Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:34:45 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: ./AgBxCNx4.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 85 47 13 3525 1482 227 Max 86 48 14 3528 1498 234 Sum 3061 1725 497 126923 53643 8289 bravais-lattice index = 14 lattice parameter (alat) = 10.8319 a.u. unit-cell volume = 1270.9107 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.831909 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 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= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 126923 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 53643 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 392, 60) NL pseudopotentials 0.48 Mb ( 196, 160) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3527) G-vector shells 0.01 Mb ( 664) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.44 Mb ( 392, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.29 Mb ( 160, 2, 60) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./AgBxCNx4.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.0 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.4 secs Computing kpt #: 17 total cpu time spent up to now is 14.1 secs Computing kpt #: 18 total cpu time spent up to now is 14.7 secs Computing kpt #: 19 total cpu time spent up to now is 15.4 secs Computing kpt #: 20 total cpu time spent up to now is 16.0 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.0 secs Computing kpt #: 24 total cpu time spent up to now is 18.6 secs Computing kpt #: 25 total cpu time spent up to now is 19.3 secs Computing kpt #: 26 total cpu time spent up to now is 19.9 secs Computing kpt #: 27 total cpu time spent up to now is 20.5 secs Computing kpt #: 28 total cpu time spent up to now is 21.1 secs Computing kpt #: 29 total cpu time spent up to now is 21.7 secs Computing kpt #: 30 total cpu time spent up to now is 22.4 secs Computing kpt #: 31 total cpu time spent up to now is 23.0 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.3 secs Computing kpt #: 34 total cpu time spent up to now is 24.9 secs Computing kpt #: 35 total cpu time spent up to now is 25.5 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.4 secs Computing kpt #: 39 total cpu time spent up to now is 28.1 secs Computing kpt #: 40 total cpu time spent up to now is 28.7 secs Computing kpt #: 41 total cpu time spent up to now is 29.3 secs Computing kpt #: 42 total cpu time spent up to now is 29.9 secs Computing kpt #: 43 total cpu time spent up to now is 30.5 secs Computing kpt #: 44 total cpu time spent up to now is 31.2 secs Computing kpt #: 45 total cpu time spent up to now is 31.8 secs Computing kpt #: 46 total cpu time spent up to now is 32.5 secs Computing kpt #: 47 total cpu time spent up to now is 33.1 secs Computing kpt #: 48 total cpu time spent up to now is 33.7 secs Computing kpt #: 49 total cpu time spent up to now is 34.3 secs Computing kpt #: 50 total cpu time spent up to now is 35.0 secs Computing kpt #: 51 total cpu time spent up to now is 35.7 secs Computing kpt #: 52 total cpu time spent up to now is 36.3 secs Computing kpt #: 53 total cpu time spent up to now is 36.9 secs Computing kpt #: 54 total cpu time spent up to now is 37.6 secs Computing kpt #: 55 total cpu time spent up to now is 38.2 secs Computing kpt #: 56 total cpu time spent up to now is 38.9 secs Computing kpt #: 57 total cpu time spent up to now is 39.5 secs Computing kpt #: 58 total cpu time spent up to now is 40.2 secs Computing kpt #: 59 total cpu time spent up to now is 40.9 secs Computing kpt #: 60 total cpu time spent up to now is 41.5 secs Computing kpt #: 61 total cpu time spent up to now is 42.2 secs Computing kpt #: 62 total cpu time spent up to now is 42.8 secs Computing kpt #: 63 total cpu time spent up to now is 43.5 secs Computing kpt #: 64 total cpu time spent up to now is 44.1 secs Computing kpt #: 65 total cpu time spent up to now is 44.7 secs Computing kpt #: 66 total cpu time spent up to now is 45.3 secs Computing kpt #: 67 total cpu time spent up to now is 46.0 secs Computing kpt #: 68 total cpu time spent up to now is 46.7 secs Computing kpt #: 69 total cpu time spent up to now is 47.3 secs Computing kpt #: 70 total cpu time spent up to now is 47.9 secs Computing kpt #: 71 total cpu time spent up to now is 48.6 secs Computing kpt #: 72 total cpu time spent up to now is 49.2 secs Computing kpt #: 73 total cpu time spent up to now is 49.9 secs Computing kpt #: 74 total cpu time spent up to now is 50.5 secs Computing kpt #: 75 total cpu time spent up to now is 51.1 secs Computing kpt #: 76 total cpu time spent up to now is 51.7 secs Computing kpt #: 77 total cpu time spent up to now is 52.4 secs Computing kpt #: 78 total cpu time spent up to now is 53.1 secs Computing kpt #: 79 total cpu time spent up to now is 53.7 secs Computing kpt #: 80 total cpu time spent up to now is 54.3 secs Computing kpt #: 81 total cpu time spent up to now is 55.0 secs Computing kpt #: 82 total cpu time spent up to now is 55.7 secs Computing kpt #: 83 total cpu time spent up to now is 56.3 secs Computing kpt #: 84 total cpu time spent up to now is 57.0 secs Computing kpt #: 85 total cpu time spent up to now is 57.7 secs Computing kpt #: 86 total cpu time spent up to now is 58.4 secs Computing kpt #: 87 total cpu time spent up to now is 59.1 secs Computing kpt #: 88 total cpu time spent up to now is 59.8 secs Computing kpt #: 89 total cpu time spent up to now is 60.5 secs Computing kpt #: 90 total cpu time spent up to now is 61.1 secs Computing kpt #: 91 total cpu time spent up to now is 61.8 secs Computing kpt #: 92 total cpu time spent up to now is 62.5 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.9 secs Computing kpt #: 95 total cpu time spent up to now is 64.6 secs Computing kpt #: 96 total cpu time spent up to now is 65.3 secs Computing kpt #: 97 total cpu time spent up to now is 66.0 secs Computing kpt #: 98 total cpu time spent up to now is 66.7 secs Computing kpt #: 99 total cpu time spent up to now is 67.4 secs Computing kpt #: 100 total cpu time spent up to now is 68.1 secs Computing kpt #: 101 total cpu time spent up to now is 68.8 secs Computing kpt #: 102 total cpu time spent up to now is 69.5 secs Computing kpt #: 103 total cpu time spent up to now is 70.2 secs Computing kpt #: 104 total cpu time spent up to now is 70.9 secs Computing kpt #: 105 total cpu time spent up to now is 71.6 secs Computing kpt #: 106 total cpu time spent up to now is 72.6 secs Computing kpt #: 107 total cpu time spent up to now is 73.3 secs Computing kpt #: 108 total cpu time spent up to now is 74.0 secs Computing kpt #: 109 total cpu time spent up to now is 74.7 secs Computing kpt #: 110 total cpu time spent up to now is 75.4 secs Computing kpt #: 111 total cpu time spent up to now is 76.1 secs Computing kpt #: 112 total cpu time spent up to now is 76.7 secs Computing kpt #: 113 total cpu time spent up to now is 77.4 secs Computing kpt #: 114 total cpu time spent up to now is 78.1 secs Computing kpt #: 115 total cpu time spent up to now is 78.7 secs Computing kpt #: 116 total cpu time spent up to now is 79.4 secs Computing kpt #: 117 total cpu time spent up to now is 80.0 secs Computing kpt #: 118 total cpu time spent up to now is 80.7 secs Computing kpt #: 119 total cpu time spent up to now is 81.3 secs Computing kpt #: 120 total cpu time spent up to now is 81.9 secs Computing kpt #: 121 total cpu time spent up to now is 82.5 secs Computing kpt #: 122 total cpu time spent up to now is 83.1 secs Computing kpt #: 123 total cpu time spent up to now is 83.8 secs Computing kpt #: 124 total cpu time spent up to now is 84.5 secs Computing kpt #: 125 total cpu time spent up to now is 85.1 secs Computing kpt #: 126 total cpu time spent up to now is 85.7 secs Computing kpt #: 127 total cpu time spent up to now is 86.3 secs Computing kpt #: 128 total cpu time spent up to now is 86.9 secs Computing kpt #: 129 total cpu time spent up to now is 87.5 secs Computing kpt #: 130 total cpu time spent up to now is 88.1 secs Computing kpt #: 131 total cpu time spent up to now is 88.8 secs Computing kpt #: 132 total cpu time spent up to now is 89.4 secs Computing kpt #: 133 total cpu time spent up to now is 90.0 secs Computing kpt #: 134 total cpu time spent up to now is 90.7 secs Computing kpt #: 135 total cpu time spent up to now is 91.3 secs Computing kpt #: 136 total cpu time spent up to now is 91.9 secs Computing kpt #: 137 total cpu time spent up to now is 92.5 secs Computing kpt #: 138 total cpu time spent up to now is 93.1 secs Computing kpt #: 139 total cpu time spent up to now is 93.7 secs Computing kpt #: 140 total cpu time spent up to now is 94.3 secs Computing kpt #: 141 total cpu time spent up to now is 94.9 secs Computing kpt #: 142 total cpu time spent up to now is 95.5 secs Computing kpt #: 143 total cpu time spent up to now is 96.1 secs Computing kpt #: 144 total cpu time spent up to now is 96.7 secs Computing kpt #: 145 total cpu time spent up to now is 97.3 secs Computing kpt #: 146 total cpu time spent up to now is 97.9 secs Computing kpt #: 147 total cpu time spent up to now is 98.5 secs Computing kpt #: 148 total cpu time spent up to now is 99.1 secs Computing kpt #: 149 total cpu time spent up to now is 99.7 secs Computing kpt #: 150 total cpu time spent up to now is 100.3 secs Computing kpt #: 151 total cpu time spent up to now is 100.9 secs Computing kpt #: 152 total cpu time spent up to now is 101.5 secs Computing kpt #: 153 total cpu time spent up to now is 102.1 secs Computing kpt #: 154 total cpu time spent up to now is 102.7 secs Computing kpt #: 155 total cpu time spent up to now is 103.3 secs Computing kpt #: 156 total cpu time spent up to now is 103.9 secs Computing kpt #: 157 total cpu time spent up to now is 104.5 secs Computing kpt #: 158 total cpu time spent up to now is 105.1 secs Computing kpt #: 159 total cpu time spent up to now is 105.7 secs Computing kpt #: 160 total cpu time spent up to now is 106.3 secs Computing kpt #: 161 total cpu time spent up to now is 106.9 secs Computing kpt #: 162 total cpu time spent up to now is 107.6 secs Computing kpt #: 163 total cpu time spent up to now is 108.3 secs Computing kpt #: 164 total cpu time spent up to now is 108.9 secs Computing kpt #: 165 total cpu time spent up to now is 109.5 secs Computing kpt #: 166 total cpu time spent up to now is 110.1 secs Computing kpt #: 167 total cpu time spent up to now is 110.7 secs Computing kpt #: 168 total cpu time spent up to now is 111.4 secs Computing kpt #: 169 total cpu time spent up to now is 112.0 secs Computing kpt #: 170 total cpu time spent up to now is 112.6 secs Computing kpt #: 171 total cpu time spent up to now is 113.2 secs Computing kpt #: 172 total cpu time spent up to now is 113.9 secs Computing kpt #: 173 total cpu time spent up to now is 114.5 secs Computing kpt #: 174 total cpu time spent up to now is 115.1 secs Computing kpt #: 175 total cpu time spent up to now is 115.7 secs Computing kpt #: 176 total cpu time spent up to now is 116.4 secs Computing kpt #: 177 total cpu time spent up to now is 117.0 secs Computing kpt #: 178 total cpu time spent up to now is 117.6 secs Computing kpt #: 179 total cpu time spent up to now is 118.3 secs Computing kpt #: 180 total cpu time spent up to now is 118.9 secs Computing kpt #: 181 total cpu time spent up to now is 119.5 secs Computing kpt #: 182 total cpu time spent up to now is 120.2 secs Computing kpt #: 183 total cpu time spent up to now is 120.8 secs Computing kpt #: 184 total cpu time spent up to now is 121.4 secs Computing kpt #: 185 total cpu time spent up to now is 122.1 secs Computing kpt #: 186 total cpu time spent up to now is 122.7 secs Computing kpt #: 187 total cpu time spent up to now is 123.3 secs Computing kpt #: 188 total cpu time spent up to now is 123.9 secs Computing kpt #: 189 total cpu time spent up to now is 124.6 secs Computing kpt #: 190 total cpu time spent up to now is 125.2 secs Computing kpt #: 191 total cpu time spent up to now is 125.9 secs Computing kpt #: 192 total cpu time spent up to now is 126.5 secs Computing kpt #: 193 total cpu time spent up to now is 127.1 secs Computing kpt #: 194 total cpu time spent up to now is 127.8 secs Computing kpt #: 195 total cpu time spent up to now is 128.4 secs Computing kpt #: 196 total cpu time spent up to now is 129.0 secs Computing kpt #: 197 total cpu time spent up to now is 129.7 secs Computing kpt #: 198 total cpu time spent up to now is 130.3 secs Computing kpt #: 199 total cpu time spent up to now is 130.9 secs Computing kpt #: 200 total cpu time spent up to now is 131.5 secs Computing kpt #: 201 total cpu time spent up to now is 132.1 secs Computing kpt #: 202 total cpu time spent up to now is 132.7 secs Computing kpt #: 203 total cpu time spent up to now is 133.3 secs Computing kpt #: 204 total cpu time spent up to now is 133.9 secs Computing kpt #: 205 total cpu time spent up to now is 134.5 secs Computing kpt #: 206 total cpu time spent up to now is 135.1 secs Computing kpt #: 207 total cpu time spent up to now is 135.7 secs Computing kpt #: 208 total cpu time spent up to now is 136.3 secs Computing kpt #: 209 total cpu time spent up to now is 136.9 secs Computing kpt #: 210 total cpu time spent up to now is 137.5 secs Computing kpt #: 211 total cpu time spent up to now is 138.1 secs Computing kpt #: 212 total cpu time spent up to now is 138.7 secs Computing kpt #: 213 total cpu time spent up to now is 139.3 secs Computing kpt #: 214 total cpu time spent up to now is 139.9 secs Computing kpt #: 215 total cpu time spent up to now is 140.5 secs Computing kpt #: 216 total cpu time spent up to now is 141.1 secs ethr = 2.00E-08, avg # of iterations = 13.6 total cpu time spent up to now is 141.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -17.5930 -17.5930 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9803 -6.9803 -6.9785 -6.9785 -6.9785 -6.9785 -5.2851 -5.2851 -4.7019 -4.7019 -4.7019 -4.7019 -4.6799 -4.6799 -3.9657 -3.9657 -3.9657 -3.9657 -3.0339 -3.0339 -3.0266 -3.0266 -3.0266 -3.0266 -2.8831 -2.8831 -2.8709 -2.8709 -2.8709 -2.8709 -1.2368 -1.2368 -1.2368 -1.2368 -0.4172 -0.4172 -0.4172 -0.4172 -0.2302 -0.2302 4.2671 4.2671 4.2671 4.2671 4.2720 4.2720 4.8132 4.8132 4.8132 4.8132 k = 0.0000 0.0179-0.0000 ( 6679 PWs) bands (ev): -17.5929 -17.5929 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9804 -6.9804 -6.9787 -6.9787 -6.9785 -6.9785 -5.2846 -5.2846 -4.7024 -4.7024 -4.7017 -4.7017 -4.6800 -4.6800 -3.9656 -3.9656 -3.9646 -3.9646 -3.0343 -3.0343 -3.0272 -3.0272 -3.0267 -3.0267 -2.8836 -2.8836 -2.8715 -2.8715 -2.8712 -2.8712 -1.2374 -1.2374 -1.2356 -1.2356 -0.4175 -0.4175 -0.4160 -0.4160 -0.2298 -0.2298 4.2670 4.2670 4.2675 4.2675 4.2721 4.2721 4.8129 4.8129 4.8135 4.8135 k = 0.0000 0.0357-0.0000 ( 6691 PWs) bands (ev): -17.5927 -17.5927 -17.4019 -17.4019 -17.4012 -17.4012 -17.4010 -17.4010 -11.2196 -11.2196 -6.9809 -6.9809 -6.9791 -6.9791 -6.9786 -6.9786 -5.2831 -5.2831 -4.7036 -4.7036 -4.7013 -4.7013 -4.6804 -4.6804 -3.9642 -3.9642 -3.9620 -3.9620 -3.0358 -3.0358 -3.0288 -3.0288 -3.0270 -3.0270 -2.8850 -2.8850 -2.8731 -2.8731 -2.8720 -2.8720 -1.2373 -1.2373 -1.2337 -1.2337 -0.4170 -0.4170 -0.4141 -0.4141 -0.2285 -0.2285 4.2671 4.2671 4.2680 4.2680 4.2723 4.2723 4.8119 4.8119 4.8141 4.8141 k = 0.0000 0.0536-0.0000 ( 6695 PWs) bands (ev): -17.5922 -17.5922 -17.4023 -17.4023 -17.4013 -17.4013 -17.4010 -17.4010 -11.2195 -11.2195 -6.9818 -6.9818 -6.9796 -6.9796 -6.9788 -6.9788 -5.2807 -5.2807 -4.7057 -4.7057 -4.7007 -4.7007 -4.6808 -4.6808 -3.9617 -3.9617 -3.9579 -3.9579 -3.0392 -3.0392 -3.0304 -3.0304 -3.0274 -3.0274 -2.8876 -2.8876 -2.8756 -2.8756 -2.8734 -2.8734 -1.2366 -1.2366 -1.2311 -1.2311 -0.4157 -0.4157 -0.4112 -0.4112 -0.2263 -0.2263 4.2674 4.2674 4.2688 4.2688 4.2728 4.2728 4.8103 4.8103 4.8152 4.8152 k = 0.0000 0.0714-0.0000 ( 6691 PWs) bands (ev): -17.5916 -17.5916 -17.4028 -17.4028 -17.4014 -17.4014 -17.4010 -17.4010 -11.2194 -11.2194 -6.9833 -6.9833 -6.9801 -6.9801 -6.9791 -6.9791 -5.2774 -5.2774 -4.7088 -4.7088 -4.6999 -4.6999 -4.6810 -4.6810 -3.9581 -3.9581 -3.9523 -3.9523 -3.0449 -3.0449 -3.0317 -3.0317 -3.0280 -3.0280 -2.8914 -2.8914 -2.8788 -2.8788 -2.8753 -2.8753 -1.2355 -1.2355 -1.2278 -1.2278 -0.4137 -0.4137 -0.4075 -0.4075 -0.2233 -0.2233 4.2680 4.2680 4.2698 4.2698 4.2735 4.2735 4.8081 4.8081 4.8166 4.8166 k = 0.0000 0.0893-0.0000 ( 6699 PWs) bands (ev): -17.5908 -17.5908 -17.4036 -17.4036 -17.4014 -17.4014 -17.4010 -17.4010 -11.2193 -11.2193 -6.9854 -6.9854 -6.9805 -6.9805 -6.9794 -6.9794 -5.2732 -5.2732 -4.7130 -4.7130 -4.6989 -4.6989 -4.6809 -4.6809 -3.9535 -3.9535 -3.9452 -3.9452 -3.0527 -3.0527 -3.0328 -3.0328 -3.0288 -3.0288 -2.8968 -2.8968 -2.8823 -2.8823 -2.8777 -2.8777 -1.2338 -1.2338 -1.2238 -1.2238 -0.4109 -0.4109 -0.4030 -0.4030 -0.2195 -0.2195 4.2688 4.2688 4.2710 4.2710 4.2744 4.2744 4.8052 4.8052 4.8185 4.8185 k = 0.0000 0.1071-0.0000 ( 6711 PWs) bands (ev): -17.5898 -17.5898 -17.4046 -17.4046 -17.4014 -17.4014 -17.4009 -17.4009 -11.2191 -11.2191 -6.9880 -6.9880 -6.9809 -6.9809 -6.9798 -6.9798 -5.2681 -5.2681 -4.7184 -4.7184 -4.6978 -4.6978 -4.6805 -4.6805 -3.9479 -3.9479 -3.9367 -3.9367 -3.0623 -3.0623 -3.0338 -3.0338 -3.0297 -3.0297 -2.9037 -2.9037 -2.8861 -2.8861 -2.8805 -2.8805 -1.2317 -1.2317 -1.2193 -1.2193 -0.4076 -0.4076 -0.3978 -0.3978 -0.2150 -0.2150 4.2698 4.2698 4.2724 4.2724 4.2758 4.2758 4.8016 4.8016 4.8208 4.8208 k = 0.0000 0.1250-0.0000 ( 6703 PWs) bands (ev): -17.5887 -17.5887 -17.4057 -17.4057 -17.4014 -17.4014 -17.4009 -17.4009 -11.2189 -11.2189 -6.9910 -6.9910 -6.9814 -6.9814 -6.9802 -6.9802 -5.2621 -5.2621 -4.7249 -4.7249 -4.6964 -4.6964 -4.6798 -4.6798 -3.9413 -3.9413 -3.9270 -3.9270 -3.0736 -3.0736 -3.0349 -3.0349 -3.0307 -3.0307 -2.9122 -2.9122 -2.8901 -2.8901 -2.8838 -2.8838 -1.2292 -1.2292 -1.2141 -1.2141 -0.4037 -0.4037 -0.3918 -0.3918 -0.2097 -0.2097 4.2711 4.2711 4.2739 4.2739 4.2778 4.2778 4.7973 4.7973 4.8234 4.8234 k = 0.0000 0.1429-0.0000 ( 6711 PWs) bands (ev): -17.5874 -17.5874 -17.4070 -17.4070 -17.4014 -17.4014 -17.4009 -17.4009 -11.2187 -11.2187 -6.9943 -6.9943 -6.9819 -6.9819 -6.9807 -6.9807 -5.2555 -5.2555 -4.7323 -4.7323 -4.6948 -4.6948 -4.6787 -4.6787 -3.9337 -3.9337 -3.9159 -3.9159 -3.0864 -3.0864 -3.0360 -3.0360 -3.0319 -3.0319 -2.9221 -2.9221 -2.8944 -2.8944 -2.8875 -2.8875 -1.2263 -1.2263 -1.2084 -1.2084 -0.3994 -0.3994 -0.3851 -0.3851 -0.2038 -0.2038 4.2726 4.2726 4.2753 4.2753 4.2806 4.2806 4.7923 4.7923 4.8263 4.8263 k = 0.0000 0.1607-0.0000 ( 6711 PWs) bands (ev): -17.5860 -17.5860 -17.4085 -17.4085 -17.4014 -17.4014 -17.4009 -17.4009 -11.2184 -11.2184 -6.9979 -6.9979 -6.9825 -6.9825 -6.9813 -6.9813 -5.2481 -5.2481 -4.7406 -4.7406 -4.6931 -4.6931 -4.6774 -4.6774 -3.9252 -3.9252 -3.9038 -3.9038 -3.1006 -3.1006 -3.0372 -3.0372 -3.0332 -3.0332 -2.9332 -2.9332 -2.8989 -2.8989 -2.8915 -2.8915 -1.2231 -1.2231 -1.2022 -1.2022 -0.3946 -0.3946 -0.3779 -0.3779 -0.1973 -0.1973 4.2742 4.2742 4.2768 4.2768 4.2843 4.2843 4.7865 4.7865 4.8295 4.8295 k = 0.0000 0.1786-0.0000 ( 6735 PWs) bands (ev): -17.5845 -17.5845 -17.4100 -17.4100 -17.4014 -17.4014 -17.4009 -17.4009 -11.2181 -11.2181 -7.0017 -7.0017 -6.9831 -6.9831 -6.9819 -6.9819 -5.2400 -5.2400 -4.7496 -4.7496 -4.6913 -4.6913 -4.6759 -4.6759 -3.9157 -3.9157 -3.8906 -3.8906 -3.1161 -3.1161 -3.0385 -3.0385 -3.0346 -3.0346 -2.9455 -2.9455 -2.9036 -2.9036 -2.8958 -2.8958 -1.2198 -1.2198 -1.1958 -1.1958 -0.3895 -0.3895 -0.3702 -0.3702 -0.1903 -0.1903 4.2758 4.2758 4.2782 4.2782 4.2890 4.2890 4.7799 4.7799 4.8330 4.8330 k = 0.0000 0.1964-0.0000 ( 6719 PWs) bands (ev): -17.5828 -17.5828 -17.4117 -17.4117 -17.4014 -17.4014 -17.4009 -17.4009 -11.2179 -11.2179 -7.0058 -7.0058 -6.9837 -6.9837 -6.9825 -6.9825 -5.2314 -5.2314 -4.7592 -4.7592 -4.6894 -4.6894 -4.6742 -4.6742 -3.9054 -3.9054 -3.8765 -3.8765 -3.1328 -3.1328 -3.0398 -3.0398 -3.0360 -3.0360 -2.9589 -2.9589 -2.9084 -2.9084 -2.9004 -2.9004 -1.2162 -1.2162 -1.1890 -1.1890 -0.3841 -0.3841 -0.3620 -0.3620 -0.1829 -0.1829 4.2776 4.2776 4.2798 4.2798 4.2946 4.2946 4.7725 4.7725 4.8367 4.8367 k = 0.0000 0.2143-0.0000 ( 6719 PWs) bands (ev): -17.5810 -17.5810 -17.4135 -17.4135 -17.4013 -17.4013 -17.4008 -17.4008 -11.2175 -11.2175 -7.0100 -7.0100 -6.9843 -6.9843 -6.9831 -6.9831 -5.2223 -5.2223 -4.7693 -4.7693 -4.6874 -4.6874 -4.6724 -4.6724 -3.8942 -3.8942 -3.8616 -3.8616 -3.1506 -3.1506 -3.0411 -3.0411 -3.0376 -3.0376 -2.9731 -2.9731 -2.9135 -2.9135 -2.9051 -2.9051 -1.2124 -1.2124 -1.1820 -1.1820 -0.3786 -0.3786 -0.3536 -0.3536 -0.1751 -0.1751 4.2795 4.2795 4.2814 4.2814 4.3012 4.3012 4.7643 4.7643 4.8405 4.8405 k = 0.0000 0.2321-0.0000 ( 6723 PWs) bands (ev): -17.5792 -17.5792 -17.4154 -17.4154 -17.4013 -17.4013 -17.4008 -17.4008 -11.2172 -11.2172 -7.0142 -7.0142 -6.9850 -6.9850 -6.9838 -6.9838 -5.2127 -5.2127 -4.7798 -4.7798 -4.6853 -4.6853 -4.6706 -4.6706 -3.8822 -3.8822 -3.8460 -3.8460 -3.1692 -3.1692 -3.0424 -3.0424 -3.0392 -3.0392 -2.9880 -2.9880 -2.9186 -2.9186 -2.9101 -2.9101 -1.2086 -1.2086 -1.1750 -1.1750 -0.3729 -0.3729 -0.3449 -0.3449 -0.1670 -0.1670 4.2813 4.2813 4.2830 4.2830 4.3089 4.3089 4.7552 4.7552 4.8445 4.8445 k = 0.0000 0.2500-0.0000 ( 6719 PWs) bands (ev): -17.5773 -17.5773 -17.4174 -17.4174 -17.4013 -17.4013 -17.4008 -17.4008 -11.2169 -11.2169 -7.0185 -7.0185 -6.9857 -6.9857 -6.9845 -6.9845 -5.2028 -5.2028 -4.7906 -4.7906 -4.6832 -4.6832 -4.6686 -4.6686 -3.8694 -3.8694 -3.8298 -3.8298 -3.1887 -3.1887 -3.0437 -3.0437 -3.0411 -3.0411 -3.0034 -3.0034 -2.9238 -2.9238 -2.9151 -2.9151 -1.2047 -1.2047 -1.1679 -1.1679 -0.3673 -0.3673 -0.3361 -0.3361 -0.1588 -0.1588 4.2832 4.2832 4.2847 4.2847 4.3176 4.3176 4.7453 4.7453 4.8486 4.8486 k = 0.0000 0.2679-0.0000 ( 6703 PWs) bands (ev): -17.5753 -17.5753 -17.4194 -17.4194 -17.4013 -17.4013 -17.4008 -17.4008 -11.2166 -11.2166 -7.0228 -7.0228 -6.9863 -6.9863 -6.9851 -6.9851 -5.1925 -5.1925 -4.8016 -4.8016 -4.6811 -4.6811 -4.6667 -4.6667 -3.8559 -3.8559 -3.8132 -3.8132 -3.2087 -3.2087 -3.0449 -3.0449 -3.0436 -3.0436 -3.0187 -3.0187 -2.9289 -2.9289 -2.9201 -2.9201 -1.2008 -1.2008 -1.1609 -1.1609 -0.3617 -0.3617 -0.3273 -0.3273 -0.1506 -0.1506 4.2850 4.2850 4.2864 4.2864 4.3274 4.3274 4.7346 4.7346 4.8528 4.8528 k = 0.0000 0.2857-0.0000 ( 6711 PWs) bands (ev): -17.5733 -17.5733 -17.4214 -17.4214 -17.4012 -17.4012 -17.4007 -17.4007 -11.2163 -11.2163 -7.0270 -7.0270 -6.9870 -6.9870 -6.9858 -6.9858 -5.1821 -5.1821 -4.8127 -4.8127 -4.6791 -4.6791 -4.6647 -4.6647 -3.8419 -3.8419 -3.7963 -3.7963 -3.2292 -3.2292 -3.0486 -3.0486 -3.0461 -3.0461 -3.0319 -3.0319 -2.9340 -2.9340 -2.9251 -2.9251 -1.1970 -1.1970 -1.1541 -1.1541 -0.3562 -0.3562 -0.3186 -0.3186 -0.1425 -0.1425 4.2868 4.2868 4.2881 4.2881 4.3381 4.3381 4.7230 4.7230 4.8568 4.8568 k = 0.0000 0.3036-0.0000 ( 6699 PWs) bands (ev): -17.5713 -17.5713 -17.4234 -17.4234 -17.4012 -17.4012 -17.4007 -17.4007 -11.2160 -11.2160 -7.0310 -7.0310 -6.9876 -6.9876 -6.9864 -6.9864 -5.1716 -5.1716 -4.8239 -4.8239 -4.6770 -4.6770 -4.6628 -4.6628 -3.8273 -3.8273 -3.7792 -3.7792 -3.2500 -3.2500 -3.0597 -3.0597 -3.0472 -3.0472 -3.0390 -3.0390 -2.9390 -2.9390 -2.9300 -2.9300 -1.1932 -1.1932 -1.1475 -1.1475 -0.3510 -0.3510 -0.3102 -0.3102 -0.1344 -0.1344 4.2885 4.2885 4.2899 4.2899 4.3499 4.3499 4.7105 4.7105 4.8609 4.8609 k = 0.0000 0.3214-0.0000 ( 6688 PWs) bands (ev): -17.5693 -17.5693 -17.4254 -17.4254 -17.4012 -17.4012 -17.4007 -17.4007 -11.2157 -11.2157 -7.0349 -7.0349 -6.9882 -6.9882 -6.9871 -6.9871 -5.1611 -5.1611 -4.8350 -4.8350 -4.6751 -4.6751 -4.6609 -4.6609 -3.8122 -3.8122 -3.7622 -3.7622 -3.2710 -3.2710 -3.0750 -3.0750 -3.0482 -3.0482 -3.0420 -3.0420 -2.9437 -2.9437 -2.9348 -2.9348 -1.1896 -1.1896 -1.1412 -1.1412 -0.3459 -0.3459 -0.3020 -0.3020 -0.1267 -0.1267 4.2901 4.2901 4.2916 4.2916 4.3627 4.3627 4.6972 4.6972 4.8648 4.8648 k = 0.0000 0.3393-0.0000 ( 6688 PWs) bands (ev): -17.5674 -17.5674 -17.4274 -17.4274 -17.4012 -17.4012 -17.4007 -17.4007 -11.2154 -11.2154 -7.0385 -7.0385 -6.9888 -6.9888 -6.9876 -6.9876 -5.1506 -5.1506 -4.8459 -4.8459 -4.6732 -4.6732 -4.6592 -4.6592 -3.7969 -3.7969 -3.7454 -3.7454 -3.2918 -3.2918 -3.0913 -3.0913 -3.0491 -3.0491 -3.0438 -3.0438 -2.9482 -2.9482 -2.9393 -2.9393 -1.1862 -1.1862 -1.1353 -1.1353 -0.3412 -0.3412 -0.2943 -0.2943 -0.1194 -0.1194 4.2916 4.2916 4.2933 4.2933 4.3764 4.3764 4.6832 4.6832 4.8685 4.8685 k = 0.0000 0.3571-0.0000 ( 6688 PWs) bands (ev): -17.5655 -17.5655 -17.4293 -17.4293 -17.4011 -17.4011 -17.4007 -17.4007 -11.2152 -11.2152 -7.0419 -7.0419 -6.9894 -6.9894 -6.9882 -6.9882 -5.1404 -5.1404 -4.8565 -4.8565 -4.6715 -4.6715 -4.6575 -4.6575 -3.7815 -3.7815 -3.7291 -3.7291 -3.3124 -3.3124 -3.1076 -3.1076 -3.0499 -3.0499 -3.0451 -3.0451 -2.9524 -2.9524 -2.9436 -2.9436 -1.1831 -1.1831 -1.1299 -1.1299 -0.3369 -0.3369 -0.2871 -0.2871 -0.1125 -0.1125 4.2929 4.2929 4.2949 4.2949 4.3910 4.3910 4.6684 4.6684 4.8720 4.8720 k = 0.0000 0.3750-0.0000 ( 6684 PWs) bands (ev): -17.5638 -17.5638 -17.4310 -17.4310 -17.4011 -17.4011 -17.4006 -17.4006 -11.2149 -11.2149 -7.0450 -7.0450 -6.9899 -6.9899 -6.9887 -6.9887 -5.1305 -5.1305 -4.8668 -4.8668 -4.6699 -4.6699 -4.6560 -4.6560 -3.7662 -3.7662 -3.7135 -3.7135 -3.3324 -3.3324 -3.1233 -3.1233 -3.0506 -3.0506 -3.0461 -3.0461 -2.9563 -2.9563 -2.9476 -2.9476 -1.1802 -1.1802 -1.1249 -1.1249 -0.3329 -0.3329 -0.2805 -0.2805 -0.1062 -0.1062 4.2942 4.2942 4.2963 4.2963 4.4063 4.4063 4.6529 4.6529 4.8753 4.8753 k = 0.0000 0.3929-0.0000 ( 6676 PWs) bands (ev): -17.5622 -17.5622 -17.4326 -17.4326 -17.4011 -17.4011 -17.4006 -17.4006 -11.2147 -11.2147 -7.0477 -7.0477 -6.9903 -6.9903 -6.9891 -6.9891 -5.1211 -5.1211 -4.8764 -4.8764 -4.6685 -4.6685 -4.6547 -4.6547 -3.7512 -3.7512 -3.6989 -3.6989 -3.3514 -3.3514 -3.1381 -3.1381 -3.0512 -3.0512 -3.0470 -3.0470 -2.9597 -2.9597 -2.9512 -2.9512 -1.1776 -1.1776 -1.1206 -1.1206 -0.3294 -0.3294 -0.2746 -0.2746 -0.1005 -0.1005 4.2953 4.2953 4.2976 4.2976 4.4223 4.4223 4.6368 4.6368 4.8782 4.8782 k = 0.0000 0.4107-0.0000 ( 6688 PWs) bands (ev): -17.5608 -17.5608 -17.4341 -17.4341 -17.4011 -17.4011 -17.4006 -17.4006 -11.2146 -11.2146 -7.0501 -7.0501 -6.9907 -6.9907 -6.9895 -6.9895 -5.1125 -5.1125 -4.8853 -4.8853 -4.6673 -4.6673 -4.6535 -4.6535 -3.7370 -3.7370 -3.6856 -3.6856 -3.3691 -3.3691 -3.1516 -3.1516 -3.0516 -3.0516 -3.0477 -3.0477 -2.9627 -2.9627 -2.9544 -2.9544 -1.1754 -1.1754 -1.1168 -1.1168 -0.3264 -0.3264 -0.2695 -0.2695 -0.0956 -0.0956 4.2963 4.2963 4.2988 4.2988 4.4389 4.4389 4.6202 4.6202 4.8807 4.8807 k = 0.0000 0.4286-0.0000 ( 6680 PWs) bands (ev): -17.5596 -17.5596 -17.4353 -17.4353 -17.4011 -17.4011 -17.4006 -17.4006 -11.2144 -11.2144 -7.0521 -7.0521 -6.9910 -6.9910 -6.9898 -6.9898 -5.1049 -5.1049 -4.8931 -4.8931 -4.6662 -4.6662 -4.6525 -4.6525 -3.7241 -3.7241 -3.6741 -3.6741 -3.3850 -3.3850 -3.1634 -3.1634 -3.0520 -3.0520 -3.0482 -3.0482 -2.9652 -2.9652 -2.9570 -2.9570 -1.1736 -1.1736 -1.1136 -1.1136 -0.3239 -0.3239 -0.2652 -0.2652 -0.0915 -0.0915 4.2971 4.2971 4.2998 4.2998 4.4559 4.4559 4.6031 4.6031 4.8828 4.8828 k = 0.0000 0.4464-0.0000 ( 6684 PWs) bands (ev): -17.5586 -17.5586 -17.4363 -17.4363 -17.4011 -17.4011 -17.4006 -17.4006 -11.2143 -11.2143 -7.0536 -7.0536 -6.9913 -6.9913 -6.9901 -6.9901 -5.0985 -5.0985 -4.8996 -4.8996 -4.6654 -4.6654 -4.6517 -4.6517 -3.7129 -3.7129 -3.6646 -3.6646 -3.3984 -3.3984 -3.1731 -3.1731 -3.0522 -3.0522 -3.0487 -3.0487 -2.9672 -2.9672 -2.9592 -2.9592 -1.1721 -1.1721 -1.1111 -1.1111 -0.3219 -0.3219 -0.2619 -0.2619 -0.0882 -0.0882 4.2977 4.2977 4.3005 4.3005 4.4733 4.4733 4.5858 4.5858 4.8845 4.8845 k = 0.0000 0.4643-0.0000 ( 6696 PWs) bands (ev): -17.5579 -17.5579 -17.4370 -17.4370 -17.4011 -17.4011 -17.4006 -17.4006 -11.2142 -11.2142 -7.0548 -7.0548 -6.9914 -6.9914 -6.9903 -6.9903 -5.0936 -5.0936 -4.9046 -4.9046 -4.6649 -4.6649 -4.6512 -4.6512 -3.7042 -3.7042 -3.6576 -3.6576 -3.4087 -3.4087 -3.1804 -3.1804 -3.0524 -3.0524 -3.0490 -3.0490 -2.9686 -2.9686 -2.9607 -2.9607 -1.1711 -1.1711 -1.1094 -1.1094 -0.3205 -0.3205 -0.2594 -0.2594 -0.0859 -0.0859 4.2982 4.2982 4.3011 4.3011 4.4906 4.4906 4.5685 4.5685 4.8857 4.8857 k = 0.0000 0.4821-0.0000 ( 6696 PWs) bands (ev): -17.5575 -17.5575 -17.4374 -17.4374 -17.4010 -17.4010 -17.4006 -17.4006 -11.2141 -11.2141 -7.0554 -7.0554 -6.9916 -6.9916 -6.9904 -6.9904 -5.0906 -5.0906 -4.9077 -4.9077 -4.6645 -4.6645 -4.6508 -4.6508 -3.6986 -3.6986 -3.6532 -3.6532 -3.4153 -3.4153 -3.1849 -3.1849 -3.0525 -3.0525 -3.0492 -3.0492 -2.9695 -2.9695 -2.9617 -2.9617 -1.1705 -1.1705 -1.1083 -1.1083 -0.3196 -0.3196 -0.2580 -0.2580 -0.0845 -0.0845 4.2985 4.2985 4.3014 4.3014 4.5068 4.5068 4.5523 4.5523 4.8864 4.8864 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -17.5574 -17.5574 -17.4376 -17.4376 -17.4010 -17.4010 -17.4006 -17.4006 -11.2141 -11.2141 -7.0557 -7.0557 -6.9916 -6.9916 -6.9904 -6.9904 -5.0895 -5.0895 -4.9088 -4.9088 -4.6644 -4.6644 -4.6507 -4.6507 -3.6966 -3.6966 -3.6518 -3.6518 -3.4175 -3.4175 -3.1864 -3.1864 -3.0525 -3.0525 -3.0492 -3.0492 -2.9698 -2.9698 -2.9620 -2.9620 -1.1703 -1.1703 -1.1079 -1.1079 -0.3194 -0.3194 -0.2575 -0.2575 -0.0840 -0.0840 4.2985 4.2985 4.3015 4.3015 4.5161 4.5161 4.5430 4.5430 4.8867 4.8867 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -17.5574 -17.5574 -17.4376 -17.4376 -17.4010 -17.4010 -17.4006 -17.4006 -11.2141 -11.2141 -7.0557 -7.0557 -6.9916 -6.9916 -6.9904 -6.9904 -5.0895 -5.0895 -4.9088 -4.9088 -4.6644 -4.6644 -4.6507 -4.6507 -3.6966 -3.6966 -3.6518 -3.6518 -3.4175 -3.4175 -3.1864 -3.1864 -3.0525 -3.0525 -3.0492 -3.0492 -2.9698 -2.9698 -2.9620 -2.9620 -1.1703 -1.1703 -1.1079 -1.1079 -0.3194 -0.3194 -0.2575 -0.2575 -0.0840 -0.0840 4.2985 4.2985 4.3015 4.3015 4.5161 4.5161 4.5430 4.5430 4.8867 4.8867 k = 0.0179 0.5000-0.0000 ( 6696 PWs) bands (ev): -17.5573 -17.5573 -17.4376 -17.4376 -17.4011 -17.4011 -17.4006 -17.4006 -11.2142 -11.2141 -7.0558 -7.0558 -6.9917 -6.9916 -6.9905 -6.9905 -5.0891 -5.0888 -4.9093 -4.9082 -4.6649 -4.6643 -4.6515 -4.6504 -3.6963 -3.6962 -3.6515 -3.6513 -3.4172 -3.4172 -3.1890 -3.1843 -3.0529 -3.0525 -3.0503 -3.0480 -2.9701 -2.9700 -2.9626 -2.9620 -1.1721 -1.1682 -1.1081 -1.1079 -0.3199 -0.3183 -0.2588 -0.2563 -0.0846 -0.0834 4.2983 4.2992 4.3012 4.3024 4.5172 4.5176 4.5430 4.5431 4.8864 4.8865 k = 0.0357 0.5000-0.0000 ( 6688 PWs) bands (ev): -17.5572 -17.5571 -17.4375 -17.4375 -17.4013 -17.4012 -17.4007 -17.4007 -11.2142 -11.2141 -7.0562 -7.0561 -6.9920 -6.9918 -6.9908 -6.9907 -5.0877 -5.0871 -4.9097 -4.9076 -4.6659 -4.6647 -4.6528 -4.6506 -3.6952 -3.6950 -3.6504 -3.6500 -3.4164 -3.4164 -3.1923 -3.1830 -3.0534 -3.0533 -3.0508 -3.0470 -2.9712 -2.9709 -2.9636 -2.9627 -1.1736 -1.1659 -1.1085 -1.1081 -0.3200 -0.3167 -0.2603 -0.2555 -0.0852 -0.0829 4.2983 4.2999 4.3016 4.3041 4.5206 4.5215 4.5432 4.5434 4.8856 4.8858 k = 0.0536 0.5000-0.0000 ( 6684 PWs) bands (ev): -17.5569 -17.5568 -17.4373 -17.4373 -17.4015 -17.4014 -17.4009 -17.4009 -11.2143 -11.2142 -7.0567 -7.0566 -6.9924 -6.9921 -6.9911 -6.9910 -5.0852 -5.0844 -4.9100 -4.9069 -4.6673 -4.6655 -4.6546 -4.6514 -3.6933 -3.6931 -3.6485 -3.6478 -3.4151 -3.4150 -3.1960 -3.1823 -3.0548 -3.0541 -3.0508 -3.0462 -2.9733 -2.9724 -2.9649 -2.9638 -1.1749 -1.1634 -1.1091 -1.1085 -0.3195 -0.3146 -0.2619 -0.2548 -0.0858 -0.0825 4.2985 4.3005 4.3029 4.3070 4.5264 4.5276 4.5436 4.5439 4.8843 4.8845 k = 0.0714 0.5000-0.0000 ( 6688 PWs) bands (ev): -17.5565 -17.5564 -17.4371 -17.4371 -17.4019 -17.4017 -17.4012 -17.4011 -11.2144 -11.2142 -7.0575 -7.0574 -6.9929 -6.9925 -6.9916 -6.9914 -5.0818 -5.0807 -4.9103 -4.9062 -4.6692 -4.6669 -4.6568 -4.6525 -3.6909 -3.6907 -3.6456 -3.6446 -3.4132 -3.4131 -3.2003 -3.1824 -3.0565 -3.0550 -3.0508 -3.0458 -2.9763 -2.9746 -2.9664 -2.9653 -1.1759 -1.1608 -1.1098 -1.1092 -0.3187 -0.3120 -0.2636 -0.2545 -0.0864 -0.0821 4.2988 4.3012 4.3053 4.3108 4.5342 4.5358 4.5441 4.5446 4.8824 4.8827 k = 0.0893 0.5000-0.0000 ( 6692 PWs) bands (ev): -17.5561 -17.5559 -17.4368 -17.4368 -17.4024 -17.4021 -17.4014 -17.4014 -11.2145 -11.2143 -7.0585 -7.0584 -6.9935 -6.9931 -6.9922 -6.9920 -5.0773 -5.0760 -4.9105 -4.9055 -4.6716 -4.6687 -4.6594 -4.6542 -3.6882 -3.6880 -3.6417 -3.6404 -3.4109 -3.4107 -3.2050 -3.1831 -3.0584 -3.0561 -3.0510 -3.0457 -2.9802 -2.9775 -2.9678 -2.9670 -1.1767 -1.1579 -1.1106 -1.1100 -0.3175 -0.3091 -0.2653 -0.2545 -0.0869 -0.0817 4.2994 4.3023 4.3088 4.3156 4.5434 4.5445 4.5455 4.5467 4.8800 4.8804 k = 0.1071 0.5000-0.0000 ( 6692 PWs) bands (ev): -17.5555 -17.5553 -17.4365 -17.4365 -17.4029 -17.4026 -17.4017 -17.4017 -11.2146 -11.2144 -7.0597 -7.0595 -6.9943 -6.9938 -6.9929 -6.9926 -5.0719 -5.0704 -4.9107 -4.9047 -4.6744 -4.6710 -4.6623 -4.6561 -3.6852 -3.6851 -3.6365 -3.6349 -3.4082 -3.4078 -3.2100 -3.1846 -3.0604 -3.0575 -3.0516 -3.0461 -2.9849 -2.9810 -2.9693 -2.9686 -1.1772 -1.1550 -1.1115 -1.1111 -0.3159 -0.3057 -0.2671 -0.2548 -0.0874 -0.0814 4.3006 4.3039 4.3132 4.3212 4.5454 4.5460 4.5557 4.5577 4.8769 4.8775 k = 0.1250 0.5000-0.0000 ( 6682 PWs) bands (ev): -17.5548 -17.5545 -17.4361 -17.4361 -17.4036 -17.4032 -17.4021 -17.4020 -11.2147 -11.2145 -7.0611 -7.0609 -6.9952 -6.9946 -6.9937 -6.9933 -5.0656 -5.0638 -4.9107 -4.9039 -4.6777 -4.6738 -4.6654 -4.6584 -3.6822 -3.6821 -3.6301 -3.6282 -3.4050 -3.4045 -3.2154 -3.1868 -3.0626 -3.0593 -3.0526 -3.0471 -2.9900 -2.9850 -2.9709 -2.9703 -1.1774 -1.1519 -1.1126 -1.1123 -0.3141 -0.3021 -0.2688 -0.2554 -0.0877 -0.0810 4.3026 4.3062 4.3184 4.3276 4.5463 4.5470 4.5685 4.5706 4.8733 4.8739 k = 0.1429 0.5000-0.0000 ( 6702 PWs) bands (ev): -17.5541 -17.5538 -17.4357 -17.4357 -17.4044 -17.4040 -17.4025 -17.4024 -11.2148 -11.2146 -7.0627 -7.0625 -6.9961 -6.9955 -6.9945 -6.9941 -5.0584 -5.0565 -4.9107 -4.9031 -4.6815 -4.6771 -4.6688 -4.6611 -3.6793 -3.6793 -3.6223 -3.6202 -3.4015 -3.4008 -3.2210 -3.1897 -3.0649 -3.0616 -3.0545 -3.0489 -2.9951 -2.9892 -2.9725 -2.9719 -1.1774 -1.1488 -1.1139 -1.1137 -0.3122 -0.2982 -0.2704 -0.2564 -0.0879 -0.0806 4.3055 4.3094 4.3244 4.3346 4.5473 4.5481 4.5825 4.5846 4.8689 4.8696 k = 0.1607 0.5000-0.0000 ( 6694 PWs) bands (ev): -17.5532 -17.5529 -17.4352 -17.4352 -17.4052 -17.4048 -17.4029 -17.4029 -11.2150 -11.2147 -7.0645 -7.0643 -6.9971 -6.9965 -6.9954 -6.9950 -5.0505 -5.0484 -4.9106 -4.9022 -4.6856 -4.6807 -4.6723 -4.6640 -3.6766 -3.6766 -3.6133 -3.6109 -3.3978 -3.3966 -3.2268 -3.1931 -3.0674 -3.0646 -3.0575 -3.0516 -2.9999 -2.9931 -2.9740 -2.9735 -1.1771 -1.1457 -1.1156 -1.1149 -0.3103 -0.2942 -0.2717 -0.2576 -0.0879 -0.0801 4.3094 4.3137 4.3312 4.3423 4.5484 4.5492 4.5973 4.5995 4.8637 4.8646 k = 0.1786 0.5000-0.0000 ( 6694 PWs) bands (ev): -17.5523 -17.5519 -17.4346 -17.4346 -17.4061 -17.4057 -17.4034 -17.4034 -11.2152 -11.2149 -7.0664 -7.0662 -6.9982 -6.9975 -6.9963 -6.9959 -5.0418 -5.0396 -4.9104 -4.9014 -4.6901 -4.6847 -4.6759 -4.6671 -3.6741 -3.6740 -3.6031 -3.6005 -3.3938 -3.3922 -3.2327 -3.1971 -3.0701 -3.0685 -3.0620 -3.0551 -3.0038 -2.9964 -2.9756 -2.9750 -1.1766 -1.1425 -1.1174 -1.1160 -0.3087 -0.2902 -0.2726 -0.2591 -0.0877 -0.0795 4.3145 4.3189 4.3386 4.3505 4.5494 4.5503 4.6128 4.6149 4.8579 4.8589 k = 0.1964 0.5000-0.0000 ( 6692 PWs) bands (ev): -17.5514 -17.5509 -17.4340 -17.4340 -17.4071 -17.4066 -17.4039 -17.4039 -11.2153 -11.2150 -7.0685 -7.0682 -6.9992 -6.9985 -6.9973 -6.9969 -5.0325 -5.0302 -4.9101 -4.9006 -4.6949 -4.6890 -4.6797 -4.6706 -3.6716 -3.6715 -3.5918 -3.5890 -3.3896 -3.3875 -3.2388 -3.2016 -3.0737 -3.0734 -3.0679 -3.0592 -3.0067 -2.9990 -2.9772 -2.9764 -1.1760 -1.1394 -1.1195 -1.1171 -0.3074 -0.2864 -0.2729 -0.2606 -0.0873 -0.0789 4.3207 4.3254 4.3466 4.3592 4.5505 4.5514 4.6286 4.6308 4.8512 4.8523 k = 0.2143 0.5000-0.0000 ( 6682 PWs) bands (ev): -17.5503 -17.5499 -17.4334 -17.4334 -17.4081 -17.4076 -17.4045 -17.4045 -11.2155 -11.2152 -7.0707 -7.0704 -7.0003 -6.9996 -6.9983 -6.9978 -5.0226 -5.0203 -4.9097 -4.8997 -4.6998 -4.6935 -4.6837 -4.6743 -3.6693 -3.6692 -3.5795 -3.5766 -3.3853 -3.3826 -3.2449 -3.2064 -3.0806 -3.0786 -3.0739 -3.0635 -3.0084 -3.0007 -2.9787 -2.9778 -1.1752 -1.1364 -1.1217 -1.1182 -0.3068 -0.2833 -0.2726 -0.2618 -0.0867 -0.0781 4.3282 4.3330 4.3551 4.3682 4.5515 4.5524 4.6446 4.6468 4.8437 4.8450 k = 0.2321 0.5000-0.0000 ( 6690 PWs) bands (ev): -17.5492 -17.5488 -17.4327 -17.4327 -17.4092 -17.4087 -17.4051 -17.4051 -11.2157 -11.2154 -7.0730 -7.0727 -7.0013 -7.0006 -6.9994 -6.9989 -5.0122 -5.0099 -4.9093 -4.8989 -4.7048 -4.6981 -4.6878 -4.6783 -3.6671 -3.6669 -3.5664 -3.5634 -3.3809 -3.3776 -3.2511 -3.2116 -3.0893 -3.0875 -3.0779 -3.0677 -3.0091 -3.0016 -2.9801 -2.9792 -1.1743 -1.1335 -1.1239 -1.1192 -0.3068 -0.2814 -0.2715 -0.2620 -0.0858 -0.0773 4.3368 4.3419 4.3640 4.3775 4.5524 4.5534 4.6606 4.6627 4.8354 4.8368 k = 0.2500 0.5000-0.0000 ( 6666 PWs) bands (ev): -17.5481 -17.5476 -17.4320 -17.4320 -17.4103 -17.4098 -17.4058 -17.4058 -11.2158 -11.2155 -7.0753 -7.0750 -7.0023 -7.0016 -7.0004 -6.9999 -5.0014 -4.9991 -4.9087 -4.8981 -4.7098 -4.7028 -4.6921 -4.6825 -3.6649 -3.6648 -3.5526 -3.5495 -3.3766 -3.3724 -3.2572 -3.2171 -3.0996 -3.0985 -3.0812 -3.0718 -3.0089 -3.0019 -2.9814 -2.9805 -1.1733 -1.1311 -1.1259 -1.1200 -0.3074 -0.2813 -0.2696 -0.2609 -0.0847 -0.0763 4.3467 4.3519 4.3732 4.3870 4.5532 4.5542 4.6764 4.6784 4.8263 4.8279 k = 0.2679 0.5000-0.0000 ( 6690 PWs) bands (ev): -17.5470 -17.5465 -17.4312 -17.4312 -17.4114 -17.4109 -17.4065 -17.4065 -11.2160 -11.2157 -7.0777 -7.0774 -7.0033 -7.0026 -7.0014 -7.0009 -4.9902 -4.9880 -4.9081 -4.8974 -4.7148 -4.7076 -4.6966 -4.6870 -3.6629 -3.6627 -3.5382 -3.5350 -3.3723 -3.3673 -3.2632 -3.2228 -3.1112 -3.1108 -3.0845 -3.0757 -3.0082 -3.0016 -2.9826 -2.9817 -1.1723 -1.1307 -1.1263 -1.1207 -0.3086 -0.2829 -0.2673 -0.2586 -0.0834 -0.0752 4.3578 4.3631 4.3827 4.3965 4.5538 4.5549 4.6915 4.6935 4.8165 4.8181 k = 0.2857 0.5000-0.0000 ( 6684 PWs) bands (ev): -17.5458 -17.5454 -17.4304 -17.4304 -17.4125 -17.4120 -17.4072 -17.4072 -11.2162 -11.2159 -7.0800 -7.0797 -7.0042 -7.0035 -7.0024 -7.0019 -4.9789 -4.9768 -4.9075 -4.8968 -4.7195 -4.7124 -4.7012 -4.6917 -3.6609 -3.6608 -3.5232 -3.5201 -3.3680 -3.3621 -3.2691 -3.2286 -3.1241 -3.1240 -3.0877 -3.0794 -3.0071 -3.0009 -2.9838 -2.9829 -1.1712 -1.1327 -1.1244 -1.1211 -0.3101 -0.2854 -0.2645 -0.2555 -0.0820 -0.0741 4.3699 4.3754 4.3923 4.4060 4.5543 4.5554 4.7058 4.7079 4.8061 4.8079 k = 0.3036 0.5000-0.0000 ( 6684 PWs) bands (ev): -17.5447 -17.5442 -17.4296 -17.4296 -17.4136 -17.4131 -17.4080 -17.4080 -11.2164 -11.2161 -7.0823 -7.0821 -7.0051 -7.0044 -7.0034 -7.0029 -4.9675 -4.9655 -4.9067 -4.8962 -4.7241 -4.7170 -4.7060 -4.6967 -3.6591 -3.6589 -3.5078 -3.5047 -3.3639 -3.3569 -3.2748 -3.2346 -3.1381 -3.1376 -3.0907 -3.0830 -3.0056 -3.0000 -2.9849 -2.9841 -1.1703 -1.1352 -1.1223 -1.1213 -0.3118 -0.2886 -0.2615 -0.2523 -0.0804 -0.0729 4.3831 4.3887 4.4021 4.4155 4.5545 4.5557 4.7187 4.7209 4.7957 4.7974 k = 0.3214 0.5000-0.0000 ( 6692 PWs) bands (ev): -17.5436 -17.5432 -17.4287 -17.4287 -17.4147 -17.4142 -17.4088 -17.4088 -11.2165 -11.2162 -7.0846 -7.0843 -7.0059 -7.0052 -7.0044 -7.0039 -4.9560 -4.9543 -4.9059 -4.8956 -4.7285 -4.7215 -4.7109 -4.7019 -3.6573 -3.6571 -3.4920 -3.4889 -3.3600 -3.3519 -3.2804 -3.2406 -3.1527 -3.1519 -3.0936 -3.0864 -3.0040 -2.9989 -2.9859 -2.9852 -1.1693 -1.1378 -1.1213 -1.1203 -0.3136 -0.2921 -0.2584 -0.2491 -0.0787 -0.0716 4.3972 4.4029 4.4118 4.4247 4.5545 4.5558 4.7288 4.7314 4.7864 4.7877 k = 0.3393 0.5000-0.0000 ( 6700 PWs) bands (ev): -17.5425 -17.5421 -17.4278 -17.4278 -17.4157 -17.4153 -17.4096 -17.4096 -11.2167 -11.2164 -7.0867 -7.0865 -7.0066 -7.0059 -7.0052 -7.0048 -4.9447 -4.9432 -4.9050 -4.8952 -4.7325 -4.7259 -4.7158 -4.7072 -3.6556 -3.6555 -3.4759 -3.4729 -3.3562 -3.3470 -3.2856 -3.2466 -3.1679 -3.1668 -3.0963 -3.0896 -3.0023 -2.9977 -2.9869 -2.9863 -1.1685 -1.1405 -1.1211 -1.1185 -0.3153 -0.2957 -0.2553 -0.2461 -0.0769 -0.0704 4.4117 4.4179 4.4219 4.4338 4.5542 4.5556 4.7337 4.7371 4.7805 4.7812 k = 0.3571 0.5000-0.0000 ( 6700 PWs) bands (ev): -17.5415 -17.5411 -17.4269 -17.4269 -17.4167 -17.4163 -17.4105 -17.4105 -11.2168 -11.2166 -7.0887 -7.0885 -7.0072 -7.0066 -7.0060 -7.0057 -4.9337 -4.9324 -4.9041 -4.8949 -4.7362 -4.7300 -4.7208 -4.7127 -3.6540 -3.6539 -3.4596 -3.4566 -3.3526 -3.3423 -3.2905 -3.2525 -3.1834 -3.1822 -3.0986 -3.0925 -3.0006 -2.9965 -2.9877 -2.9873 -1.1676 -1.1431 -1.1206 -1.1169 -0.3170 -0.2993 -0.2523 -0.2434 -0.0752 -0.0692 4.4255 4.4332 4.4332 4.4430 4.5537 4.5552 4.7304 4.7344 4.7811 4.7813 k = 0.3750 0.5000-0.0000 ( 6704 PWs) bands (ev): -17.5406 -17.5402 -17.4260 -17.4260 -17.4176 -17.4172 -17.4114 -17.4114 -11.2169 -11.2167 -7.0905 -7.0903 -7.0078 -7.0073 -7.0068 -7.0064 -4.9231 -4.9220 -4.9031 -4.8947 -4.7395 -4.7339 -4.7258 -4.7181 -3.6526 -3.6525 -3.4431 -3.4402 -3.3492 -3.3378 -3.2951 -3.2584 -3.1993 -3.1979 -3.1007 -3.0951 -2.9989 -2.9954 -2.9885 -2.9882 -1.1668 -1.1457 -1.1200 -1.1156 -0.3184 -0.3028 -0.2494 -0.2411 -0.0734 -0.0681 4.4363 4.4464 4.4477 4.4542 4.5530 4.5545 4.7204 4.7246 4.7866 4.7867 k = 0.3929 0.5000-0.0000 ( 6704 PWs) bands (ev): -17.5397 -17.5394 -17.4251 -17.4251 -17.4184 -17.4181 -17.4123 -17.4122 -11.2170 -11.2168 -7.0922 -7.0920 -7.0083 -7.0078 -7.0074 -7.0071 -4.9131 -4.9122 -4.9021 -4.8946 -4.7425 -4.7376 -4.7305 -4.7235 -3.6514 -3.6513 -3.4265 -3.4236 -3.3459 -3.3338 -3.2990 -3.2642 -3.2153 -3.2139 -3.1024 -3.0975 -2.9974 -2.9944 -2.9893 -2.9890 -1.1660 -1.1482 -1.1192 -1.1145 -0.3197 -0.3061 -0.2467 -0.2391 -0.0718 -0.0671 4.4451 4.4552 4.4641 4.4695 4.5520 4.5536 4.7070 4.7113 4.7937 4.7938 k = 0.4107 0.5000-0.0000 ( 6702 PWs) bands (ev): -17.5389 -17.5386 -17.4241 -17.4241 -17.4191 -17.4188 -17.4131 -17.4131 -11.2171 -11.2169 -7.0936 -7.0935 -7.0087 -7.0083 -7.0079 -7.0077 -4.9039 -4.9033 -4.9011 -4.8946 -4.7451 -4.7410 -4.7348 -4.7285 -3.6503 -3.6502 -3.4099 -3.4070 -3.3428 -3.3305 -3.3021 -3.2699 -3.2315 -3.2300 -3.1038 -3.0995 -2.9959 -2.9935 -2.9899 -2.9897 -1.1652 -1.1505 -1.1183 -1.1138 -0.3206 -0.3092 -0.2442 -0.2376 -0.0702 -0.0663 4.4529 4.4619 4.4812 4.4863 4.5510 4.5526 4.6921 4.6964 4.8008 4.8008 k = 0.4286 0.5000-0.0000 ( 6696 PWs) bands (ev): -17.5383 -17.5380 -17.4232 -17.4232 -17.4197 -17.4194 -17.4140 -17.4140 -11.2172 -11.2170 -7.0948 -7.0947 -7.0091 -7.0087 -7.0084 -7.0082 -4.9002 -4.8960 -4.8953 -4.8945 -4.7474 -4.7441 -4.7385 -4.7331 -3.6494 -3.6493 -3.3935 -3.3905 -3.3397 -3.3284 -3.3039 -3.2754 -3.2476 -3.2461 -3.1047 -3.1013 -2.9946 -2.9928 -2.9905 -2.9902 -1.1644 -1.1527 -1.1173 -1.1133 -0.3212 -0.3120 -0.2420 -0.2365 -0.0688 -0.0656 4.4598 4.4674 4.4984 4.5032 4.5500 4.5514 4.6766 4.6808 4.8070 4.8070 k = 0.4464 0.5000-0.0000 ( 6704 PWs) bands (ev): -17.5377 -17.5375 -17.4224 -17.4224 -17.4201 -17.4200 -17.4149 -17.4149 -11.2172 -11.2171 -7.0957 -7.0956 -7.0094 -7.0091 -7.0087 -7.0086 -4.8992 -4.8951 -4.8888 -4.8887 -4.7494 -4.7470 -4.7413 -4.7370 -3.6486 -3.6486 -3.3774 -3.3741 -3.3366 -3.3280 -3.3039 -3.2809 -3.2634 -3.2619 -3.1054 -3.1028 -2.9936 -2.9923 -2.9909 -2.9906 -1.1634 -1.1547 -1.1163 -1.1131 -0.3214 -0.3145 -0.2400 -0.2358 -0.0676 -0.0651 4.4656 4.4717 4.5150 4.5192 4.5490 4.5501 4.6614 4.6654 4.8120 4.8121 k = 0.4643 0.5000-0.0000 ( 6692 PWs) bands (ev): -17.5373 -17.5372 -17.4216 -17.4216 -17.4204 -17.4203 -17.4156 -17.4156 -11.2173 -11.2172 -7.0964 -7.0964 -7.0096 -7.0094 -7.0089 -7.0088 -4.8983 -4.8955 -4.8837 -4.8836 -4.7511 -4.7494 -4.7430 -4.7401 -3.6481 -3.6481 -3.3622 -3.3583 -3.3336 -3.3295 -3.3022 -3.2864 -3.2781 -3.2769 -3.1057 -3.1039 -2.9928 -2.9921 -2.9912 -2.9908 -1.1624 -1.1566 -1.1154 -1.1131 -0.3213 -0.3166 -0.2384 -0.2355 -0.0665 -0.0649 4.4703 4.4745 4.5302 4.5334 4.5485 4.5490 4.6478 4.6512 4.8157 4.8158 k = 0.4821 0.5000-0.0000 ( 6704 PWs) bands (ev): -17.5371 -17.5370 -17.4211 -17.4211 -17.4205 -17.4205 -17.4162 -17.4162 -11.2173 -11.2172 -7.0968 -7.0968 -7.0097 -7.0096 -7.0090 -7.0090 -4.8975 -4.8961 -4.8805 -4.8805 -4.7521 -4.7512 -4.7437 -4.7422 -3.6478 -3.6478 -3.3488 -3.3439 -3.3329 -3.3314 -3.2994 -3.2936 -3.2893 -3.2884 -3.1057 -3.1048 -2.9923 -2.9921 -2.9912 -2.9909 -1.1612 -1.1583 -1.1146 -1.1134 -0.3207 -0.3184 -0.2371 -0.2357 -0.0657 -0.0649 4.4737 4.4758 4.5419 4.5431 4.5481 4.5486 4.6378 4.6400 4.8180 4.8180 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -17.5370 -17.5370 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2173 -11.2173 -7.0970 -7.0970 -7.0097 -7.0097 -7.0091 -7.0091 -4.8968 -4.8968 -4.8794 -4.8794 -4.7521 -4.7521 -4.7434 -4.7434 -3.6477 -3.6477 -3.3389 -3.3389 -3.3337 -3.3337 -3.2983 -3.2983 -3.2930 -3.2930 -3.1054 -3.1054 -2.9921 -2.9921 -2.9911 -2.9911 -1.1599 -1.1599 -1.1140 -1.1140 -0.3198 -0.3198 -0.2362 -0.2362 -0.0652 -0.0652 4.4755 4.4755 4.5461 4.5461 4.5488 4.5488 4.6347 4.6347 4.8187 4.8187 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -17.5370 -17.5370 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2173 -11.2173 -7.0970 -7.0970 -7.0097 -7.0097 -7.0091 -7.0091 -4.8968 -4.8968 -4.8794 -4.8794 -4.7521 -4.7521 -4.7434 -4.7434 -3.6477 -3.6477 -3.3389 -3.3389 -3.3337 -3.3337 -3.2983 -3.2983 -3.2930 -3.2930 -3.1054 -3.1054 -2.9921 -2.9921 -2.9911 -2.9911 -1.1599 -1.1599 -1.1140 -1.1140 -0.3198 -0.3198 -0.2362 -0.2362 -0.0652 -0.0652 4.4755 4.4755 4.5461 4.5461 4.5488 4.5488 4.6347 4.6347 4.8187 4.8187 k = 0.4872 0.4872-0.0000 ( 6704 PWs) bands (ev): -17.5371 -17.5370 -17.4211 -17.4210 -17.4206 -17.4205 -17.4162 -17.4162 -11.2173 -11.2172 -7.0968 -7.0968 -7.0097 -7.0096 -7.0090 -7.0090 -4.8976 -4.8961 -4.8805 -4.8805 -4.7521 -4.7512 -4.7437 -4.7422 -3.6478 -3.6478 -3.3491 -3.3441 -3.3328 -3.3314 -3.2983 -3.2945 -3.2891 -3.2883 -3.1057 -3.1048 -2.9922 -2.9922 -2.9912 -2.9909 -1.1612 -1.1583 -1.1146 -1.1134 -0.3207 -0.3184 -0.2371 -0.2357 -0.0658 -0.0649 4.4736 4.4758 4.5412 4.5437 4.5479 4.5488 4.6380 4.6401 4.8180 4.8180 k = 0.4744 0.4744-0.0000 ( 6700 PWs) bands (ev): -17.5373 -17.5372 -17.4215 -17.4214 -17.4206 -17.4205 -17.4156 -17.4156 -11.2173 -11.2172 -7.0964 -7.0963 -7.0096 -7.0094 -7.0089 -7.0088 -4.8989 -4.8961 -4.8832 -4.8831 -4.7512 -4.7497 -4.7427 -4.7399 -3.6481 -3.6481 -3.3633 -3.3592 -3.3334 -3.3293 -3.2992 -3.2864 -3.2793 -3.2769 -3.1057 -3.1039 -2.9926 -2.9925 -2.9910 -2.9908 -1.1623 -1.1567 -1.1154 -1.1131 -0.3213 -0.3166 -0.2384 -0.2355 -0.0666 -0.0649 4.4699 4.4745 4.5286 4.5341 4.5486 4.5493 4.6481 4.6515 4.8156 4.8157 k = 0.4615 0.4615-0.0000 ( 6694 PWs) bands (ev): -17.5378 -17.5376 -17.4221 -17.4220 -17.4204 -17.4204 -17.4148 -17.4148 -11.2172 -11.2171 -7.0957 -7.0956 -7.0094 -7.0091 -7.0087 -7.0085 -4.9021 -4.8987 -4.8860 -4.8851 -4.7501 -4.7485 -4.7399 -4.7364 -3.6488 -3.6486 -3.3801 -3.3761 -3.3357 -3.3280 -3.2978 -3.2790 -3.2666 -3.2628 -3.1054 -3.1027 -2.9935 -2.9929 -2.9904 -2.9904 -1.1631 -1.1551 -1.1163 -1.1131 -0.3215 -0.3144 -0.2401 -0.2358 -0.0677 -0.0651 4.4641 4.4713 4.5128 4.5204 4.5501 4.5508 4.6619 4.6657 4.8118 4.8119 k = 0.4487 0.4487-0.0000 ( 6690 PWs) bands (ev): -17.5383 -17.5381 -17.4228 -17.4226 -17.4202 -17.4202 -17.4139 -17.4138 -11.2172 -11.2170 -7.0947 -7.0946 -7.0091 -7.0087 -7.0084 -7.0082 -4.9085 -4.9055 -4.8869 -4.8844 -4.7490 -4.7478 -4.7355 -4.7318 -3.6498 -3.6495 -3.3983 -3.3941 -3.3373 -3.3283 -3.2937 -3.2715 -3.2528 -3.2483 -3.1048 -3.1012 -2.9944 -2.9936 -2.9898 -2.9896 -1.1637 -1.1537 -1.1171 -1.1134 -0.3213 -0.3119 -0.2421 -0.2366 -0.0690 -0.0656 4.4559 4.4657 4.4964 4.5057 4.5521 4.5529 4.6771 4.6810 4.8066 4.8067 k = 0.4359 0.4359-0.0000 ( 6678 PWs) bands (ev): -17.5390 -17.5388 -17.4233 -17.4231 -17.4199 -17.4199 -17.4130 -17.4129 -11.2171 -11.2169 -7.0934 -7.0932 -7.0086 -7.0082 -7.0079 -7.0077 -4.9179 -4.9151 -4.8859 -4.8820 -4.7479 -4.7473 -4.7303 -4.7265 -3.6512 -3.6508 -3.4175 -3.4129 -3.3384 -3.3295 -3.2875 -3.2633 -3.2391 -3.2340 -3.1038 -3.0995 -2.9954 -2.9945 -2.9890 -2.9885 -1.1640 -1.1527 -1.1178 -1.1139 -0.3208 -0.3091 -0.2444 -0.2378 -0.0707 -0.0664 4.4449 4.4564 4.4817 4.4917 4.5546 4.5554 4.6926 4.6963 4.8001 4.8003 k = 0.4231 0.4231-0.0000 ( 6692 PWs) bands (ev): -17.5399 -17.5396 -17.4238 -17.4236 -17.4196 -17.4196 -17.4120 -17.4119 -11.2170 -11.2168 -7.0919 -7.0917 -7.0082 -7.0076 -7.0074 -7.0072 -4.9291 -4.9264 -4.8837 -4.8786 -4.7469 -4.7468 -4.7247 -4.7208 -3.6532 -3.6525 -3.4373 -3.4323 -3.3388 -3.3311 -3.2797 -3.2545 -3.2257 -3.2201 -3.1025 -3.0976 -2.9962 -2.9954 -2.9879 -2.9873 -1.1640 -1.1523 -1.1183 -1.1148 -0.3201 -0.3062 -0.2471 -0.2395 -0.0726 -0.0674 4.4311 4.4423 4.4703 4.4790 4.5573 4.5581 4.7077 4.7113 4.7924 4.7927 k = 0.4103 0.4103-0.0000 ( 6686 PWs) bands (ev): -17.5410 -17.5406 -17.4242 -17.4240 -17.4192 -17.4192 -17.4111 -17.4109 -11.2169 -11.2167 -7.0900 -7.0898 -7.0076 -7.0069 -7.0068 -7.0065 -4.9415 -4.9389 -4.8807 -4.8745 -4.7463 -4.7459 -4.7190 -4.7149 -3.6559 -3.6548 -3.4577 -3.4522 -3.3386 -3.3325 -3.2706 -3.2449 -3.2127 -3.2066 -3.1009 -3.0954 -2.9967 -2.9961 -2.9866 -2.9858 -1.1638 -1.1524 -1.1185 -1.1159 -0.3192 -0.3032 -0.2501 -0.2418 -0.0748 -0.0686 4.4152 4.4250 4.4611 4.4675 4.5601 4.5608 4.7223 4.7255 4.7840 4.7844 k = 0.3974 0.3974-0.0000 ( 6700 PWs) bands (ev): -17.5421 -17.5418 -17.4245 -17.4243 -17.4188 -17.4188 -17.4102 -17.4100 -11.2168 -11.2166 -7.0879 -7.0876 -7.0069 -7.0062 -7.0060 -7.0058 -4.9548 -4.9522 -4.8770 -4.8699 -4.7456 -4.7448 -4.7134 -4.7091 -3.6593 -3.6579 -3.4785 -3.4725 -3.3376 -3.3336 -3.2605 -3.2347 -3.2001 -3.1937 -3.0990 -3.0930 -2.9969 -2.9966 -2.9850 -2.9841 -1.1635 -1.1533 -1.1186 -1.1175 -0.3183 -0.3002 -0.2533 -0.2445 -0.0773 -0.0702 4.3980 4.4067 4.4524 4.4566 4.5628 4.5633 4.7360 4.7389 4.7749 4.7755 k = 0.3846 0.3846-0.0000 ( 6698 PWs) bands (ev): -17.5435 -17.5431 -17.4246 -17.4245 -17.4183 -17.4183 -17.4093 -17.4090 -11.2167 -11.2165 -7.0855 -7.0852 -7.0061 -7.0055 -7.0052 -7.0050 -4.9688 -4.9662 -4.8726 -4.8648 -4.7448 -4.7437 -4.7082 -4.7036 -3.6637 -3.6619 -3.4997 -3.4932 -3.3360 -3.3339 -3.2494 -3.2237 -3.1880 -3.1813 -3.0969 -3.0905 -2.9967 -2.9966 -2.9832 -2.9821 -1.1631 -1.1549 -1.1193 -1.1184 -0.3174 -0.2974 -0.2569 -0.2478 -0.0800 -0.0720 4.3804 4.3882 4.4435 4.4461 4.5650 4.5653 4.7488 4.7511 4.7657 4.7664 k = 0.3718 0.3718-0.0000 ( 6690 PWs) bands (ev): -17.5449 -17.5445 -17.4246 -17.4245 -17.4178 -17.4177 -17.4084 -17.4082 -11.2166 -11.2164 -7.0829 -7.0825 -7.0053 -7.0046 -7.0043 -7.0041 -4.9833 -4.9806 -4.8677 -4.8592 -4.7440 -4.7424 -4.7033 -4.6984 -3.6691 -3.6668 -3.5212 -3.5142 -3.3336 -3.3334 -3.2374 -3.2120 -3.1763 -3.1694 -3.0945 -3.0877 -2.9963 -2.9957 -2.9812 -2.9800 -1.1626 -1.1570 -1.1214 -1.1183 -0.3166 -0.2950 -0.2606 -0.2516 -0.0830 -0.0742 4.3628 4.3702 4.4342 4.4355 4.5662 4.5664 4.7555 4.7577 4.7605 4.7635 k = 0.3590 0.3590-0.0000 ( 6684 PWs) bands (ev): -17.5465 -17.5461 -17.4245 -17.4244 -17.4172 -17.4172 -17.4076 -17.4073 -11.2165 -11.2163 -7.0800 -7.0796 -7.0044 -7.0037 -7.0033 -7.0032 -4.9981 -4.9954 -4.8623 -4.8532 -4.7430 -4.7411 -4.6988 -4.6936 -3.6756 -3.6730 -3.5429 -3.5355 -3.3318 -3.3302 -3.2246 -3.1996 -3.1651 -3.1581 -3.0918 -3.0849 -2.9953 -2.9942 -2.9789 -2.9775 -1.1621 -1.1597 -1.1238 -1.1183 -0.3160 -0.2931 -0.2646 -0.2560 -0.0863 -0.0767 4.3456 4.3527 4.4245 4.4248 4.5658 4.5665 4.7475 4.7497 4.7712 4.7734 k = 0.3462 0.3462-0.0000 ( 6696 PWs) bands (ev): -17.5483 -17.5479 -17.4242 -17.4241 -17.4165 -17.4165 -17.4069 -17.4066 -11.2165 -11.2162 -7.0768 -7.0764 -7.0034 -7.0027 -7.0022 -7.0021 -5.0131 -5.0105 -4.8565 -4.8470 -4.7419 -4.7398 -4.6949 -4.6892 -3.6834 -3.6803 -3.5648 -3.5570 -3.3290 -3.3259 -3.2111 -3.1866 -3.1544 -3.1474 -3.0889 -3.0819 -2.9937 -2.9920 -2.9763 -2.9749 -1.1628 -1.1618 -1.1265 -1.1185 -0.3158 -0.2919 -0.2686 -0.2608 -0.0899 -0.0795 4.3292 4.3362 4.4140 4.4145 4.5635 4.5648 4.7403 4.7430 4.7808 4.7825 k = 0.3333 0.3333-0.0000 ( 6708 PWs) bands (ev): -17.5501 -17.5497 -17.4238 -17.4238 -17.4159 -17.4159 -17.4062 -17.4058 -11.2164 -11.2161 -7.0734 -7.0730 -7.0023 -7.0017 -7.0011 -7.0010 -5.0282 -5.0257 -4.8502 -4.8404 -4.7407 -4.7383 -4.6914 -4.6852 -3.6924 -3.6890 -3.5868 -3.5787 -3.3248 -3.3205 -3.1969 -3.1731 -3.1441 -3.1372 -3.0859 -3.0789 -2.9914 -2.9892 -2.9735 -2.9719 -1.1663 -1.1617 -1.1295 -1.1192 -0.3159 -0.2918 -0.2726 -0.2662 -0.0937 -0.0828 4.3137 4.3206 4.4032 4.4042 4.5588 4.5609 4.7347 4.7380 4.7893 4.7906 k = 0.3205 0.3205-0.0000 ( 6694 PWs) bands (ev): -17.5521 -17.5517 -17.4233 -17.4233 -17.4152 -17.4152 -17.4056 -17.4052 -11.2163 -11.2160 -7.0698 -7.0694 -7.0013 -7.0006 -6.9999 -6.9998 -5.0434 -5.0409 -4.8436 -4.8335 -4.7393 -4.7367 -4.6885 -4.6818 -3.7026 -3.6989 -3.6088 -3.6004 -3.3192 -3.3140 -3.1821 -3.1590 -3.1342 -3.1276 -3.0827 -3.0758 -2.9885 -2.9857 -2.9703 -2.9688 -1.1700 -1.1618 -1.1327 -1.1203 -0.3164 -0.2929 -0.2763 -0.2720 -0.0977 -0.0865 4.2992 4.3061 4.3923 4.3937 4.5518 4.5545 4.7312 4.7350 4.7967 4.7977 k = 0.3077 0.3077-0.0000 ( 6688 PWs) bands (ev): -17.5541 -17.5538 -17.4226 -17.4226 -17.4145 -17.4144 -17.4050 -17.4046 -11.2163 -11.2160 -7.0660 -7.0655 -7.0001 -6.9995 -6.9988 -6.9986 -5.0586 -5.0561 -4.8366 -4.8264 -4.7378 -4.7351 -4.6860 -4.6788 -3.7140 -3.7100 -3.6308 -3.6222 -3.3121 -3.3062 -3.1668 -3.1445 -3.1248 -3.1186 -3.0794 -3.0727 -2.9850 -2.9816 -2.9669 -2.9653 -1.1739 -1.1621 -1.1362 -1.1219 -0.3175 -0.2955 -0.2795 -0.2783 -0.1020 -0.0906 4.2860 4.2929 4.3816 4.3833 4.5423 4.5457 4.7298 4.7341 4.8032 4.8037 k = 0.2949 0.2949-0.0000 ( 6686 PWs) bands (ev): -17.5563 -17.5559 -17.4219 -17.4218 -17.4137 -17.4137 -17.4044 -17.4040 -11.2163 -11.2160 -7.0620 -7.0615 -6.9989 -6.9984 -6.9975 -6.9973 -5.0736 -5.0713 -4.8293 -4.8192 -4.7362 -4.7333 -4.6840 -4.6764 -3.7265 -3.7222 -3.6527 -3.6439 -3.3035 -3.2973 -3.1512 -3.1296 -3.1159 -3.1100 -3.0760 -3.0696 -2.9809 -2.9770 -2.9632 -2.9616 -1.1780 -1.1629 -1.1399 -1.1242 -0.3191 -0.2995 -0.2849 -0.2826 -0.1067 -0.0953 4.2740 4.2809 4.3711 4.3729 4.5306 4.5345 4.7303 4.7350 4.8086 4.8088 k = 0.2821 0.2821-0.0000 ( 6692 PWs) bands (ev): -17.5585 -17.5582 -17.4210 -17.4209 -17.4130 -17.4129 -17.4040 -17.4035 -11.2163 -11.2160 -7.0577 -7.0573 -6.9978 -6.9972 -6.9963 -6.9961 -5.0886 -5.0863 -4.8219 -4.8118 -4.7345 -4.7315 -4.6825 -4.6744 -3.7398 -3.7353 -3.6745 -3.6655 -3.2934 -3.2873 -3.1352 -3.1144 -3.1075 -3.1019 -3.0726 -3.0666 -2.9764 -2.9720 -2.9592 -2.9576 -1.1822 -1.1640 -1.1438 -1.1271 -0.3214 -0.3044 -0.2920 -0.2859 -0.1116 -0.1004 4.2634 4.2703 4.3609 4.3628 4.5171 4.5213 4.7326 4.7374 4.8130 4.8131 k = 0.2692 0.2692-0.0000 ( 6698 PWs) bands (ev): -17.5607 -17.5604 -17.4201 -17.4199 -17.4122 -17.4122 -17.4035 -17.4031 -11.2163 -11.2161 -7.0534 -7.0529 -6.9965 -6.9960 -6.9951 -6.9948 -5.1033 -5.1011 -4.8142 -4.8044 -4.7327 -4.7296 -4.6814 -4.6729 -3.7540 -3.7492 -3.6960 -3.6869 -3.2820 -3.2760 -3.1191 -3.0996 -3.0988 -3.0943 -3.0691 -3.0635 -2.9714 -2.9665 -2.9549 -2.9534 -1.1864 -1.1656 -1.1479 -1.1305 -0.3242 -0.3101 -0.2993 -0.2896 -0.1168 -0.1060 4.2541 4.2610 4.3511 4.3529 4.5022 4.5067 4.7361 4.7411 4.8163 4.8168 k = 0.2564 0.2564-0.0000 ( 6707 PWs) bands (ev): -17.5630 -17.5628 -17.4190 -17.4189 -17.4114 -17.4114 -17.4031 -17.4027 -11.2164 -11.2162 -7.0488 -7.0484 -6.9953 -6.9948 -6.9938 -6.9935 -5.1177 -5.1157 -4.8064 -4.7968 -4.7307 -4.7277 -4.6808 -4.6718 -3.7687 -3.7637 -3.7173 -3.7080 -3.2694 -3.2638 -3.1031 -3.0920 -3.0869 -3.0834 -3.0656 -3.0606 -2.9660 -2.9608 -2.9503 -2.9489 -1.1907 -1.1676 -1.1521 -1.1346 -0.3277 -0.3162 -0.3069 -0.2939 -0.1224 -0.1121 4.2463 4.2531 4.3417 4.3435 4.4863 4.4910 4.7406 4.7456 4.8189 4.8196 k = 0.2436 0.2436-0.0000 ( 6701 PWs) bands (ev): -17.5653 -17.5651 -17.4179 -17.4177 -17.4106 -17.4106 -17.4028 -17.4024 -11.2165 -11.2163 -7.0442 -7.0437 -6.9941 -6.9936 -6.9925 -6.9922 -5.1318 -5.1300 -4.7985 -4.7893 -4.7287 -4.7256 -4.6804 -4.6711 -3.7838 -3.7786 -3.7381 -3.7288 -3.2556 -3.2505 -3.0882 -3.0849 -3.0790 -3.0678 -3.0620 -3.0577 -2.9603 -2.9548 -2.9454 -2.9442 -1.1950 -1.1701 -1.1563 -1.1393 -0.3318 -0.3226 -0.3146 -0.2989 -0.1283 -0.1187 4.2399 4.2466 4.3328 4.3345 4.4698 4.4745 4.7458 4.7507 4.8207 4.8218 k = 0.2308 0.2308-0.0000 ( 6699 PWs) bands (ev): -17.5676 -17.5674 -17.4168 -17.4165 -17.4098 -17.4098 -17.4025 -17.4021 -11.2166 -11.2164 -7.0395 -7.0390 -6.9929 -6.9924 -6.9913 -6.9909 -5.1456 -5.1439 -4.7905 -4.7819 -4.7265 -4.7235 -4.6805 -4.6708 -3.7992 -3.7938 -3.7585 -3.7493 -3.2410 -3.2365 -3.0784 -3.0778 -3.0675 -3.0580 -3.0551 -3.0521 -2.9544 -2.9487 -2.9404 -2.9393 -1.1992 -1.1731 -1.1607 -1.1445 -0.3364 -0.3292 -0.3225 -0.3046 -0.1345 -0.1258 4.2350 4.2415 4.3246 4.3261 4.4529 4.4577 4.7513 4.7561 4.8220 4.8232 k = 0.2179 0.2179-0.0000 ( 6703 PWs) bands (ev): -17.5699 -17.5697 -17.4156 -17.4153 -17.4091 -17.4090 -17.4023 -17.4018 -11.2167 -11.2166 -7.0347 -7.0342 -6.9917 -6.9912 -6.9901 -6.9897 -5.1589 -5.1574 -4.7826 -4.7745 -4.7243 -4.7213 -4.6808 -4.6709 -3.8145 -3.8089 -3.7784 -3.7693 -3.2256 -3.2217 -3.0724 -3.0712 -3.0577 -3.0523 -3.0493 -3.0369 -2.9484 -2.9426 -2.9351 -2.9342 -1.2034 -1.1765 -1.1651 -1.1502 -0.3416 -0.3360 -0.3305 -0.3109 -0.1410 -0.1332 4.2313 4.2377 4.3169 4.3183 4.4360 4.4408 4.7570 4.7616 4.8228 4.8242 k = 0.2051 0.2051-0.0000 ( 6697 PWs) bands (ev): -17.5722 -17.5720 -17.4143 -17.4141 -17.4083 -17.4083 -17.4021 -17.4016 -11.2169 -11.2167 -7.0298 -7.0294 -6.9905 -6.9900 -6.9889 -6.9885 -5.1718 -5.1705 -4.7747 -4.7672 -4.7220 -4.7191 -4.6813 -4.6713 -3.8298 -3.8240 -3.7977 -3.7887 -3.2096 -3.2063 -3.0668 -3.0657 -3.0536 -3.0497 -3.0343 -3.0217 -2.9423 -2.9365 -2.9297 -2.9289 -1.2075 -1.1803 -1.1696 -1.1563 -0.3472 -0.3428 -0.3385 -0.3178 -0.1478 -0.1409 4.2290 4.2351 4.3099 4.3112 4.4193 4.4240 4.7628 4.7671 4.8231 4.8246 k = 0.1923 0.1923-0.0000 ( 6699 PWs) bands (ev): -17.5744 -17.5742 -17.4131 -17.4128 -17.4076 -17.4075 -17.4019 -17.4015 -11.2171 -11.2169 -7.0250 -7.0245 -6.9893 -6.9889 -6.9878 -6.9873 -5.1843 -5.1831 -4.7669 -4.7601 -4.7196 -4.7170 -4.6820 -4.6720 -3.8447 -3.8388 -3.8163 -3.8075 -3.1932 -3.1906 -3.0617 -3.0609 -3.0504 -3.0473 -3.0187 -3.0069 -2.9361 -2.9304 -2.9242 -2.9235 -1.2114 -1.1845 -1.1742 -1.1628 -0.3532 -0.3497 -0.3464 -0.3253 -0.1548 -0.1489 4.2279 4.2338 4.3036 4.3047 4.4029 4.4075 4.7684 4.7725 4.8230 4.8247 k = 0.1795 0.1795-0.0000 ( 6707 PWs) bands (ev): -17.5765 -17.5764 -17.4119 -17.4116 -17.4068 -17.4068 -17.4017 -17.4013 -11.2173 -11.2172 -7.0202 -7.0198 -6.9882 -6.9878 -6.9867 -6.9862 -5.1962 -5.1951 -4.7593 -4.7533 -4.7173 -4.7148 -4.6828 -4.6729 -3.8592 -3.8532 -3.8342 -3.8256 -3.1766 -3.1746 -3.0570 -3.0565 -3.0475 -3.0449 -3.0033 -2.9925 -2.9300 -2.9245 -2.9186 -2.9180 -1.2152 -1.1889 -1.1790 -1.1696 -0.3596 -0.3565 -0.3541 -0.3330 -0.1620 -0.1570 4.2279 4.2335 4.2979 4.2988 4.3870 4.3915 4.7739 4.7778 4.8226 4.8244 k = 0.1667 0.1667-0.0000 ( 6703 PWs) bands (ev): -17.5786 -17.5785 -17.4106 -17.4103 -17.4062 -17.4061 -17.4016 -17.4012 -11.2175 -11.2174 -7.0155 -7.0151 -6.9871 -6.9867 -6.9856 -6.9852 -5.2075 -5.2066 -4.7519 -4.7467 -4.7149 -4.7126 -4.6836 -4.6740 -3.8731 -3.8670 -3.8512 -3.8429 -3.1601 -3.1585 -3.0529 -3.0526 -3.0448 -3.0427 -2.9883 -2.9786 -2.9240 -2.9188 -2.9132 -2.9126 -1.2188 -1.1934 -1.1839 -1.1766 -0.3661 -0.3632 -0.3617 -0.3411 -0.1693 -0.1652 4.2290 4.2342 4.2928 4.2936 4.3718 4.3761 4.7791 4.7827 4.8220 4.8238 k = 0.1538 0.1538-0.0000 ( 6715 PWs) bands (ev): -17.5806 -17.5805 -17.4095 -17.4091 -17.4055 -17.4055 -17.4015 -17.4012 -11.2178 -11.2177 -7.0109 -7.0105 -6.9861 -6.9857 -6.9846 -6.9842 -5.2182 -5.2175 -4.7448 -4.7405 -4.7126 -4.7105 -4.6845 -4.6752 -3.8864 -3.8803 -3.8673 -3.8593 -3.1438 -3.1427 -3.0491 -3.0490 -3.0423 -3.0406 -2.9739 -2.9653 -2.9180 -2.9133 -2.9078 -2.9072 -1.2222 -1.1979 -1.1890 -1.1838 -0.3727 -0.3698 -0.3690 -0.3493 -0.1766 -0.1733 4.2309 4.2358 4.2884 4.2890 4.3573 4.3614 4.7840 4.7873 4.8211 4.8230 k = 0.1410 0.1410-0.0000 ( 6717 PWs) bands (ev): -17.5824 -17.5824 -17.4083 -17.4080 -17.4049 -17.4048 -17.4014 -17.4011 -11.2180 -11.2179 -7.0064 -7.0061 -6.9851 -6.9848 -6.9837 -6.9833 -5.2283 -5.2277 -4.7381 -4.7346 -4.7104 -4.7085 -4.6852 -4.6765 -3.8988 -3.8928 -3.8824 -3.8749 -3.1279 -3.1271 -3.0459 -3.0458 -3.0400 -3.0387 -2.9601 -2.9526 -2.9123 -2.9080 -2.9027 -2.9020 -1.2253 -1.2025 -1.1942 -1.1909 -0.3793 -0.3762 -0.3760 -0.3575 -0.1838 -0.1812 4.2336 4.2382 4.2845 4.2850 4.3437 4.3475 4.7886 4.7916 4.8202 4.8221 k = 0.1282 0.1282-0.0000 ( 6709 PWs) bands (ev): -17.5842 -17.5841 -17.4072 -17.4069 -17.4043 -17.4042 -17.4014 -17.4011 -11.2182 -11.2182 -7.0022 -7.0018 -6.9842 -6.9839 -6.9828 -6.9825 -5.2377 -5.2372 -4.7317 -4.7292 -4.7084 -4.7067 -4.6857 -4.6778 -3.9104 -3.9046 -3.8965 -3.8894 -3.1126 -3.1121 -3.0431 -3.0428 -3.0378 -3.0368 -2.9470 -2.9407 -2.9068 -2.9030 -2.8977 -2.8970 -1.2281 -1.2069 -1.1995 -1.1978 -0.3856 -0.3827 -0.3823 -0.3656 -0.1908 -0.1888 4.2370 4.2412 4.2812 4.2816 4.3311 4.3346 4.7928 4.7955 4.8192 4.8210 k = 0.1154 0.1154-0.0000 ( 6713 PWs) bands (ev): -17.5858 -17.5857 -17.4062 -17.4059 -17.4037 -17.4037 -17.4013 -17.4011 -11.2185 -11.2184 -6.9982 -6.9979 -6.9834 -6.9831 -6.9821 -6.9817 -5.2463 -5.2460 -4.7259 -4.7242 -4.7066 -4.7050 -4.6859 -4.6790 -3.9210 -3.9155 -3.9094 -3.9029 -3.0982 -3.0979 -3.0406 -3.0403 -3.0358 -3.0351 -2.9349 -2.9296 -2.9015 -2.8982 -2.8931 -2.8923 -1.2307 -1.2112 -1.2048 -1.2046 -0.3916 -0.3890 -0.3881 -0.3734 -0.1975 -0.1961 4.2408 4.2446 4.2783 4.2787 4.3195 4.3227 4.7966 4.7990 4.8182 4.8199 k = 0.1026 0.1026-0.0000 ( 6721 PWs) bands (ev): -17.5872 -17.5872 -17.4053 -17.4050 -17.4032 -17.4032 -17.4013 -17.4011 -11.2187 -11.2187 -6.9945 -6.9942 -6.9826 -6.9823 -6.9813 -6.9811 -5.2542 -5.2539 -4.7206 -4.7197 -4.7052 -4.7035 -4.6857 -4.6800 -3.9306 -3.9254 -3.9212 -3.9152 -3.0848 -3.0846 -3.0384 -3.0381 -3.0339 -3.0334 -2.9238 -2.9195 -2.8965 -2.8938 -2.8888 -2.8880 -1.2329 -1.2154 -1.2110 -1.2101 -0.3972 -0.3949 -0.3935 -0.3810 -0.2038 -0.2028 4.2449 4.2484 4.2759 4.2763 4.3090 4.3118 4.8000 4.8022 4.8172 4.8188 k = 0.0897 0.0897-0.0000 ( 6723 PWs) bands (ev): -17.5886 -17.5886 -17.4044 -17.4042 -17.4028 -17.4027 -17.4013 -17.4011 -11.2189 -11.2189 -6.9911 -6.9909 -6.9819 -6.9817 -6.9807 -6.9805 -5.2612 -5.2611 -4.7159 -4.7157 -4.7042 -4.7024 -4.6852 -4.6808 -3.9392 -3.9344 -3.9316 -3.9263 -3.0725 -3.0724 -3.0365 -3.0362 -3.0323 -3.0319 -2.9137 -2.9105 -2.8918 -2.8896 -2.8849 -2.8841 -1.2348 -1.2193 -1.2169 -1.2151 -0.4023 -0.4002 -0.3985 -0.3881 -0.2097 -0.2090 4.2492 4.2522 4.2739 4.2743 4.2997 4.3021 4.8030 4.8049 4.8163 4.8178 k = 0.0769 0.0769-0.0000 ( 6725 PWs) bands (ev): -17.5897 -17.5897 -17.4037 -17.4034 -17.4024 -17.4023 -17.4012 -17.4011 -11.2191 -11.2191 -6.9881 -6.9879 -6.9813 -6.9811 -6.9801 -6.9799 -5.2674 -5.2673 -4.7123 -4.7118 -4.7035 -4.7016 -4.6843 -4.6813 -3.9466 -3.9423 -3.9408 -3.9361 -3.0617 -3.0616 -3.0349 -3.0346 -3.0308 -3.0306 -2.9050 -2.9027 -2.8873 -2.8857 -2.8814 -2.8806 -1.2363 -1.2230 -1.2222 -1.2199 -0.4067 -0.4049 -0.4030 -0.3946 -0.2149 -0.2144 4.2534 4.2560 4.2723 4.2727 4.2916 4.2936 4.8056 4.8072 4.8154 4.8168 k = 0.0641 0.0641-0.0000 ( 6717 PWs) bands (ev): -17.5907 -17.5907 -17.4030 -17.4028 -17.4020 -17.4020 -17.4012 -17.4011 -11.2193 -11.2193 -6.9855 -6.9853 -6.9808 -6.9806 -6.9797 -6.9795 -5.2728 -5.2727 -4.7093 -4.7085 -4.7031 -4.7011 -4.6833 -4.6814 -3.9528 -3.9491 -3.9486 -3.9446 -3.0523 -3.0523 -3.0335 -3.0332 -3.0296 -3.0294 -2.8977 -2.8963 -2.8832 -2.8820 -2.8783 -2.8776 -1.2375 -1.2268 -1.2263 -1.2242 -0.4105 -0.4089 -0.4070 -0.4005 -0.2194 -0.2192 4.2573 4.2595 4.2709 4.2714 4.2848 4.2863 4.8078 4.8092 4.8147 4.8158 k = 0.0513 0.0513-0.0000 ( 6713 PWs) bands (ev): -17.5915 -17.5915 -17.4025 -17.4024 -17.4017 -17.4017 -17.4011 -17.4011 -11.2194 -11.2194 -6.9834 -6.9833 -6.9803 -6.9801 -6.9792 -6.9791 -5.2771 -5.2771 -4.7069 -4.7059 -4.7028 -4.7009 -4.6822 -4.6812 -3.9579 -3.9549 -3.9548 -3.9517 -3.0447 -3.0447 -3.0321 -3.0319 -3.0285 -3.0284 -2.8920 -2.8912 -2.8793 -2.8786 -2.8758 -2.8752 -1.2382 -1.2306 -1.2294 -1.2279 -0.4136 -0.4121 -0.4104 -0.4056 -0.2232 -0.2231 4.2608 4.2625 4.2698 4.2705 4.2793 4.2803 4.8097 4.8107 4.8141 4.8150 k = 0.0385 0.0385-0.0000 ( 6701 PWs) bands (ev): -17.5922 -17.5922 -17.4022 -17.4021 -17.4014 -17.4014 -17.4011 -17.4011 -11.2195 -11.2195 -6.9818 -6.9817 -6.9797 -6.9796 -6.9789 -6.9788 -5.2806 -5.2806 -4.7049 -4.7040 -4.7026 -4.7010 -4.6813 -4.6808 -3.9617 -3.9598 -3.9594 -3.9574 -3.0392 -3.0392 -3.0306 -3.0304 -3.0277 -3.0276 -2.8879 -2.8875 -2.8759 -2.8755 -2.8737 -2.8733 -1.2385 -1.2336 -1.2322 -1.2310 -0.4159 -0.4145 -0.4131 -0.4099 -0.2262 -0.2262 4.2637 4.2649 4.2688 4.2697 4.2754 4.2758 4.8111 4.8119 4.8136 4.8144 k = 0.0256 0.0256-0.0000 ( 6691 PWs) bands (ev): -17.5927 -17.5927 -17.4019 -17.4019 -17.4012 -17.4012 -17.4010 -17.4010 -11.2196 -11.2196 -6.9809 -6.9808 -6.9792 -6.9791 -6.9787 -6.9786 -5.2831 -5.2831 -4.7034 -4.7027 -4.7024 -4.7012 -4.6805 -4.6804 -3.9644 -3.9633 -3.9628 -3.9616 -3.0358 -3.0358 -3.0288 -3.0287 -3.0271 -3.0270 -2.8851 -2.8850 -2.8732 -2.8731 -2.8722 -2.8719 -1.2384 -1.2356 -1.2344 -1.2334 -0.4173 -0.4162 -0.4152 -0.4133 -0.2284 -0.2284 4.2657 4.2664 4.2679 4.2690 4.2730 4.2730 4.8122 4.8127 4.8133 4.8138 k = 0.0128 0.0128-0.0000 ( 6675 PWs) bands (ev): -17.5929 -17.5929 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9804 -6.9804 -6.9787 -6.9786 -6.9785 -6.9785 -5.2846 -5.2846 -4.7025 -4.7021 -4.7020 -4.7015 -4.6800 -4.6800 -3.9657 -3.9652 -3.9649 -3.9644 -3.0343 -3.0343 -3.0273 -3.0272 -3.0267 -3.0267 -2.8836 -2.8836 -2.8715 -2.8715 -2.8713 -2.8711 -1.2378 -1.2367 -1.2360 -1.2353 -0.4177 -0.4171 -0.4165 -0.4157 -0.2298 -0.2298 4.2668 4.2670 4.2672 4.2679 4.2721 4.2722 4.8129 4.8131 4.8132 4.8134 k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -17.5930 -17.5930 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9803 -6.9803 -6.9785 -6.9785 -6.9785 -6.9785 -5.2851 -5.2851 -4.7019 -4.7019 -4.7019 -4.7019 -4.6799 -4.6799 -3.9657 -3.9657 -3.9657 -3.9657 -3.0339 -3.0339 -3.0266 -3.0266 -3.0266 -3.0266 -2.8831 -2.8831 -2.8709 -2.8709 -2.8709 -2.8709 -1.2368 -1.2368 -1.2368 -1.2368 -0.4172 -0.4172 -0.4172 -0.4172 -0.2302 -0.2302 4.2671 4.2671 4.2671 4.2671 4.2720 4.2720 4.8132 4.8132 4.8132 4.8132 k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -17.5930 -17.5930 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9803 -6.9803 -6.9785 -6.9785 -6.9785 -6.9785 -5.2851 -5.2851 -4.7019 -4.7019 -4.7019 -4.7019 -4.6799 -4.6799 -3.9657 -3.9657 -3.9657 -3.9657 -3.0339 -3.0339 -3.0266 -3.0266 -3.0266 -3.0266 -2.8831 -2.8831 -2.8709 -2.8709 -2.8709 -2.8709 -1.2368 -1.2368 -1.2368 -1.2368 -0.4172 -0.4172 -0.4172 -0.4172 -0.2302 -0.2302 4.2671 4.2671 4.2671 4.2671 4.2720 4.2720 4.8132 4.8132 4.8132 4.8132 k = 0.0104 0.0104 0.0104 ( 6688 PWs) bands (ev): -17.5929 -17.5929 -17.4018 -17.4018 -17.4010 -17.4010 -17.4010 -17.4010 -11.2197 -11.2197 -6.9804 -6.9804 -6.9786 -6.9786 -6.9785 -6.9785 -5.2846 -5.2846 -4.7024 -4.7021 -4.7021 -4.7016 -4.6800 -4.6800 -3.9657 -3.9651 -3.9651 -3.9644 -3.0343 -3.0343 -3.0273 -3.0272 -3.0267 -3.0267 -2.8836 -2.8836 -2.8715 -2.8715 -2.8713 -2.8711 -1.2379 -1.2364 -1.2364 -1.2354 -0.4177 -0.4168 -0.4168 -0.4157 -0.2298 -0.2298 4.2668 4.2668 4.2673 4.2679 4.2721 4.2721 4.8129 4.8132 4.8132 4.8134 k = 0.0208 0.0208 0.0208 ( 6694 PWs) bands (ev): -17.5927 -17.5927 -17.4019 -17.4019 -17.4012 -17.4012 -17.4011 -17.4011 -11.2196 -11.2196 -6.9809 -6.9809 -6.9791 -6.9791 -6.9787 -6.9786 -5.2831 -5.2831 -4.7030 -4.7027 -4.7027 -4.7013 -4.6805 -4.6805 -3.9643 -3.9630 -3.9630 -3.9617 -3.0357 -3.0357 -3.0292 -3.0290 -3.0268 -3.0268 -2.8851 -2.8851 -2.8731 -2.8731 -2.8722 -2.8719 -1.2385 -1.2350 -1.2350 -1.2335 -0.4173 -0.4157 -0.4157 -0.4132 -0.2285 -0.2285 4.2655 4.2655 4.2683 4.2697 4.2730 4.2730 4.8126 4.8131 4.8131 4.8134 k = 0.0312 0.0312 0.0312 ( 6694 PWs) bands (ev): -17.5922 -17.5922 -17.4021 -17.4021 -17.4013 -17.4013 -17.4012 -17.4012 -11.2195 -11.2195 -6.9817 -6.9817 -6.9797 -6.9797 -6.9789 -6.9788 -5.2806 -5.2806 -4.7037 -4.7036 -4.7036 -4.7012 -4.6811 -4.6811 -3.9616 -3.9597 -3.9597 -3.9577 -3.0384 -3.0384 -3.0323 -3.0320 -3.0266 -3.0266 -2.8877 -2.8877 -2.8757 -2.8757 -2.8737 -2.8732 -1.2387 -1.2327 -1.2327 -1.2313 -0.4159 -0.4139 -0.4139 -0.4098 -0.2263 -0.2263 4.2628 4.2628 4.2703 4.2724 4.2750 4.2750 4.8121 4.8128 4.8128 4.8133 k = 0.0417 0.0417 0.0417 ( 6706 PWs) bands (ev): -17.5916 -17.5916 -17.4023 -17.4023 -17.4016 -17.4016 -17.4013 -17.4013 -11.2194 -11.2194 -6.9833 -6.9833 -6.9802 -6.9802 -6.9793 -6.9791 -5.2772 -5.2772 -4.7050 -4.7050 -4.7045 -4.7013 -4.6820 -4.6820 -3.9575 -3.9550 -3.9550 -3.9523 -3.0426 -3.0426 -3.0366 -3.0362 -3.0260 -3.0260 -2.8916 -2.8916 -2.8789 -2.8789 -2.8757 -2.8751 -1.2385 -1.2296 -1.2296 -1.2288 -0.4135 -0.4115 -0.4115 -0.4055 -0.2232 -0.2232 4.2589 4.2589 4.2733 4.2760 4.2781 4.2781 4.8114 4.8125 4.8125 4.8131 k = 0.0521 0.0521 0.0521 ( 6718 PWs) bands (ev): -17.5907 -17.5907 -17.4027 -17.4027 -17.4018 -17.4018 -17.4015 -17.4015 -11.2193 -11.2193 -6.9853 -6.9853 -6.9807 -6.9807 -6.9797 -6.9795 -5.2728 -5.2728 -4.7068 -4.7068 -4.7054 -4.7015 -4.6831 -4.6831 -3.9520 -3.9490 -3.9490 -3.9457 -3.0481 -3.0481 -3.0420 -3.0416 -3.0249 -3.0249 -2.8970 -2.8970 -2.8824 -2.8824 -2.8781 -2.8774 -1.2379 -1.2261 -1.2257 -1.2257 -0.4101 -0.4084 -0.4084 -0.4004 -0.2194 -0.2194 4.2541 4.2541 4.2772 4.2805 4.2823 4.2823 4.8107 4.8121 4.8121 4.8127 k = 0.0625 0.0625 0.0625 ( 6724 PWs) bands (ev): -17.5898 -17.5898 -17.4032 -17.4032 -17.4021 -17.4021 -17.4017 -17.4017 -11.2191 -11.2191 -6.9878 -6.9878 -6.9812 -6.9812 -6.9802 -6.9800 -5.2675 -5.2675 -4.7091 -4.7091 -4.7064 -4.7018 -4.6842 -4.6842 -3.9452 -3.9417 -3.9417 -3.9378 -3.0549 -3.0549 -3.0486 -3.0480 -3.0235 -3.0235 -2.9041 -2.9041 -2.8861 -2.8861 -2.8810 -2.8802 -1.2369 -1.2232 -1.2211 -1.2211 -0.4059 -0.4047 -0.4047 -0.3946 -0.2148 -0.2148 4.2486 4.2486 4.2820 4.2860 4.2874 4.2874 4.8098 4.8116 4.8116 4.8122 k = 0.0729 0.0729 0.0729 ( 6730 PWs) bands (ev): -17.5886 -17.5886 -17.4038 -17.4038 -17.4024 -17.4024 -17.4020 -17.4020 -11.2189 -11.2189 -6.9908 -6.9908 -6.9819 -6.9819 -6.9808 -6.9806 -5.2613 -5.2613 -4.7118 -4.7118 -4.7074 -4.7023 -4.6855 -4.6855 -3.9372 -3.9332 -3.9332 -3.9287 -3.0629 -3.0629 -3.0562 -3.0555 -3.0217 -3.0217 -2.9127 -2.9127 -2.8900 -2.8900 -2.8842 -2.8834 -1.2355 -1.2200 -1.2159 -1.2159 -0.4010 -0.4005 -0.4005 -0.3881 -0.2095 -0.2095 4.2426 4.2426 4.2878 4.2924 4.2935 4.2935 4.8088 4.8110 4.8110 4.8116 k = 0.0833 0.0833 0.0833 ( 6724 PWs) bands (ev): -17.5873 -17.5873 -17.4045 -17.4045 -17.4027 -17.4027 -17.4023 -17.4023 -11.2187 -11.2187 -6.9941 -6.9941 -6.9825 -6.9825 -6.9815 -6.9812 -5.2543 -5.2543 -4.7150 -4.7150 -4.7084 -4.7029 -4.6868 -4.6868 -3.9278 -3.9235 -3.9235 -3.9185 -3.0718 -3.0718 -3.0648 -3.0639 -3.0197 -3.0197 -2.9227 -2.9227 -2.8941 -2.8941 -2.8877 -2.8869 -1.2338 -1.2168 -1.2102 -1.2102 -0.3958 -0.3958 -0.3952 -0.3811 -0.2036 -0.2036 4.2364 4.2364 4.2945 4.2997 4.3005 4.3005 4.8076 4.8103 4.8103 4.8108 k = 0.0938 0.0937 0.0937 ( 6721 PWs) bands (ev): -17.5858 -17.5858 -17.4052 -17.4052 -17.4031 -17.4031 -17.4026 -17.4026 -11.2185 -11.2185 -6.9977 -6.9977 -6.9833 -6.9833 -6.9822 -6.9820 -5.2464 -5.2464 -4.7187 -4.7187 -4.7096 -4.7036 -4.6881 -4.6881 -3.9173 -3.9126 -3.9126 -3.9071 -3.0818 -3.0818 -3.0743 -3.0732 -3.0174 -3.0174 -2.9340 -2.9340 -2.8983 -2.8983 -2.8916 -2.8907 -1.2319 -1.2136 -1.2042 -1.2042 -0.3907 -0.3907 -0.3889 -0.3736 -0.1972 -0.1972 4.2302 4.2302 4.3022 4.3080 4.3084 4.3084 4.8063 4.8094 4.8094 4.8098 k = 0.1042 0.1042 0.1042 ( 6709 PWs) bands (ev): -17.5842 -17.5842 -17.4061 -17.4061 -17.4034 -17.4034 -17.4030 -17.4030 -11.2183 -11.2183 -7.0017 -7.0017 -6.9842 -6.9842 -6.9831 -6.9828 -5.2378 -5.2378 -4.7229 -4.7229 -4.7107 -4.7045 -4.6895 -4.6895 -3.9057 -3.9006 -3.9006 -3.8947 -3.0926 -3.0926 -3.0846 -3.0832 -3.0148 -3.0148 -2.9464 -2.9464 -2.9027 -2.9027 -2.8956 -2.8948 -1.2297 -1.2103 -1.1979 -1.1979 -0.3853 -0.3853 -0.3820 -0.3657 -0.1903 -0.1903 4.2243 4.2243 4.3108 4.3171 4.3173 4.3173 4.8048 4.8083 4.8083 4.8086 k = 0.1146 0.1146 0.1146 ( 6721 PWs) bands (ev): -17.5825 -17.5825 -17.4070 -17.4070 -17.4038 -17.4038 -17.4034 -17.4034 -11.2181 -11.2181 -7.0058 -7.0058 -6.9851 -6.9851 -6.9840 -6.9837 -5.2286 -5.2286 -4.7275 -4.7275 -4.7119 -4.7055 -4.6908 -4.6908 -3.8929 -3.8876 -3.8876 -3.8813 -3.1040 -3.1040 -3.0956 -3.0939 -3.0120 -3.0120 -2.9599 -2.9599 -2.9072 -2.9072 -2.8999 -2.8992 -1.2274 -1.2072 -1.1914 -1.1914 -0.3797 -0.3797 -0.3747 -0.3576 -0.1831 -0.1831 4.2187 4.2187 4.3203 4.3271 4.3271 4.3271 4.8031 4.8071 4.8071 4.8072 k = 0.1250 0.1250 0.1250 ( 6727 PWs) bands (ev): -17.5806 -17.5806 -17.4080 -17.4080 -17.4043 -17.4043 -17.4038 -17.4038 -11.2178 -11.2178 -7.0102 -7.0102 -6.9861 -6.9861 -6.9850 -6.9847 -5.2187 -5.2187 -4.7325 -4.7325 -4.7131 -4.7067 -4.6922 -4.6922 -3.8791 -3.8736 -3.8736 -3.8670 -3.1161 -3.1161 -3.1071 -3.1052 -3.0089 -3.0089 -2.9744 -2.9744 -2.9119 -2.9119 -2.9043 -2.9037 -1.2249 -1.2042 -1.1850 -1.1850 -0.3740 -0.3740 -0.3671 -0.3495 -0.1757 -0.1757 4.2138 4.2138 4.3307 4.3377 4.3377 4.3379 4.8013 4.8056 4.8057 4.8057 k = 0.1354 0.1354 0.1354 ( 6727 PWs) bands (ev): -17.5786 -17.5786 -17.4090 -17.4090 -17.4047 -17.4047 -17.4042 -17.4042 -11.2176 -11.2176 -7.0147 -7.0147 -6.9872 -6.9872 -6.9861 -6.9858 -5.2083 -5.2083 -4.7379 -4.7379 -4.7143 -4.7079 -4.6936 -4.6936 -3.8644 -3.8586 -3.8586 -3.8519 -3.1287 -3.1287 -3.1191 -3.1168 -3.0057 -3.0057 -2.9896 -2.9896 -2.9166 -2.9166 -2.9088 -2.9083 -1.2224 -1.2013 -1.1787 -1.1787 -0.3682 -0.3682 -0.3593 -0.3413 -0.1682 -0.1682 4.2097 4.2097 4.3420 4.3492 4.3492 4.3496 4.7993 4.8038 4.8042 4.8042 k = 0.1458 0.1458 0.1458 ( 6727 PWs) bands (ev): -17.5765 -17.5765 -17.4100 -17.4100 -17.4052 -17.4052 -17.4047 -17.4047 -11.2175 -11.2175 -7.0193 -7.0193 -6.9884 -6.9884 -6.9873 -6.9870 -5.1974 -5.1974 -4.7435 -4.7435 -4.7156 -4.7093 -4.6950 -4.6950 -3.8488 -3.8428 -3.8428 -3.8359 -3.1415 -3.1415 -3.1314 -3.1288 -3.0061 -3.0061 -3.0017 -3.0017 -2.9214 -2.9214 -2.9134 -2.9130 -1.2198 -1.1986 -1.1725 -1.1725 -0.3624 -0.3624 -0.3515 -0.3332 -0.1606 -0.1606 4.2065 4.2065 4.3542 4.3615 4.3615 4.3621 4.7972 4.8017 4.8024 4.8024 k = 0.1562 0.1562 0.1562 ( 6724 PWs) bands (ev): -17.5744 -17.5744 -17.4111 -17.4111 -17.4057 -17.4057 -17.4052 -17.4052 -11.2173 -11.2173 -7.0239 -7.0239 -6.9896 -6.9896 -6.9885 -6.9882 -5.1862 -5.1862 -4.7494 -4.7494 -4.7168 -4.7107 -4.6964 -4.6964 -3.8323 -3.8263 -3.8263 -3.8193 -3.1546 -3.1546 -3.1439 -3.1409 -3.0223 -3.0223 -2.9984 -2.9984 -2.9262 -2.9262 -2.9181 -2.9177 -1.2172 -1.1961 -1.1666 -1.1666 -0.3567 -0.3567 -0.3438 -0.3255 -0.1532 -0.1532 4.2046 4.2046 4.3671 4.3746 4.3746 4.3754 4.7948 4.7995 4.8005 4.8005 k = 0.1667 0.1667 0.1667 ( 6700 PWs) bands (ev): -17.5721 -17.5721 -17.4122 -17.4122 -17.4063 -17.4063 -17.4058 -17.4058 -11.2172 -11.2172 -7.0284 -7.0284 -6.9909 -6.9909 -6.9898 -6.9895 -5.1749 -5.1749 -4.7555 -4.7555 -4.7181 -4.7123 -4.6978 -4.6978 -3.8152 -3.8091 -3.8091 -3.8020 -3.1677 -3.1677 -3.1565 -3.1531 -3.0393 -3.0393 -2.9946 -2.9946 -2.9309 -2.9309 -2.9227 -2.9225 -1.2147 -1.1939 -1.1611 -1.1611 -0.3511 -0.3511 -0.3362 -0.3180 -0.1460 -0.1460 4.2039 4.2039 4.3809 4.3884 4.3884 4.3893 4.7924 4.7970 4.7984 4.7984 k = 0.1771 0.1771 0.1771 ( 6712 PWs) bands (ev): -17.5698 -17.5698 -17.4133 -17.4133 -17.4068 -17.4068 -17.4063 -17.4063 -11.2171 -11.2171 -7.0329 -7.0329 -6.9923 -6.9923 -6.9911 -6.9909 -5.1635 -5.1635 -4.7617 -4.7617 -4.7194 -4.7140 -4.6993 -4.6993 -3.7974 -3.7912 -3.7912 -3.7843 -3.1808 -3.1808 -3.1691 -3.1653 -3.0566 -3.0566 -2.9907 -2.9907 -2.9356 -2.9356 -2.9272 -2.9272 -1.2122 -1.1920 -1.1561 -1.1561 -0.3459 -0.3459 -0.3289 -0.3110 -0.1391 -0.1391 4.2046 4.2046 4.3954 4.4028 4.4028 4.4039 4.7897 4.7943 4.7961 4.7961 k = 0.1875 0.1875 0.1875 ( 6703 PWs) bands (ev): -17.5675 -17.5675 -17.4144 -17.4144 -17.4074 -17.4074 -17.4069 -17.4069 -11.2171 -11.2171 -7.0372 -7.0372 -6.9937 -6.9937 -6.9926 -6.9924 -5.1521 -5.1521 -4.7679 -4.7679 -4.7208 -4.7157 -4.7008 -4.7008 -3.7791 -3.7729 -3.7729 -3.7661 -3.1937 -3.1937 -3.1815 -3.1774 -3.0741 -3.0741 -2.9866 -2.9866 -2.9402 -2.9402 -2.9318 -2.9317 -1.2099 -1.1903 -1.1515 -1.1515 -0.3409 -0.3409 -0.3221 -0.3046 -0.1327 -0.1327 4.2068 4.2068 4.4105 4.4179 4.4179 4.4190 4.7870 4.7915 4.7936 4.7936 k = 0.1979 0.1979 0.1979 ( 6703 PWs) bands (ev): -17.5652 -17.5652 -17.4155 -17.4155 -17.4080 -17.4080 -17.4075 -17.4074 -11.2171 -11.2171 -7.0414 -7.0414 -6.9952 -6.9952 -6.9940 -6.9939 -5.1411 -5.1411 -4.7741 -4.7741 -4.7221 -4.7175 -4.7024 -4.7024 -3.7604 -3.7542 -3.7542 -3.7476 -3.2063 -3.2063 -3.1936 -3.1891 -3.0916 -3.0916 -2.9824 -2.9824 -2.9447 -2.9447 -2.9363 -2.9360 -1.2077 -1.1889 -1.1476 -1.1476 -0.3363 -0.3363 -0.3158 -0.2989 -0.1268 -0.1268 4.2107 4.2107 4.4262 4.4334 4.4334 4.4346 4.7842 4.7884 4.7910 4.7910 k = 0.2083 0.2083 0.2083 ( 6697 PWs) bands (ev): -17.5628 -17.5628 -17.4165 -17.4165 -17.4086 -17.4086 -17.4080 -17.4080 -11.2172 -11.2172 -7.0453 -7.0453 -6.9968 -6.9968 -6.9956 -6.9954 -5.1304 -5.1304 -4.7800 -4.7800 -4.7235 -4.7194 -4.7040 -4.7040 -3.7414 -3.7352 -3.7352 -3.7289 -3.2186 -3.2186 -3.2054 -3.2006 -3.1090 -3.1090 -2.9781 -2.9781 -2.9489 -2.9489 -2.9406 -2.9402 -1.2057 -1.1879 -1.1443 -1.1443 -0.3322 -0.3322 -0.3101 -0.2938 -0.1215 -0.1215 4.2161 4.2161 4.4424 4.4494 4.4494 4.4507 4.7813 4.7852 4.7883 4.7883 k = 0.2188 0.2187 0.2187 ( 6679 PWs) bands (ev): -17.5605 -17.5605 -17.4175 -17.4175 -17.4092 -17.4092 -17.4086 -17.4086 -11.2174 -11.2174 -7.0489 -7.0489 -6.9984 -6.9984 -6.9971 -6.9970 -5.1205 -5.1205 -4.7857 -4.7857 -4.7250 -4.7214 -4.7057 -4.7057 -3.7222 -3.7160 -3.7160 -3.7101 -3.2304 -3.2304 -3.2167 -3.2116 -3.1262 -3.1262 -2.9738 -2.9738 -2.9528 -2.9528 -2.9447 -2.9441 -1.2038 -1.1871 -1.1416 -1.1416 -0.3285 -0.3285 -0.3050 -0.2895 -0.1168 -0.1168 4.2233 4.2233 4.4591 4.4657 4.4657 4.4669 4.7785 4.7819 4.7855 4.7855 k = 0.2292 0.2292 0.2292 ( 6670 PWs) bands (ev): -17.5581 -17.5581 -17.4185 -17.4185 -17.4098 -17.4098 -17.4093 -17.4092 -11.2176 -11.2176 -7.0522 -7.0522 -7.0000 -7.0000 -6.9987 -6.9987 -5.1113 -5.1113 -4.7910 -4.7910 -4.7264 -4.7234 -4.7074 -4.7074 -3.7029 -3.6968 -3.6968 -3.6914 -3.2416 -3.2416 -3.2274 -3.2221 -3.1430 -3.1430 -2.9695 -2.9695 -2.9564 -2.9564 -2.9484 -2.9477 -1.2022 -1.1866 -1.1396 -1.1396 -0.3254 -0.3254 -0.3008 -0.2861 -0.1129 -0.1129 4.2321 4.2321 4.4760 4.4822 4.4822 4.4834 4.7757 4.7785 4.7826 4.7826 k = 0.2396 0.2396 0.2396 ( 6670 PWs) bands (ev): -17.5558 -17.5558 -17.4194 -17.4194 -17.4104 -17.4104 -17.4099 -17.4099 -11.2179 -11.2179 -7.0551 -7.0551 -7.0017 -7.0017 -7.0004 -7.0004 -5.1033 -5.1033 -4.7957 -4.7957 -4.7279 -4.7255 -4.7092 -4.7092 -3.6837 -3.6776 -3.6776 -3.6728 -3.2522 -3.2522 -3.2375 -3.2321 -3.1593 -3.1593 -2.9656 -2.9656 -2.9590 -2.9590 -2.9518 -2.9509 -1.2009 -1.1865 -1.1383 -1.1383 -0.3229 -0.3229 -0.2973 -0.2836 -0.1098 -0.1098 4.2427 4.2427 4.4931 4.4987 4.4987 4.4998 4.7730 4.7751 4.7798 4.7798 k = 0.2500 0.2500 0.2500 ( 6698 PWs) bands (ev): -17.5536 -17.5536 -17.4202 -17.4202 -17.4110 -17.4110 -17.4105 -17.4105 -11.2182 -11.2182 -7.0576 -7.0576 -7.0035 -7.0035 -7.0021 -7.0021 -5.0966 -5.0966 -4.7997 -4.7997 -4.7294 -4.7276 -4.7110 -4.7110 -3.6648 -3.6588 -3.6588 -3.6545 -3.2621 -3.2621 -3.2470 -3.2414 -3.1750 -3.1750 -2.9646 -2.9646 -2.9584 -2.9584 -2.9548 -2.9538 -1.1998 -1.1867 -1.1378 -1.1378 -0.3209 -0.3209 -0.2947 -0.2820 -0.1075 -0.1075 4.2548 4.2548 4.5102 4.5151 4.5151 4.5161 4.7705 4.7717 4.7771 4.7771 k = 0.2604 0.2604 0.2604 ( 6686 PWs) bands (ev): -17.5515 -17.5515 -17.4210 -17.4210 -17.4116 -17.4116 -17.4111 -17.4111 -11.2186 -11.2186 -7.0596 -7.0596 -7.0052 -7.0052 -7.0038 -7.0038 -5.0913 -5.0913 -4.8028 -4.8028 -4.7310 -4.7297 -4.7128 -4.7128 -3.6462 -3.6402 -3.6402 -3.6367 -3.2713 -3.2713 -3.2556 -3.2501 -3.1899 -3.1899 -2.9663 -2.9663 -2.9572 -2.9561 -2.9546 -2.9546 -1.1989 -1.1872 -1.1380 -1.1380 -0.3195 -0.3195 -0.2929 -0.2812 -0.1059 -0.1059 4.2686 4.2686 4.5272 4.5313 4.5313 4.5321 4.7683 4.7685 4.7746 4.7746 k = 0.2708 0.2708 0.2708 ( 6695 PWs) bands (ev): -17.5494 -17.5494 -17.4216 -17.4216 -17.4123 -17.4123 -17.4117 -17.4117 -11.2191 -11.2191 -7.0612 -7.0612 -7.0070 -7.0070 -7.0056 -7.0055 -5.0878 -5.0878 -4.8050 -4.8050 -4.7326 -4.7319 -4.7147 -4.7147 -3.6281 -3.6223 -3.6223 -3.6195 -3.2796 -3.2796 -3.2635 -3.2580 -3.2040 -3.2040 -2.9679 -2.9679 -2.9591 -2.9579 -2.9503 -2.9503 -1.1983 -1.1880 -1.1389 -1.1389 -0.3187 -0.3187 -0.2920 -0.2814 -0.1052 -0.1052 4.2838 4.2838 4.5439 4.5470 4.5470 4.5475 4.7655 4.7666 4.7724 4.7724 k = 0.2812 0.2812 0.2812 ( 6701 PWs) bands (ev): -17.5474 -17.5474 -17.4222 -17.4222 -17.4129 -17.4129 -17.4123 -17.4123 -11.2196 -11.2196 -7.0624 -7.0624 -7.0087 -7.0087 -7.0074 -7.0073 -5.0860 -5.0860 -4.8062 -4.8062 -4.7343 -4.7341 -4.7166 -4.7166 -3.6106 -3.6050 -3.6050 -3.6030 -3.2871 -3.2871 -3.2705 -3.2652 -3.2171 -3.2171 -2.9691 -2.9691 -2.9604 -2.9591 -2.9459 -2.9459 -1.1980 -1.1891 -1.1405 -1.1405 -0.3185 -0.3185 -0.2919 -0.2824 -0.1052 -0.1052 4.3005 4.3005 4.5601 4.5620 4.5620 4.5622 4.7629 4.7654 4.7705 4.7705 k = 0.2917 0.2917 0.2917 ( 6689 PWs) bands (ev): -17.5455 -17.5455 -17.4227 -17.4227 -17.4135 -17.4135 -17.4129 -17.4129 -11.2202 -11.2202 -7.0631 -7.0631 -7.0105 -7.0105 -7.0091 -7.0090 -5.0861 -5.0861 -4.8063 -4.8063 -4.7362 -4.7359 -4.7185 -4.7185 -3.5940 -3.5885 -3.5885 -3.5874 -3.2938 -3.2938 -3.2766 -3.2716 -3.2292 -3.2292 -2.9697 -2.9697 -2.9611 -2.9596 -2.9414 -2.9414 -1.1980 -1.1904 -1.1428 -1.1428 -0.3188 -0.3188 -0.2926 -0.2842 -0.1059 -0.1059 4.3185 4.3185 4.5755 4.5760 4.5762 4.5762 4.7607 4.7648 4.7693 4.7693 k = 0.3021 0.3021 0.3021 ( 6707 PWs) bands (ev): -17.5438 -17.5438 -17.4231 -17.4231 -17.4141 -17.4141 -17.4135 -17.4135 -11.2208 -11.2208 -7.0633 -7.0633 -7.0123 -7.0123 -7.0109 -7.0107 -5.0880 -5.0880 -4.8054 -4.8054 -4.7384 -4.7376 -4.7204 -4.7204 -3.5783 -3.5730 -3.5730 -3.5727 -3.2995 -3.2995 -3.2818 -3.2772 -3.2402 -3.2402 -2.9695 -2.9695 -2.9610 -2.9594 -2.9371 -2.9371 -1.1983 -1.1920 -1.1458 -1.1458 -0.3196 -0.3196 -0.2942 -0.2868 -0.1074 -0.1074 4.3375 4.3375 4.5887 4.5893 4.5893 4.5900 4.7592 4.7650 4.7687 4.7687 k = 0.3125 0.3125 0.3125 ( 6695 PWs) bands (ev): -17.5421 -17.5421 -17.4233 -17.4233 -17.4146 -17.4146 -17.4141 -17.4141 -11.2215 -11.2215 -7.0630 -7.0630 -7.0140 -7.0140 -7.0126 -7.0124 -5.0917 -5.0917 -4.8036 -4.8036 -4.7405 -4.7393 -4.7223 -4.7223 -3.5636 -3.5591 -3.5586 -3.5586 -3.3043 -3.3043 -3.2862 -3.2820 -3.2501 -3.2501 -2.9686 -2.9686 -2.9601 -2.9585 -2.9328 -2.9328 -1.1988 -1.1938 -1.1493 -1.1493 -0.3209 -0.3209 -0.2964 -0.2900 -0.1094 -0.1094 4.3576 4.3576 4.6000 4.6012 4.6012 4.6032 4.7586 4.7662 4.7689 4.7689 k = 0.3229 0.3229 0.3229 ( 6701 PWs) bands (ev): -17.5406 -17.5406 -17.4235 -17.4235 -17.4152 -17.4152 -17.4147 -17.4147 -11.2222 -11.2222 -7.0624 -7.0624 -7.0157 -7.0157 -7.0143 -7.0141 -5.0969 -5.0969 -4.8011 -4.8011 -4.7426 -4.7410 -4.7242 -4.7242 -3.5500 -3.5467 -3.5454 -3.5454 -3.3082 -3.3082 -3.2898 -3.2860 -3.2589 -3.2589 -2.9668 -2.9668 -2.9584 -2.9568 -2.9286 -2.9286 -1.1997 -1.1959 -1.1534 -1.1534 -0.3226 -0.3226 -0.2992 -0.2939 -0.1120 -0.1120 4.3785 4.3785 4.6098 4.6116 4.6116 4.6150 4.7590 4.7683 4.7700 4.7700 k = 0.3333 0.3333 0.3333 ( 6713 PWs) bands (ev): -17.5393 -17.5393 -17.4236 -17.4236 -17.4157 -17.4157 -17.4152 -17.4152 -11.2230 -11.2230 -7.0613 -7.0613 -7.0174 -7.0174 -7.0160 -7.0158 -5.1034 -5.1034 -4.7979 -4.7979 -4.7447 -4.7428 -4.7261 -4.7261 -3.5377 -3.5354 -3.5335 -3.5335 -3.3112 -3.3112 -3.2926 -3.2894 -3.2666 -3.2666 -2.9643 -2.9643 -2.9560 -2.9543 -2.9245 -2.9245 -1.2008 -1.1981 -1.1580 -1.1580 -0.3247 -0.3247 -0.3027 -0.2983 -0.1151 -0.1151 4.4000 4.4000 4.6181 4.6204 4.6204 4.6251 4.7605 4.7715 4.7722 4.7722 k = 0.3438 0.3437 0.3437 ( 6698 PWs) bands (ev): -17.5380 -17.5380 -17.4236 -17.4236 -17.4163 -17.4163 -17.4157 -17.4157 -11.2237 -11.2237 -7.0599 -7.0599 -7.0191 -7.0191 -7.0176 -7.0174 -5.1111 -5.1111 -4.7943 -4.7943 -4.7466 -4.7445 -4.7279 -4.7279 -3.5266 -3.5254 -3.5229 -3.5229 -3.3135 -3.3135 -3.2946 -3.2920 -3.2732 -3.2732 -2.9609 -2.9609 -2.9527 -2.9511 -2.9206 -2.9206 -1.2021 -1.2005 -1.1631 -1.1631 -0.3271 -0.3271 -0.3066 -0.3031 -0.1185 -0.1185 4.4219 4.4219 4.6249 4.6276 4.6276 4.6333 4.7633 4.7753 4.7753 4.7756 k = 0.3542 0.3542 0.3542 ( 6704 PWs) bands (ev): -17.5369 -17.5369 -17.4235 -17.4235 -17.4168 -17.4168 -17.4162 -17.4162 -11.2245 -11.2245 -7.0581 -7.0581 -7.0206 -7.0206 -7.0192 -7.0189 -5.1197 -5.1197 -4.7905 -4.7905 -4.7485 -4.7462 -4.7296 -4.7296 -3.5168 -3.5165 -3.5137 -3.5137 -3.3150 -3.3150 -3.2961 -3.2940 -3.2788 -3.2788 -2.9568 -2.9568 -2.9488 -2.9471 -2.9168 -2.9168 -1.2037 -1.2030 -1.1685 -1.1685 -0.3298 -0.3298 -0.3109 -0.3082 -0.1223 -0.1223 4.4439 4.4439 4.6302 4.6332 4.6332 4.6397 4.7674 4.7794 4.7794 4.7805 k = 0.3646 0.3646 0.3646 ( 6710 PWs) bands (ev): -17.5360 -17.5360 -17.4233 -17.4233 -17.4172 -17.4172 -17.4167 -17.4167 -11.2253 -11.2253 -7.0561 -7.0561 -7.0222 -7.0222 -7.0207 -7.0204 -5.1289 -5.1289 -4.7866 -4.7866 -4.7504 -4.7479 -4.7312 -4.7312 -3.5088 -3.5081 -3.5056 -3.5056 -3.3160 -3.3160 -3.2971 -3.2956 -3.2834 -3.2834 -2.9520 -2.9520 -2.9441 -2.9425 -2.9132 -2.9132 -1.2056 -1.2054 -1.1741 -1.1741 -0.3327 -0.3327 -0.3156 -0.3136 -0.1262 -0.1262 4.4660 4.4660 4.6342 4.6374 4.6374 4.6443 4.7725 4.7842 4.7842 4.7860 k = 0.3750 0.3750 0.3750 ( 6704 PWs) bands (ev): -17.5351 -17.5351 -17.4231 -17.4231 -17.4177 -17.4177 -17.4172 -17.4172 -11.2261 -11.2261 -7.0538 -7.0538 -7.0236 -7.0236 -7.0222 -7.0219 -5.1385 -5.1385 -4.7828 -4.7828 -4.7521 -4.7495 -4.7327 -4.7327 -3.5021 -3.5007 -3.4988 -3.4988 -3.3164 -3.3164 -3.2978 -3.2967 -3.2872 -3.2872 -2.9466 -2.9466 -2.9389 -2.9374 -2.9098 -2.9098 -1.2083 -1.2073 -1.1800 -1.1800 -0.3357 -0.3357 -0.3204 -0.3191 -0.1303 -0.1303 4.4878 4.4878 4.6371 4.6404 4.6404 4.6475 4.7784 4.7895 4.7895 4.7919 k = 0.3854 0.3854 0.3854 ( 6704 PWs) bands (ev): -17.5343 -17.5343 -17.4228 -17.4228 -17.4181 -17.4181 -17.4176 -17.4176 -11.2268 -11.2268 -7.0514 -7.0514 -7.0250 -7.0250 -7.0235 -7.0232 -5.1483 -5.1483 -4.7791 -4.7791 -4.7537 -4.7511 -4.7340 -4.7340 -3.4963 -3.4943 -3.4930 -3.4930 -3.3165 -3.3165 -3.2981 -3.2974 -3.2901 -3.2901 -2.9408 -2.9408 -2.9333 -2.9318 -2.9065 -2.9065 -1.2109 -1.2094 -1.1859 -1.1859 -0.3388 -0.3388 -0.3253 -0.3246 -0.1345 -0.1345 4.5090 4.5090 4.6392 4.6424 4.6424 4.6494 4.7849 4.7951 4.7951 4.7978 k = 0.3958 0.3958 0.3958 ( 6692 PWs) bands (ev): -17.5337 -17.5337 -17.4225 -17.4225 -17.4185 -17.4185 -17.4180 -17.4180 -11.2276 -11.2276 -7.0488 -7.0488 -7.0263 -7.0263 -7.0248 -7.0245 -5.1580 -5.1580 -4.7756 -4.7756 -4.7551 -4.7526 -4.7352 -4.7352 -3.4914 -3.4890 -3.4882 -3.4882 -3.3162 -3.3162 -3.2982 -3.2979 -3.2924 -3.2924 -2.9346 -2.9346 -2.9274 -2.9260 -2.9035 -2.9035 -1.2135 -1.2115 -1.1918 -1.1918 -0.3418 -0.3418 -0.3302 -0.3300 -0.1386 -0.1386 4.5295 4.5295 4.6407 4.6436 4.6436 4.6503 4.7915 4.8008 4.8008 4.8038 k = 0.4062 0.4062 0.4062 ( 6701 PWs) bands (ev): -17.5332 -17.5332 -17.4222 -17.4222 -17.4188 -17.4188 -17.4183 -17.4183 -11.2283 -11.2283 -7.0463 -7.0463 -7.0274 -7.0274 -7.0259 -7.0257 -5.1675 -5.1675 -4.7726 -4.7726 -4.7565 -4.7540 -4.7362 -4.7362 -3.4872 -3.4845 -3.4841 -3.4841 -3.3157 -3.3157 -3.2982 -3.2981 -3.2941 -3.2941 -2.9283 -2.9283 -2.9213 -2.9200 -2.9008 -2.9008 -1.2160 -1.2137 -1.1976 -1.1976 -0.3449 -0.3449 -0.3352 -0.3351 -0.1425 -0.1425 4.5490 4.5490 4.6416 4.6442 4.6442 4.6506 4.7981 4.8063 4.8063 4.8094 k = 0.4167 0.4167 0.4167 ( 6719 PWs) bands (ev): -17.5327 -17.5327 -17.4219 -17.4219 -17.4191 -17.4191 -17.4187 -17.4187 -11.2289 -11.2289 -7.0438 -7.0438 -7.0285 -7.0285 -7.0270 -7.0268 -5.1765 -5.1765 -4.7698 -4.7698 -4.7577 -4.7554 -4.7369 -4.7369 -3.4836 -3.4808 -3.4808 -3.4808 -3.3151 -3.3151 -3.2983 -3.2982 -3.2954 -3.2954 -2.9221 -2.9221 -2.9153 -2.9141 -2.8982 -2.8982 -1.2184 -1.2160 -1.2031 -1.2031 -0.3478 -0.3478 -0.3402 -0.3397 -0.1463 -0.1463 4.5673 4.5673 4.6422 4.6444 4.6444 4.6504 4.8044 4.8116 4.8116 4.8147 k = 0.4271 0.4271 0.4271 ( 6713 PWs) bands (ev): -17.5323 -17.5323 -17.4216 -17.4216 -17.4194 -17.4194 -17.4190 -17.4189 -11.2295 -11.2295 -7.0414 -7.0414 -7.0295 -7.0295 -7.0279 -7.0277 -5.1849 -5.1849 -4.7676 -4.7676 -4.7588 -4.7566 -4.7375 -4.7375 -3.4806 -3.4781 -3.4781 -3.4778 -3.3144 -3.3144 -3.2984 -3.2981 -3.2963 -3.2963 -2.9161 -2.9161 -2.9095 -2.9084 -2.8959 -2.8959 -1.2206 -1.2181 -1.2083 -1.2083 -0.3505 -0.3505 -0.3447 -0.3441 -0.1498 -0.1498 4.5841 4.5841 4.6426 4.6443 4.6443 4.6499 4.8103 4.8164 4.8164 4.8194 k = 0.4375 0.4375 0.4375 ( 6725 PWs) bands (ev): -17.5320 -17.5320 -17.4213 -17.4213 -17.4197 -17.4197 -17.4192 -17.4192 -11.2301 -11.2301 -7.0392 -7.0392 -7.0303 -7.0303 -7.0288 -7.0286 -5.1925 -5.1925 -4.7657 -4.7657 -4.7597 -4.7577 -4.7378 -4.7378 -3.4781 -3.4760 -3.4760 -3.4755 -3.3137 -3.3137 -3.2984 -3.2981 -3.2970 -3.2970 -2.9105 -2.9105 -2.9041 -2.9031 -2.8939 -2.8939 -1.2226 -1.2202 -1.2131 -1.2131 -0.3529 -0.3529 -0.3488 -0.3481 -0.1529 -0.1529 4.5991 4.5991 4.6429 4.6441 4.6441 4.6492 4.8157 4.8207 4.8207 4.8235 k = 0.4479 0.4479 0.4479 ( 6734 PWs) bands (ev): -17.5318 -17.5318 -17.4210 -17.4210 -17.4198 -17.4198 -17.4194 -17.4194 -11.2306 -11.2306 -7.0372 -7.0372 -7.0309 -7.0309 -7.0295 -7.0293 -5.1993 -5.1993 -4.7643 -4.7643 -4.7604 -4.7588 -4.7380 -4.7380 -3.4760 -3.4742 -3.4742 -3.4736 -3.3130 -3.3130 -3.2984 -3.2981 -3.2975 -3.2975 -2.9056 -2.9056 -2.8991 -2.8983 -2.8920 -2.8920 -1.2243 -1.2221 -1.2174 -1.2174 -0.3551 -0.3551 -0.3523 -0.3516 -0.1557 -0.1557 4.6122 4.6122 4.6431 4.6438 4.6438 4.6484 4.8204 4.8245 4.8245 4.8270 k = 0.4583 0.4583 0.4583 ( 6740 PWs) bands (ev): -17.5316 -17.5316 -17.4208 -17.4208 -17.4200 -17.4200 -17.4196 -17.4196 -11.2309 -11.2309 -7.0356 -7.0356 -7.0314 -7.0314 -7.0301 -7.0299 -5.2049 -5.2049 -4.7632 -4.7632 -4.7610 -4.7596 -4.7380 -4.7380 -3.4742 -3.4729 -3.4729 -3.4723 -3.3124 -3.3124 -3.2984 -3.2981 -3.2978 -3.2978 -2.9014 -2.9014 -2.8949 -2.8942 -2.8903 -2.8903 -1.2257 -1.2238 -1.2209 -1.2209 -0.3570 -0.3570 -0.3553 -0.3546 -0.1580 -0.1580 4.6232 4.6232 4.6433 4.6435 4.6435 4.6476 4.8245 4.8276 4.8276 4.8297 k = 0.4688 0.4687 0.4687 ( 6740 PWs) bands (ev): -17.5314 -17.5314 -17.4207 -17.4207 -17.4200 -17.4200 -17.4198 -17.4198 -11.2313 -11.2313 -7.0345 -7.0345 -7.0316 -7.0316 -7.0305 -7.0304 -5.2095 -5.2095 -4.7625 -4.7625 -4.7614 -4.7604 -4.7380 -4.7380 -3.4729 -3.4719 -3.4719 -3.4713 -3.3119 -3.3119 -3.2983 -3.2981 -3.2980 -3.2980 -2.8982 -2.8982 -2.8914 -2.8909 -2.8889 -2.8889 -1.2267 -1.2252 -1.2238 -1.2238 -0.3585 -0.3585 -0.3576 -0.3570 -0.1599 -0.1599 4.6319 4.6319 4.6433 4.6433 4.6436 4.6468 4.8278 4.8301 4.8301 4.8318 k = 0.4792 0.4792 0.4792 ( 6740 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4200 -17.4200 -17.4199 -17.4199 -11.2315 -11.2315 -7.0340 -7.0340 -7.0315 -7.0315 -7.0309 -7.0308 -5.2128 -5.2128 -4.7620 -4.7620 -4.7617 -4.7609 -4.7379 -4.7379 -3.4718 -3.4712 -3.4712 -3.4707 -3.3115 -3.3115 -3.2983 -3.2981 -3.2981 -3.2981 -2.8960 -2.8960 -2.8889 -2.8885 -2.8877 -2.8877 -1.2274 -1.2264 -1.2259 -1.2259 -0.3596 -0.3596 -0.3592 -0.3588 -0.1612 -0.1612 4.6379 4.6379 4.6433 4.6433 4.6439 4.6460 4.8304 4.8318 4.8318 4.8330 k = 0.4896 0.4896 0.4896 ( 6740 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2316 -11.2316 -7.0338 -7.0338 -7.0312 -7.0312 -7.0310 -7.0310 -5.2148 -5.2148 -4.7617 -4.7617 -4.7617 -4.7614 -4.7378 -4.7378 -3.4711 -3.4708 -3.4708 -3.4705 -3.3112 -3.3112 -3.2982 -3.2982 -3.2982 -3.2981 -2.8947 -2.8947 -2.8873 -2.8871 -2.8869 -2.8869 -1.2277 -1.2272 -1.2272 -1.2272 -0.3602 -0.3602 -0.3602 -0.3600 -0.1620 -0.1620 4.6409 4.6409 4.6441 4.6441 4.6443 4.6453 4.8322 4.8329 4.8329 4.8335 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -17.5312 -17.5312 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2317 -11.2317 -7.0338 -7.0338 -7.0311 -7.0311 -7.0311 -7.0311 -5.2154 -5.2154 -4.7616 -4.7616 -4.7616 -4.7616 -4.7377 -4.7377 -3.4706 -3.4706 -3.4706 -3.4706 -3.3111 -3.3111 -3.2982 -3.2982 -3.2982 -3.2982 -2.8942 -2.8942 -2.8867 -2.8867 -2.8867 -2.8867 -1.2275 -1.2275 -1.2275 -1.2275 -0.3604 -0.3604 -0.3604 -0.3604 -0.1623 -0.1623 4.6414 4.6414 4.6448 4.6448 4.6448 4.6448 4.8333 4.8333 4.8333 4.8333 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -17.5312 -17.5312 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2317 -11.2317 -7.0338 -7.0338 -7.0311 -7.0311 -7.0311 -7.0311 -5.2154 -5.2154 -4.7616 -4.7616 -4.7616 -4.7616 -4.7377 -4.7377 -3.4706 -3.4706 -3.4706 -3.4706 -3.3111 -3.3111 -3.2982 -3.2982 -3.2982 -3.2982 -2.8942 -2.8942 -2.8867 -2.8867 -2.8867 -2.8867 -1.2275 -1.2275 -1.2275 -1.2275 -0.3604 -0.3604 -0.3604 -0.3604 -0.1623 -0.1623 4.6414 4.6414 4.6448 4.6448 4.6448 4.6448 4.8333 4.8333 4.8333 4.8333 k = 0.4872 0.5000 0.4872 ( 6738 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2316 -11.2316 -7.0338 -7.0338 -7.0312 -7.0312 -7.0310 -7.0310 -5.2147 -5.2147 -4.7618 -4.7617 -4.7617 -4.7614 -4.7378 -4.7378 -3.4712 -3.4709 -3.4707 -3.4704 -3.3112 -3.3112 -3.2982 -3.2982 -3.2982 -3.2981 -2.8947 -2.8947 -2.8872 -2.8871 -2.8870 -2.8869 -1.2277 -1.2273 -1.2272 -1.2271 -0.3603 -0.3602 -0.3601 -0.3600 -0.1620 -0.1620 4.6409 4.6410 4.6440 4.6441 4.6443 4.6453 4.8322 4.8328 4.8330 4.8336 k = 0.4744 0.5000 0.4744 ( 6738 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4200 -17.4200 -17.4199 -17.4199 -11.2315 -11.2315 -7.0340 -7.0339 -7.0315 -7.0314 -7.0308 -7.0308 -5.2127 -5.2127 -4.7621 -4.7618 -4.7617 -4.7610 -4.7379 -4.7379 -3.4725 -3.4718 -3.4707 -3.4700 -3.3115 -3.3115 -3.2983 -3.2982 -3.2981 -3.2980 -2.8960 -2.8959 -2.8888 -2.8885 -2.8879 -2.8878 -1.2273 -1.2263 -1.2260 -1.2258 -0.3597 -0.3595 -0.3591 -0.3588 -0.1612 -0.1612 4.6381 4.6388 4.6425 4.6426 4.6442 4.6461 4.8301 4.8318 4.8318 4.8333 k = 0.4615 0.5000 0.4615 ( 6738 PWs) bands (ev): -17.5314 -17.5314 -17.4207 -17.4207 -17.4200 -17.4200 -17.4197 -17.4197 -11.2313 -11.2313 -7.0346 -7.0345 -7.0316 -7.0315 -7.0305 -7.0304 -5.2094 -5.2094 -4.7626 -4.7622 -4.7615 -4.7605 -4.7380 -4.7379 -3.4744 -3.4734 -3.4705 -3.4696 -3.3119 -3.3118 -3.2983 -3.2981 -3.2981 -3.2979 -2.8983 -2.8982 -2.8910 -2.8906 -2.8895 -2.8892 -1.2266 -1.2251 -1.2240 -1.2238 -0.3587 -0.3585 -0.3574 -0.3569 -0.1599 -0.1598 4.6326 4.6340 4.6408 4.6409 4.6448 4.6473 4.8270 4.8296 4.8304 4.8326 k = 0.4487 0.5000 0.4487 ( 6738 PWs) bands (ev): -17.5316 -17.5316 -17.4208 -17.4207 -17.4201 -17.4201 -17.4196 -17.4196 -11.2309 -11.2309 -7.0358 -7.0356 -7.0315 -7.0313 -7.0301 -7.0299 -5.2048 -5.2048 -4.7633 -4.7628 -4.7611 -4.7598 -4.7381 -4.7380 -3.4771 -3.4758 -3.4703 -3.4691 -3.3126 -3.3123 -3.2983 -3.2981 -3.2980 -3.2975 -2.9018 -2.9016 -2.8938 -2.8934 -2.8916 -2.8910 -1.2255 -1.2235 -1.2211 -1.2210 -0.3572 -0.3571 -0.3551 -0.3543 -0.1581 -0.1579 4.6249 4.6268 4.6387 4.6387 4.6458 4.6490 4.8229 4.8264 4.8286 4.8314 k = 0.4359 0.5000 0.4359 ( 6734 PWs) bands (ev): -17.5318 -17.5317 -17.4209 -17.4208 -17.4202 -17.4201 -17.4193 -17.4193 -11.2305 -11.2305 -7.0374 -7.0373 -7.0310 -7.0308 -7.0295 -7.0293 -5.1991 -5.1990 -4.7643 -4.7637 -4.7606 -4.7591 -4.7382 -4.7380 -3.4803 -3.4788 -3.4701 -3.4686 -3.3133 -3.3129 -3.2983 -3.2981 -3.2979 -3.2970 -2.9065 -2.9061 -2.8969 -2.8966 -2.8942 -2.8934 -1.2241 -1.2215 -1.2177 -1.2174 -0.3554 -0.3553 -0.3521 -0.3510 -0.1558 -0.1554 4.6152 4.6175 4.6360 4.6362 4.6472 4.6509 4.8179 4.8222 4.8264 4.8298 k = 0.4231 0.5000 0.4231 ( 6722 PWs) bands (ev): -17.5320 -17.5320 -17.4211 -17.4210 -17.4202 -17.4201 -17.4190 -17.4190 -11.2301 -11.2301 -7.0395 -7.0393 -7.0304 -7.0301 -7.0287 -7.0286 -5.1922 -5.1920 -4.7657 -4.7649 -4.7600 -4.7582 -4.7381 -4.7378 -3.4843 -3.4825 -3.4699 -3.4682 -3.3141 -3.3135 -3.2983 -3.2982 -3.2978 -3.2963 -2.9122 -2.9116 -2.9003 -2.9002 -2.8973 -2.8961 -1.2223 -1.2192 -1.2139 -1.2130 -0.3533 -0.3532 -0.3486 -0.3472 -0.1531 -0.1525 4.6037 4.6064 4.6328 4.6331 4.6486 4.6531 4.8121 4.8174 4.8238 4.8276 k = 0.4103 0.5000 0.4103 ( 6710 PWs) bands (ev): -17.5323 -17.5323 -17.4214 -17.4212 -17.4201 -17.4200 -17.4186 -17.4186 -11.2295 -11.2295 -7.0418 -7.0416 -7.0295 -7.0293 -7.0279 -7.0277 -5.1844 -5.1841 -4.7675 -4.7666 -4.7592 -4.7572 -4.7377 -4.7375 -3.4888 -3.4868 -3.4699 -3.4680 -3.3150 -3.3143 -3.2983 -3.2983 -3.2975 -3.2954 -2.9187 -2.9179 -2.9042 -2.9041 -2.9008 -2.8991 -1.2201 -1.2166 -1.2097 -1.2079 -0.3509 -0.3506 -0.3446 -0.3429 -0.1500 -0.1490 4.5906 4.5937 4.6292 4.6296 4.6501 4.6551 4.8057 4.8119 4.8207 4.8248 k = 0.3974 0.5000 0.3974 ( 6706 PWs) bands (ev): -17.5326 -17.5326 -17.4217 -17.4215 -17.4200 -17.4199 -17.4182 -17.4182 -11.2289 -11.2289 -7.0443 -7.0441 -7.0286 -7.0283 -7.0269 -7.0267 -5.1757 -5.1753 -4.7698 -4.7689 -4.7582 -4.7562 -4.7370 -4.7369 -3.4938 -3.4917 -3.4703 -3.4681 -3.3158 -3.3151 -3.2984 -3.2983 -3.2968 -3.2941 -2.9259 -2.9248 -2.9086 -2.9083 -2.9045 -2.9025 -1.2177 -1.2137 -1.2052 -1.2024 -0.3483 -0.3477 -0.3403 -0.3382 -0.1467 -0.1452 4.5761 4.5794 4.6252 4.6257 4.6512 4.6568 4.7988 4.8060 4.8172 4.8216 k = 0.3846 0.5000 0.3846 ( 6714 PWs) bands (ev): -17.5331 -17.5330 -17.4220 -17.4219 -17.4199 -17.4198 -17.4177 -17.4177 -11.2283 -11.2282 -7.0470 -7.0467 -7.0275 -7.0272 -7.0259 -7.0256 -5.1664 -5.1657 -4.7726 -4.7719 -4.7572 -4.7550 -4.7361 -4.7360 -3.4994 -3.4972 -3.4711 -3.4687 -3.3165 -3.3161 -3.2984 -3.2983 -3.2957 -3.2926 -2.9334 -2.9321 -2.9134 -2.9131 -2.9084 -2.9061 -1.2151 -1.2107 -1.2005 -1.1964 -0.3454 -0.3445 -0.3356 -0.3331 -0.1431 -0.1410 4.5604 4.5640 4.6209 4.6215 4.6517 4.6579 4.7920 4.8000 4.8132 4.8177 k = 0.3718 0.5000 0.3718 ( 6710 PWs) bands (ev): -17.5335 -17.5335 -17.4225 -17.4223 -17.4196 -17.4196 -17.4172 -17.4172 -11.2275 -11.2275 -7.0497 -7.0495 -7.0264 -7.0260 -7.0247 -7.0245 -5.1564 -5.1555 -4.7759 -4.7755 -4.7559 -4.7537 -4.7350 -4.7346 -3.5055 -3.5032 -3.4725 -3.4699 -3.3172 -3.3170 -3.2984 -3.2982 -3.2939 -3.2907 -2.9411 -2.9395 -2.9185 -2.9183 -2.9124 -2.9099 -1.2121 -1.2074 -1.1957 -1.1901 -0.3424 -0.3411 -0.3308 -0.3279 -0.1393 -0.1365 4.5438 4.5475 4.6163 4.6169 4.6511 4.6578 4.7856 4.7943 4.8088 4.8133 k = 0.3590 0.5000 0.3590 ( 6694 PWs) bands (ev): -17.5341 -17.5340 -17.4229 -17.4228 -17.4194 -17.4194 -17.4166 -17.4166 -11.2268 -11.2267 -7.0525 -7.0523 -7.0251 -7.0248 -7.0235 -7.0232 -5.1459 -5.1449 -4.7799 -4.7798 -4.7545 -4.7521 -4.7336 -4.7328 -3.5120 -3.5096 -3.4747 -3.4718 -3.3185 -3.3176 -3.2984 -3.2975 -3.2913 -3.2884 -2.9487 -2.9469 -2.9240 -2.9239 -2.9165 -2.9138 -1.2090 -1.2040 -1.1909 -1.1836 -0.3391 -0.3374 -0.3258 -0.3224 -0.1354 -0.1318 4.5264 4.5303 4.6116 4.6122 4.6492 4.6560 4.7800 4.7893 4.8039 4.8083 k = 0.3462 0.5000 0.3462 ( 6706 PWs) bands (ev): -17.5347 -17.5346 -17.4234 -17.4233 -17.4191 -17.4190 -17.4160 -17.4160 -11.2260 -11.2260 -7.0553 -7.0550 -7.0238 -7.0234 -7.0222 -7.0219 -5.1352 -5.1339 -4.7850 -4.7843 -4.7529 -4.7505 -4.7319 -4.7307 -3.5189 -3.5165 -3.4778 -3.4747 -3.3199 -3.3184 -3.2983 -3.2959 -3.2879 -3.2857 -2.9562 -2.9542 -2.9299 -2.9297 -2.9206 -2.9179 -1.2057 -1.2006 -1.1860 -1.1770 -0.3358 -0.3337 -0.3208 -0.3169 -0.1315 -0.1270 4.5085 4.5125 4.6067 4.6072 4.6453 4.6520 4.7760 4.7855 4.7986 4.8027 k = 0.3333 0.5000 0.3333 ( 6696 PWs) bands (ev): -17.5354 -17.5352 -17.4240 -17.4239 -17.4187 -17.4186 -17.4153 -17.4153 -11.2252 -11.2251 -7.0579 -7.0576 -7.0224 -7.0220 -7.0208 -7.0205 -5.1244 -5.1228 -4.7908 -4.7894 -4.7510 -4.7486 -4.7299 -4.7282 -3.5261 -3.5238 -3.4818 -3.4785 -3.3217 -3.3196 -3.2979 -3.2930 -3.2834 -3.2826 -2.9633 -2.9613 -2.9362 -2.9355 -2.9246 -2.9220 -1.2023 -1.1971 -1.1812 -1.1704 -0.3323 -0.3298 -0.3158 -0.3115 -0.1276 -0.1220 4.4902 4.4944 4.6018 4.6022 4.6393 4.6455 4.7735 4.7831 4.7930 4.7966 k = 0.3205 0.5000 0.3205 ( 6694 PWs) bands (ev): -17.5362 -17.5360 -17.4245 -17.4244 -17.4183 -17.4181 -17.4147 -17.4146 -11.2244 -11.2243 -7.0604 -7.0601 -7.0209 -7.0205 -7.0193 -7.0191 -5.1136 -5.1118 -4.7973 -4.7951 -4.7490 -4.7464 -4.7277 -4.7255 -3.5337 -3.5315 -3.4869 -3.4834 -3.3237 -3.3214 -3.2973 -3.2887 -3.2791 -3.2779 -2.9700 -2.9680 -2.9427 -2.9416 -2.9286 -2.9260 -1.1987 -1.1937 -1.1765 -1.1639 -0.3287 -0.3260 -0.3109 -0.3062 -0.1238 -0.1171 4.4719 4.4762 4.5969 4.5971 4.6309 4.6364 4.7725 4.7820 4.7874 4.7902 k = 0.3077 0.5000 0.3077 ( 6694 PWs) bands (ev): -17.5370 -17.5368 -17.4252 -17.4251 -17.4177 -17.4176 -17.4139 -17.4139 -11.2236 -11.2235 -7.0627 -7.0624 -7.0194 -7.0189 -7.0178 -7.0176 -5.1030 -5.1009 -4.8044 -4.8013 -4.7466 -4.7440 -4.7252 -4.7225 -3.5416 -3.5394 -3.4930 -3.4893 -3.3261 -3.3238 -3.2962 -3.2829 -3.2750 -3.2713 -2.9761 -2.9744 -2.9493 -2.9478 -2.9325 -2.9300 -1.1950 -1.1904 -1.1718 -1.1577 -0.3251 -0.3222 -0.3061 -0.3012 -0.1202 -0.1124 4.4537 4.4581 4.5918 4.5920 4.6202 4.6249 4.7712 4.7797 4.7833 4.7861 k = 0.2949 0.5000 0.2949 ( 6692 PWs) bands (ev): -17.5379 -17.5377 -17.4258 -17.4257 -17.4172 -17.4170 -17.4132 -17.4132 -11.2228 -11.2227 -7.0648 -7.0645 -7.0178 -7.0173 -7.0163 -7.0161 -5.0927 -5.0905 -4.8121 -4.8081 -4.7440 -4.7414 -4.7224 -4.7192 -3.5498 -3.5477 -3.5000 -3.4961 -3.3290 -3.3268 -3.2946 -3.2757 -3.2703 -3.2635 -2.9817 -2.9802 -2.9560 -2.9540 -2.9363 -2.9338 -1.1913 -1.1873 -1.1673 -1.1516 -0.3215 -0.3185 -0.3014 -0.2965 -0.1167 -0.1078 4.4358 4.4403 4.5863 4.5872 4.6074 4.6118 4.7666 4.7726 4.7835 4.7875 k = 0.2821 0.5000 0.2821 ( 6688 PWs) bands (ev): -17.5389 -17.5386 -17.4265 -17.4264 -17.4165 -17.4163 -17.4124 -17.4124 -11.2220 -11.2219 -7.0666 -7.0662 -7.0163 -7.0157 -7.0147 -7.0145 -5.0830 -5.0805 -4.8203 -4.8154 -4.7410 -4.7384 -4.7195 -4.7158 -3.5582 -3.5561 -3.5077 -3.5039 -3.3323 -3.3304 -3.2924 -3.2683 -3.2639 -3.2545 -2.9866 -2.9856 -2.9628 -2.9602 -2.9398 -2.9374 -1.1876 -1.1845 -1.1628 -1.1459 -0.3178 -0.3151 -0.2970 -0.2922 -0.1135 -0.1034 4.4183 4.4229 4.5797 4.5823 4.5931 4.5981 4.7593 4.7639 4.7871 4.7912 k = 0.2692 0.5000 0.2692 ( 6696 PWs) bands (ev): -17.5399 -17.5396 -17.4272 -17.4271 -17.4158 -17.4155 -17.4117 -17.4117 -11.2213 -11.2211 -7.0680 -7.0677 -7.0147 -7.0141 -7.0131 -7.0130 -5.0739 -5.0713 -4.8289 -4.8230 -4.7377 -4.7352 -4.7164 -4.7122 -3.5667 -3.5648 -3.5161 -3.5124 -3.3360 -3.3344 -3.2896 -3.2623 -3.2546 -3.2445 -2.9909 -2.9905 -2.9695 -2.9665 -2.9432 -2.9409 -1.1839 -1.1820 -1.1585 -1.1407 -0.3141 -0.3120 -0.2927 -0.2885 -0.1106 -0.0994 4.4016 4.4062 4.5698 4.5748 4.5803 4.5866 4.7506 4.7544 4.7921 4.7959 k = 0.2564 0.5000 0.2564 ( 6698 PWs) bands (ev): -17.5410 -17.5406 -17.4279 -17.4278 -17.4150 -17.4147 -17.4109 -17.4109 -11.2206 -11.2203 -7.0692 -7.0689 -7.0131 -7.0124 -7.0115 -7.0114 -5.0656 -5.0630 -4.8379 -4.8310 -4.7340 -4.7317 -4.7131 -4.7084 -3.5754 -3.5736 -3.5250 -3.5215 -3.3402 -3.3389 -3.2863 -3.2566 -3.2433 -3.2335 -2.9949 -2.9946 -2.9761 -2.9726 -2.9463 -2.9441 -1.1802 -1.1798 -1.1542 -1.1358 -0.3105 -0.3092 -0.2885 -0.2853 -0.1079 -0.0958 4.3856 4.3903 4.5551 4.5589 4.5749 4.5792 4.7410 4.7441 4.7981 4.8014 k = 0.2436 0.5000 0.2436 ( 6698 PWs) bands (ev): -17.5421 -17.5417 -17.4286 -17.4286 -17.4142 -17.4138 -17.4101 -17.4101 -11.2199 -11.2196 -7.0700 -7.0697 -7.0115 -7.0108 -7.0099 -7.0099 -5.0582 -5.0556 -4.8470 -4.8391 -4.7301 -4.7280 -4.7097 -4.7045 -3.5842 -3.5825 -3.5342 -3.5311 -3.3447 -3.3437 -3.2825 -3.2509 -3.2308 -3.2215 -2.9988 -2.9978 -2.9825 -2.9785 -2.9491 -2.9470 -1.1780 -1.1765 -1.1500 -1.1315 -0.3069 -0.3069 -0.2845 -0.2828 -0.1055 -0.0926 4.3706 4.3753 4.5376 4.5412 4.5709 4.5741 4.7307 4.7331 4.8045 4.8074 k = 0.2308 0.5000 0.2308 ( 6698 PWs) bands (ev): -17.5432 -17.5429 -17.4293 -17.4293 -17.4133 -17.4129 -17.4093 -17.4093 -11.2192 -11.2190 -7.0705 -7.0702 -7.0099 -7.0092 -7.0083 -7.0083 -5.0519 -5.0494 -4.8560 -4.8473 -4.7258 -4.7240 -4.7062 -4.7005 -3.5930 -3.5914 -3.5436 -3.5409 -3.3496 -3.3488 -3.2783 -3.2449 -3.2173 -3.2087 -3.0023 -3.0006 -2.9888 -2.9842 -2.9517 -2.9497 -1.1766 -1.1730 -1.1459 -1.1276 -0.3051 -0.3034 -0.2810 -0.2807 -0.1034 -0.0898 4.3567 4.3614 4.5191 4.5228 4.5673 4.5699 4.7196 4.7215 4.8112 4.8137 k = 0.2179 0.5000 0.2179 ( 6698 PWs) bands (ev): -17.5444 -17.5440 -17.4301 -17.4300 -17.4124 -17.4120 -17.4086 -17.4086 -11.2186 -11.2183 -7.0707 -7.0704 -7.0083 -7.0076 -7.0068 -7.0068 -5.0468 -5.0445 -4.8649 -4.8554 -4.7211 -4.7198 -4.7025 -4.6965 -3.6019 -3.6004 -3.5531 -3.5509 -3.3546 -3.3541 -3.2736 -3.2389 -3.2032 -3.1953 -3.0054 -3.0030 -2.9946 -2.9895 -2.9540 -2.9521 -1.1755 -1.1697 -1.1420 -1.1243 -0.3039 -0.2999 -0.2799 -0.2771 -0.1015 -0.0874 4.3440 4.3486 4.5002 4.5041 4.5640 4.5662 4.7079 4.7093 4.8180 4.8202 k = 0.2051 0.5000 0.2051 ( 6698 PWs) bands (ev): -17.5456 -17.5452 -17.4308 -17.4307 -17.4114 -17.4110 -17.4078 -17.4078 -11.2180 -11.2177 -7.0706 -7.0702 -7.0068 -7.0060 -7.0053 -7.0052 -5.0431 -5.0410 -4.8733 -4.8631 -4.7163 -4.7155 -4.6989 -4.6924 -3.6106 -3.6092 -3.5626 -3.5608 -3.3599 -3.3595 -3.2685 -3.2328 -3.1886 -3.1813 -3.0083 -3.0055 -2.9997 -2.9940 -2.9560 -2.9542 -1.1748 -1.1665 -1.1381 -1.1215 -0.3032 -0.2966 -0.2795 -0.2736 -0.0998 -0.0854 4.3326 4.3371 4.4812 4.4853 4.5610 4.5630 4.6956 4.6965 4.8248 4.8267 k = 0.1923 0.5000 0.1923 ( 6692 PWs) bands (ev): -17.5468 -17.5463 -17.4315 -17.4315 -17.4105 -17.4100 -17.4071 -17.4071 -11.2175 -11.2172 -7.0701 -7.0698 -7.0053 -7.0045 -7.0038 -7.0037 -5.0408 -5.0390 -4.8811 -4.8704 -4.7112 -4.7110 -4.6952 -4.6883 -3.6193 -3.6180 -3.5719 -3.5706 -3.3653 -3.3650 -3.2631 -3.2266 -3.1737 -3.1670 -3.0116 -3.0085 -3.0037 -2.9974 -2.9578 -2.9561 -1.1744 -1.1635 -1.1345 -1.1193 -0.3030 -0.2934 -0.2798 -0.2704 -0.0983 -0.0839 4.3225 4.3269 4.4624 4.4666 4.5583 4.5600 4.6827 4.6831 4.8315 4.8332 k = 0.1795 0.5000 0.1795 ( 6678 PWs) bands (ev): -17.5479 -17.5475 -17.4322 -17.4321 -17.4095 -17.4090 -17.4064 -17.4063 -11.2170 -11.2167 -7.0694 -7.0691 -7.0038 -7.0031 -7.0023 -7.0022 -5.0400 -5.0385 -4.8881 -4.8770 -4.7064 -4.7060 -4.6914 -4.6841 -3.6278 -3.6266 -3.5809 -3.5801 -3.3707 -3.3705 -3.2574 -3.2206 -3.1589 -3.1525 -3.0156 -3.0122 -3.0059 -2.9994 -2.9593 -2.9577 -1.1742 -1.1609 -1.1310 -1.1174 -0.3033 -0.2903 -0.2808 -0.2674 -0.0968 -0.0827 4.3137 4.3181 4.4439 4.4483 4.5559 4.5574 4.6693 4.6693 4.8380 4.8395 k = 0.1667 0.5000 0.1667 ( 6666 PWs) bands (ev): -17.5490 -17.5486 -17.4328 -17.4328 -17.4085 -17.4081 -17.4057 -17.4056 -11.2165 -11.2163 -7.0685 -7.0682 -7.0024 -7.0017 -7.0009 -7.0008 -5.0408 -5.0394 -4.8940 -4.8829 -4.7019 -4.7008 -4.6877 -4.6801 -3.6360 -3.6349 -3.5897 -3.5893 -3.3761 -3.3760 -3.2516 -3.2146 -3.1442 -3.1380 -3.0200 -3.0163 -3.0067 -3.0002 -2.9606 -2.9592 -1.1743 -1.1586 -1.1277 -1.1160 -0.3040 -0.2878 -0.2819 -0.2646 -0.0955 -0.0818 4.3064 4.3106 4.4260 4.4305 4.5537 4.5551 4.6552 4.6555 4.8443 4.8456 k = 0.1538 0.5000 0.1538 ( 6678 PWs) bands (ev): -17.5501 -17.5497 -17.4335 -17.4334 -17.4076 -17.4071 -17.4050 -17.4050 -11.2161 -11.2159 -7.0674 -7.0671 -7.0010 -7.0003 -6.9996 -6.9994 -5.0430 -5.0417 -4.8989 -4.8880 -4.6974 -4.6956 -4.6841 -4.6761 -3.6440 -3.6430 -3.5981 -3.5980 -3.3814 -3.3813 -3.2456 -3.2090 -3.1302 -3.1239 -3.0244 -3.0205 -3.0064 -3.0001 -2.9616 -2.9604 -1.1746 -1.1567 -1.1246 -1.1149 -0.3052 -0.2871 -0.2820 -0.2622 -0.0944 -0.0812 4.3005 4.3045 4.4089 4.4133 4.5517 4.5530 4.6408 4.6414 4.8502 4.8513 k = 0.1410 0.5000 0.1410 ( 6686 PWs) bands (ev): -17.5512 -17.5508 -17.4341 -17.4341 -17.4067 -17.4062 -17.4044 -17.4043 -11.2158 -11.2155 -7.0662 -7.0659 -6.9997 -6.9990 -6.9983 -6.9981 -5.0465 -5.0452 -4.9027 -4.8922 -4.6930 -4.6905 -4.6805 -4.6723 -3.6516 -3.6507 -3.6063 -3.6060 -3.3865 -3.3865 -3.2396 -3.2037 -3.1170 -3.1104 -3.0287 -3.0247 -3.0051 -2.9994 -2.9625 -2.9614 -1.1750 -1.1554 -1.1218 -1.1141 -0.3067 -0.2890 -0.2801 -0.2601 -0.0932 -0.0808 4.2959 4.2997 4.3926 4.3969 4.5499 4.5511 4.6262 4.6271 4.8558 4.8568 k = 0.1282 0.5000 0.1282 ( 6690 PWs) bands (ev): -17.5522 -17.5518 -17.4347 -17.4346 -17.4058 -17.4053 -17.4038 -17.4038 -11.2155 -11.2152 -7.0649 -7.0646 -6.9985 -6.9978 -6.9971 -6.9968 -5.0509 -5.0497 -4.9056 -4.8957 -4.6887 -4.6857 -4.6769 -4.6686 -3.6589 -3.6580 -3.6139 -3.6134 -3.3914 -3.3914 -3.2335 -3.1988 -3.1049 -3.0977 -3.0326 -3.0286 -3.0028 -2.9979 -2.9632 -2.9623 -1.1754 -1.1546 -1.1192 -1.1135 -0.3084 -0.2919 -0.2776 -0.2583 -0.0922 -0.0807 4.2927 4.2963 4.3773 4.3814 4.5483 4.5494 4.6118 4.6127 4.8610 4.8618 k = 0.1154 0.5000 0.1154 ( 6692 PWs) bands (ev): -17.5531 -17.5528 -17.4352 -17.4352 -17.4050 -17.4045 -17.4033 -17.4032 -11.2152 -11.2150 -7.0635 -7.0633 -6.9973 -6.9967 -6.9959 -6.9957 -5.0561 -5.0548 -4.9076 -4.8985 -4.6847 -4.6812 -4.6733 -4.6652 -3.6656 -3.6648 -3.6210 -3.6203 -3.3960 -3.3960 -3.2275 -3.1944 -3.0941 -3.0863 -3.0362 -3.0323 -2.9996 -2.9958 -2.9637 -2.9630 -1.1759 -1.1544 -1.1169 -1.1129 -0.3103 -0.2953 -0.2751 -0.2568 -0.0911 -0.0807 4.2907 4.2940 4.3631 4.3671 4.5469 4.5480 4.5975 4.5985 4.8657 4.8665 k = 0.1026 0.5000 0.1026 ( 6706 PWs) bands (ev): -17.5540 -17.5537 -17.4357 -17.4357 -17.4042 -17.4038 -17.4028 -17.4027 -11.2150 -11.2148 -7.0621 -7.0619 -6.9962 -6.9956 -6.9949 -6.9947 -5.0616 -5.0603 -4.9090 -4.9007 -4.6809 -4.6773 -4.6698 -4.6620 -3.6718 -3.6711 -3.6274 -3.6265 -3.4003 -3.4003 -3.2216 -3.1906 -3.0848 -3.0764 -3.0395 -3.0356 -2.9955 -2.9930 -2.9641 -2.9636 -1.1763 -1.1548 -1.1149 -1.1123 -0.3123 -0.2988 -0.2726 -0.2557 -0.0901 -0.0808 4.2898 4.2929 4.3501 4.3539 4.5456 4.5467 4.5837 4.5846 4.8700 4.8707 k = 0.0897 0.5000 0.0897 ( 6690 PWs) bands (ev): -17.5548 -17.5545 -17.4361 -17.4361 -17.4035 -17.4031 -17.4023 -17.4022 -11.2148 -11.2146 -7.0608 -7.0606 -6.9952 -6.9947 -6.9939 -6.9937 -5.0672 -5.0659 -4.9098 -4.9025 -4.6775 -4.6738 -4.6663 -4.6591 -3.6774 -3.6768 -3.6331 -3.6322 -3.4042 -3.4041 -3.2159 -3.1874 -3.0770 -3.0682 -3.0423 -3.0386 -2.9907 -2.9895 -2.9643 -2.9640 -1.1765 -1.1558 -1.1131 -1.1117 -0.3142 -0.3023 -0.2702 -0.2549 -0.0892 -0.0810 4.2899 4.2928 4.3385 4.3420 4.5443 4.5455 4.5706 4.5713 4.8739 4.8744 k = 0.0769 0.5000 0.0769 ( 6686 PWs) bands (ev): -17.5555 -17.5552 -17.4365 -17.4365 -17.4029 -17.4025 -17.4019 -17.4018 -11.2146 -11.2144 -7.0596 -7.0594 -6.9943 -6.9938 -6.9931 -6.9929 -5.0726 -5.0713 -4.9102 -4.9039 -4.6743 -4.6710 -4.6630 -4.6566 -3.6824 -3.6819 -3.6381 -3.6372 -3.4076 -3.4076 -3.2105 -3.1850 -3.0705 -3.0618 -3.0447 -3.0411 -2.9857 -2.9855 -2.9644 -2.9643 -1.1765 -1.1572 -1.1116 -1.1110 -0.3159 -0.3058 -0.2680 -0.2544 -0.0883 -0.0813 4.2908 4.2934 4.3283 4.3315 4.5427 4.5444 4.5589 4.5589 4.8772 4.8777 k = 0.0641 0.5000 0.0641 ( 6688 PWs) bands (ev): -17.5560 -17.5558 -17.4368 -17.4368 -17.4023 -17.4020 -17.4015 -17.4015 -11.2145 -11.2143 -7.0585 -7.0583 -6.9936 -6.9931 -6.9923 -6.9921 -5.0775 -5.0763 -4.9104 -4.9051 -4.6716 -4.6687 -4.6598 -4.6544 -3.6867 -3.6862 -3.6423 -3.6415 -3.4106 -3.4105 -3.2053 -3.1833 -3.0653 -3.0573 -3.0468 -3.0433 -2.9812 -2.9808 -2.9645 -2.9643 -1.1762 -1.1591 -1.1103 -1.1103 -0.3174 -0.3090 -0.2659 -0.2542 -0.0874 -0.0816 4.2923 4.2946 4.3196 4.3224 4.5397 4.5424 4.5486 4.5498 4.8801 4.8805 k = 0.0513 0.5000 0.0513 ( 6700 PWs) bands (ev): -17.5565 -17.5563 -17.4371 -17.4371 -17.4019 -17.4016 -17.4012 -17.4012 -11.2144 -11.2142 -7.0575 -7.0574 -6.9929 -6.9925 -6.9917 -6.9915 -5.0817 -5.0807 -4.9103 -4.9060 -4.6693 -4.6669 -4.6571 -4.6527 -3.6903 -3.6899 -3.6458 -3.6451 -3.4130 -3.4130 -3.2006 -3.1824 -3.0610 -3.0544 -3.0484 -3.0449 -2.9771 -2.9766 -2.9644 -2.9640 -1.1757 -1.1613 -1.1096 -1.1093 -0.3187 -0.3120 -0.2639 -0.2543 -0.0867 -0.0820 4.2941 4.2961 4.3124 4.3149 4.5334 4.5357 4.5446 4.5457 4.8824 4.8827 k = 0.0385 0.5000 0.0385 ( 6688 PWs) bands (ev): -17.5569 -17.5568 -17.4373 -17.4373 -17.4015 -17.4014 -17.4009 -17.4009 -11.2143 -11.2142 -7.0567 -7.0566 -6.9924 -6.9921 -6.9912 -6.9910 -5.0852 -5.0844 -4.9100 -4.9068 -4.6674 -4.6655 -4.6547 -4.6514 -3.6931 -3.6928 -3.6485 -3.6479 -3.4150 -3.4150 -3.1962 -3.1823 -3.0575 -3.0529 -3.0496 -3.0461 -2.9736 -2.9733 -2.9641 -2.9633 -1.1748 -1.1636 -1.1090 -1.1086 -0.3195 -0.3145 -0.2620 -0.2547 -0.0859 -0.0825 4.2959 4.2977 4.3069 4.3090 4.5263 4.5278 4.5436 4.5442 4.8843 4.8845 k = 0.0256 0.5000 0.0256 ( 6692 PWs) bands (ev): -17.5572 -17.5571 -17.4375 -17.4375 -17.4013 -17.4012 -17.4007 -17.4007 -11.2142 -11.2141 -7.0562 -7.0561 -6.9920 -6.9918 -6.9908 -6.9907 -5.0876 -5.0871 -4.9097 -4.9076 -4.6659 -4.6647 -4.6529 -4.6507 -3.6951 -3.6949 -3.6504 -3.6500 -3.4164 -3.4164 -3.1924 -3.1829 -3.0548 -3.0524 -3.0503 -3.0471 -2.9713 -2.9712 -2.9634 -2.9626 -1.1736 -1.1659 -1.1085 -1.1082 -0.3200 -0.3166 -0.2603 -0.2554 -0.0852 -0.0829 4.2973 4.2989 4.3030 4.3049 4.5207 4.5216 4.5432 4.5435 4.8856 4.8857 k = 0.0128 0.5000 0.0128 ( 6696 PWs) bands (ev): -17.5573 -17.5573 -17.4376 -17.4376 -17.4011 -17.4011 -17.4006 -17.4006 -11.2142 -11.2141 -7.0558 -7.0558 -6.9917 -6.9916 -6.9905 -6.9905 -5.0891 -5.0888 -4.9093 -4.9082 -4.6649 -4.6643 -4.6515 -4.6504 -3.6963 -3.6962 -3.6515 -3.6513 -3.4172 -3.4172 -3.1891 -3.1843 -3.0531 -3.0524 -3.0502 -3.0481 -2.9701 -2.9701 -2.9626 -2.9620 -1.1721 -1.1682 -1.1081 -1.1079 -0.3199 -0.3183 -0.2588 -0.2563 -0.0846 -0.0834 4.2981 4.2992 4.3013 4.3025 4.5172 4.5176 4.5430 4.5431 4.8864 4.8865 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -17.5574 -17.5574 -17.4376 -17.4376 -17.4010 -17.4010 -17.4006 -17.4006 -11.2141 -11.2141 -7.0557 -7.0557 -6.9916 -6.9916 -6.9904 -6.9904 -5.0895 -5.0895 -4.9088 -4.9088 -4.6644 -4.6644 -4.6507 -4.6507 -3.6966 -3.6966 -3.6518 -3.6518 -3.4175 -3.4175 -3.1864 -3.1864 -3.0525 -3.0525 -3.0492 -3.0492 -2.9698 -2.9698 -2.9620 -2.9620 -1.1703 -1.1703 -1.1079 -1.1079 -0.3194 -0.3194 -0.2575 -0.2575 -0.0840 -0.0840 4.2985 4.2985 4.3015 4.3015 4.5161 4.5161 4.5430 4.5430 4.8867 4.8867 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -17.5370 -17.5370 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2173 -11.2173 -7.0970 -7.0970 -7.0097 -7.0097 -7.0091 -7.0091 -4.8968 -4.8968 -4.8794 -4.8794 -4.7521 -4.7521 -4.7434 -4.7434 -3.6477 -3.6477 -3.3389 -3.3389 -3.3337 -3.3337 -3.2983 -3.2983 -3.2930 -3.2930 -3.1054 -3.1054 -2.9921 -2.9921 -2.9911 -2.9911 -1.1599 -1.1599 -1.1140 -1.1140 -0.3198 -0.3198 -0.2362 -0.2362 -0.0652 -0.0652 4.4755 4.4755 4.5461 4.5461 4.5488 4.5488 4.6347 4.6347 4.8187 4.8187 k = 0.5000 0.5000 0.0179 ( 6704 PWs) bands (ev): -17.5370 -17.5370 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2173 -11.2173 -7.0968 -7.0968 -7.0098 -7.0098 -7.0091 -7.0091 -4.9040 -4.9040 -4.8728 -4.8728 -4.7522 -4.7522 -4.7434 -4.7434 -3.6471 -3.6471 -3.3391 -3.3391 -3.3342 -3.3342 -3.2983 -3.2983 -3.2931 -3.2931 -3.1044 -3.1044 -2.9918 -2.9918 -2.9907 -2.9907 -1.1601 -1.1601 -1.1143 -1.1143 -0.3199 -0.3199 -0.2366 -0.2366 -0.0655 -0.0655 4.4760 4.4760 4.5464 4.5464 4.5492 4.5492 4.6353 4.6353 4.8188 4.8188 k = 0.5000 0.5000 0.0357 ( 6696 PWs) bands (ev): -17.5369 -17.5369 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2174 -11.2174 -7.0962 -7.0962 -7.0100 -7.0100 -7.0093 -7.0093 -4.9167 -4.9167 -4.8620 -4.8620 -4.7523 -4.7523 -4.7434 -4.7434 -3.6454 -3.6454 -3.3402 -3.3402 -3.3353 -3.3353 -3.2982 -3.2982 -3.2931 -3.2931 -3.1015 -3.1015 -2.9909 -2.9909 -2.9896 -2.9896 -1.1607 -1.1607 -1.1153 -1.1153 -0.3202 -0.3202 -0.2377 -0.2377 -0.0665 -0.0665 4.4775 4.4775 4.5473 4.5473 4.5501 4.5501 4.6370 4.6370 4.8189 4.8189 k = 0.5000 0.5000 0.0536 ( 6688 PWs) bands (ev): -17.5368 -17.5368 -17.4210 -17.4210 -17.4205 -17.4205 -17.4165 -17.4165 -11.2177 -11.2177 -7.0952 -7.0952 -7.0103 -7.0103 -7.0097 -7.0097 -4.9307 -4.9307 -4.8512 -4.8512 -4.7524 -4.7524 -4.7433 -4.7433 -3.6426 -3.6426 -3.3431 -3.3431 -3.3358 -3.3358 -3.2981 -3.2981 -3.2932 -3.2932 -3.0967 -3.0967 -2.9894 -2.9894 -2.9878 -2.9878 -1.1616 -1.1616 -1.1169 -1.1169 -0.3206 -0.3206 -0.2397 -0.2397 -0.0682 -0.0682 4.4799 4.4799 4.5489 4.5489 4.5517 4.5517 4.6399 4.6399 4.8192 4.8192 k = 0.5000 0.5000 0.0714 ( 6672 PWs) bands (ev): -17.5367 -17.5367 -17.4209 -17.4209 -17.4204 -17.4204 -17.4166 -17.4166 -11.2180 -11.2180 -7.0939 -7.0939 -7.0109 -7.0109 -7.0101 -7.0101 -4.9453 -4.9453 -4.8409 -4.8409 -4.7527 -4.7527 -4.7433 -4.7433 -3.6387 -3.6387 -3.3477 -3.3477 -3.3356 -3.3356 -3.2981 -3.2981 -3.2933 -3.2933 -3.0903 -3.0903 -2.9872 -2.9872 -2.9854 -2.9854 -1.1630 -1.1630 -1.1192 -1.1192 -0.3213 -0.3213 -0.2423 -0.2423 -0.0704 -0.0704 4.4832 4.4832 4.5509 4.5509 4.5538 4.5538 4.6439 4.6439 4.8195 4.8195 k = 0.5000 0.5000 0.0893 ( 6676 PWs) bands (ev): -17.5365 -17.5365 -17.4209 -17.4209 -17.4204 -17.4204 -17.4167 -17.4167 -11.2184 -11.2184 -7.0922 -7.0922 -7.0115 -7.0115 -7.0107 -7.0107 -4.9604 -4.9604 -4.8312 -4.8312 -4.7530 -4.7530 -4.7432 -4.7432 -3.6338 -3.6338 -3.3535 -3.3535 -3.3350 -3.3350 -3.2981 -3.2981 -3.2935 -3.2935 -3.0825 -3.0825 -2.9844 -2.9844 -2.9824 -2.9824 -1.1648 -1.1648 -1.1222 -1.1222 -0.3222 -0.3222 -0.2456 -0.2456 -0.0733 -0.0733 4.4874 4.4874 4.5536 4.5536 4.5565 4.5565 4.6489 4.6489 4.8199 4.8199 k = 0.5000 0.5000 0.1071 ( 6676 PWs) bands (ev): -17.5363 -17.5363 -17.4209 -17.4209 -17.4204 -17.4204 -17.4168 -17.4168 -11.2188 -11.2188 -7.0902 -7.0902 -7.0123 -7.0123 -7.0114 -7.0114 -4.9760 -4.9760 -4.8223 -4.8223 -4.7533 -4.7533 -4.7431 -4.7431 -3.6280 -3.6280 -3.3600 -3.3600 -3.3342 -3.3342 -3.2982 -3.2982 -3.2936 -3.2936 -3.0735 -3.0735 -2.9811 -2.9811 -2.9789 -2.9789 -1.1669 -1.1669 -1.1257 -1.1257 -0.3232 -0.3232 -0.2497 -0.2497 -0.0767 -0.0767 4.4924 4.4924 4.5567 4.5567 4.5597 4.5597 4.6549 4.6549 4.8204 4.8204 k = 0.5000 0.5000 0.1250 ( 6668 PWs) bands (ev): -17.5361 -17.5361 -17.4209 -17.4209 -17.4204 -17.4204 -17.4170 -17.4170 -11.2194 -11.2194 -7.0878 -7.0878 -7.0131 -7.0131 -7.0123 -7.0123 -4.9917 -4.9917 -4.8141 -4.8141 -4.7537 -4.7537 -4.7430 -4.7430 -3.6213 -3.6213 -3.3671 -3.3671 -3.3332 -3.3332 -3.2983 -3.2983 -3.2938 -3.2938 -3.0636 -3.0636 -2.9773 -2.9773 -2.9749 -2.9749 -1.1693 -1.1693 -1.1297 -1.1297 -0.3245 -0.3245 -0.2543 -0.2543 -0.0806 -0.0806 4.4983 4.4983 4.5604 4.5604 4.5635 4.5635 4.6618 4.6618 4.8210 4.8210 k = 0.5000 0.5000 0.1429 ( 6684 PWs) bands (ev): -17.5359 -17.5359 -17.4209 -17.4209 -17.4204 -17.4204 -17.4171 -17.4171 -11.2200 -11.2200 -7.0852 -7.0852 -7.0141 -7.0141 -7.0132 -7.0132 -5.0076 -5.0076 -4.8066 -4.8066 -4.7541 -4.7541 -4.7429 -4.7429 -3.6139 -3.6139 -3.3746 -3.3746 -3.3322 -3.3322 -3.2984 -3.2984 -3.2940 -3.2940 -3.0531 -3.0531 -2.9730 -2.9730 -2.9704 -2.9704 -1.1721 -1.1721 -1.1343 -1.1343 -0.3259 -0.3259 -0.2595 -0.2595 -0.0850 -0.0850 4.5049 4.5049 4.5644 4.5644 4.5676 4.5676 4.6696 4.6696 4.8216 4.8216 k = 0.5000 0.5000 0.1607 ( 6696 PWs) bands (ev): -17.5357 -17.5357 -17.4209 -17.4209 -17.4204 -17.4204 -17.4173 -17.4173 -11.2206 -11.2206 -7.0823 -7.0823 -7.0152 -7.0152 -7.0142 -7.0142 -5.0236 -5.0236 -4.7999 -4.7999 -4.7546 -4.7546 -4.7428 -4.7428 -3.6057 -3.6057 -3.3822 -3.3822 -3.3310 -3.3310 -3.2986 -3.2986 -3.2942 -3.2942 -3.0420 -3.0420 -2.9682 -2.9682 -2.9656 -2.9656 -1.1751 -1.1751 -1.1393 -1.1393 -0.3275 -0.3275 -0.2652 -0.2652 -0.0897 -0.0897 4.5121 4.5121 4.5689 4.5689 4.5721 4.5721 4.6783 4.6783 4.8222 4.8222 k = 0.5000 0.5000 0.1786 ( 6696 PWs) bands (ev): -17.5354 -17.5354 -17.4208 -17.4208 -17.4203 -17.4203 -17.4175 -17.4175 -11.2214 -11.2214 -7.0792 -7.0792 -7.0163 -7.0163 -7.0153 -7.0153 -5.0395 -5.0395 -4.7938 -4.7938 -4.7551 -4.7551 -4.7427 -4.7427 -3.5970 -3.5970 -3.3899 -3.3899 -3.3297 -3.3297 -3.2987 -3.2987 -3.2945 -3.2945 -3.0305 -3.0305 -2.9632 -2.9632 -2.9604 -2.9604 -1.1784 -1.1784 -1.1447 -1.1447 -0.3292 -0.3292 -0.2712 -0.2712 -0.0947 -0.0947 4.5200 4.5200 4.5736 4.5736 4.5769 4.5769 4.6876 4.6876 4.8230 4.8230 k = 0.5000 0.5000 0.1964 ( 6692 PWs) bands (ev): -17.5351 -17.5351 -17.4208 -17.4208 -17.4203 -17.4203 -17.4176 -17.4176 -11.2221 -11.2221 -7.0759 -7.0759 -7.0175 -7.0175 -7.0164 -7.0164 -5.0553 -5.0553 -4.7885 -4.7885 -4.7555 -4.7555 -4.7425 -4.7425 -3.5879 -3.5879 -3.3975 -3.3975 -3.3283 -3.3283 -3.2988 -3.2988 -3.2947 -3.2947 -3.0188 -3.0188 -2.9578 -2.9578 -2.9550 -2.9550 -1.1818 -1.1818 -1.1505 -1.1505 -0.3311 -0.3311 -0.2776 -0.2776 -0.1000 -0.1000 4.5284 4.5284 4.5787 4.5787 4.5820 4.5820 4.6975 4.6975 4.8237 4.8237 k = 0.5000 0.5000 0.2143 ( 6684 PWs) bands (ev): -17.5348 -17.5348 -17.4208 -17.4208 -17.4203 -17.4203 -17.4178 -17.4178 -11.2229 -11.2229 -7.0725 -7.0725 -7.0188 -7.0188 -7.0176 -7.0176 -5.0708 -5.0708 -4.7837 -4.7837 -4.7560 -4.7560 -4.7423 -4.7423 -3.5783 -3.5783 -3.4050 -3.4050 -3.3269 -3.3269 -3.2989 -3.2989 -3.2950 -3.2950 -3.0071 -3.0071 -2.9522 -2.9522 -2.9495 -2.9495 -1.1854 -1.1854 -1.1565 -1.1565 -0.3331 -0.3331 -0.2843 -0.2843 -0.1054 -0.1054 4.5372 4.5372 4.5839 4.5839 4.5872 4.5872 4.7079 4.7079 4.8245 4.8245 k = 0.5000 0.5000 0.2321 ( 6688 PWs) bands (ev): -17.5345 -17.5345 -17.4208 -17.4208 -17.4202 -17.4202 -17.4180 -17.4180 -11.2237 -11.2237 -7.0689 -7.0689 -7.0201 -7.0201 -7.0188 -7.0188 -5.0860 -5.0860 -4.7797 -4.7797 -4.7565 -4.7565 -4.7420 -4.7420 -3.5686 -3.5686 -3.4123 -3.4123 -3.3255 -3.3255 -3.2989 -3.2989 -3.2952 -3.2952 -2.9954 -2.9954 -2.9465 -2.9465 -2.9438 -2.9438 -1.1892 -1.1892 -1.1627 -1.1627 -0.3352 -0.3352 -0.2912 -0.2912 -0.1109 -0.1109 4.5463 4.5463 4.5892 4.5892 4.5926 4.5926 4.7186 4.7186 4.8253 4.8253 k = 0.5000 0.5000 0.2500 ( 6696 PWs) bands (ev): -17.5341 -17.5341 -17.4207 -17.4207 -17.4202 -17.4202 -17.4182 -17.4182 -11.2245 -11.2245 -7.0653 -7.0653 -7.0214 -7.0214 -7.0201 -7.0201 -5.1007 -5.1007 -4.7761 -4.7761 -4.7571 -4.7571 -4.7417 -4.7417 -3.5588 -3.5588 -3.4193 -3.4193 -3.3240 -3.3240 -3.2989 -3.2989 -3.2955 -3.2955 -2.9839 -2.9839 -2.9407 -2.9407 -2.9380 -2.9380 -1.1930 -1.1930 -1.1690 -1.1690 -0.3374 -0.3374 -0.2981 -0.2981 -0.1164 -0.1164 4.5556 4.5556 4.5946 4.5946 4.5980 4.5980 4.7296 4.7296 4.8262 4.8262 k = 0.5000 0.5000 0.2679 ( 6688 PWs) bands (ev): -17.5338 -17.5338 -17.4207 -17.4207 -17.4202 -17.4202 -17.4184 -17.4184 -11.2253 -11.2253 -7.0616 -7.0616 -7.0227 -7.0227 -7.0213 -7.0213 -5.1149 -5.1149 -4.7732 -4.7732 -4.7575 -4.7575 -4.7414 -4.7414 -3.5489 -3.5489 -3.4259 -3.4259 -3.3226 -3.3226 -3.2989 -3.2989 -3.2957 -3.2957 -2.9727 -2.9727 -2.9350 -2.9350 -2.9323 -2.9323 -1.1968 -1.1968 -1.1754 -1.1754 -0.3396 -0.3396 -0.3051 -0.3051 -0.1218 -0.1218 4.5650 4.5650 4.6000 4.6000 4.6034 4.6034 4.7407 4.7407 4.8270 4.8270 k = 0.5000 0.5000 0.2857 ( 6684 PWs) bands (ev): -17.5335 -17.5335 -17.4207 -17.4207 -17.4201 -17.4201 -17.4186 -17.4186 -11.2261 -11.2261 -7.0580 -7.0580 -7.0239 -7.0239 -7.0225 -7.0225 -5.1285 -5.1285 -4.7707 -4.7707 -4.7580 -4.7580 -4.7410 -4.7410 -3.5392 -3.5392 -3.4322 -3.4322 -3.3211 -3.3211 -3.2989 -3.2989 -3.2959 -3.2959 -2.9619 -2.9619 -2.9293 -2.9293 -2.9266 -2.9266 -1.2005 -1.2005 -1.1817 -1.1817 -0.3419 -0.3419 -0.3119 -0.3119 -0.1271 -0.1271 4.5744 4.5744 4.6054 4.6054 4.6087 4.6087 4.7518 4.7518 4.8278 4.8278 k = 0.5000 0.5000 0.3036 ( 6708 PWs) bands (ev): -17.5332 -17.5332 -17.4207 -17.4207 -17.4201 -17.4201 -17.4188 -17.4188 -11.2269 -11.2269 -7.0545 -7.0545 -7.0252 -7.0252 -7.0237 -7.0237 -5.1414 -5.1414 -4.7687 -4.7687 -4.7585 -4.7585 -4.7407 -4.7407 -3.5298 -3.5298 -3.4381 -3.4381 -3.3198 -3.3198 -3.2988 -3.2988 -3.2962 -3.2962 -2.9516 -2.9516 -2.9238 -2.9238 -2.9211 -2.9211 -1.2043 -1.2043 -1.1879 -1.1879 -0.3443 -0.3443 -0.3187 -0.3187 -0.1323 -0.1323 4.5836 4.5836 4.6106 4.6106 4.6138 4.6138 4.7627 4.7627 4.8286 4.8286 k = 0.5000 0.5000 0.3214 ( 6708 PWs) bands (ev): -17.5329 -17.5329 -17.4207 -17.4207 -17.4201 -17.4201 -17.4190 -17.4190 -11.2276 -11.2276 -7.0511 -7.0511 -7.0263 -7.0263 -7.0249 -7.0249 -5.1535 -5.1535 -4.7670 -4.7670 -4.7590 -4.7590 -4.7403 -4.7403 -3.5207 -3.5207 -3.4436 -3.4436 -3.3184 -3.3184 -3.2987 -3.2987 -3.2964 -3.2964 -2.9419 -2.9419 -2.9185 -2.9185 -2.9158 -2.9158 -1.2079 -1.2079 -1.1939 -1.1939 -0.3466 -0.3466 -0.3251 -0.3251 -0.1371 -0.1371 4.5925 4.5925 4.6156 4.6156 4.6188 4.6188 4.7733 4.7733 4.8294 4.8294 k = 0.5000 0.5000 0.3393 ( 6704 PWs) bands (ev): -17.5326 -17.5326 -17.4206 -17.4206 -17.4200 -17.4200 -17.4192 -17.4192 -11.2283 -11.2283 -7.0478 -7.0478 -7.0275 -7.0275 -7.0259 -7.0259 -5.1647 -5.1647 -4.7657 -4.7657 -4.7594 -4.7594 -4.7398 -4.7398 -3.5121 -3.5121 -3.4486 -3.4486 -3.3172 -3.3172 -3.2986 -3.2986 -3.2967 -3.2967 -2.9328 -2.9328 -2.9135 -2.9135 -2.9108 -2.9108 -1.2113 -1.2113 -1.1996 -1.1996 -0.3488 -0.3488 -0.3312 -0.3312 -0.1416 -0.1416 4.6011 4.6011 4.6203 4.6203 4.6234 4.6234 4.7834 4.7834 4.8301 4.8301 k = 0.5000 0.5000 0.3571 ( 6712 PWs) bands (ev): -17.5323 -17.5323 -17.4206 -17.4206 -17.4200 -17.4200 -17.4194 -17.4194 -11.2290 -11.2290 -7.0448 -7.0448 -7.0285 -7.0285 -7.0269 -7.0269 -5.1749 -5.1749 -4.7646 -4.7646 -4.7598 -4.7598 -4.7395 -4.7395 -3.5041 -3.5041 -3.4531 -3.4531 -3.3160 -3.3160 -3.2986 -3.2986 -3.2969 -3.2969 -2.9246 -2.9246 -2.9088 -2.9088 -2.9061 -2.9061 -1.2145 -1.2145 -1.2050 -1.2050 -0.3510 -0.3510 -0.3369 -0.3369 -0.1458 -0.1458 4.6091 4.6091 4.6247 4.6247 4.6278 4.6278 4.7929 4.7929 4.8308 4.8308 k = 0.5000 0.5000 0.3750 ( 6720 PWs) bands (ev): -17.5321 -17.5321 -17.4206 -17.4206 -17.4200 -17.4200 -17.4195 -17.4195 -11.2296 -11.2296 -7.0420 -7.0420 -7.0294 -7.0294 -7.0279 -7.0279 -5.1841 -5.1841 -4.7638 -4.7638 -4.7601 -4.7601 -4.7391 -4.7391 -3.4967 -3.4967 -3.4572 -3.4572 -3.3149 -3.3149 -3.2985 -3.2985 -3.2972 -3.2972 -2.9172 -2.9172 -2.9044 -2.9044 -2.9018 -2.9018 -1.2174 -1.2174 -1.2099 -1.2099 -0.3530 -0.3530 -0.3421 -0.3421 -0.1495 -0.1495 4.6165 4.6165 4.6287 4.6287 4.6317 4.6317 4.8017 4.8017 4.8314 4.8314 k = 0.5000 0.5000 0.3929 ( 6728 PWs) bands (ev): -17.5319 -17.5319 -17.4206 -17.4206 -17.4200 -17.4200 -17.4196 -17.4196 -11.2301 -11.2301 -7.0395 -7.0395 -7.0302 -7.0302 -7.0287 -7.0287 -5.1923 -5.1923 -4.7632 -4.7632 -4.7605 -4.7605 -4.7388 -4.7388 -3.4901 -3.4901 -3.4607 -3.4607 -3.3140 -3.3140 -3.2984 -3.2984 -3.2974 -3.2974 -2.9108 -2.9108 -2.9003 -2.9003 -2.8979 -2.8979 -1.2200 -1.2200 -1.2144 -1.2144 -0.3548 -0.3548 -0.3468 -0.3468 -0.1529 -0.1529 4.6231 4.6231 4.6323 4.6323 4.6352 4.6352 4.8096 4.8096 4.8320 4.8320 k = 0.5000 0.5000 0.4107 ( 6740 PWs) bands (ev): -17.5317 -17.5317 -17.4207 -17.4207 -17.4200 -17.4200 -17.4197 -17.4197 -11.2306 -11.2306 -7.0374 -7.0374 -7.0309 -7.0309 -7.0294 -7.0294 -5.1992 -5.1992 -4.7627 -4.7627 -4.7608 -4.7608 -4.7385 -4.7385 -3.4844 -3.4844 -3.4637 -3.4637 -3.3131 -3.3131 -3.2984 -3.2984 -3.2976 -3.2976 -2.9054 -2.9054 -2.8967 -2.8967 -2.8946 -2.8946 -1.2224 -1.2224 -1.2182 -1.2182 -0.3565 -0.3565 -0.3508 -0.3508 -0.1557 -0.1557 4.6288 4.6288 4.6355 4.6355 4.6382 4.6382 4.8165 4.8165 4.8324 4.8324 k = 0.5000 0.5000 0.4286 ( 6740 PWs) bands (ev): -17.5315 -17.5315 -17.4207 -17.4207 -17.4200 -17.4200 -17.4198 -17.4198 -11.2310 -11.2310 -7.0357 -7.0357 -7.0314 -7.0314 -7.0300 -7.0300 -5.2050 -5.2050 -4.7624 -4.7624 -4.7610 -4.7610 -4.7382 -4.7382 -3.4795 -3.4795 -3.4662 -3.4662 -3.3124 -3.3124 -3.2983 -3.2983 -3.2978 -3.2978 -2.9012 -2.9012 -2.8934 -2.8934 -2.8918 -2.8918 -1.2243 -1.2243 -1.2215 -1.2215 -0.3579 -0.3579 -0.3542 -0.3542 -0.1581 -0.1581 4.6336 4.6336 4.6383 4.6383 4.6407 4.6407 4.8223 4.8223 4.8328 4.8328 k = 0.5000 0.5000 0.4464 ( 6740 PWs) bands (ev): -17.5314 -17.5314 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2313 -11.2313 -7.0345 -7.0345 -7.0316 -7.0316 -7.0305 -7.0305 -5.2095 -5.2095 -4.7621 -4.7621 -4.7612 -4.7612 -4.7380 -4.7380 -3.4757 -3.4757 -3.4681 -3.4681 -3.3119 -3.3119 -3.2983 -3.2983 -3.2979 -3.2979 -2.8980 -2.8980 -2.8906 -2.8906 -2.8895 -2.8895 -1.2258 -1.2258 -1.2240 -1.2240 -0.3590 -0.3590 -0.3569 -0.3569 -0.1599 -0.1599 4.6372 4.6372 4.6406 4.6406 4.6427 4.6427 4.8269 4.8269 4.8332 4.8332 k = 0.5000 0.5000 0.4643 ( 6740 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2315 -11.2315 -7.0340 -7.0340 -7.0315 -7.0315 -7.0308 -7.0308 -5.2128 -5.2128 -4.7619 -4.7619 -4.7614 -4.7614 -4.7379 -4.7379 -3.4729 -3.4729 -3.4695 -3.4695 -3.3115 -3.3115 -3.2982 -3.2982 -3.2981 -3.2981 -2.8959 -2.8959 -2.8885 -2.8885 -2.8879 -2.8879 -1.2269 -1.2269 -1.2259 -1.2259 -0.3598 -0.3598 -0.3588 -0.3588 -0.1612 -0.1612 4.6397 4.6397 4.6426 4.6426 4.6441 4.6441 4.8303 4.8303 4.8334 4.8334 k = 0.5000 0.5000 0.4821 ( 6740 PWs) bands (ev): -17.5313 -17.5313 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2316 -11.2316 -7.0338 -7.0338 -7.0312 -7.0312 -7.0310 -7.0310 -5.2148 -5.2148 -4.7618 -4.7618 -4.7615 -4.7615 -4.7378 -4.7378 -3.4712 -3.4712 -3.4703 -3.4703 -3.3112 -3.3112 -3.2982 -3.2982 -3.2981 -3.2981 -2.8946 -2.8946 -2.8871 -2.8871 -2.8870 -2.8870 -1.2275 -1.2275 -1.2271 -1.2271 -0.3603 -0.3603 -0.3600 -0.3600 -0.1620 -0.1620 4.6410 4.6410 4.6440 4.6440 4.6448 4.6448 4.8323 4.8323 4.8335 4.8335 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -17.5312 -17.5312 -17.4207 -17.4207 -17.4199 -17.4199 -17.4199 -17.4199 -11.2317 -11.2317 -7.0338 -7.0338 -7.0311 -7.0311 -7.0311 -7.0311 -5.2154 -5.2154 -4.7616 -4.7616 -4.7616 -4.7616 -4.7377 -4.7377 -3.4706 -3.4706 -3.4706 -3.4706 -3.3111 -3.3111 -3.2982 -3.2982 -3.2982 -3.2982 -2.8942 -2.8942 -2.8867 -2.8867 -2.8867 -2.8867 -1.2275 -1.2275 -1.2275 -1.2275 -0.3604 -0.3604 -0.3604 -0.3604 -0.1623 -0.1623 4.6414 4.6414 4.6448 4.6448 4.6448 4.6448 4.8333 4.8333 4.8333 4.8333 Writing output data file AgBxCNx4.save init_run : 1.07s CPU 0.65s WALL ( 1 calls) electrons : 202.34s CPU 138.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.14s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 202.34s CPU 138.83s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.43s CPU 0.38s WALL ( 216 calls) cegterg : 165.29s CPU 116.92s WALL ( 216 calls) Called by sum_band: Called by *egterg: h_psi : 125.63s CPU 78.41s WALL ( 3373 calls) s_psi : 8.20s CPU 5.53s WALL ( 3373 calls) g_psi : 0.27s CPU 0.24s WALL ( 2941 calls) cdiaghg : 39.50s CPU 32.40s WALL ( 3157 calls) cegterg:over : 8.86s CPU 6.62s WALL ( 2941 calls) cegterg:upda : 7.40s CPU 5.51s WALL ( 2941 calls) cegterg:last : 3.17s CPU 2.93s WALL ( 648 calls) cdiaghg:chol : 2.26s CPU 1.88s WALL ( 3157 calls) cdiaghg:inve : 1.39s CPU 1.19s WALL ( 3157 calls) cdiaghg:para : 2.40s CPU 1.96s WALL ( 6314 calls) Called by h_psi: h_psi:vloc : 108.48s CPU 66.91s WALL ( 3373 calls) h_psi:vnl : 16.79s CPU 11.24s WALL ( 3373 calls) add_vuspsi : 8.48s CPU 5.58s WALL ( 3373 calls) General routines calbec : 8.28s CPU 5.65s WALL ( 3373 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 100.68s CPU 61.57s WALL ( 524988 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.17s CPU 1.46s WALL ( 432 calls) Parallel routines fft_scatter : 43.31s CPU 28.98s WALL ( 525011 calls) PWSCF : 3m40.35s CPU 2m44.98s WALL This run was terminated on: 2:37:30 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=