Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:25:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SixCN2x2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 26 7 2217 862 133 Max 50 27 8 2220 889 138 Sum 3569 1901 553 159699 62933 9771 bravais-lattice index = 14 lattice parameter (alat) = 11.6946 a.u. unit-cell volume = 1599.3838 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.694569 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found (36 have fractional translation) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 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 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 200 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 2) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0050000 k( 3) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0050000 k( 4) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0050000 k( 5) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0050000 k( 6) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0050000 k( 7) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0050000 k( 8) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0050000 k( 9) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0050000 k( 10) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0050000 k( 11) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0050000 k( 12) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0050000 k( 13) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0050000 k( 14) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0050000 k( 15) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0050000 k( 16) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0050000 k( 17) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0050000 k( 18) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0050000 k( 19) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0050000 k( 20) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0050000 k( 21) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0050000 k( 22) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0050000 k( 23) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0050000 k( 24) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0050000 k( 25) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0050000 k( 26) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0050000 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050000 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050000 k( 29) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0050000 k( 30) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0050000 k( 31) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0050000 k( 32) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0050000 k( 33) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0050000 k( 34) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0050000 k( 35) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0050000 k( 36) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0050000 k( 37) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0050000 k( 38) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0050000 k( 39) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0050000 k( 40) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0050000 k( 41) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0050000 k( 42) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0050000 k( 43) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0050000 k( 44) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0050000 k( 45) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0050000 k( 46) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0050000 k( 47) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0050000 k( 48) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0050000 k( 49) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0050000 k( 50) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0050000 k( 51) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0050000 k( 52) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0050000 k( 53) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0050000 k( 54) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050000 k( 55) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050000 k( 56) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0050000 k( 57) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0050000 k( 58) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0050000 k( 59) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0050000 k( 60) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0050000 k( 61) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0050000 k( 62) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0050000 k( 63) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0050000 k( 64) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0050000 k( 65) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0050000 k( 66) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0050000 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0050000 k( 68) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0050000 k( 69) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050000 k( 70) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0050000 k( 71) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0050000 k( 72) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0050000 k( 73) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0050000 k( 74) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0050000 k( 75) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0050000 k( 76) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0050000 k( 77) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0050000 k( 78) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0050000 k( 79) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0050000 k( 80) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050000 k( 81) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0050000 k( 82) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0050000 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0050000 k( 84) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0050000 k( 85) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0050000 k( 86) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0050000 k( 87) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0050000 k( 88) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0050000 k( 89) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0050000 k( 90) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0050000 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 93) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050000 k( 94) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050000 k( 95) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050000 k( 96) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0050000 k( 97) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050000 k( 98) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050000 k( 99) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0050000 k( 100) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050000 k( 101) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050000 k( 102) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050000 k( 103) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050000 k( 104) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050000 k( 105) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050000 k( 106) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050000 k( 107) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0050000 k( 108) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050000 k( 109) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050000 k( 110) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050000 k( 111) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050000 k( 112) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050000 k( 113) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050000 k( 114) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050000 k( 115) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050000 k( 116) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050000 k( 117) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050000 k( 118) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050000 k( 119) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050000 k( 120) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050000 k( 121) = ( 0.3295455 0.3295454 0.3295454), wk = 0.0050000 k( 122) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050000 k( 123) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050000 k( 124) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050000 k( 125) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050000 k( 126) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050000 k( 127) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050000 k( 128) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050000 k( 129) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050000 k( 130) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050000 k( 131) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050000 k( 132) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0050000 k( 133) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050000 k( 134) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050000 k( 135) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050000 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 138) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050000 k( 139) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050000 k( 140) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050000 k( 141) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050000 k( 142) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050000 k( 143) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050000 k( 144) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050000 k( 145) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050000 k( 146) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050000 k( 147) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050000 k( 148) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050000 k( 149) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050000 k( 150) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050000 k( 151) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050000 k( 152) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050000 k( 153) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050000 k( 154) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050000 k( 155) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050000 k( 156) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050000 k( 157) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050000 k( 158) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050000 k( 159) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050000 k( 160) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050000 k( 161) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050000 k( 162) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050000 k( 163) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050000 k( 164) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050000 k( 165) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050000 k( 166) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050000 k( 167) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050000 k( 168) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050000 k( 169) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050000 k( 170) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050000 k( 171) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050000 k( 172) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050000 k( 173) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050000 k( 174) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050000 k( 175) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0050000 k( 176) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0050000 k( 177) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0050000 k( 178) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0050000 k( 179) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0050000 k( 180) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0050000 k( 181) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0050000 k( 182) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0050000 k( 183) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0050000 k( 184) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0050000 k( 185) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0050000 k( 186) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0050000 k( 187) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0050000 k( 188) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0050000 k( 189) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0050000 k( 190) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0050000 k( 191) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0050000 k( 192) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0050000 k( 193) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0050000 k( 194) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0050000 k( 195) = ( 0.5000000 0.5000000 0.4038461), wk = 0.0050000 k( 196) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0050000 k( 197) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0050000 k( 198) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0050000 k( 199) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0050000 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 2) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0050000 k( 3) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0050000 k( 4) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0050000 k( 5) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0050000 k( 6) = ( 0.0000000 0.0961538 0.0000000), wk = 0.0050000 k( 7) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0050000 k( 8) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0050000 k( 9) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0050000 k( 10) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0050000 k( 11) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0050000 k( 12) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0050000 k( 13) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0050000 k( 14) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0050000 k( 15) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0050000 k( 16) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0050000 k( 17) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0050000 k( 18) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0050000 k( 19) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0050000 k( 20) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0050000 k( 21) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0050000 k( 22) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0050000 k( 23) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0050000 k( 24) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0050000 k( 25) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0050000 k( 26) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0050000 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050000 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050000 k( 29) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0050000 k( 30) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0050000 k( 31) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0050000 k( 32) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0050000 k( 33) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0050000 k( 34) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0050000 k( 35) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0050000 k( 36) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0050000 k( 37) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0050000 k( 38) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0050000 k( 39) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0050000 k( 40) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0050000 k( 41) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0050000 k( 42) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0050000 k( 43) = ( 0.2884615 0.5000000 0.0000000), wk = 0.0050000 k( 44) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0050000 k( 45) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0050000 k( 46) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0050000 k( 47) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0050000 k( 48) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0050000 k( 49) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0050000 k( 50) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0050000 k( 51) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0050000 k( 52) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0050000 k( 53) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0050000 k( 54) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050000 k( 55) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050000 k( 56) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0050000 k( 57) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0050000 k( 58) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0050000 k( 59) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0050000 k( 60) = ( 0.4305556 0.4305556 0.0000000), wk = 0.0050000 k( 61) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0050000 k( 62) = ( 0.4027778 0.4027778 0.0000000), wk = 0.0050000 k( 63) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0050000 k( 64) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0050000 k( 65) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0050000 k( 66) = ( 0.3472222 0.3472222 0.0000000), wk = 0.0050000 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0050000 k( 68) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0050000 k( 69) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050000 k( 70) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0050000 k( 71) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0050000 k( 72) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0050000 k( 73) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0050000 k( 74) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0050000 k( 75) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0050000 k( 76) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0050000 k( 77) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0050000 k( 78) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0050000 k( 79) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0050000 k( 80) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050000 k( 81) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0050000 k( 82) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0050000 k( 83) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0050000 k( 84) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0050000 k( 85) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0050000 k( 86) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0050000 k( 87) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0050000 k( 88) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0050000 k( 89) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0050000 k( 90) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0050000 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050000 k( 93) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050000 k( 94) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050000 k( 95) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050000 k( 96) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0050000 k( 97) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050000 k( 98) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050000 k( 99) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0050000 k( 100) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050000 k( 101) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050000 k( 102) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050000 k( 103) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050000 k( 104) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050000 k( 105) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050000 k( 106) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050000 k( 107) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0050000 k( 108) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050000 k( 109) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050000 k( 110) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050000 k( 111) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050000 k( 112) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050000 k( 113) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050000 k( 114) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050000 k( 115) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050000 k( 116) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050000 k( 117) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050000 k( 118) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050000 k( 119) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050000 k( 120) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050000 k( 121) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0050000 k( 122) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050000 k( 123) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050000 k( 124) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050000 k( 125) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050000 k( 126) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050000 k( 127) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050000 k( 128) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050000 k( 129) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050000 k( 130) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050000 k( 131) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050000 k( 132) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0050000 k( 133) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050000 k( 134) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050000 k( 135) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050000 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 k( 138) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050000 k( 139) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050000 k( 140) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050000 k( 141) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050000 k( 142) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050000 k( 143) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050000 k( 144) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050000 k( 145) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050000 k( 146) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050000 k( 147) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050000 k( 148) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050000 k( 149) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050000 k( 150) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050000 k( 151) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050000 k( 152) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050000 k( 153) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050000 k( 154) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050000 k( 155) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050000 k( 156) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050000 k( 157) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050000 k( 158) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050000 k( 159) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050000 k( 160) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050000 k( 161) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050000 k( 162) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050000 k( 163) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050000 k( 164) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050000 k( 165) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050000 k( 166) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050000 k( 167) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050000 k( 168) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050000 k( 169) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050000 k( 170) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050000 k( 171) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050000 k( 172) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050000 k( 173) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050000 k( 174) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050000 k( 175) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0050000 k( 176) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0050000 k( 177) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0050000 k( 178) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0050000 k( 179) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0050000 k( 180) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0050000 k( 181) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0050000 k( 182) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0050000 k( 183) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0050000 k( 184) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0050000 k( 185) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0050000 k( 186) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0050000 k( 187) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0050000 k( 188) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0050000 k( 189) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0050000 k( 190) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0050000 k( 191) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0050000 k( 192) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0050000 k( 193) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0050000 k( 194) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0050000 k( 195) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0050000 k( 196) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0050000 k( 197) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0050000 k( 198) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0050000 k( 199) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0050000 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050000 Dense grid: 159699 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 62933 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 226, 76) NL pseudopotentials 0.41 Mb ( 113, 236) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2220) G-vector shells 0.00 Mb ( 626) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 226, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.55 Mb ( 236, 2, 76) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./SixCN2x2.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 16.4 secs Computing kpt #: 15 total cpu time spent up to now is 17.9 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.4 secs Computing kpt #: 18 total cpu time spent up to now is 21.6 secs Computing kpt #: 19 total cpu time spent up to now is 22.8 secs Computing kpt #: 20 total cpu time spent up to now is 23.9 secs Computing kpt #: 21 total cpu time spent up to now is 24.9 secs Computing kpt #: 22 total cpu time spent up to now is 26.0 secs Computing kpt #: 23 total cpu time spent up to now is 27.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.9 secs Computing kpt #: 25 total cpu time spent up to now is 28.9 secs Computing kpt #: 26 total cpu time spent up to now is 29.8 secs Computing kpt #: 27 total cpu time spent up to now is 30.8 secs Computing kpt #: 28 total cpu time spent up to now is 31.9 secs Computing kpt #: 29 total cpu time spent up to now is 32.8 secs Computing kpt #: 30 total cpu time spent up to now is 33.8 secs Computing kpt #: 31 total cpu time spent up to now is 34.8 secs Computing kpt #: 32 total cpu time spent up to now is 35.8 secs Computing kpt #: 33 total cpu time spent up to now is 36.7 secs Computing kpt #: 34 total cpu time spent up to now is 37.7 secs Computing kpt #: 35 total cpu time spent up to now is 38.8 secs Computing kpt #: 36 total cpu time spent up to now is 39.8 secs Computing kpt #: 37 total cpu time spent up to now is 40.8 secs Computing kpt #: 38 total cpu time spent up to now is 41.9 secs Computing kpt #: 39 total cpu time spent up to now is 42.9 secs Computing kpt #: 40 total cpu time spent up to now is 44.0 secs Computing kpt #: 41 total cpu time spent up to now is 45.0 secs Computing kpt #: 42 total cpu time spent up to now is 46.0 secs Computing kpt #: 43 total cpu time spent up to now is 47.1 secs Computing kpt #: 44 total cpu time spent up to now is 48.1 secs Computing kpt #: 45 total cpu time spent up to now is 49.1 secs Computing kpt #: 46 total cpu time spent up to now is 50.2 secs Computing kpt #: 47 total cpu time spent up to now is 51.2 secs Computing kpt #: 48 total cpu time spent up to now is 52.3 secs Computing kpt #: 49 total cpu time spent up to now is 53.3 secs Computing kpt #: 50 total cpu time spent up to now is 54.4 secs Computing kpt #: 51 total cpu time spent up to now is 55.4 secs Computing kpt #: 52 total cpu time spent up to now is 56.5 secs Computing kpt #: 53 total cpu time spent up to now is 57.8 secs Computing kpt #: 54 total cpu time spent up to now is 58.9 secs Computing kpt #: 55 total cpu time spent up to now is 60.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.1 secs Computing kpt #: 57 total cpu time spent up to now is 62.2 secs Computing kpt #: 58 total cpu time spent up to now is 63.3 secs Computing kpt #: 59 total cpu time spent up to now is 64.4 secs Computing kpt #: 60 total cpu time spent up to now is 65.7 secs Computing kpt #: 61 total cpu time spent up to now is 67.1 secs Computing kpt #: 62 total cpu time spent up to now is 68.6 secs Computing kpt #: 63 total cpu time spent up to now is 70.1 secs Computing kpt #: 64 total cpu time spent up to now is 71.5 secs Computing kpt #: 65 total cpu time spent up to now is 72.8 secs Computing kpt #: 66 total cpu time spent up to now is 74.1 secs Computing kpt #: 67 total cpu time spent up to now is 75.3 secs Computing kpt #: 68 total cpu time spent up to now is 76.6 secs Computing kpt #: 69 total cpu time spent up to now is 77.9 secs Computing kpt #: 70 total cpu time spent up to now is 79.2 secs Computing kpt #: 71 total cpu time spent up to now is 80.5 secs Computing kpt #: 72 total cpu time spent up to now is 81.7 secs Computing kpt #: 73 total cpu time spent up to now is 82.9 secs Computing kpt #: 74 total cpu time spent up to now is 84.1 secs Computing kpt #: 75 total cpu time spent up to now is 85.1 secs Computing kpt #: 76 total cpu time spent up to now is 86.2 secs Computing kpt #: 77 total cpu time spent up to now is 87.2 secs Computing kpt #: 78 total cpu time spent up to now is 88.2 secs Computing kpt #: 79 total cpu time spent up to now is 89.2 secs Computing kpt #: 80 total cpu time spent up to now is 90.1 secs Computing kpt #: 81 total cpu time spent up to now is 91.0 secs Computing kpt #: 82 total cpu time spent up to now is 92.0 secs Computing kpt #: 83 total cpu time spent up to now is 93.0 secs Computing kpt #: 84 total cpu time spent up to now is 93.9 secs Computing kpt #: 85 total cpu time spent up to now is 94.8 secs Computing kpt #: 86 total cpu time spent up to now is 95.7 secs Computing kpt #: 87 total cpu time spent up to now is 96.6 secs Computing kpt #: 88 total cpu time spent up to now is 97.4 secs Computing kpt #: 89 total cpu time spent up to now is 98.3 secs Computing kpt #: 90 total cpu time spent up to now is 99.1 secs Computing kpt #: 91 total cpu time spent up to now is 100.0 secs Computing kpt #: 92 total cpu time spent up to now is 100.8 secs Computing kpt #: 93 total cpu time spent up to now is 101.7 secs Computing kpt #: 94 total cpu time spent up to now is 102.5 secs Computing kpt #: 95 total cpu time spent up to now is 103.4 secs Computing kpt #: 96 total cpu time spent up to now is 104.3 secs Computing kpt #: 97 total cpu time spent up to now is 105.2 secs Computing kpt #: 98 total cpu time spent up to now is 106.1 secs Computing kpt #: 99 total cpu time spent up to now is 107.0 secs Computing kpt #: 100 total cpu time spent up to now is 107.9 secs Computing kpt #: 101 total cpu time spent up to now is 108.8 secs Computing kpt #: 102 total cpu time spent up to now is 109.8 secs Computing kpt #: 103 total cpu time spent up to now is 110.8 secs Computing kpt #: 104 total cpu time spent up to now is 111.7 secs Computing kpt #: 105 total cpu time spent up to now is 112.7 secs Computing kpt #: 106 total cpu time spent up to now is 113.7 secs Computing kpt #: 107 total cpu time spent up to now is 114.7 secs Computing kpt #: 108 total cpu time spent up to now is 115.7 secs Computing kpt #: 109 total cpu time spent up to now is 116.7 secs Computing kpt #: 110 total cpu time spent up to now is 117.7 secs Computing kpt #: 111 total cpu time spent up to now is 118.7 secs Computing kpt #: 112 total cpu time spent up to now is 119.8 secs Computing kpt #: 113 total cpu time spent up to now is 120.8 secs Computing kpt #: 114 total cpu time spent up to now is 121.8 secs Computing kpt #: 115 total cpu time spent up to now is 122.9 secs Computing kpt #: 116 total cpu time spent up to now is 123.9 secs Computing kpt #: 117 total cpu time spent up to now is 125.0 secs Computing kpt #: 118 total cpu time spent up to now is 126.0 secs Computing kpt #: 119 total cpu time spent up to now is 127.0 secs Computing kpt #: 120 total cpu time spent up to now is 128.1 secs Computing kpt #: 121 total cpu time spent up to now is 129.1 secs Computing kpt #: 122 total cpu time spent up to now is 130.2 secs Computing kpt #: 123 total cpu time spent up to now is 131.2 secs Computing kpt #: 124 total cpu time spent up to now is 132.3 secs Computing kpt #: 125 total cpu time spent up to now is 133.3 secs Computing kpt #: 126 total cpu time spent up to now is 134.5 secs Computing kpt #: 127 total cpu time spent up to now is 135.5 secs Computing kpt #: 128 total cpu time spent up to now is 136.7 secs Computing kpt #: 129 total cpu time spent up to now is 137.9 secs Computing kpt #: 130 total cpu time spent up to now is 139.1 secs Computing kpt #: 131 total cpu time spent up to now is 140.3 secs Computing kpt #: 132 total cpu time spent up to now is 141.6 secs Computing kpt #: 133 total cpu time spent up to now is 142.8 secs Computing kpt #: 134 total cpu time spent up to now is 144.0 secs Computing kpt #: 135 total cpu time spent up to now is 145.7 secs Computing kpt #: 136 total cpu time spent up to now is 146.9 secs Computing kpt #: 137 total cpu time spent up to now is 148.2 secs Computing kpt #: 138 total cpu time spent up to now is 149.4 secs Computing kpt #: 139 total cpu time spent up to now is 150.6 secs Computing kpt #: 140 total cpu time spent up to now is 151.9 secs Computing kpt #: 141 total cpu time spent up to now is 153.1 secs Computing kpt #: 142 total cpu time spent up to now is 154.3 secs Computing kpt #: 143 total cpu time spent up to now is 155.5 secs Computing kpt #: 144 total cpu time spent up to now is 156.7 secs Computing kpt #: 145 total cpu time spent up to now is 157.9 secs Computing kpt #: 146 total cpu time spent up to now is 159.1 secs Computing kpt #: 147 total cpu time spent up to now is 160.3 secs Computing kpt #: 148 total cpu time spent up to now is 161.5 secs Computing kpt #: 149 total cpu time spent up to now is 162.7 secs Computing kpt #: 150 total cpu time spent up to now is 164.0 secs Computing kpt #: 151 total cpu time spent up to now is 165.2 secs Computing kpt #: 152 total cpu time spent up to now is 166.2 secs Computing kpt #: 153 total cpu time spent up to now is 167.3 secs Computing kpt #: 154 total cpu time spent up to now is 168.3 secs Computing kpt #: 155 total cpu time spent up to now is 169.4 secs Computing kpt #: 156 total cpu time spent up to now is 170.4 secs Computing kpt #: 157 total cpu time spent up to now is 171.4 secs Computing kpt #: 158 total cpu time spent up to now is 172.4 secs Computing kpt #: 159 total cpu time spent up to now is 173.5 secs Computing kpt #: 160 total cpu time spent up to now is 174.5 secs Computing kpt #: 161 total cpu time spent up to now is 175.6 secs Computing kpt #: 162 total cpu time spent up to now is 176.6 secs Computing kpt #: 163 total cpu time spent up to now is 177.9 secs Computing kpt #: 164 total cpu time spent up to now is 179.5 secs Computing kpt #: 165 total cpu time spent up to now is 180.6 secs Computing kpt #: 166 total cpu time spent up to now is 181.6 secs Computing kpt #: 167 total cpu time spent up to now is 182.6 secs Computing kpt #: 168 total cpu time spent up to now is 183.6 secs Computing kpt #: 169 total cpu time spent up to now is 184.5 secs Computing kpt #: 170 total cpu time spent up to now is 185.5 secs Computing kpt #: 171 total cpu time spent up to now is 186.5 secs Computing kpt #: 172 total cpu time spent up to now is 187.4 secs Computing kpt #: 173 total cpu time spent up to now is 188.4 secs Computing kpt #: 174 total cpu time spent up to now is 189.5 secs Computing kpt #: 175 total cpu time spent up to now is 190.8 secs Computing kpt #: 176 total cpu time spent up to now is 192.0 secs Computing kpt #: 177 total cpu time spent up to now is 193.3 secs Computing kpt #: 178 total cpu time spent up to now is 194.9 secs Computing kpt #: 179 total cpu time spent up to now is 196.2 secs Computing kpt #: 180 total cpu time spent up to now is 197.5 secs Computing kpt #: 181 total cpu time spent up to now is 198.7 secs Computing kpt #: 182 total cpu time spent up to now is 200.0 secs Computing kpt #: 183 total cpu time spent up to now is 201.3 secs Computing kpt #: 184 total cpu time spent up to now is 202.6 secs Computing kpt #: 185 total cpu time spent up to now is 203.9 secs Computing kpt #: 186 total cpu time spent up to now is 205.2 secs Computing kpt #: 187 total cpu time spent up to now is 206.4 secs Computing kpt #: 188 total cpu time spent up to now is 207.7 secs Computing kpt #: 189 total cpu time spent up to now is 209.0 secs Computing kpt #: 190 total cpu time spent up to now is 210.3 secs Computing kpt #: 191 total cpu time spent up to now is 211.6 secs Computing kpt #: 192 total cpu time spent up to now is 212.9 secs Computing kpt #: 193 total cpu time spent up to now is 214.1 secs Computing kpt #: 194 total cpu time spent up to now is 215.3 secs Computing kpt #: 195 total cpu time spent up to now is 216.5 secs Computing kpt #: 196 total cpu time spent up to now is 218.1 secs Computing kpt #: 197 total cpu time spent up to now is 219.3 secs Computing kpt #: 198 total cpu time spent up to now is 221.0 secs Computing kpt #: 199 total cpu time spent up to now is 222.2 secs Computing kpt #: 200 total cpu time spent up to now is 223.5 secs ethr = 1.56E-08, avg # of iterations = 20.4 total cpu time spent up to now is 223.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -18.8666 -18.8666 -18.3925 -18.3925 -18.3907 -18.3907 -18.3907 -18.3907 -17.3654 -17.3654 -16.5668 -16.5668 -16.5638 -16.5638 -16.5638 -16.5638 -11.5682 -11.5682 -10.6505 -10.6505 -7.7900 -7.7900 -7.7695 -7.7695 -7.7695 -7.7695 -7.2905 -7.2905 -7.2729 -7.2729 -7.2729 -7.2729 -5.4112 -5.4112 -5.4112 -5.4112 -4.8671 -4.8671 -4.8558 -4.8558 -4.8558 -4.8558 -4.6277 -4.6277 -4.6208 -4.6208 -4.6208 -4.6208 -1.4280 -1.4280 -1.4158 -1.4158 -1.4158 -1.4158 -1.3103 -1.3103 -1.3103 -1.3103 0.6315 0.6315 0.6415 0.6415 0.6415 0.6415 4.8506 4.8506 5.9312 5.9312 5.9451 5.9451 5.9451 5.9451 7.1046 7.1046 7.1046 7.1046 k = 0.0000 0.0192-0.0000 ( 7877 PWs) bands (ev): -18.8663 -18.8663 -18.3928 -18.3928 -18.3911 -18.3911 -18.3907 -18.3907 -17.3645 -17.3645 -16.5671 -16.5671 -16.5642 -16.5642 -16.5638 -16.5638 -11.5674 -11.5674 -10.6514 -10.6514 -7.7900 -7.7900 -7.7698 -7.7698 -7.7691 -7.7691 -7.2903 -7.2903 -7.2730 -7.2730 -7.2725 -7.2725 -5.4107 -5.4107 -5.4106 -5.4106 -4.8673 -4.8673 -4.8561 -4.8561 -4.8558 -4.8558 -4.6283 -4.6283 -4.6216 -4.6216 -4.6212 -4.6212 -1.4270 -1.4270 -1.4151 -1.4151 -1.4144 -1.4144 -1.3103 -1.3103 -1.3085 -1.3085 0.6297 0.6297 0.6396 0.6396 0.6398 0.6398 4.8523 4.8523 5.9330 5.9330 5.9464 5.9464 5.9474 5.9474 7.1023 7.1023 7.1073 7.1073 k = 0.0000 0.0385-0.0000 ( 7889 PWs) bands (ev): -18.8654 -18.8654 -18.3944 -18.3944 -18.3916 -18.3916 -18.3907 -18.3907 -17.3616 -17.3616 -16.5682 -16.5682 -16.5650 -16.5650 -16.5638 -16.5638 -11.5650 -11.5650 -10.6543 -10.6543 -7.7900 -7.7900 -7.7707 -7.7707 -7.7681 -7.7681 -7.2900 -7.2900 -7.2732 -7.2732 -7.2715 -7.2715 -5.4094 -5.4094 -5.4089 -5.4089 -4.8681 -4.8681 -4.8572 -4.8572 -4.8559 -4.8559 -4.6302 -4.6302 -4.6237 -4.6237 -4.6222 -4.6222 -1.4245 -1.4245 -1.4130 -1.4130 -1.4103 -1.4103 -1.3101 -1.3101 -1.3031 -1.3031 0.6243 0.6243 0.6339 0.6339 0.6346 0.6346 4.8577 4.8577 5.9378 5.9378 5.9509 5.9509 5.9542 5.9542 7.0954 7.0954 7.1154 7.1154 k = 0.0000 0.0577-0.0000 ( 7901 PWs) bands (ev): -18.8638 -18.8638 -18.3978 -18.3978 -18.3918 -18.3918 -18.3907 -18.3907 -17.3568 -17.3568 -16.5710 -16.5710 -16.5654 -16.5654 -16.5638 -16.5638 -11.5611 -11.5611 -10.6591 -10.6591 -7.7902 -7.7902 -7.7721 -7.7721 -7.7660 -7.7660 -7.2898 -7.2898 -7.2733 -7.2733 -7.2697 -7.2697 -5.4073 -5.4073 -5.4062 -5.4062 -4.8695 -4.8695 -4.8588 -4.8588 -4.8561 -4.8561 -4.6340 -4.6340 -4.6266 -4.6266 -4.6240 -4.6240 -1.4213 -1.4213 -1.4082 -1.4082 -1.4035 -1.4035 -1.3099 -1.3099 -1.2941 -1.2941 0.6151 0.6151 0.6245 0.6245 0.6261 0.6261 4.8666 4.8666 5.9442 5.9442 5.9599 5.9599 5.9657 5.9657 7.0839 7.0839 7.1289 7.1289 k = 0.0000 0.0769-0.0000 ( 7917 PWs) bands (ev): -18.8617 -18.8617 -18.4026 -18.4026 -18.3918 -18.3918 -18.3908 -18.3908 -17.3501 -17.3501 -16.5753 -16.5753 -16.5656 -16.5656 -16.5638 -16.5638 -11.5557 -11.5557 -10.6657 -10.6657 -7.7910 -7.7910 -7.7741 -7.7741 -7.7628 -7.7628 -7.2901 -7.2901 -7.2727 -7.2727 -7.2673 -7.2673 -5.4042 -5.4042 -5.4023 -5.4023 -4.8721 -4.8721 -4.8605 -4.8605 -4.8565 -4.8565 -4.6401 -4.6401 -4.6298 -4.6298 -4.6263 -4.6263 -1.4184 -1.4184 -1.4001 -1.4001 -1.3940 -1.3940 -1.3097 -1.3097 -1.2816 -1.2816 0.6022 0.6022 0.6117 0.6117 0.6142 0.6142 4.8790 4.8790 5.9512 5.9512 5.9744 5.9744 5.9815 5.9815 7.0680 7.0680 7.1476 7.1476 k = 0.0000 0.0962-0.0000 ( 7925 PWs) bands (ev): -18.8590 -18.8590 -18.4087 -18.4087 -18.3918 -18.3918 -18.3908 -18.3908 -17.3417 -17.3417 -16.5810 -16.5810 -16.5657 -16.5657 -16.5639 -16.5639 -11.5487 -11.5487 -10.6741 -10.6741 -7.7923 -7.7923 -7.7766 -7.7766 -7.7583 -7.7583 -7.2915 -7.2915 -7.2711 -7.2711 -7.2643 -7.2643 -5.4004 -5.4004 -5.3974 -5.3974 -4.8761 -4.8761 -4.8619 -4.8619 -4.8569 -4.8569 -4.6484 -4.6484 -4.6332 -4.6332 -4.6293 -4.6293 -1.4158 -1.4158 -1.3886 -1.3886 -1.3819 -1.3819 -1.3093 -1.3093 -1.2657 -1.2657 0.5855 0.5855 0.5957 0.5957 0.5992 0.5992 4.8950 4.8950 5.9592 5.9592 5.9939 5.9939 6.0017 6.0017 7.0478 7.0478 7.1715 7.1715 k = 0.0000 0.1154-0.0000 ( 7921 PWs) bands (ev): -18.8556 -18.8556 -18.4159 -18.4159 -18.3918 -18.3918 -18.3907 -18.3907 -17.3316 -17.3316 -16.5880 -16.5880 -16.5657 -16.5657 -16.5639 -16.5639 -11.5403 -11.5403 -10.6842 -10.6842 -7.7941 -7.7941 -7.7796 -7.7796 -7.7524 -7.7524 -7.2942 -7.2942 -7.2683 -7.2683 -7.2607 -7.2607 -5.3956 -5.3956 -5.3914 -5.3914 -4.8816 -4.8816 -4.8630 -4.8630 -4.8574 -4.8574 -4.6586 -4.6586 -4.6369 -4.6369 -4.6328 -4.6328 -1.4130 -1.4130 -1.3743 -1.3743 -1.3672 -1.3672 -1.3090 -1.3090 -1.2464 -1.2464 0.5650 0.5650 0.5767 0.5767 0.5811 0.5811 4.9144 4.9144 5.9684 5.9684 6.0179 6.0179 6.0260 6.0260 7.0235 7.0235 7.2005 7.2005 k = 0.0000 0.1346-0.0000 ( 7917 PWs) bands (ev): -18.8517 -18.8517 -18.4243 -18.4243 -18.3918 -18.3918 -18.3907 -18.3907 -17.3199 -17.3199 -16.5962 -16.5962 -16.5657 -16.5657 -16.5639 -16.5639 -11.5303 -11.5303 -10.6961 -10.6961 -7.7965 -7.7965 -7.7829 -7.7829 -7.7453 -7.7453 -7.2979 -7.2979 -7.2646 -7.2646 -7.2566 -7.2566 -5.3900 -5.3900 -5.3843 -5.3843 -4.8883 -4.8883 -4.8640 -4.8640 -4.8579 -4.8579 -4.6707 -4.6707 -4.6410 -4.6410 -4.6368 -4.6368 -1.4100 -1.4100 -1.3574 -1.3574 -1.3502 -1.3502 -1.3086 -1.3086 -1.2238 -1.2238 0.5407 0.5407 0.5552 0.5552 0.5601 0.5601 4.9373 4.9373 5.9792 5.9792 6.0460 6.0460 6.0543 6.0543 6.9951 6.9951 7.2344 7.2344 k = 0.0000 0.1538-0.0000 ( 7925 PWs) bands (ev): -18.8472 -18.8472 -18.4337 -18.4337 -18.3918 -18.3918 -18.3907 -18.3907 -17.3067 -17.3067 -16.6056 -16.6056 -16.5657 -16.5657 -16.5640 -16.5640 -11.5190 -11.5190 -10.7096 -10.7096 -7.7993 -7.7993 -7.7865 -7.7865 -7.7371 -7.7371 -7.3025 -7.3025 -7.2601 -7.2601 -7.2521 -7.2521 -5.3836 -5.3836 -5.3761 -5.3761 -4.8962 -4.8962 -4.8648 -4.8648 -4.8586 -4.8586 -4.6844 -4.6844 -4.6456 -4.6456 -4.6413 -4.6413 -1.4068 -1.4068 -1.3382 -1.3382 -1.3311 -1.3311 -1.3081 -1.3081 -1.1981 -1.1981 0.5127 0.5127 0.5311 0.5311 0.5364 0.5364 4.9636 4.9636 5.9915 5.9915 6.0779 6.0779 6.0863 6.0863 6.9630 6.9630 7.2731 7.2731 k = 0.0000 0.1731-0.0000 ( 7913 PWs) bands (ev): -18.8421 -18.8421 -18.4440 -18.4440 -18.3917 -18.3917 -18.3907 -18.3907 -17.2921 -17.2921 -16.6162 -16.6162 -16.5657 -16.5657 -16.5640 -16.5640 -11.5062 -11.5062 -10.7246 -10.7246 -7.8023 -7.8023 -7.7904 -7.7904 -7.7278 -7.7278 -7.3080 -7.3080 -7.2551 -7.2551 -7.2472 -7.2472 -5.3764 -5.3764 -5.3669 -5.3669 -4.9051 -4.9051 -4.8656 -4.8656 -4.8593 -4.8593 -4.6996 -4.6996 -4.6504 -4.6504 -4.6461 -4.6461 -1.4033 -1.4033 -1.3167 -1.3167 -1.3112 -1.3112 -1.3061 -1.3061 -1.1693 -1.1693 0.4815 0.4815 0.5048 0.5048 0.5103 0.5103 4.9932 4.9932 6.0055 6.0055 6.1133 6.1133 6.1216 6.1216 6.9272 6.9272 7.3163 7.3163 k = 0.0000 0.1923-0.0000 ( 7917 PWs) bands (ev): -18.8364 -18.8364 -18.4552 -18.4552 -18.3917 -18.3917 -18.3907 -18.3907 -17.2762 -17.2762 -16.6279 -16.6279 -16.5657 -16.5657 -16.5641 -16.5641 -11.4921 -11.4921 -10.7412 -10.7412 -7.8056 -7.8056 -7.7945 -7.7945 -7.7176 -7.7176 -7.3142 -7.3142 -7.2497 -7.2497 -7.2421 -7.2421 -5.3683 -5.3683 -5.3567 -5.3567 -4.9151 -4.9151 -4.8664 -4.8664 -4.8601 -4.8601 -4.7162 -4.7162 -4.6555 -4.6555 -4.6512 -4.6512 -1.3995 -1.3995 -1.3079 -1.3079 -1.2933 -1.2933 -1.2857 -1.2857 -1.1377 -1.1377 0.4470 0.4470 0.4762 0.4762 0.4819 0.4819 5.0262 5.0262 6.0212 6.0212 6.1518 6.1518 6.1601 6.1601 6.8880 6.8880 7.3638 7.3638 k = 0.0000 0.2115-0.0000 ( 7905 PWs) bands (ev): -18.8301 -18.8301 -18.4670 -18.4670 -18.3917 -18.3917 -18.3907 -18.3907 -17.2591 -17.2591 -16.6407 -16.6407 -16.5657 -16.5657 -16.5641 -16.5641 -11.4767 -11.4767 -10.7591 -10.7591 -7.8091 -7.8091 -7.7987 -7.7987 -7.7065 -7.7065 -7.3211 -7.3211 -7.2441 -7.2441 -7.2367 -7.2367 -5.3595 -5.3595 -5.3454 -5.3454 -4.9259 -4.9259 -4.8672 -4.8672 -4.8610 -4.8610 -4.7340 -4.7340 -4.6607 -4.6607 -4.6565 -4.6565 -1.3955 -1.3955 -1.3075 -1.3075 -1.2681 -1.2681 -1.2607 -1.2607 -1.1032 -1.1032 0.4096 0.4096 0.4459 0.4459 0.4516 0.4516 5.0624 5.0624 6.0386 6.0386 6.1932 6.1932 6.2014 6.2014 6.8456 6.8456 7.4155 7.4155 k = 0.0000 0.2308-0.0000 ( 7905 PWs) bands (ev): -18.8233 -18.8233 -18.4795 -18.4795 -18.3916 -18.3916 -18.3907 -18.3907 -17.2410 -17.2410 -16.6545 -16.6545 -16.5657 -16.5657 -16.5642 -16.5642 -11.4601 -11.4601 -10.7784 -10.7784 -7.8126 -7.8126 -7.8029 -7.8029 -7.6947 -7.6947 -7.3287 -7.3287 -7.2383 -7.2383 -7.2313 -7.2313 -5.3500 -5.3500 -5.3331 -5.3331 -4.9376 -4.9376 -4.8680 -4.8680 -4.8619 -4.8619 -4.7530 -4.7530 -4.6661 -4.6661 -4.6619 -4.6619 -1.3913 -1.3913 -1.3074 -1.3074 -1.2413 -1.2413 -1.2341 -1.2341 -1.0662 -1.0662 0.3695 0.3695 0.4139 0.4139 0.4197 0.4197 5.1018 5.1018 6.0578 6.0578 6.2369 6.2369 6.2450 6.2450 6.8001 6.8001 7.4711 7.4711 k = 0.0000 0.2500-0.0000 ( 7869 PWs) bands (ev): -18.8159 -18.8159 -18.4925 -18.4925 -18.3915 -18.3915 -18.3907 -18.3907 -17.2219 -17.2219 -16.6693 -16.6693 -16.5656 -16.5656 -16.5642 -16.5642 -11.4422 -11.4422 -10.7989 -10.7989 -7.8161 -7.8161 -7.8071 -7.8071 -7.6822 -7.6822 -7.3369 -7.3369 -7.2324 -7.2324 -7.2259 -7.2259 -5.3397 -5.3397 -5.3198 -5.3198 -4.9501 -4.9501 -4.8688 -4.8688 -4.8629 -4.8629 -4.7730 -4.7730 -4.6714 -4.6714 -4.6674 -4.6674 -1.3869 -1.3869 -1.3073 -1.3073 -1.2132 -1.2132 -1.2061 -1.2061 -1.0267 -1.0267 0.3269 0.3269 0.3807 0.3807 0.3865 0.3865 5.1444 5.1444 6.0788 6.0788 6.2826 6.2826 6.2905 6.2905 6.7516 6.7516 7.4736 7.4736 k = 0.0000 0.2692-0.0000 ( 7889 PWs) bands (ev): -18.8080 -18.8080 -18.5059 -18.5059 -18.3915 -18.3915 -18.3907 -18.3907 -17.2020 -17.2020 -16.6851 -16.6851 -16.5656 -16.5656 -16.5643 -16.5643 -11.4232 -11.4232 -10.8205 -10.8205 -7.8195 -7.8195 -7.8113 -7.8113 -7.6691 -7.6691 -7.3458 -7.3458 -7.2266 -7.2266 -7.2206 -7.2206 -5.3287 -5.3287 -5.3056 -5.3056 -4.9634 -4.9634 -4.8697 -4.8697 -4.8640 -4.8640 -4.7939 -4.7939 -4.6767 -4.6767 -4.6728 -4.6728 -1.3823 -1.3823 -1.3075 -1.3075 -1.1840 -1.1840 -1.1772 -1.1772 -0.9850 -0.9850 0.2818 0.2818 0.3465 0.3465 0.3522 0.3522 5.1899 5.1899 6.1017 6.1017 6.3298 6.3298 6.3375 6.3375 6.7003 6.7003 7.3842 7.3842 k = 0.0000 0.2885-0.0000 ( 7893 PWs) bands (ev): -18.7995 -18.7995 -18.5197 -18.5197 -18.3915 -18.3915 -18.3907 -18.3907 -17.1813 -17.1813 -16.7018 -16.7018 -16.5656 -16.5656 -16.5644 -16.5644 -11.4031 -11.4031 -10.8432 -10.8432 -7.8229 -7.8229 -7.8153 -7.8153 -7.6555 -7.6555 -7.3553 -7.3553 -7.2209 -7.2209 -7.2154 -7.2154 -5.3170 -5.3170 -5.2905 -5.2905 -4.9773 -4.9773 -4.8705 -4.8705 -4.8651 -4.8651 -4.8156 -4.8156 -4.6819 -4.6819 -4.6781 -4.6781 -1.3776 -1.3776 -1.3078 -1.3078 -1.1542 -1.1542 -1.1476 -1.1476 -0.9412 -0.9412 0.2347 0.2347 0.3119 0.3119 0.3174 0.3174 5.2383 5.2383 6.1264 6.1264 6.3780 6.3780 6.3854 6.3854 6.6464 6.6464 7.2968 7.2968 k = 0.0000 0.3077-0.0000 ( 7889 PWs) bands (ev): -18.7905 -18.7905 -18.5338 -18.5338 -18.3914 -18.3914 -18.3907 -18.3907 -17.1600 -17.1600 -16.7194 -16.7194 -16.5656 -16.5656 -16.5644 -16.5644 -11.3820 -11.3820 -10.8667 -10.8667 -7.8260 -7.8260 -7.8192 -7.8192 -7.6415 -7.6415 -7.3654 -7.3654 -7.2155 -7.2155 -7.2104 -7.2104 -5.3046 -5.3046 -5.2745 -5.2745 -4.9918 -4.9918 -4.8713 -4.8713 -4.8662 -4.8662 -4.8379 -4.8379 -4.6868 -4.6868 -4.6833 -4.6833 -1.3729 -1.3729 -1.3084 -1.3084 -1.1240 -1.1240 -1.1176 -1.1176 -0.8953 -0.8953 0.1858 0.1858 0.2771 0.2771 0.2825 0.2825 5.2896 5.2896 6.1531 6.1531 6.4265 6.4265 6.4336 6.4336 6.5898 6.5898 7.2118 7.2118 k = 0.0000 0.3269-0.0000 ( 7893 PWs) bands (ev): -18.7810 -18.7810 -18.5480 -18.5480 -18.3914 -18.3914 -18.3907 -18.3907 -17.1381 -17.1381 -16.7377 -16.7377 -16.5655 -16.5655 -16.5645 -16.5645 -11.3599 -11.3599 -10.8911 -10.8911 -7.8290 -7.8290 -7.8229 -7.8229 -7.6271 -7.6271 -7.3760 -7.3760 -7.2102 -7.2102 -7.2057 -7.2057 -5.2917 -5.2917 -5.2577 -5.2577 -5.0068 -5.0068 -4.8720 -4.8720 -4.8673 -4.8673 -4.8607 -4.8607 -4.6915 -4.6915 -4.6881 -4.6881 -1.3681 -1.3681 -1.3092 -1.3092 -1.0938 -1.0938 -1.0878 -1.0878 -0.8476 -0.8476 0.1352 0.1352 0.2427 0.2427 0.2479 0.2479 5.3435 5.3435 6.1817 6.1817 6.4747 6.4747 6.4813 6.4813 6.5309 6.5309 7.1296 7.1296 k = 0.0000 0.3462-0.0000 ( 7892 PWs) bands (ev): -18.7710 -18.7710 -18.5624 -18.5624 -18.3913 -18.3913 -18.3908 -18.3908 -17.1158 -17.1158 -16.7569 -16.7569 -16.5655 -16.5655 -16.5646 -16.5646 -11.3370 -11.3370 -10.9162 -10.9162 -7.8317 -7.8317 -7.8263 -7.8263 -7.6124 -7.6124 -7.3872 -7.3872 -7.2054 -7.2054 -7.2013 -7.2013 -5.2782 -5.2782 -5.2400 -5.2400 -5.0222 -5.0222 -4.8841 -4.8841 -4.8727 -4.8727 -4.8684 -4.8684 -4.6958 -4.6958 -4.6927 -4.6927 -1.3633 -1.3633 -1.3102 -1.3102 -1.0642 -1.0642 -1.0585 -1.0585 -0.7983 -0.7983 0.0832 0.0832 0.2091 0.2091 0.2141 0.2141 5.4000 5.4000 6.2124 6.2124 6.4694 6.4694 6.5218 6.5218 6.5281 6.5281 7.0505 7.0505 k = 0.0000 0.3654-0.0000 ( 7876 PWs) bands (ev): -18.7605 -18.7605 -18.5769 -18.5769 -18.3912 -18.3912 -18.3908 -18.3908 -17.0931 -17.0931 -16.7767 -16.7767 -16.5654 -16.5654 -16.5646 -16.5646 -11.3132 -11.3132 -10.9419 -10.9419 -7.8342 -7.8342 -7.8295 -7.8295 -7.5974 -7.5974 -7.3988 -7.3988 -7.2009 -7.2009 -7.1973 -7.1973 -5.2641 -5.2641 -5.2215 -5.2215 -5.0380 -5.0380 -4.9076 -4.9076 -4.8733 -4.8733 -4.8694 -4.8694 -4.6996 -4.6996 -4.6968 -4.6968 -1.3585 -1.3585 -1.3115 -1.3115 -1.0356 -1.0356 -1.0303 -1.0303 -0.7474 -0.7474 0.0298 0.0298 0.1771 0.1771 0.1817 0.1817 5.4589 5.4589 6.2451 6.2451 6.4058 6.4058 6.5670 6.5670 6.5728 6.5728 6.9746 6.9746 k = 0.0000 0.3846-0.0000 ( 7872 PWs) bands (ev): -18.7496 -18.7496 -18.5913 -18.5913 -18.3912 -18.3912 -18.3908 -18.3908 -17.0700 -17.0700 -16.7971 -16.7971 -16.5654 -16.5654 -16.5647 -16.5647 -11.2887 -11.2887 -10.9681 -10.9681 -7.8363 -7.8363 -7.8323 -7.8323 -7.5823 -7.5823 -7.4110 -7.4110 -7.1969 -7.1969 -7.1938 -7.1938 -5.2495 -5.2495 -5.2022 -5.2022 -5.0542 -5.0542 -4.9314 -4.9314 -4.8739 -4.8739 -4.8705 -4.8705 -4.7030 -4.7030 -4.7006 -4.7006 -1.3538 -1.3538 -1.3131 -1.3131 -1.0086 -1.0086 -1.0039 -1.0039 -0.6952 -0.6952 -0.0246 -0.0246 0.1472 0.1472 0.1514 0.1514 5.5201 5.5201 6.2800 6.2800 6.3403 6.3403 6.6093 6.6093 6.6145 6.6145 6.9021 6.9021 k = 0.0000 0.4038-0.0000 ( 7872 PWs) bands (ev): -18.7383 -18.7383 -18.6058 -18.6058 -18.3911 -18.3911 -18.3908 -18.3908 -17.0468 -17.0468 -16.8181 -16.8181 -16.5653 -16.5653 -16.5648 -16.5648 -11.2636 -11.2636 -10.9948 -10.9948 -7.8382 -7.8382 -7.8348 -7.8348 -7.5672 -7.5672 -7.4236 -7.4236 -7.1933 -7.1933 -7.1908 -7.1908 -5.2344 -5.2344 -5.1822 -5.1822 -5.0706 -5.0706 -4.9553 -4.9553 -4.8743 -4.8743 -4.8714 -4.8714 -4.7059 -4.7059 -4.7038 -4.7038 -1.3492 -1.3492 -1.3150 -1.3150 -0.9839 -0.9839 -0.9798 -0.9798 -0.6419 -0.6419 -0.0799 -0.0799 0.1201 0.1201 0.1238 0.1238 5.5834 5.5834 6.2730 6.2730 6.3171 6.3171 6.6478 6.6478 6.6523 6.6523 6.8332 6.8332 k = 0.0000 0.4231-0.0000 ( 7884 PWs) bands (ev): -18.7265 -18.7265 -18.6201 -18.6201 -18.3911 -18.3911 -18.3908 -18.3908 -17.0234 -17.0234 -16.8397 -16.8397 -16.5653 -16.5653 -16.5648 -16.5648 -11.2379 -11.2379 -11.0218 -11.0218 -7.8396 -7.8396 -7.8369 -7.8369 -7.5521 -7.5521 -7.4366 -7.4366 -7.1904 -7.1904 -7.1884 -7.1884 -5.2190 -5.2190 -5.1616 -5.1616 -5.0872 -5.0872 -4.9793 -4.9793 -4.8747 -4.8747 -4.8723 -4.8723 -4.7083 -4.7083 -4.7066 -4.7066 -1.3448 -1.3448 -1.3172 -1.3172 -0.9622 -0.9622 -0.9588 -0.9588 -0.5875 -0.5875 -0.1359 -0.1359 0.0965 0.0965 0.0996 0.0996 5.6485 5.6485 6.2043 6.2043 6.3565 6.3565 6.6814 6.6814 6.6851 6.6851 6.7678 6.7678 k = 0.0000 0.4423-0.0000 ( 7892 PWs) bands (ev): -18.7143 -18.7143 -18.6343 -18.6343 -18.3911 -18.3911 -18.3909 -18.3909 -17.0000 -17.0000 -16.8617 -16.8617 -16.5653 -16.5653 -16.5649 -16.5649 -11.2117 -11.2117 -11.0490 -11.0490 -7.8407 -7.8407 -7.8387 -7.8387 -7.5370 -7.5370 -7.4501 -7.4501 -7.1880 -7.1880 -7.1865 -7.1865 -5.2032 -5.2032 -5.1404 -5.1404 -5.1039 -5.1039 -5.0031 -5.0031 -4.8749 -4.8749 -4.8731 -4.8731 -4.7102 -4.7102 -4.7088 -4.7088 -1.3405 -1.3405 -1.3197 -1.3197 -0.9443 -0.9443 -0.9416 -0.9416 -0.5323 -0.5323 -0.1924 -0.1924 0.0773 0.0773 0.0798 0.0798 5.7153 5.7153 6.1346 6.1346 6.3982 6.3982 6.7045 6.7045 6.7090 6.7090 6.7130 6.7130 k = 0.0000 0.4615-0.0000 ( 7888 PWs) bands (ev): -18.7017 -18.7017 -18.6483 -18.6483 -18.3910 -18.3910 -18.3909 -18.3909 -16.9765 -16.9765 -16.8841 -16.8841 -16.5652 -16.5652 -16.5649 -16.5649 -11.1851 -11.1851 -11.0763 -11.0763 -7.8414 -7.8414 -7.8400 -7.8400 -7.5220 -7.5220 -7.4639 -7.4639 -7.1862 -7.1862 -7.1852 -7.1852 -5.1871 -5.1871 -5.1217 -5.1217 -5.1176 -5.1176 -5.0268 -5.0268 -4.8749 -4.8749 -4.8737 -4.8737 -4.7114 -4.7114 -4.7105 -4.7105 -1.3364 -1.3364 -1.3225 -1.3225 -0.9307 -0.9307 -0.9289 -0.9289 -0.4763 -0.4763 -0.2492 -0.2492 0.0631 0.0631 0.0648 0.0648 5.7835 5.7835 6.0642 6.0642 6.4425 6.4425 6.6469 6.6469 6.7297 6.7297 6.7318 6.7318 k = 0.0000 0.4808-0.0000 ( 7896 PWs) bands (ev): -18.6888 -18.6888 -18.6621 -18.6621 -18.3910 -18.3910 -18.3909 -18.3909 -16.9531 -16.9531 -16.9069 -16.9069 -16.5651 -16.5651 -16.5650 -16.5650 -11.1582 -11.1582 -11.1037 -11.1037 -7.8416 -7.8416 -7.8410 -7.8410 -7.5071 -7.5071 -7.4780 -7.4780 -7.1850 -7.1850 -7.1845 -7.1845 -5.1708 -5.1708 -5.1376 -5.1376 -5.0961 -5.0961 -5.0503 -5.0503 -4.8749 -4.8749 -4.8743 -4.8743 -4.7121 -4.7121 -4.7116 -4.7116 -1.3326 -1.3326 -1.3256 -1.3256 -0.9221 -0.9221 -0.9212 -0.9212 -0.4199 -0.4199 -0.3061 -0.3061 0.0545 0.0545 0.0554 0.0554 5.8528 5.8528 5.9935 5.9935 6.4893 6.4893 6.5914 6.5914 6.7427 6.7427 6.7438 6.7438 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -18.6756 -18.6756 -18.6756 -18.6756 -18.3910 -18.3910 -18.3910 -18.3910 -16.9299 -16.9299 -16.9299 -16.9299 -16.5651 -16.5651 -16.5651 -16.5651 -11.1310 -11.1310 -11.1310 -11.1310 -7.8415 -7.8415 -7.8415 -7.8415 -7.4925 -7.4925 -7.4925 -7.4925 -7.1844 -7.1844 -7.1844 -7.1844 -5.1542 -5.1542 -5.1542 -5.1542 -5.0734 -5.0734 -5.0734 -5.0734 -4.8746 -4.8746 -4.8746 -4.8746 -4.7122 -4.7122 -4.7122 -4.7122 -1.3290 -1.3290 -1.3290 -1.3290 -0.9189 -0.9189 -0.9189 -0.9189 -0.3631 -0.3631 -0.3631 -0.3631 0.0519 0.0519 0.0519 0.0519 5.9229 5.9229 5.9229 5.9229 6.5389 6.5389 6.5389 6.5389 6.7474 6.7474 6.7474 6.7474 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -18.6756 -18.6756 -18.6756 -18.6756 -18.3910 -18.3910 -18.3910 -18.3910 -16.9299 -16.9299 -16.9299 -16.9299 -16.5651 -16.5651 -16.5651 -16.5651 -11.1310 -11.1310 -11.1310 -11.1310 -7.8415 -7.8415 -7.8415 -7.8415 -7.4925 -7.4925 -7.4925 -7.4925 -7.1844 -7.1844 -7.1844 -7.1844 -5.1542 -5.1542 -5.1542 -5.1542 -5.0734 -5.0734 -5.0734 -5.0734 -4.8746 -4.8746 -4.8746 -4.8746 -4.7122 -4.7122 -4.7122 -4.7122 -1.3290 -1.3290 -1.3290 -1.3290 -0.9189 -0.9189 -0.9189 -0.9189 -0.3631 -0.3631 -0.3631 -0.3631 0.0519 0.0519 0.0519 0.0519 5.9229 5.9229 5.9229 5.9229 6.5389 6.5389 6.5389 6.5389 6.7474 6.7474 6.7474 6.7474 k = 0.0192 0.5000-0.0000 ( 7904 PWs) bands (ev): -18.6756 -18.6756 -18.6755 -18.6755 -18.3910 -18.3910 -18.3909 -18.3909 -16.9300 -16.9300 -16.9298 -16.9298 -16.5651 -16.5651 -16.5650 -16.5650 -11.1310 -11.1310 -11.1310 -11.1310 -7.8420 -7.8420 -7.8412 -7.8412 -7.4932 -7.4932 -7.4916 -7.4916 -7.1848 -7.1848 -7.1841 -7.1841 -5.1543 -5.1543 -5.1540 -5.1540 -5.0737 -5.0737 -5.0736 -5.0736 -4.8743 -4.8743 -4.8739 -4.8739 -4.7126 -4.7126 -4.7125 -4.7125 -1.3291 -1.3291 -1.3284 -1.3284 -0.9190 -0.9190 -0.9183 -0.9183 -0.3642 -0.3642 -0.3635 -0.3635 0.0520 0.0520 0.0527 0.0527 5.9232 5.9232 5.9234 5.9234 6.5332 6.5332 6.5350 6.5350 6.7546 6.7546 6.7567 6.7567 k = 0.0385 0.5000-0.0000 ( 7900 PWs) bands (ev): -18.6755 -18.6755 -18.6754 -18.6754 -18.3912 -18.3912 -18.3910 -18.3910 -16.9301 -16.9301 -16.9298 -16.9298 -16.5652 -16.5652 -16.5649 -16.5649 -11.1310 -11.1310 -11.1310 -11.1310 -7.8427 -7.8427 -7.8410 -7.8410 -7.4939 -7.4939 -7.4907 -7.4907 -7.1851 -7.1851 -7.1838 -7.1838 -5.1543 -5.1543 -5.1536 -5.1536 -5.0743 -5.0743 -5.0741 -5.0741 -4.8728 -4.8728 -4.8721 -4.8721 -4.7139 -4.7139 -4.7137 -4.7137 -1.3288 -1.3288 -1.3274 -1.3274 -0.9184 -0.9184 -0.9170 -0.9170 -0.3669 -0.3669 -0.3655 -0.3655 0.0529 0.0529 0.0543 0.0543 5.9240 5.9240 5.9244 5.9244 6.5204 6.5204 6.5235 6.5235 6.7763 6.7763 6.7799 6.7799 k = 0.0577 0.5000-0.0000 ( 7896 PWs) bands (ev): -18.6753 -18.6753 -18.6752 -18.6752 -18.3914 -18.3914 -18.3912 -18.3912 -16.9302 -16.9302 -16.9297 -16.9297 -16.5652 -16.5652 -16.5648 -16.5648 -11.1310 -11.1310 -11.1310 -11.1310 -7.8435 -7.8435 -7.8410 -7.8410 -7.4944 -7.4944 -7.4898 -7.4898 -7.1854 -7.1854 -7.1834 -7.1834 -5.1541 -5.1541 -5.1530 -5.1530 -5.0753 -5.0753 -5.0750 -5.0750 -4.8703 -4.8703 -4.8693 -4.8693 -4.7160 -4.7160 -4.7156 -4.7156 -1.3281 -1.3281 -1.3260 -1.3260 -0.9173 -0.9173 -0.9153 -0.9153 -0.3708 -0.3708 -0.3688 -0.3688 0.0546 0.0546 0.0567 0.0567 5.9255 5.9255 5.9261 5.9261 6.5047 6.5047 6.5085 6.5085 6.8080 6.8080 6.8126 6.8126 k = 0.0769 0.5000-0.0000 ( 7884 PWs) bands (ev): -18.6751 -18.6751 -18.6750 -18.6750 -18.3916 -18.3916 -18.3913 -18.3913 -16.9303 -16.9303 -16.9297 -16.9297 -16.5652 -16.5652 -16.5647 -16.5647 -11.1310 -11.1310 -11.1309 -11.1309 -7.8445 -7.8445 -7.8411 -7.8411 -7.4949 -7.4949 -7.4889 -7.4889 -7.1857 -7.1857 -7.1831 -7.1831 -5.1538 -5.1538 -5.1524 -5.1524 -5.0766 -5.0766 -5.0761 -5.0761 -4.8670 -4.8670 -4.8656 -4.8656 -4.7187 -4.7187 -4.7182 -4.7182 -1.3270 -1.3270 -1.3243 -1.3243 -0.9156 -0.9156 -0.9129 -0.9129 -0.3759 -0.3759 -0.3733 -0.3733 0.0569 0.0569 0.0595 0.0595 5.9276 5.9276 5.9284 5.9284 6.4894 6.4894 6.4935 6.4935 6.8463 6.8463 6.8514 6.8514 k = 0.0962 0.5000-0.0000 ( 7870 PWs) bands (ev): -18.6749 -18.6749 -18.6747 -18.6747 -18.3919 -18.3919 -18.3916 -18.3916 -16.9304 -16.9304 -16.9297 -16.9297 -16.5652 -16.5652 -16.5646 -16.5646 -11.1310 -11.1310 -11.1309 -11.1309 -7.8455 -7.8455 -7.8414 -7.8414 -7.4953 -7.4953 -7.4879 -7.4879 -7.1860 -7.1860 -7.1827 -7.1827 -5.1534 -5.1534 -5.1516 -5.1516 -5.0780 -5.0780 -5.0773 -5.0773 -4.8629 -4.8629 -4.8612 -4.8612 -4.7222 -4.7222 -4.7215 -4.7215 -1.3256 -1.3256 -1.3224 -1.3224 -0.9133 -0.9133 -0.9100 -0.9100 -0.3819 -0.3819 -0.3788 -0.3788 0.0596 0.0596 0.0628 0.0628 5.9302 5.9302 5.9313 5.9313 6.4764 6.4764 6.4807 6.4807 6.8884 6.8884 6.8939 6.8939 k = 0.1154 0.5000-0.0000 ( 7872 PWs) bands (ev): -18.6745 -18.6745 -18.6743 -18.6743 -18.3923 -18.3923 -18.3919 -18.3919 -16.9305 -16.9305 -16.9297 -16.9297 -16.5652 -16.5652 -16.5645 -16.5645 -11.1310 -11.1310 -11.1308 -11.1308 -7.8466 -7.8466 -7.8419 -7.8419 -7.4956 -7.4956 -7.4870 -7.4870 -7.1862 -7.1862 -7.1824 -7.1824 -5.1529 -5.1529 -5.1507 -5.1507 -5.0795 -5.0795 -5.0786 -5.0786 -4.8583 -4.8583 -4.8563 -4.8563 -4.7261 -4.7261 -4.7252 -4.7252 -1.3241 -1.3241 -1.3202 -1.3202 -0.9104 -0.9104 -0.9065 -0.9065 -0.3886 -0.3886 -0.3850 -0.3850 0.0624 0.0624 0.0661 0.0661 5.9335 5.9335 5.9348 5.9348 6.4670 6.4670 6.4712 6.4712 6.9325 6.9325 6.9383 6.9383 k = 0.1346 0.5000-0.0000 ( 7872 PWs) bands (ev): -18.6741 -18.6741 -18.6739 -18.6739 -18.3928 -18.3928 -18.3923 -18.3923 -16.9307 -16.9307 -16.9298 -16.9298 -16.5652 -16.5652 -16.5644 -16.5644 -11.1310 -11.1310 -11.1308 -11.1308 -7.8478 -7.8478 -7.8425 -7.8425 -7.4958 -7.4958 -7.4862 -7.4862 -7.1863 -7.1863 -7.1821 -7.1821 -5.1524 -5.1524 -5.1498 -5.1498 -5.0810 -5.0810 -5.0798 -5.0798 -4.8535 -4.8535 -4.8512 -4.8512 -4.7303 -4.7303 -4.7293 -4.7293 -1.3224 -1.3224 -1.3180 -1.3180 -0.9070 -0.9070 -0.9025 -0.9025 -0.3956 -0.3956 -0.3916 -0.3916 0.0653 0.0653 0.0694 0.0694 5.9374 5.9374 5.9390 5.9390 6.4617 6.4617 6.4659 6.4659 6.9769 6.9769 6.9830 6.9830 k = 0.1538 0.5000-0.0000 ( 7872 PWs) bands (ev): -18.6737 -18.6737 -18.6734 -18.6734 -18.3932 -18.3932 -18.3928 -18.3928 -16.9308 -16.9308 -16.9298 -16.9298 -16.5651 -16.5651 -16.5643 -16.5643 -11.1309 -11.1309 -11.1307 -11.1307 -7.8491 -7.8491 -7.8432 -7.8432 -7.4960 -7.4960 -7.4855 -7.4855 -7.1864 -7.1864 -7.1818 -7.1818 -5.1518 -5.1518 -5.1489 -5.1489 -5.0823 -5.0823 -5.0808 -5.0808 -4.8487 -4.8487 -4.8462 -4.8462 -4.7347 -4.7347 -4.7335 -4.7335 -1.3207 -1.3207 -1.3159 -1.3159 -0.9030 -0.9030 -0.8981 -0.8981 -0.4026 -0.4026 -0.3983 -0.3983 0.0680 0.0680 0.0724 0.0724 5.9421 5.9421 5.9439 5.9439 6.4611 6.4611 6.4651 6.4651 7.0199 7.0199 7.0261 7.0261 k = 0.1731 0.5000-0.0000 ( 7866 PWs) bands (ev): -18.6732 -18.6732 -18.6729 -18.6729 -18.3937 -18.3937 -18.3932 -18.3932 -16.9309 -16.9309 -16.9299 -16.9299 -16.5651 -16.5651 -16.5642 -16.5642 -11.1309 -11.1309 -11.1307 -11.1307 -7.8503 -7.8503 -7.8441 -7.8441 -7.4962 -7.4962 -7.4849 -7.4849 -7.1864 -7.1864 -7.1814 -7.1814 -5.1513 -5.1513 -5.1480 -5.1480 -5.0833 -5.0833 -5.0814 -5.0814 -4.8443 -4.8443 -4.8416 -4.8416 -4.7388 -4.7388 -4.7375 -4.7375 -1.3190 -1.3190 -1.3139 -1.3139 -0.8985 -0.8985 -0.8932 -0.8932 -0.4093 -0.4093 -0.4049 -0.4049 0.0702 0.0702 0.0749 0.0749 5.9477 5.9477 5.9498 5.9498 6.4652 6.4652 6.4689 6.4689 7.0593 7.0593 7.0656 7.0656 k = 0.1923 0.5000-0.0000 ( 7862 PWs) bands (ev): -18.6727 -18.6727 -18.6724 -18.6724 -18.3943 -18.3943 -18.3937 -18.3937 -16.9311 -16.9311 -16.9299 -16.9299 -16.5650 -16.5650 -16.5641 -16.5641 -11.1309 -11.1309 -11.1306 -11.1306 -7.8516 -7.8516 -7.8451 -7.8451 -7.4963 -7.4963 -7.4844 -7.4844 -7.1863 -7.1863 -7.1810 -7.1810 -5.1508 -5.1508 -5.1471 -5.1471 -5.0839 -5.0839 -5.0817 -5.0817 -4.8408 -4.8408 -4.8380 -4.8380 -4.7424 -4.7424 -4.7409 -4.7409 -1.3175 -1.3175 -1.3121 -1.3121 -0.8936 -0.8936 -0.8879 -0.8879 -0.4156 -0.4156 -0.4110 -0.4110 0.0718 0.0718 0.0767 0.0767 5.9545 5.9545 5.9568 5.9568 6.4739 6.4739 6.4775 6.4775 7.0922 7.0922 7.0987 7.0987 k = 0.2115 0.5000-0.0000 ( 7880 PWs) bands (ev): -18.6722 -18.6722 -18.6718 -18.6718 -18.3949 -18.3949 -18.3943 -18.3943 -16.9312 -16.9312 -16.9300 -16.9300 -16.5650 -16.5650 -16.5640 -16.5640 -11.1308 -11.1308 -11.1306 -11.1306 -7.8529 -7.8529 -7.8461 -7.8461 -7.4964 -7.4964 -7.4841 -7.4841 -7.1860 -7.1860 -7.1806 -7.1806 -5.1504 -5.1504 -5.1464 -5.1464 -5.0841 -5.0841 -5.0816 -5.0816 -4.8386 -4.8386 -4.8357 -4.8357 -4.7449 -4.7449 -4.7434 -4.7434 -1.3163 -1.3163 -1.3106 -1.3106 -0.8884 -0.8884 -0.8825 -0.8825 -0.4211 -0.4211 -0.4164 -0.4164 0.0727 0.0727 0.0778 0.0778 5.9627 5.9627 5.9653 5.9653 6.4872 6.4872 6.4905 6.4905 7.1155 7.1155 7.1220 7.1220 k = 0.2308 0.5000-0.0000 ( 7876 PWs) bands (ev): -18.6716 -18.6716 -18.6713 -18.6713 -18.3954 -18.3954 -18.3949 -18.3949 -16.9313 -16.9313 -16.9301 -16.9301 -16.5649 -16.5649 -16.5639 -16.5639 -11.1308 -11.1308 -11.1306 -11.1306 -7.8541 -7.8541 -7.8472 -7.8472 -7.4964 -7.4964 -7.4839 -7.4839 -7.1857 -7.1857 -7.1801 -7.1801 -5.1501 -5.1501 -5.1459 -5.1459 -5.0837 -5.0837 -5.0809 -5.0809 -4.8380 -4.8380 -4.8353 -4.8353 -4.7460 -4.7460 -4.7445 -4.7445 -1.3153 -1.3153 -1.3095 -1.3095 -0.8829 -0.8829 -0.8768 -0.8768 -0.4257 -0.4257 -0.4209 -0.4209 0.0729 0.0729 0.0780 0.0780 5.9726 5.9726 5.9754 5.9754 6.5047 6.5047 6.5078 6.5078 7.1260 7.1260 7.1325 7.1325 k = 0.2500 0.5000-0.0000 ( 7888 PWs) bands (ev): -18.6711 -18.6711 -18.6707 -18.6707 -18.3960 -18.3960 -18.3954 -18.3954 -16.9314 -16.9314 -16.9302 -16.9302 -16.5648 -16.5648 -16.5638 -16.5638 -11.1307 -11.1307 -11.1305 -11.1305 -7.8552 -7.8552 -7.8483 -7.8483 -7.4965 -7.4965 -7.4840 -7.4840 -7.1852 -7.1852 -7.1797 -7.1797 -5.1498 -5.1498 -5.1455 -5.1455 -5.0826 -5.0826 -5.0797 -5.0797 -4.8395 -4.8395 -4.8369 -4.8369 -4.7454 -4.7454 -4.7440 -4.7440 -1.3146 -1.3146 -1.3088 -1.3088 -0.8772 -0.8772 -0.8712 -0.8712 -0.4291 -0.4291 -0.4243 -0.4243 0.0721 0.0721 0.0773 0.0773 5.9845 5.9845 5.9875 5.9875 6.5259 6.5259 6.5288 6.5288 7.1218 7.1218 7.1281 7.1281 k = 0.2692 0.5000-0.0000 ( 7886 PWs) bands (ev): -18.6705 -18.6705 -18.6701 -18.6701 -18.3966 -18.3966 -18.3960 -18.3960 -16.9315 -16.9315 -16.9304 -16.9304 -16.5647 -16.5647 -16.5637 -16.5637 -11.1307 -11.1307 -11.1305 -11.1305 -7.8563 -7.8563 -7.8495 -7.8495 -7.4965 -7.4965 -7.4841 -7.4841 -7.1846 -7.1846 -7.1792 -7.1792 -5.1497 -5.1497 -5.1454 -5.1454 -5.0810 -5.0810 -5.0779 -5.0779 -4.8429 -4.8429 -4.8406 -4.8406 -4.7432 -4.7432 -4.7421 -4.7421 -1.3142 -1.3142 -1.3085 -1.3085 -0.8716 -0.8716 -0.8656 -0.8656 -0.4314 -0.4314 -0.4266 -0.4266 0.0705 0.0705 0.0757 0.0757 5.9986 5.9986 6.0019 6.0019 6.5503 6.5503 6.5530 6.5530 7.1036 7.1036 7.1096 7.1096 k = 0.2885 0.5000-0.0000 ( 7886 PWs) bands (ev): -18.6699 -18.6699 -18.6695 -18.6695 -18.3972 -18.3972 -18.3966 -18.3966 -16.9316 -16.9316 -16.9305 -16.9305 -16.5646 -16.5646 -16.5636 -16.5636 -11.1306 -11.1306 -11.1304 -11.1304 -7.8573 -7.8573 -7.8507 -7.8507 -7.4965 -7.4965 -7.4845 -7.4845 -7.1840 -7.1840 -7.1787 -7.1787 -5.1496 -5.1496 -5.1454 -5.1454 -5.0787 -5.0787 -5.0756 -5.0756 -4.8479 -4.8479 -4.8459 -4.8459 -4.7398 -4.7398 -4.7389 -4.7389 -1.3141 -1.3141 -1.3086 -1.3086 -0.8660 -0.8660 -0.8602 -0.8602 -0.4323 -0.4323 -0.4276 -0.4276 0.0680 0.0680 0.0731 0.0731 6.0153 6.0153 6.0187 6.0187 6.5771 6.5771 6.5794 6.5794 7.0743 7.0743 7.0800 7.0800 k = 0.3077 0.5000-0.0000 ( 7882 PWs) bands (ev): -18.6693 -18.6693 -18.6690 -18.6690 -18.3978 -18.3978 -18.3972 -18.3972 -16.9317 -16.9317 -16.9306 -16.9306 -16.5645 -16.5645 -16.5635 -16.5635 -11.1306 -11.1306 -11.1304 -11.1304 -7.8582 -7.8582 -7.8518 -7.8518 -7.4965 -7.4965 -7.4850 -7.4850 -7.1832 -7.1832 -7.1781 -7.1781 -5.1497 -5.1497 -5.1456 -5.1456 -5.0759 -5.0759 -5.0729 -5.0729 -4.8541 -4.8541 -4.8525 -4.8525 -4.7355 -4.7355 -4.7348 -4.7348 -1.3144 -1.3144 -1.3091 -1.3091 -0.8607 -0.8607 -0.8551 -0.8551 -0.4320 -0.4320 -0.4273 -0.4273 0.0648 0.0648 0.0698 0.0698 6.0347 6.0347 6.0382 6.0382 6.6047 6.6047 6.6067 6.6067 7.0385 7.0385 7.0438 7.0438 k = 0.3269 0.5000-0.0000 ( 7878 PWs) bands (ev): -18.6688 -18.6688 -18.6685 -18.6685 -18.3983 -18.3983 -18.3978 -18.3978 -16.9318 -16.9318 -16.9307 -16.9307 -16.5644 -16.5644 -16.5635 -16.5635 -11.1305 -11.1305 -11.1303 -11.1303 -7.8590 -7.8590 -7.8530 -7.8530 -7.4964 -7.4964 -7.4856 -7.4856 -7.1824 -7.1824 -7.1776 -7.1776 -5.1497 -5.1497 -5.1459 -5.1459 -5.0726 -5.0726 -5.0697 -5.0697 -4.8613 -4.8613 -4.8599 -4.8599 -4.7308 -4.7308 -4.7303 -4.7303 -1.3148 -1.3148 -1.3098 -1.3098 -0.8557 -0.8557 -0.8504 -0.8504 -0.4304 -0.4304 -0.4260 -0.4260 0.0609 0.0609 0.0657 0.0657 6.0569 6.0569 6.0605 6.0605 6.6309 6.6309 6.6324 6.6324 7.0016 7.0016 7.0062 7.0062 k = 0.3462 0.5000-0.0000 ( 7876 PWs) bands (ev): -18.6683 -18.6683 -18.6680 -18.6680 -18.3988 -18.3988 -18.3983 -18.3983 -16.9318 -16.9318 -16.9309 -16.9309 -16.5643 -16.5643 -16.5634 -16.5634 -11.1305 -11.1305 -11.1303 -11.1303 -7.8596 -7.8596 -7.8541 -7.8541 -7.4964 -7.4964 -7.4864 -7.4864 -7.1816 -7.1816 -7.1772 -7.1772 -5.1498 -5.1498 -5.1462 -5.1462 -5.0689 -5.0689 -5.0661 -5.0661 -4.8689 -4.8689 -4.8678 -4.8678 -4.7259 -4.7259 -4.7255 -4.7255 -1.3154 -1.3154 -1.3108 -1.3108 -0.8511 -0.8511 -0.8462 -0.8462 -0.4278 -0.4278 -0.4236 -0.4236 0.0566 0.0566 0.0611 0.0611 6.0820 6.0820 6.0858 6.0858 6.6515 6.6515 6.6522 6.6522 6.9699 6.9699 6.9737 6.9737 k = 0.3654 0.5000-0.0000 ( 7880 PWs) bands (ev): -18.6678 -18.6678 -18.6675 -18.6675 -18.3993 -18.3993 -18.3988 -18.3988 -16.9319 -16.9319 -16.9310 -16.9310 -16.5641 -16.5641 -16.5634 -16.5634 -11.1304 -11.1304 -11.1303 -11.1303 -7.8602 -7.8602 -7.8552 -7.8552 -7.4963 -7.4963 -7.4872 -7.4872 -7.1807 -7.1807 -7.1767 -7.1767 -5.1499 -5.1499 -5.1467 -5.1467 -5.0649 -5.0649 -5.0624 -5.0624 -4.8767 -4.8767 -4.8758 -4.8758 -4.7212 -4.7212 -4.7209 -4.7209 -1.3161 -1.3161 -1.3120 -1.3120 -0.8469 -0.8469 -0.8426 -0.8426 -0.4244 -0.4244 -0.4204 -0.4204 0.0519 0.0519 0.0561 0.0561 6.1102 6.1102 6.1141 6.1141 6.6596 6.6596 6.6601 6.6601 6.9519 6.9519 6.9543 6.9543 k = 0.3846 0.5000-0.0000 ( 7884 PWs) bands (ev): -18.6674 -18.6674 -18.6671 -18.6671 -18.3997 -18.3997 -18.3993 -18.3993 -16.9319 -16.9319 -16.9311 -16.9311 -16.5640 -16.5640 -16.5634 -16.5634 -11.1304 -11.1304 -11.1302 -11.1302 -7.8606 -7.8606 -7.8561 -7.8561 -7.4961 -7.4961 -7.4881 -7.4881 -7.1799 -7.1799 -7.1764 -7.1764 -5.1500 -5.1500 -5.1472 -5.1472 -5.0607 -5.0607 -5.0585 -5.0585 -4.8843 -4.8843 -4.8837 -4.8837 -4.7168 -4.7168 -4.7166 -4.7166 -1.3169 -1.3169 -1.3133 -1.3133 -0.8433 -0.8433 -0.8395 -0.8395 -0.4203 -0.4203 -0.4167 -0.4167 0.0471 0.0471 0.0509 0.0509 6.1414 6.1414 6.1453 6.1453 6.6488 6.6488 6.6507 6.6507 6.9541 6.9541 6.9552 6.9552 k = 0.4038 0.5000-0.0000 ( 7880 PWs) bands (ev): -18.6670 -18.6670 -18.6668 -18.6668 -18.4000 -18.4000 -18.3997 -18.3997 -16.9319 -16.9319 -16.9313 -16.9313 -16.5639 -16.5639 -16.5634 -16.5634 -11.1303 -11.1303 -11.1302 -11.1302 -7.8609 -7.8609 -7.8571 -7.8571 -7.4959 -7.4959 -7.4890 -7.4890 -7.1791 -7.1791 -7.1761 -7.1761 -5.1500 -5.1500 -5.1476 -5.1476 -5.0566 -5.0566 -5.0547 -5.0547 -4.8915 -4.8915 -4.8910 -4.8910 -4.7128 -4.7128 -4.7127 -4.7127 -1.3176 -1.3176 -1.3145 -1.3145 -0.8403 -0.8403 -0.8370 -0.8370 -0.4161 -0.4161 -0.4129 -0.4129 0.0425 0.0425 0.0458 0.0458 6.1755 6.1755 6.1795 6.1795 6.6206 6.6206 6.6236 6.6236 6.9768 6.9768 6.9768 6.9768 k = 0.4231 0.5000-0.0000 ( 7880 PWs) bands (ev): -18.6667 -18.6667 -18.6665 -18.6665 -18.4003 -18.4003 -18.4000 -18.4000 -16.9319 -16.9319 -16.9314 -16.9314 -16.5638 -16.5638 -16.5634 -16.5634 -11.1303 -11.1303 -11.1302 -11.1302 -7.8610 -7.8610 -7.8579 -7.8579 -7.4955 -7.4955 -7.4900 -7.4900 -7.1784 -7.1784 -7.1759 -7.1759 -5.1500 -5.1500 -5.1481 -5.1481 -5.0528 -5.0528 -5.0512 -5.0512 -4.8980 -4.8980 -4.8977 -4.8977 -4.7094 -4.7094 -4.7093 -4.7093 -1.3183 -1.3183 -1.3158 -1.3158 -0.8377 -0.8377 -0.8351 -0.8351 -0.4118 -0.4118 -0.4092 -0.4092 0.0383 0.0383 0.0411 0.0411 6.2125 6.2125 6.2165 6.2165 6.5810 6.5810 6.5846 6.5846 7.0139 7.0139 7.0146 7.0146 k = 0.4423 0.5000-0.0000 ( 7864 PWs) bands (ev): -18.6664 -18.6664 -18.6662 -18.6662 -18.4005 -18.4005 -18.4003 -18.4003 -16.9319 -16.9319 -16.9315 -16.9315 -16.5637 -16.5637 -16.5634 -16.5634 -11.1303 -11.1303 -11.1302 -11.1302 -7.8610 -7.8610 -7.8587 -7.8587 -7.4951 -7.4951 -7.4909 -7.4909 -7.1776 -7.1776 -7.1758 -7.1758 -5.1499 -5.1499 -5.1485 -5.1485 -5.0493 -5.0493 -5.0481 -5.0481 -4.9035 -4.9035 -4.9033 -4.9033 -4.7067 -4.7067 -4.7066 -4.7066 -1.3188 -1.3188 -1.3169 -1.3169 -0.8356 -0.8356 -0.8336 -0.8336 -0.4080 -0.4080 -0.4059 -0.4059 0.0348 0.0348 0.0370 0.0370 6.2521 6.2521 6.2562 6.2562 6.5356 6.5356 6.5394 6.5394 7.0613 7.0613 7.0624 7.0624 k = 0.4615 0.5000-0.0000 ( 7860 PWs) bands (ev): -18.6662 -18.6662 -18.6661 -18.6661 -18.4006 -18.4006 -18.4005 -18.4005 -16.9319 -16.9319 -16.9316 -16.9316 -16.5636 -16.5636 -16.5634 -16.5634 -11.1302 -11.1302 -11.1302 -11.1302 -7.8609 -7.8609 -7.8594 -7.8594 -7.4946 -7.4946 -7.4918 -7.4918 -7.1771 -7.1771 -7.1758 -7.1758 -5.1498 -5.1498 -5.1489 -5.1489 -5.0466 -5.0466 -5.0457 -5.0457 -4.9077 -4.9077 -4.9075 -4.9075 -4.7047 -4.7047 -4.7047 -4.7047 -1.3191 -1.3191 -1.3178 -1.3178 -0.8340 -0.8340 -0.8327 -0.8327 -0.4049 -0.4049 -0.4035 -0.4035 0.0322 0.0322 0.0337 0.0337 6.2939 6.2939 6.2980 6.2980 6.4880 6.4880 6.4919 6.4919 7.1157 7.1157 7.1169 7.1169 k = 0.4808 0.5000-0.0000 ( 7856 PWs) bands (ev): -18.6661 -18.6661 -18.6660 -18.6660 -18.4007 -18.4007 -18.4006 -18.4006 -16.9318 -16.9318 -16.9317 -16.9317 -16.5636 -16.5636 -16.5634 -16.5634 -11.1302 -11.1302 -11.1302 -11.1302 -7.8607 -7.8607 -7.8599 -7.8599 -7.4940 -7.4940 -7.4926 -7.4926 -7.1766 -7.1766 -7.1759 -7.1759 -5.1497 -5.1497 -5.1492 -5.1492 -5.0447 -5.0447 -5.0443 -5.0443 -4.9103 -4.9103 -4.9102 -4.9102 -4.7035 -4.7035 -4.7035 -4.7035 -1.3191 -1.3191 -1.3185 -1.3185 -0.8330 -0.8330 -0.8323 -0.8323 -0.4028 -0.4028 -0.4021 -0.4021 0.0308 0.0308 0.0315 0.0315 6.3366 6.3366 6.3405 6.3405 6.4414 6.4414 6.4452 6.4452 7.1750 7.1750 7.1763 7.1763 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -18.6660 -18.6660 -18.6660 -18.6660 -18.4007 -18.4007 -18.4007 -18.4007 -16.9318 -16.9318 -16.9318 -16.9318 -16.5635 -16.5635 -16.5635 -16.5635 -11.1302 -11.1302 -11.1302 -11.1302 -7.8604 -7.8604 -7.8604 -7.8604 -7.4933 -7.4933 -7.4933 -7.4933 -7.1762 -7.1762 -7.1762 -7.1762 -5.1495 -5.1495 -5.1495 -5.1495 -5.0439 -5.0439 -5.0439 -5.0439 -4.9112 -4.9112 -4.9112 -4.9112 -4.7031 -4.7031 -4.7031 -4.7031 -1.3189 -1.3189 -1.3189 -1.3189 -0.8324 -0.8324 -0.8324 -0.8324 -0.4018 -0.4018 -0.4018 -0.4018 0.0306 0.0306 0.0306 0.0306 6.3682 6.3682 6.3682 6.3682 6.4122 6.4122 6.4122 6.4122 7.2316 7.2316 7.2316 7.2316 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -18.6660 -18.6660 -18.6660 -18.6660 -18.4007 -18.4007 -18.4007 -18.4007 -16.9318 -16.9318 -16.9318 -16.9318 -16.5635 -16.5635 -16.5635 -16.5635 -11.1302 -11.1302 -11.1302 -11.1302 -7.8604 -7.8604 -7.8604 -7.8604 -7.4933 -7.4933 -7.4933 -7.4933 -7.1762 -7.1762 -7.1762 -7.1762 -5.1495 -5.1495 -5.1495 -5.1495 -5.0439 -5.0439 -5.0439 -5.0439 -4.9112 -4.9112 -4.9112 -4.9112 -4.7031 -4.7031 -4.7031 -4.7031 -1.3189 -1.3189 -1.3189 -1.3189 -0.8324 -0.8324 -0.8324 -0.8324 -0.4018 -0.4018 -0.4018 -0.4018 0.0306 0.0306 0.0306 0.0306 6.3682 6.3682 6.3682 6.3682 6.4122 6.4122 6.4122 6.4122 7.2316 7.2316 7.2316 7.2316 k = 0.4861 0.4861-0.0000 ( 7856 PWs) bands (ev): -18.6665 -18.6665 -18.6656 -18.6656 -18.4007 -18.4007 -18.4006 -18.4006 -16.9325 -16.9325 -16.9310 -16.9310 -16.5636 -16.5636 -16.5634 -16.5634 -11.1311 -11.1311 -11.1293 -11.1293 -7.8607 -7.8607 -7.8599 -7.8599 -7.4943 -7.4943 -7.4923 -7.4923 -7.1766 -7.1766 -7.1759 -7.1759 -5.1498 -5.1498 -5.1491 -5.1491 -5.0459 -5.0459 -5.0432 -5.0432 -4.9110 -4.9110 -4.9094 -4.9094 -4.7040 -4.7040 -4.7030 -4.7030 -1.3192 -1.3192 -1.3184 -1.3184 -0.8351 -0.8351 -0.8303 -0.8303 -0.4066 -0.4066 -0.3983 -0.3983 0.0278 0.0278 0.0345 0.0345 6.3190 6.3190 6.3684 6.3684 6.4135 6.4135 6.4630 6.4630 7.1474 7.1474 7.2328 7.2328 k = 0.4722 0.4722-0.0000 ( 7856 PWs) bands (ev): -18.6679 -18.6679 -18.6644 -18.6644 -18.4007 -18.4007 -18.4004 -18.4004 -16.9346 -16.9346 -16.9288 -16.9288 -16.5636 -16.5636 -16.5634 -16.5634 -11.1336 -11.1336 -11.1268 -11.1268 -7.8610 -7.8610 -7.8592 -7.8592 -7.4963 -7.4963 -7.4900 -7.4900 -7.1773 -7.1773 -7.1756 -7.1756 -5.1505 -5.1505 -5.1482 -5.1482 -5.0513 -5.0513 -5.0410 -5.0410 -4.9106 -4.9106 -4.9045 -4.9045 -4.7068 -4.7068 -4.7027 -4.7027 -1.3195 -1.3195 -1.3173 -1.3173 -0.8426 -0.8426 -0.8238 -0.8238 -0.4204 -0.4204 -0.3880 -0.3880 0.0197 0.0197 0.0460 0.0460 6.2553 6.2553 6.3682 6.3682 6.4179 6.4179 6.5301 6.5301 7.0622 7.0622 7.2364 7.2364 k = 0.4583 0.4583-0.0000 ( 7870 PWs) bands (ev): -18.6703 -18.6703 -18.6624 -18.6624 -18.4006 -18.4006 -18.4002 -18.4002 -16.9382 -16.9382 -16.9252 -16.9252 -16.5637 -16.5637 -16.5634 -16.5634 -11.1379 -11.1379 -11.1225 -11.1225 -7.8613 -7.8613 -7.8584 -7.8584 -7.4996 -7.4996 -7.4864 -7.4864 -7.1784 -7.1784 -7.1752 -7.1752 -5.1516 -5.1516 -5.1467 -5.1467 -5.0596 -5.0596 -5.0374 -5.0374 -4.9098 -4.9098 -4.8971 -4.8971 -4.7114 -4.7114 -4.7021 -4.7021 -1.3200 -1.3200 -1.3157 -1.3157 -0.8545 -0.8545 -0.8131 -0.8131 -0.4419 -0.4419 -0.3716 -0.3716 0.0062 0.0062 0.0636 0.0636 6.1930 6.1930 6.3679 6.3679 6.4251 6.4251 6.5931 6.5931 6.9882 6.9882 7.2425 7.2425 k = 0.4444 0.4444-0.0000 ( 7874 PWs) bands (ev): -18.6735 -18.6735 -18.6596 -18.6596 -18.4005 -18.4005 -18.3998 -18.3998 -16.9432 -16.9432 -16.9202 -16.9202 -16.5638 -16.5638 -16.5633 -16.5633 -11.1438 -11.1438 -11.1166 -11.1166 -7.8615 -7.8615 -7.8572 -7.8572 -7.5040 -7.5040 -7.4815 -7.4815 -7.1798 -7.1798 -7.1748 -7.1748 -5.1533 -5.1533 -5.1446 -5.1446 -5.0701 -5.0701 -5.0325 -5.0325 -4.9088 -4.9088 -4.8878 -4.8878 -4.7177 -4.7177 -4.7014 -4.7014 -1.3207 -1.3207 -1.3138 -1.3138 -0.8698 -0.8698 -0.7978 -0.7978 -0.4694 -0.4694 -0.3501 -0.3501 -0.0125 -0.0125 0.0858 0.0858 6.1330 6.1330 6.3675 6.3675 6.4352 6.4352 6.6384 6.6384 6.9389 6.9389 7.2509 7.2509 k = 0.4306 0.4306-0.0000 ( 7882 PWs) bands (ev): -18.6776 -18.6776 -18.6560 -18.6560 -18.4003 -18.4003 -18.3993 -18.3993 -16.9495 -16.9495 -16.9138 -16.9138 -16.5640 -16.5640 -16.5633 -16.5633 -11.1514 -11.1514 -11.1091 -11.1091 -7.8616 -7.8616 -7.8558 -7.8558 -7.5096 -7.5096 -7.4753 -7.4753 -7.1816 -7.1816 -7.1743 -7.1743 -5.1556 -5.1556 -5.1417 -5.1417 -5.0821 -5.0821 -5.0263 -5.0263 -4.9075 -4.9075 -4.8774 -4.8774 -4.7254 -4.7254 -4.7005 -4.7005 -1.3216 -1.3216 -1.3118 -1.3118 -0.8877 -0.8877 -0.7780 -0.7780 -0.5016 -0.5016 -0.3242 -0.3242 -0.0362 -0.0362 0.1111 0.1111 6.0752 6.0752 6.3668 6.3668 6.4480 6.4480 6.6429 6.6429 6.9372 6.9372 7.2617 7.2617 k = 0.4167 0.4167-0.0000 ( 7878 PWs) bands (ev): -18.6825 -18.6825 -18.6516 -18.6516 -18.4001 -18.4001 -18.3988 -18.3988 -16.9572 -16.9572 -16.9061 -16.9061 -16.5641 -16.5641 -16.5633 -16.5633 -11.1604 -11.1604 -11.1000 -11.1000 -7.8616 -7.8616 -7.8542 -7.8542 -7.5162 -7.5162 -7.4680 -7.4680 -7.1838 -7.1838 -7.1740 -7.1740 -5.1584 -5.1584 -5.1381 -5.1381 -5.0951 -5.0951 -5.0189 -5.0189 -4.9059 -4.9059 -4.8661 -4.8661 -4.7343 -4.7343 -4.6993 -4.6993 -1.3226 -1.3226 -1.3099 -1.3099 -0.9074 -0.9074 -0.7536 -0.7536 -0.5371 -0.5371 -0.2948 -0.2948 -0.0646 -0.0646 0.1384 0.1384 6.0196 6.0196 6.3659 6.3659 6.4634 6.4634 6.6043 6.6043 6.9854 6.9854 7.2748 7.2748 k = 0.4028 0.4028-0.0000 ( 7866 PWs) bands (ev): -18.6881 -18.6881 -18.6465 -18.6465 -18.3999 -18.3999 -18.3982 -18.3982 -16.9661 -16.9661 -16.8972 -16.8972 -16.5642 -16.5642 -16.5633 -16.5633 -11.1710 -11.1710 -11.0894 -11.0894 -7.8614 -7.8614 -7.8522 -7.8522 -7.5237 -7.5237 -7.4598 -7.4598 -7.1863 -7.1863 -7.1737 -7.1737 -5.1619 -5.1619 -5.1336 -5.1336 -5.1088 -5.1088 -5.0104 -5.0104 -4.9042 -4.9042 -4.8544 -4.8544 -4.7442 -4.7442 -4.6980 -4.6980 -1.3238 -1.3238 -1.3084 -1.3084 -0.9282 -0.9282 -0.7245 -0.7245 -0.5752 -0.5752 -0.2626 -0.2626 -0.0976 -0.0976 0.1668 0.1668 5.9657 5.9657 6.3647 6.3647 6.4813 6.4813 6.5456 6.5456 7.0609 7.0609 7.2903 7.2903 k = 0.3889 0.3889-0.0000 ( 7878 PWs) bands (ev): -18.6944 -18.6944 -18.6406 -18.6406 -18.3997 -18.3997 -18.3976 -18.3976 -16.9764 -16.9764 -16.8872 -16.8872 -16.5643 -16.5643 -16.5633 -16.5633 -11.1829 -11.1829 -11.0773 -11.0773 -7.8610 -7.8610 -7.8500 -7.8500 -7.5322 -7.5322 -7.4508 -7.4508 -7.1891 -7.1891 -7.1737 -7.1737 -5.1663 -5.1663 -5.1292 -5.1292 -5.1221 -5.1221 -5.0009 -5.0009 -4.9022 -4.9022 -4.8424 -4.8424 -4.7548 -4.7548 -4.6964 -4.6964 -1.3252 -1.3252 -1.3075 -1.3075 -0.9497 -0.9497 -0.6908 -0.6908 -0.6150 -0.6150 -0.2281 -0.2281 -0.1349 -0.1349 0.1958 0.1958 5.9132 5.9132 6.3631 6.3631 6.4811 6.4811 6.5017 6.5017 7.1492 7.1492 7.3080 7.3080 k = 0.3750 0.3750-0.0000 ( 7884 PWs) bands (ev): -18.7012 -18.7012 -18.6341 -18.6341 -18.3994 -18.3994 -18.3970 -18.3970 -16.9878 -16.9878 -16.8760 -16.8760 -16.5644 -16.5644 -16.5633 -16.5633 -11.1961 -11.1961 -11.0639 -11.0639 -7.8604 -7.8604 -7.8476 -7.8476 -7.5413 -7.5413 -7.4412 -7.4412 -7.1923 -7.1923 -7.1740 -7.1740 -5.1715 -5.1715 -5.1387 -5.1387 -5.1210 -5.1210 -4.9905 -4.9905 -4.9001 -4.9001 -4.8303 -4.8303 -4.7658 -4.7658 -4.6946 -4.6946 -1.3267 -1.3267 -1.3072 -1.3072 -0.9715 -0.9715 -0.6561 -0.6561 -0.6526 -0.6526 -0.1920 -0.1920 -0.1759 -0.1759 0.2248 0.2248 5.8615 5.8615 6.3609 6.3609 6.4173 6.4173 6.5239 6.5239 7.2444 7.2444 7.3281 7.3281 k = 0.3611 0.3611-0.0000 ( 7886 PWs) bands (ev): -18.7086 -18.7086 -18.6268 -18.6268 -18.3991 -18.3991 -18.3964 -18.3964 -17.0003 -17.0003 -16.8639 -16.8639 -16.5646 -16.5646 -16.5634 -16.5634 -11.2105 -11.2105 -11.0492 -11.0492 -7.8594 -7.8594 -7.8449 -7.8449 -7.5511 -7.5511 -7.4310 -7.4310 -7.1957 -7.1957 -7.1747 -7.1747 -5.1775 -5.1775 -5.1534 -5.1534 -5.1138 -5.1138 -4.9793 -4.9793 -4.8978 -4.8978 -4.8183 -4.8183 -4.7770 -4.7770 -4.6925 -4.6925 -1.3284 -1.3284 -1.3078 -1.3078 -0.9933 -0.9933 -0.6979 -0.6979 -0.6102 -0.6102 -0.2210 -0.2210 -0.1539 -0.1539 0.2535 0.2535 5.8102 5.8102 6.3546 6.3546 6.3597 6.3597 6.5482 6.5482 7.3437 7.3437 7.3507 7.3507 k = 0.3472 0.3472-0.0000 ( 7884 PWs) bands (ev): -18.7163 -18.7163 -18.6188 -18.6188 -18.3988 -18.3988 -18.3958 -18.3958 -17.0139 -17.0139 -16.8509 -16.8509 -16.5647 -16.5647 -16.5634 -16.5634 -11.2258 -11.2258 -11.0334 -11.0334 -7.8581 -7.8581 -7.8421 -7.8421 -7.5615 -7.5615 -7.4206 -7.4206 -7.1994 -7.1994 -7.1757 -7.1757 -5.1846 -5.1846 -5.1684 -5.1684 -5.1054 -5.1054 -4.9672 -4.9672 -4.8954 -4.8954 -4.8063 -4.8063 -4.7879 -4.7879 -4.6903 -4.6903 -1.3302 -1.3302 -1.3093 -1.3093 -1.0150 -1.0150 -0.7403 -0.7403 -0.5638 -0.5638 -0.2690 -0.2690 -0.1148 -0.1148 0.2817 0.2817 5.7589 5.7589 6.2990 6.2990 6.3549 6.3549 6.5743 6.5743 7.3749 7.3749 7.4000 7.4000 k = 0.3333 0.3333-0.0000 ( 7886 PWs) bands (ev): -18.7244 -18.7244 -18.6103 -18.6103 -18.3984 -18.3984 -18.3952 -18.3952 -17.0284 -17.0284 -16.8372 -16.8372 -16.5648 -16.5648 -16.5634 -16.5634 -11.2422 -11.2422 -11.0164 -11.0164 -7.8564 -7.8564 -7.8390 -7.8390 -7.5724 -7.5724 -7.4099 -7.4099 -7.2033 -7.2033 -7.1772 -7.1772 -5.1927 -5.1927 -5.1835 -5.1835 -5.0961 -5.0961 -4.9544 -4.9544 -4.8930 -4.8930 -4.7989 -4.7989 -4.7940 -4.7940 -4.6878 -4.6878 -1.3322 -1.3322 -1.3116 -1.3116 -1.0363 -1.0363 -0.7828 -0.7828 -0.5137 -0.5137 -0.3198 -0.3198 -0.0748 -0.0748 0.3092 0.3092 5.7073 5.7073 6.2470 6.2470 6.3505 6.3505 6.6018 6.6018 7.3902 7.3902 7.4017 7.4017 k = 0.3194 0.3194-0.0000 ( 7870 PWs) bands (ev): -18.7328 -18.7328 -18.6011 -18.6011 -18.3980 -18.3980 -18.3946 -18.3946 -17.0439 -17.0439 -16.8228 -16.8228 -16.5649 -16.5649 -16.5634 -16.5634 -11.2593 -11.2593 -10.9985 -10.9985 -7.8544 -7.8544 -7.8358 -7.8358 -7.5836 -7.5836 -7.3993 -7.3993 -7.2073 -7.2073 -7.1792 -7.1792 -5.2017 -5.2017 -5.1986 -5.1986 -5.0857 -5.0857 -4.9410 -4.9410 -4.8905 -4.8905 -4.8086 -4.8086 -4.7824 -4.7824 -4.6852 -4.6852 -1.3343 -1.3343 -1.3146 -1.3146 -1.0571 -1.0571 -0.8253 -0.8253 -0.4603 -0.4603 -0.3730 -0.3730 -0.0340 -0.0340 0.3358 0.3358 5.6551 5.6551 6.2001 6.2001 6.3452 6.3452 6.6306 6.6306 7.2939 7.2939 7.4307 7.4307 k = 0.3056 0.3056-0.0000 ( 7874 PWs) bands (ev): -18.7414 -18.7414 -18.5914 -18.5914 -18.3977 -18.3977 -18.3941 -18.3941 -17.0601 -17.0601 -16.8078 -16.8078 -16.5650 -16.5650 -16.5635 -16.5635 -11.2771 -11.2771 -10.9798 -10.9798 -7.8520 -7.8520 -7.8324 -7.8324 -7.5951 -7.5951 -7.3887 -7.3887 -7.2116 -7.2116 -7.1817 -7.1817 -5.2136 -5.2136 -5.2117 -5.2117 -5.0746 -5.0746 -4.9269 -4.9269 -4.8881 -4.8881 -4.8177 -4.8177 -4.7709 -4.7709 -4.6823 -4.6823 -1.3365 -1.3365 -1.3184 -1.3184 -1.0774 -1.0774 -0.8674 -0.8674 -0.4284 -0.4284 -0.4039 -0.4039 0.0072 0.0072 0.3615 0.3615 5.6025 5.6025 6.1585 6.1585 6.3387 6.3387 6.6603 6.6603 7.1988 7.1988 7.4619 7.4619 k = 0.2917 0.2917-0.0000 ( 7872 PWs) bands (ev): -18.7501 -18.7501 -18.5812 -18.5812 -18.3973 -18.3973 -18.3936 -18.3936 -17.0770 -17.0770 -16.7925 -16.7925 -16.5651 -16.5651 -16.5635 -16.5635 -11.2954 -11.2954 -10.9604 -10.9604 -7.8492 -7.8492 -7.8289 -7.8289 -7.6068 -7.6068 -7.3783 -7.3783 -7.2159 -7.2159 -7.1848 -7.1848 -5.2284 -5.2284 -5.2226 -5.2226 -5.0625 -5.0625 -4.9122 -4.9122 -4.8856 -4.8856 -4.8259 -4.8259 -4.7596 -4.7596 -4.6793 -4.6793 -1.3388 -1.3388 -1.3227 -1.3227 -1.0971 -1.0971 -0.9091 -0.9091 -0.4853 -0.4853 -0.3450 -0.3450 0.0488 0.0488 0.3862 0.3862 5.5493 5.5493 6.1221 6.1221 6.3309 6.3309 6.6907 6.6907 7.1050 7.1050 7.4954 7.4954 k = 0.2778 0.2778-0.0000 ( 7878 PWs) bands (ev): -18.7588 -18.7588 -18.5705 -18.5705 -18.3969 -18.3969 -18.3932 -18.3932 -17.0946 -17.0946 -16.7768 -16.7768 -16.5652 -16.5652 -16.5635 -16.5635 -11.3142 -11.3142 -10.9403 -10.9403 -7.8461 -7.8461 -7.8253 -7.8253 -7.6186 -7.6186 -7.3682 -7.3682 -7.2203 -7.2203 -7.1884 -7.1884 -5.2430 -5.2430 -5.2343 -5.2343 -5.0498 -5.0498 -4.8970 -4.8970 -4.8832 -4.8832 -4.8331 -4.8331 -4.7485 -4.7485 -4.6760 -4.6760 -1.3413 -1.3413 -1.3276 -1.3276 -1.1160 -1.1160 -0.9502 -0.9502 -0.5435 -0.5435 -0.2841 -0.2841 0.0905 0.0905 0.4098 0.4098 5.4961 5.4961 6.0906 6.0906 6.3217 6.3217 6.7216 6.7216 7.0129 7.0129 7.5311 7.5311 k = 0.2639 0.2639-0.0000 ( 7877 PWs) bands (ev): -18.7675 -18.7675 -18.5594 -18.5594 -18.3965 -18.3965 -18.3928 -18.3928 -17.1126 -17.1126 -16.7609 -16.7609 -16.5653 -16.5653 -16.5635 -16.5635 -11.3331 -11.3331 -10.9199 -10.9199 -7.8427 -7.8427 -7.8216 -7.8216 -7.6305 -7.6305 -7.3585 -7.3585 -7.2248 -7.2248 -7.1925 -7.1925 -5.2573 -5.2573 -5.2467 -5.2467 -5.0365 -5.0365 -4.8817 -4.8817 -4.8805 -4.8805 -4.8393 -4.8393 -4.7377 -4.7377 -4.6727 -4.6727 -1.3440 -1.3440 -1.3327 -1.3327 -1.1343 -1.1343 -0.9904 -0.9904 -0.6025 -0.6025 -0.2216 -0.2216 0.1322 0.1322 0.4323 0.4323 5.4430 5.4430 6.0636 6.0636 6.3108 6.3108 6.7526 6.7526 6.9227 6.9227 7.5596 7.5596 k = 0.2500 0.2500-0.0000 ( 7867 PWs) bands (ev): -18.7762 -18.7762 -18.5480 -18.5480 -18.3961 -18.3961 -18.3925 -18.3925 -17.1309 -17.1309 -16.7450 -16.7450 -16.5653 -16.5653 -16.5636 -16.5636 -11.3521 -11.3521 -10.8992 -10.8992 -7.8390 -7.8390 -7.8179 -7.8179 -7.6423 -7.6423 -7.3493 -7.3493 -7.2293 -7.2293 -7.1970 -7.1970 -5.2712 -5.2712 -5.2594 -5.2594 -5.0228 -5.0228 -4.8788 -4.8788 -4.8650 -4.8650 -4.8444 -4.8444 -4.7272 -4.7272 -4.6692 -4.6692 -1.3471 -1.3471 -1.3380 -1.3380 -1.1517 -1.1517 -1.0296 -1.0296 -0.6618 -0.6618 -0.1578 -0.1578 0.1737 0.1737 0.4537 0.4537 5.3904 5.3904 6.0406 6.0406 6.2981 6.2981 6.7834 6.7834 6.8347 6.8347 7.5663 7.5663 k = 0.2361 0.2361-0.0000 ( 7877 PWs) bands (ev): -18.7847 -18.7847 -18.5363 -18.5363 -18.3957 -18.3957 -18.3922 -18.3922 -17.1496 -17.1496 -16.7291 -16.7291 -16.5654 -16.5654 -16.5636 -16.5636 -11.3711 -11.3711 -10.8783 -10.8783 -7.8350 -7.8350 -7.8141 -7.8141 -7.6541 -7.6541 -7.3407 -7.3407 -7.2338 -7.2338 -7.2020 -7.2020 -5.2848 -5.2848 -5.2725 -5.2725 -5.0088 -5.0088 -4.8767 -4.8767 -4.8507 -4.8507 -4.8464 -4.8464 -4.7171 -4.7171 -4.6656 -4.6656 -1.3508 -1.3508 -1.3431 -1.3431 -1.1684 -1.1684 -1.0676 -1.0676 -0.7212 -0.7212 -0.0933 -0.0933 0.2146 0.2146 0.4738 0.4738 5.3388 5.3388 6.0211 6.0211 6.2835 6.2835 6.7492 6.7492 6.8139 6.8139 7.5545 7.5545 k = 0.2222 0.2222-0.0000 ( 7881 PWs) bands (ev): -18.7930 -18.7930 -18.5244 -18.5244 -18.3953 -18.3953 -18.3920 -18.3920 -17.1683 -17.1683 -16.7134 -16.7134 -16.5655 -16.5655 -16.5636 -16.5636 -11.3900 -11.3900 -10.8575 -10.8575 -7.8309 -7.8309 -7.8103 -7.8103 -7.6656 -7.6656 -7.3326 -7.3326 -7.2382 -7.2382 -7.2073 -7.2073 -5.2979 -5.2979 -5.2857 -5.2857 -4.9947 -4.9947 -4.8748 -4.8748 -4.8525 -4.8525 -4.8309 -4.8309 -4.7074 -4.7074 -4.6619 -4.6619 -1.3554 -1.3554 -1.3474 -1.3474 -1.1842 -1.1842 -1.1043 -1.1043 -0.7800 -0.7800 -0.0286 -0.0286 0.2550 0.2550 0.4929 0.4929 5.2885 5.2885 6.0049 6.0049 6.2668 6.2668 6.6665 6.6665 6.8437 6.8437 7.5252 7.5252 k = 0.2083 0.2083-0.0000 ( 7885 PWs) bands (ev): -18.8010 -18.8010 -18.5124 -18.5124 -18.3949 -18.3949 -18.3918 -18.3918 -17.1870 -17.1870 -16.6980 -16.6980 -16.5655 -16.5655 -16.5637 -16.5637 -11.4085 -11.4085 -10.8369 -10.8369 -7.8266 -7.8266 -7.8066 -7.8066 -7.6770 -7.6770 -7.3252 -7.3252 -7.2425 -7.2425 -7.2130 -7.2130 -5.3106 -5.3106 -5.2989 -5.2989 -4.9807 -4.9807 -4.8730 -4.8730 -4.8550 -4.8550 -4.8135 -4.8135 -4.6981 -4.6981 -4.6582 -4.6582 -1.3608 -1.3608 -1.3509 -1.3509 -1.1992 -1.1992 -1.1396 -1.1396 -0.8380 -0.8380 0.0359 0.0359 0.2944 0.2944 0.5107 0.5107 5.2399 5.2399 5.9913 5.9913 6.2480 6.2480 6.5869 6.5869 6.8726 6.8726 7.4851 7.4851 k = 0.1944 0.1944-0.0000 ( 7895 PWs) bands (ev): -18.8088 -18.8088 -18.5003 -18.5003 -18.3945 -18.3945 -18.3916 -18.3916 -17.2056 -17.2056 -16.6829 -16.6829 -16.5655 -16.5655 -16.5637 -16.5637 -11.4265 -11.4265 -10.8166 -10.8166 -7.8222 -7.8222 -7.8029 -7.8029 -7.6880 -7.6880 -7.3184 -7.3184 -7.2467 -7.2467 -7.2189 -7.2189 -5.3226 -5.3226 -5.3118 -5.3118 -4.9669 -4.9669 -4.8714 -4.8714 -4.8568 -4.8568 -4.7959 -4.7959 -4.6892 -4.6892 -4.6545 -4.6545 -1.3668 -1.3668 -1.3542 -1.3542 -1.2133 -1.2133 -1.1733 -1.1733 -0.8946 -0.8946 0.0996 0.0996 0.3328 0.3328 0.5274 0.5274 5.1932 5.1932 5.9802 5.9802 6.2271 6.2271 6.5105 6.5105 6.9004 6.9004 7.4403 7.4403 k = 0.1806 0.1806-0.0000 ( 7905 PWs) bands (ev): -18.8162 -18.8162 -18.4884 -18.4884 -18.3942 -18.3942 -18.3915 -18.3915 -17.2239 -17.2239 -16.6684 -16.6684 -16.5656 -16.5656 -16.5637 -16.5637 -11.4439 -11.4439 -10.7968 -10.7968 -7.8179 -7.8179 -7.7992 -7.7992 -7.6986 -7.6986 -7.3123 -7.3123 -7.2508 -7.2508 -7.2249 -7.2249 -5.3341 -5.3341 -5.3243 -5.3243 -4.9535 -4.9535 -4.8700 -4.8700 -4.8580 -4.8580 -4.7780 -4.7780 -4.6807 -4.6807 -4.6509 -4.6509 -1.3729 -1.3729 -1.3573 -1.3573 -1.2265 -1.2265 -1.2053 -1.2053 -0.9494 -0.9494 0.1621 0.1621 0.3700 0.3700 0.5428 0.5428 5.1487 5.1487 5.9711 5.9711 6.2041 6.2041 6.4378 6.4378 6.9269 6.9269 7.3949 7.3949 k = 0.1667 0.1667-0.0000 ( 7925 PWs) bands (ev): -18.8232 -18.8232 -18.4766 -18.4766 -18.3938 -18.3938 -18.3914 -18.3914 -17.2417 -17.2417 -16.6544 -16.6544 -16.5656 -16.5656 -16.5637 -16.5637 -11.4607 -11.4607 -10.7777 -10.7777 -7.8136 -7.8136 -7.7957 -7.7957 -7.7088 -7.7088 -7.3069 -7.3069 -7.2547 -7.2547 -7.2309 -7.2309 -5.3449 -5.3449 -5.3363 -5.3363 -4.9407 -4.9407 -4.8688 -4.8688 -4.8587 -4.8587 -4.7602 -4.7602 -4.6727 -4.6727 -4.6473 -4.6473 -1.3790 -1.3790 -1.3604 -1.3604 -1.2389 -1.2389 -1.2353 -1.2353 -1.0021 -1.0021 0.2229 0.2229 0.4056 0.4056 0.5571 0.5571 5.1067 5.1067 5.9637 5.9637 6.1794 6.1794 6.3690 6.3690 6.9520 6.9520 7.3510 7.3510 k = 0.1528 0.1528-0.0000 ( 7907 PWs) bands (ev): -18.8298 -18.8298 -18.4651 -18.4651 -18.3935 -18.3935 -18.3913 -18.3913 -17.2590 -17.2590 -16.6412 -16.6412 -16.5657 -16.5657 -16.5637 -16.5637 -11.4765 -11.4765 -10.7593 -10.7593 -7.8094 -7.8094 -7.7922 -7.7922 -7.7184 -7.7184 -7.3021 -7.3021 -7.2583 -7.2583 -7.2369 -7.2369 -5.3550 -5.3550 -5.3476 -5.3476 -4.9285 -4.9285 -4.8678 -4.8678 -4.8590 -4.8590 -4.7425 -4.7425 -4.6653 -4.6653 -4.6438 -4.6438 -1.3848 -1.3848 -1.3636 -1.3636 -1.2637 -1.2637 -1.2499 -1.2499 -1.0520 -1.0520 0.2815 0.2815 0.4396 0.4396 0.5702 0.5702 5.0674 5.0674 5.9578 5.9578 6.1531 6.1531 6.3043 6.3043 6.9755 6.9755 7.3099 7.3099 k = 0.1389 0.1389-0.0000 ( 7911 PWs) bands (ev): -18.8359 -18.8359 -18.4540 -18.4540 -18.3932 -18.3932 -18.3912 -18.3912 -17.2754 -17.2754 -16.6288 -16.6288 -16.5657 -16.5657 -16.5638 -16.5638 -11.4914 -11.4914 -10.7420 -10.7420 -7.8054 -7.8054 -7.7889 -7.7889 -7.7274 -7.7274 -7.2980 -7.2980 -7.2617 -7.2617 -7.2426 -7.2426 -5.3644 -5.3644 -5.3582 -5.3582 -4.9172 -4.9172 -4.8668 -4.8668 -4.8590 -4.8590 -4.7252 -4.7252 -4.6583 -4.6583 -4.6405 -4.6405 -1.3905 -1.3905 -1.3671 -1.3671 -1.2898 -1.2898 -1.2604 -1.2604 -1.0987 -1.0987 0.3372 0.3372 0.4715 0.4715 0.5821 0.5821 5.0310 5.0310 5.9531 5.9531 6.1259 6.1259 6.2442 6.2442 6.9972 6.9972 7.2724 7.2724 k = 0.1250 0.1250-0.0000 ( 7921 PWs) bands (ev): -18.8416 -18.8416 -18.4434 -18.4434 -18.3929 -18.3929 -18.3911 -18.3911 -17.2910 -17.2910 -16.6172 -16.6172 -16.5657 -16.5657 -16.5638 -16.5638 -11.5053 -11.5053 -10.7258 -10.7258 -7.8018 -7.8018 -7.7857 -7.7857 -7.7358 -7.7358 -7.2947 -7.2947 -7.2648 -7.2648 -7.2481 -7.2481 -5.3730 -5.3730 -5.3680 -5.3680 -4.9068 -4.9068 -4.8660 -4.8660 -4.8587 -4.8587 -4.7085 -4.7085 -4.6520 -4.6520 -4.6373 -4.6373 -1.3959 -1.3959 -1.3710 -1.3710 -1.3137 -1.3137 -1.2698 -1.2698 -1.1417 -1.1417 0.3897 0.3897 0.5012 0.5012 0.5929 0.5929 4.9976 4.9976 5.9495 5.9495 6.0982 6.0982 6.1888 6.1888 7.0172 7.0172 7.2387 7.2387 k = 0.1111 0.1111-0.0000 ( 7935 PWs) bands (ev): -18.8467 -18.8467 -18.4334 -18.4334 -18.3927 -18.3927 -18.3911 -18.3911 -17.3055 -17.3055 -16.6067 -16.6067 -16.5657 -16.5657 -16.5638 -16.5638 -11.5179 -11.5179 -10.7108 -10.7108 -7.7986 -7.7986 -7.7827 -7.7827 -7.7434 -7.7434 -7.2920 -7.2920 -7.2675 -7.2675 -7.2533 -7.2533 -5.3809 -5.3809 -5.3769 -5.3769 -4.8975 -4.8975 -4.8652 -4.8652 -4.8583 -4.8583 -4.6926 -4.6926 -4.6462 -4.6462 -4.6344 -4.6344 -1.4009 -1.4009 -1.3753 -1.3753 -1.3354 -1.3354 -1.2783 -1.2783 -1.1805 -1.1805 0.4383 0.4383 0.5285 0.5285 0.6025 0.6025 4.9673 4.9673 5.9466 5.9466 6.0706 6.0706 6.1384 6.1384 7.0352 7.0352 7.2090 7.2090 k = 0.0972 0.0972-0.0000 ( 7929 PWs) bands (ev): -18.8513 -18.8513 -18.4242 -18.4242 -18.3925 -18.3925 -18.3910 -18.3910 -17.3187 -17.3187 -16.5972 -16.5972 -16.5657 -16.5657 -16.5638 -16.5638 -11.5294 -11.5294 -10.6972 -10.6972 -7.7957 -7.7957 -7.7799 -7.7799 -7.7501 -7.7501 -7.2901 -7.2901 -7.2697 -7.2697 -7.2579 -7.2579 -5.3878 -5.3878 -5.3848 -5.3848 -4.8893 -4.8893 -4.8643 -4.8643 -4.8578 -4.8578 -4.6778 -4.6778 -4.6411 -4.6411 -4.6316 -4.6316 -1.4055 -1.4055 -1.3804 -1.3804 -1.3545 -1.3545 -1.2858 -1.2858 -1.2145 -1.2145 0.4826 0.4826 0.5532 0.5532 0.6110 0.6110 4.9404 4.9404 5.9445 5.9445 6.0441 6.0441 6.0933 6.0933 7.0513 7.0513 7.1834 7.1834 k = 0.0833 0.0833-0.0000 ( 7921 PWs) bands (ev): -18.8553 -18.8553 -18.4160 -18.4160 -18.3923 -18.3923 -18.3910 -18.3910 -17.3306 -17.3306 -16.5888 -16.5888 -16.5657 -16.5657 -16.5638 -16.5638 -11.5394 -11.5394 -10.6852 -10.6852 -7.7935 -7.7935 -7.7774 -7.7774 -7.7558 -7.7558 -7.2890 -7.2890 -7.2714 -7.2714 -7.2619 -7.2619 -5.3939 -5.3939 -5.3917 -5.3917 -4.8822 -4.8822 -4.8633 -4.8633 -4.8573 -4.8573 -4.6644 -4.6644 -4.6366 -4.6366 -4.6291 -4.6291 -1.4098 -1.4098 -1.3865 -1.3865 -1.3712 -1.3712 -1.2923 -1.2923 -1.2433 -1.2433 0.5222 0.5222 0.5751 0.5751 0.6184 0.6184 4.9168 4.9168 5.9428 5.9428 6.0191 6.0191 6.0538 6.0538 7.0653 7.0653 7.1617 7.1617 k = 0.0694 0.0694-0.0000 ( 7917 PWs) bands (ev): -18.8587 -18.8587 -18.4087 -18.4087 -18.3922 -18.3922 -18.3909 -18.3909 -17.3409 -17.3409 -16.5817 -16.5817 -16.5657 -16.5657 -16.5638 -16.5638 -11.5480 -11.5480 -10.6749 -10.6749 -7.7917 -7.7917 -7.7751 -7.7751 -7.7606 -7.7606 -7.2886 -7.2886 -7.2724 -7.2724 -7.2654 -7.2654 -5.3992 -5.3992 -5.3976 -5.3976 -4.8765 -4.8765 -4.8621 -4.8621 -4.8569 -4.8569 -4.6526 -4.6526 -4.6328 -4.6328 -4.6268 -4.6268 -1.4136 -1.4136 -1.3935 -1.3935 -1.3850 -1.3850 -1.2977 -1.2977 -1.2663 -1.2663 0.5564 0.5564 0.5940 0.5940 0.6247 0.6247 4.8967 4.8967 5.9415 5.9415 5.9965 5.9965 6.0202 6.0202 7.0772 7.0772 7.1437 7.1437 k = 0.0556 0.0556-0.0000 ( 7905 PWs) bands (ev): -18.8615 -18.8615 -18.4027 -18.4027 -18.3920 -18.3920 -18.3909 -18.3909 -17.3496 -17.3496 -16.5758 -16.5758 -16.5656 -16.5656 -16.5638 -16.5638 -11.5552 -11.5552 -10.6662 -10.6662 -7.7907 -7.7907 -7.7731 -7.7731 -7.7642 -7.7642 -7.2888 -7.2888 -7.2729 -7.2729 -7.2681 -7.2681 -5.4035 -5.4035 -5.4025 -5.4025 -4.8723 -4.8723 -4.8607 -4.8607 -4.8565 -4.8565 -4.6428 -4.6428 -4.6295 -4.6295 -4.6248 -4.6248 -1.4172 -1.4172 -1.4012 -1.4012 -1.3958 -1.3958 -1.3023 -1.3023 -1.2839 -1.2839 0.5849 0.5849 0.6098 0.6098 0.6300 0.6300 4.8802 4.8802 5.9404 5.9404 5.9769 5.9769 5.9926 5.9926 7.0870 7.0870 7.1294 7.1294 k = 0.0417 0.0417-0.0000 ( 7903 PWs) bands (ev): -18.8637 -18.8637 -18.3979 -18.3979 -18.3919 -18.3919 -18.3908 -18.3908 -17.3564 -17.3564 -16.5712 -16.5712 -16.5654 -16.5654 -16.5638 -16.5638 -11.5608 -11.5608 -10.6594 -10.6594 -7.7901 -7.7901 -7.7716 -7.7716 -7.7668 -7.7668 -7.2893 -7.2893 -7.2730 -7.2730 -7.2703 -7.2703 -5.4069 -5.4069 -5.4063 -5.4063 -4.8696 -4.8696 -4.8589 -4.8589 -4.8562 -4.8562 -4.6353 -4.6353 -4.6267 -4.6267 -4.6232 -4.6232 -1.4208 -1.4208 -1.4081 -1.4081 -1.4042 -1.4042 -1.3058 -1.3058 -1.2963 -1.2963 0.6070 0.6070 0.6223 0.6223 0.6343 0.6343 4.8672 4.8672 5.9390 5.9390 5.9612 5.9612 5.9714 5.9714 7.0947 7.0947 7.1184 7.1184 k = 0.0278 0.0278-0.0000 ( 7891 PWs) bands (ev): -18.8653 -18.8653 -18.3945 -18.3945 -18.3917 -18.3917 -18.3908 -18.3908 -17.3614 -17.3614 -16.5683 -16.5683 -16.5650 -16.5650 -16.5638 -16.5638 -11.5649 -11.5649 -10.6545 -10.6545 -7.7900 -7.7900 -7.7704 -7.7704 -7.7684 -7.7684 -7.2899 -7.2899 -7.2730 -7.2730 -7.2717 -7.2717 -5.4092 -5.4092 -5.4090 -5.4090 -4.8681 -4.8681 -4.8573 -4.8573 -4.8559 -4.8559 -4.6306 -4.6306 -4.6240 -4.6240 -4.6219 -4.6219 -1.4243 -1.4243 -1.4127 -1.4127 -1.4105 -1.4105 -1.3083 -1.3083 -1.3044 -1.3044 0.6220 0.6220 0.6320 0.6320 0.6378 0.6378 4.8580 4.8580 5.9365 5.9365 5.9507 5.9507 5.9565 5.9565 7.1002 7.1002 7.1107 7.1107 k = 0.0139 0.0139-0.0000 ( 7877 PWs) bands (ev): -18.8663 -18.8663 -18.3928 -18.3928 -18.3911 -18.3911 -18.3907 -18.3907 -17.3644 -17.3644 -16.5671 -16.5671 -16.5642 -16.5642 -16.5638 -16.5638 -11.5673 -11.5673 -10.6515 -10.6515 -7.7900 -7.7900 -7.7697 -7.7697 -7.7692 -7.7692 -7.2903 -7.2903 -7.2729 -7.2729 -7.2726 -7.2726 -5.4107 -5.4107 -5.4106 -5.4106 -4.8673 -4.8673 -4.8561 -4.8561 -4.8558 -4.8558 -4.6284 -4.6284 -4.6217 -4.6217 -4.6211 -4.6211 -1.4270 -1.4270 -1.4151 -1.4151 -1.4145 -1.4145 -1.3098 -1.3098 -1.3089 -1.3089 0.6295 0.6295 0.6389 0.6389 0.6405 0.6405 4.8524 4.8524 5.9329 5.9329 5.9461 5.9461 5.9479 5.9479 7.1035 7.1035 7.1061 7.1061 k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -18.8666 -18.8666 -18.3925 -18.3925 -18.3907 -18.3907 -18.3907 -18.3907 -17.3654 -17.3654 -16.5668 -16.5668 -16.5638 -16.5638 -16.5638 -16.5638 -11.5682 -11.5682 -10.6505 -10.6505 -7.7900 -7.7900 -7.7695 -7.7695 -7.7695 -7.7695 -7.2905 -7.2905 -7.2729 -7.2729 -7.2729 -7.2729 -5.4112 -5.4112 -5.4112 -5.4112 -4.8671 -4.8671 -4.8558 -4.8558 -4.8558 -4.8558 -4.6277 -4.6277 -4.6208 -4.6208 -4.6208 -4.6208 -1.4280 -1.4280 -1.4158 -1.4158 -1.4158 -1.4158 -1.3103 -1.3103 -1.3103 -1.3103 0.6315 0.6315 0.6415 0.6415 0.6415 0.6415 4.8506 4.8506 5.9312 5.9312 5.9451 5.9451 5.9451 5.9451 7.1046 7.1046 7.1046 7.1046 k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -18.8666 -18.8666 -18.3925 -18.3925 -18.3907 -18.3907 -18.3907 -18.3907 -17.3654 -17.3654 -16.5668 -16.5668 -16.5638 -16.5638 -16.5638 -16.5638 -11.5682 -11.5682 -10.6505 -10.6505 -7.7900 -7.7900 -7.7695 -7.7695 -7.7695 -7.7695 -7.2905 -7.2905 -7.2729 -7.2729 -7.2729 -7.2729 -5.4112 -5.4112 -5.4112 -5.4112 -4.8671 -4.8671 -4.8558 -4.8558 -4.8558 -4.8558 -4.6277 -4.6277 -4.6208 -4.6208 -4.6208 -4.6208 -1.4280 -1.4280 -1.4158 -1.4158 -1.4158 -1.4158 -1.3103 -1.3103 -1.3103 -1.3103 0.6315 0.6315 0.6415 0.6415 0.6415 0.6415 4.8506 4.8506 5.9312 5.9312 5.9451 5.9451 5.9451 5.9451 7.1046 7.1046 7.1046 7.1046 k = 0.0114 0.0114 0.0114 ( 7875 PWs) bands (ev): -18.8663 -18.8663 -18.3928 -18.3928 -18.3911 -18.3911 -18.3907 -18.3907 -17.3644 -17.3644 -16.5671 -16.5671 -16.5642 -16.5642 -16.5638 -16.5638 -11.5673 -11.5673 -10.6515 -10.6515 -7.7900 -7.7900 -7.7697 -7.7697 -7.7692 -7.7692 -7.2903 -7.2903 -7.2729 -7.2729 -7.2727 -7.2727 -5.4106 -5.4106 -5.4106 -5.4106 -4.8673 -4.8673 -4.8561 -4.8561 -4.8558 -4.8558 -4.6284 -4.6284 -4.6218 -4.6218 -4.6210 -4.6210 -1.4270 -1.4270 -1.4151 -1.4151 -1.4145 -1.4145 -1.3094 -1.3094 -1.3093 -1.3093 0.6295 0.6295 0.6387 0.6387 0.6407 0.6407 4.8524 4.8524 5.9329 5.9329 5.9461 5.9461 5.9480 5.9480 7.1048 7.1048 7.1048 7.1048 k = 0.0227 0.0227 0.0227 ( 7887 PWs) bands (ev): -18.8653 -18.8653 -18.3944 -18.3944 -18.3917 -18.3917 -18.3908 -18.3908 -17.3614 -17.3614 -16.5683 -16.5683 -16.5650 -16.5650 -16.5638 -16.5638 -11.5649 -11.5649 -10.6545 -10.6545 -7.7899 -7.7899 -7.7703 -7.7703 -7.7685 -7.7685 -7.2899 -7.2899 -7.2729 -7.2729 -7.2719 -7.2719 -5.4091 -5.4091 -5.4091 -5.4091 -4.8681 -4.8681 -4.8573 -4.8573 -4.8559 -4.8559 -4.6305 -4.6305 -4.6246 -4.6246 -4.6214 -4.6214 -1.4243 -1.4243 -1.4126 -1.4126 -1.4106 -1.4106 -1.3064 -1.3064 -1.3061 -1.3061 0.6222 0.6222 0.6302 0.6302 0.6394 0.6394 4.8580 4.8580 5.9359 5.9359 5.9512 5.9512 5.9567 5.9567 7.1054 7.1054 7.1055 7.1055 k = 0.0341 0.0341 0.0341 ( 7899 PWs) bands (ev): -18.8637 -18.8637 -18.3978 -18.3978 -18.3919 -18.3919 -18.3909 -18.3909 -17.3564 -17.3564 -16.5713 -16.5713 -16.5654 -16.5654 -16.5638 -16.5638 -11.5608 -11.5608 -10.6595 -10.6595 -7.7900 -7.7900 -7.7713 -7.7713 -7.7671 -7.7671 -7.2892 -7.2892 -7.2727 -7.2727 -7.2707 -7.2707 -5.4066 -5.4066 -5.4065 -5.4065 -4.8696 -4.8696 -4.8589 -4.8589 -4.8562 -4.8562 -4.6346 -4.6346 -4.6291 -4.6291 -4.6215 -4.6215 -1.4207 -1.4207 -1.4081 -1.4081 -1.4046 -1.4046 -1.3010 -1.3010 -1.3004 -1.3004 0.6088 0.6088 0.6162 0.6162 0.6385 0.6385 4.8673 4.8673 5.9369 5.9369 5.9636 5.9636 5.9711 5.9711 7.1065 7.1065 7.1066 7.1066 k = 0.0455 0.0455 0.0455 ( 7905 PWs) bands (ev): -18.8615 -18.8615 -18.4026 -18.4026 -18.3921 -18.3921 -18.3909 -18.3909 -17.3495 -17.3495 -16.5758 -16.5758 -16.5656 -16.5656 -16.5638 -16.5638 -11.5552 -11.5552 -10.6663 -10.6663 -7.7905 -7.7905 -7.7727 -7.7727 -7.7649 -7.7649 -7.2883 -7.2883 -7.2724 -7.2724 -7.2690 -7.2690 -5.4030 -5.4030 -5.4029 -5.4029 -4.8723 -4.8723 -4.8607 -4.8607 -4.8565 -4.8565 -4.6406 -4.6406 -4.6354 -4.6354 -4.6212 -4.6212 -1.4170 -1.4170 -1.4016 -1.4016 -1.3973 -1.3973 -1.2927 -1.2927 -1.2915 -1.2915 0.5897 0.5897 0.5968 0.5968 0.6379 0.6379 4.8803 4.8803 5.9364 5.9364 5.9826 5.9826 5.9909 5.9909 7.1082 7.1082 7.1084 7.1084 k = 0.0568 0.0568 0.0568 ( 7923 PWs) bands (ev): -18.8587 -18.8587 -18.4086 -18.4086 -18.3922 -18.3922 -18.3911 -18.3911 -17.3409 -17.3409 -16.5817 -16.5817 -16.5657 -16.5657 -16.5638 -16.5638 -11.5480 -11.5480 -10.6749 -10.6749 -7.7913 -7.7913 -7.7744 -7.7744 -7.7618 -7.7618 -7.2875 -7.2875 -7.2718 -7.2718 -7.2669 -7.2669 -5.3984 -5.3984 -5.3984 -5.3984 -4.8763 -4.8763 -4.8623 -4.8623 -4.8570 -4.8570 -4.6483 -4.6483 -4.6434 -4.6434 -4.6206 -4.6206 -1.4131 -1.4131 -1.3938 -1.3938 -1.3895 -1.3895 -1.2806 -1.2806 -1.2787 -1.2787 0.5653 0.5653 0.5722 0.5722 0.6374 0.6374 4.8968 4.8968 5.9351 5.9351 6.0071 6.0071 6.0156 6.0156 7.1105 7.1105 7.1109 7.1109 k = 0.0682 0.0682 0.0682 ( 7932 PWs) bands (ev): -18.8553 -18.8553 -18.4158 -18.4158 -18.3923 -18.3923 -18.3912 -18.3912 -17.3306 -17.3306 -16.5889 -16.5889 -16.5657 -16.5657 -16.5638 -16.5638 -11.5394 -11.5394 -10.6852 -10.6852 -7.7926 -7.7926 -7.7764 -7.7764 -7.7580 -7.7580 -7.2867 -7.2867 -7.2708 -7.2708 -7.2645 -7.2645 -5.3928 -5.3928 -5.3928 -5.3928 -4.8817 -4.8817 -4.8636 -4.8636 -4.8577 -4.8577 -4.6575 -4.6575 -4.6527 -4.6527 -4.6198 -4.6198 -1.4090 -1.4090 -1.3860 -1.3860 -1.3822 -1.3822 -1.2639 -1.2639 -1.2612 -1.2612 0.5359 0.5359 0.5426 0.5426 0.6368 0.6368 4.9169 4.9169 5.9335 5.9335 6.0361 6.0361 6.0447 6.0447 7.1138 7.1138 7.1144 7.1144 k = 0.0795 0.0795 0.0795 ( 7926 PWs) bands (ev): -18.8513 -18.8513 -18.4239 -18.4239 -18.3925 -18.3925 -18.3913 -18.3913 -17.3189 -17.3189 -16.5972 -16.5972 -16.5657 -16.5657 -16.5637 -16.5637 -11.5294 -11.5294 -10.6971 -10.6971 -7.7943 -7.7943 -7.7786 -7.7786 -7.7534 -7.7534 -7.2861 -7.2861 -7.2692 -7.2692 -7.2618 -7.2618 -5.3863 -5.3863 -5.3862 -5.3862 -4.8883 -4.8883 -4.8649 -4.8649 -4.8584 -4.8584 -4.6680 -4.6680 -4.6633 -4.6633 -4.6187 -4.6187 -1.4045 -1.4045 -1.3790 -1.3790 -1.3757 -1.3757 -1.2423 -1.2423 -1.2386 -1.2386 0.5020 0.5020 0.5086 0.5086 0.6362 0.6362 4.9405 4.9405 5.9318 5.9318 6.0691 6.0691 6.0777 6.0777 7.1181 7.1181 7.1189 7.1189 k = 0.0909 0.0909 0.0909 ( 7914 PWs) bands (ev): -18.8468 -18.8468 -18.4329 -18.4329 -18.3926 -18.3926 -18.3915 -18.3915 -17.3058 -17.3058 -16.6065 -16.6065 -16.5657 -16.5657 -16.5637 -16.5637 -11.5182 -11.5182 -10.7105 -10.7105 -7.7963 -7.7963 -7.7811 -7.7811 -7.7483 -7.7483 -7.2858 -7.2858 -7.2673 -7.2673 -7.2589 -7.2589 -5.3789 -5.3789 -5.3787 -5.3787 -4.8959 -4.8959 -4.8662 -4.8662 -4.8594 -4.8594 -4.6796 -4.6796 -4.6750 -4.6750 -4.6175 -4.6175 -1.3996 -1.3996 -1.3729 -1.3729 -1.3703 -1.3703 -1.2156 -1.2156 -1.2112 -1.2112 0.4637 0.4637 0.4703 0.4703 0.6355 0.6355 4.9674 4.9674 5.9301 5.9301 6.1053 6.1053 6.1138 6.1138 7.1238 7.1238 7.1249 7.1249 k = 0.1023 0.1023 0.1023 ( 7926 PWs) bands (ev): -18.8417 -18.8417 -18.4426 -18.4426 -18.3928 -18.3928 -18.3917 -18.3917 -17.2916 -17.2916 -16.6169 -16.6169 -16.5657 -16.5657 -16.5637 -16.5637 -11.5058 -11.5058 -10.7252 -10.7252 -7.7985 -7.7985 -7.7836 -7.7836 -7.7428 -7.7428 -7.2856 -7.2856 -7.2650 -7.2650 -7.2559 -7.2559 -5.3706 -5.3706 -5.3704 -5.3704 -4.9044 -4.9044 -4.8677 -4.8677 -4.8606 -4.8606 -4.6920 -4.6920 -4.6875 -4.6875 -4.6162 -4.6162 -1.3943 -1.3943 -1.3679 -1.3679 -1.3659 -1.3659 -1.1843 -1.1843 -1.1791 -1.1791 0.4216 0.4216 0.4281 0.4281 0.6348 0.6348 4.9974 4.9974 5.9285 5.9285 6.1438 6.1438 6.1521 6.1521 7.1310 7.1310 7.1326 7.1326 k = 0.1136 0.1136 0.1136 ( 7914 PWs) bands (ev): -18.8362 -18.8362 -18.4528 -18.4528 -18.3930 -18.3930 -18.3918 -18.3918 -17.2765 -17.2765 -16.6280 -16.6280 -16.5657 -16.5657 -16.5637 -16.5637 -11.4924 -11.4924 -10.7409 -10.7409 -7.8009 -7.8009 -7.7862 -7.7862 -7.7372 -7.7372 -7.2854 -7.2854 -7.2625 -7.2625 -7.2528 -7.2528 -5.3614 -5.3614 -5.3612 -5.3612 -4.9135 -4.9135 -4.8694 -4.8694 -4.8622 -4.8622 -4.7050 -4.7050 -4.7005 -4.7005 -4.6146 -4.6146 -1.3887 -1.3887 -1.3636 -1.3636 -1.3621 -1.3621 -1.1487 -1.1487 -1.1430 -1.1430 0.3761 0.3761 0.3824 0.3824 0.6340 0.6340 5.0305 5.0305 5.9273 5.9273 6.1836 6.1836 6.1918 6.1918 7.1403 7.1403 7.1423 7.1423 k = 0.1250 0.1250 0.1250 ( 7914 PWs) bands (ev): -18.8303 -18.8303 -18.4634 -18.4634 -18.3932 -18.3932 -18.3921 -18.3921 -17.2608 -17.2608 -16.6399 -16.6399 -16.5657 -16.5657 -16.5637 -16.5637 -11.4781 -11.4781 -10.7575 -10.7575 -7.8033 -7.8033 -7.7889 -7.7889 -7.7316 -7.7316 -7.2853 -7.2853 -7.2598 -7.2598 -7.2498 -7.2498 -5.3515 -5.3515 -5.3512 -5.3512 -4.9232 -4.9232 -4.8716 -4.8716 -4.8643 -4.8643 -4.7181 -4.7181 -4.7137 -4.7137 -4.6129 -4.6129 -1.3829 -1.3829 -1.3600 -1.3600 -1.3590 -1.3590 -1.1094 -1.1094 -1.1032 -1.1032 0.3276 0.3276 0.3338 0.3338 0.6331 0.6331 5.0664 5.0664 5.9266 5.9266 6.2238 6.2238 6.2316 6.2316 7.1519 7.1519 7.1544 7.1544 k = 0.1364 0.1364 0.1364 ( 7919 PWs) bands (ev): -18.8240 -18.8240 -18.4743 -18.4743 -18.3935 -18.3935 -18.3923 -18.3923 -17.2446 -17.2446 -16.6523 -16.6523 -16.5656 -16.5656 -16.5636 -16.5636 -11.4632 -11.4632 -10.7747 -10.7747 -7.8058 -7.8058 -7.7915 -7.7915 -7.7262 -7.7262 -7.2851 -7.2851 -7.2572 -7.2572 -7.2468 -7.2468 -5.3408 -5.3408 -5.3405 -5.3405 -4.9334 -4.9334 -4.8743 -4.8743 -4.8669 -4.8669 -4.7311 -4.7311 -4.7268 -4.7268 -4.6111 -4.6111 -1.3770 -1.3770 -1.3567 -1.3567 -1.3562 -1.3562 -1.0668 -1.0668 -1.0603 -1.0603 0.2765 0.2765 0.2825 0.2825 0.6322 0.6322 5.1049 5.1049 5.9266 5.9266 6.2631 6.2631 6.2706 6.2706 7.1661 7.1661 7.1692 7.1692 k = 0.1477 0.1477 0.1477 ( 7925 PWs) bands (ev): -18.8175 -18.8175 -18.4852 -18.4852 -18.3937 -18.3937 -18.3926 -18.3926 -17.2283 -17.2283 -16.6650 -16.6650 -16.5656 -16.5656 -16.5636 -16.5636 -11.4479 -11.4479 -10.7922 -10.7922 -7.8082 -7.8082 -7.7940 -7.7940 -7.7210 -7.7210 -7.2847 -7.2847 -7.2546 -7.2546 -7.2441 -7.2441 -5.3295 -5.3295 -5.3292 -5.3292 -4.9440 -4.9440 -4.8780 -4.8780 -4.8705 -4.8705 -4.7436 -4.7436 -4.7393 -4.7393 -4.6092 -4.6092 -1.3710 -1.3710 -1.3536 -1.3536 -1.3536 -1.3536 -1.0216 -1.0216 -1.0147 -1.0147 0.2233 0.2233 0.2293 0.2293 0.6312 0.6312 5.1457 5.1457 5.9277 5.9277 6.3003 6.3003 6.3075 6.3075 7.1831 7.1831 7.1869 7.1869 k = 0.1591 0.1591 0.1591 ( 7907 PWs) bands (ev): -18.8108 -18.8108 -18.4960 -18.4960 -18.3940 -18.3940 -18.3928 -18.3928 -17.2121 -17.2121 -16.6779 -16.6779 -16.5656 -16.5656 -16.5636 -16.5636 -11.4325 -11.4325 -10.8098 -10.8098 -7.8105 -7.8105 -7.7963 -7.7963 -7.7164 -7.7164 -7.2841 -7.2841 -7.2523 -7.2523 -7.2416 -7.2416 -5.3177 -5.3177 -5.3173 -5.3173 -4.9547 -4.9547 -4.8826 -4.8826 -4.8751 -4.8751 -4.7549 -4.7549 -4.7506 -4.7506 -4.6072 -4.6072 -1.3651 -1.3651 -1.3513 -1.3513 -1.3506 -1.3506 -0.9741 -0.9741 -0.9669 -0.9669 0.1688 0.1688 0.1746 0.1746 0.6302 0.6302 5.1884 5.1884 5.9302 5.9302 6.3345 6.3345 6.3413 6.3413 7.2030 7.2030 7.2074 7.2074 k = 0.1705 0.1705 0.1705 ( 7907 PWs) bands (ev): -18.8040 -18.8040 -18.5064 -18.5064 -18.3943 -18.3943 -18.3931 -18.3931 -17.1963 -17.1963 -16.6905 -16.6905 -16.5656 -16.5656 -16.5636 -16.5636 -11.4172 -11.4172 -10.8271 -10.8271 -7.8126 -7.8126 -7.7985 -7.7985 -7.7123 -7.7123 -7.2834 -7.2834 -7.2503 -7.2503 -7.2394 -7.2394 -5.3053 -5.3053 -5.3049 -5.3049 -4.9654 -4.9654 -4.8887 -4.8887 -4.8812 -4.8812 -4.7646 -4.7646 -4.7603 -4.7603 -4.6050 -4.6050 -1.3596 -1.3596 -1.3491 -1.3491 -1.3475 -1.3475 -0.9251 -0.9251 -0.9175 -0.9175 0.1133 0.1133 0.1189 0.1189 0.6291 0.6291 5.2326 5.2326 5.9345 5.9345 6.3645 6.3645 6.3708 6.3708 7.2252 7.2252 7.2304 7.2304 k = 0.1818 0.1818 0.1818 ( 7901 PWs) bands (ev): -18.7972 -18.7972 -18.5164 -18.5164 -18.3945 -18.3945 -18.3934 -18.3934 -17.1814 -17.1814 -16.7027 -16.7027 -16.5656 -16.5656 -16.5635 -16.5635 -11.4024 -11.4024 -10.8436 -10.8436 -7.8145 -7.8145 -7.8005 -7.8005 -7.7089 -7.7089 -7.2825 -7.2825 -7.2486 -7.2486 -7.2376 -7.2376 -5.2926 -5.2926 -5.2922 -5.2922 -4.9761 -4.9761 -4.8963 -4.8963 -4.8889 -4.8889 -4.7724 -4.7724 -4.7680 -4.7680 -4.6028 -4.6028 -1.3546 -1.3546 -1.3470 -1.3470 -1.3439 -1.3439 -0.8752 -0.8752 -0.8672 -0.8672 0.0578 0.0578 0.0631 0.0631 0.6280 0.6280 5.2777 5.2777 5.9411 5.9411 6.3895 6.3895 6.3953 6.3953 7.2492 7.2492 7.2550 7.2550 k = 0.1932 0.1932 0.1932 ( 7889 PWs) bands (ev): -18.7907 -18.7907 -18.5256 -18.5256 -18.3948 -18.3948 -18.3936 -18.3936 -17.1678 -17.1678 -16.7140 -16.7140 -16.5655 -16.5655 -16.5635 -16.5635 -11.3886 -11.3886 -10.8590 -10.8590 -7.8161 -7.8161 -7.8021 -7.8021 -7.7063 -7.7063 -7.2815 -7.2815 -7.2473 -7.2473 -7.2363 -7.2363 -5.2797 -5.2797 -5.2792 -5.2792 -4.9866 -4.9866 -4.9054 -4.9054 -4.8982 -4.8982 -4.7780 -4.7780 -4.7735 -4.7735 -4.6005 -4.6005 -1.3506 -1.3506 -1.3451 -1.3451 -1.3396 -1.3396 -0.8252 -0.8252 -0.8169 -0.8169 0.0031 0.0031 0.0082 0.0082 0.6269 0.6269 5.3232 5.3232 5.9505 5.9505 6.4089 6.4089 6.4143 6.4143 7.2735 7.2735 7.2799 7.2799 k = 0.2045 0.2045 0.2045 ( 7883 PWs) bands (ev): -18.7846 -18.7846 -18.5339 -18.5339 -18.3951 -18.3951 -18.3939 -18.3939 -17.1558 -17.1558 -16.7241 -16.7241 -16.5655 -16.5655 -16.5635 -16.5635 -11.3763 -11.3763 -10.8726 -10.8726 -7.8175 -7.8175 -7.8035 -7.8035 -7.7044 -7.7044 -7.2803 -7.2803 -7.2465 -7.2465 -7.2354 -7.2354 -5.2667 -5.2667 -5.2661 -5.2661 -4.9968 -4.9968 -4.9161 -4.9161 -4.9090 -4.9090 -4.7813 -4.7813 -4.7767 -4.7767 -4.5982 -4.5982 -1.3473 -1.3473 -1.3431 -1.3431 -1.3348 -1.3348 -0.7765 -0.7765 -0.7678 -0.7678 -0.0495 -0.0495 -0.0447 -0.0447 0.6257 0.6257 5.3682 5.3682 5.9634 5.9634 6.4224 6.4224 6.4274 6.4274 7.2964 7.2964 7.3033 7.3033 k = 0.2159 0.2159 0.2159 ( 7892 PWs) bands (ev): -18.7791 -18.7791 -18.5409 -18.5409 -18.3954 -18.3954 -18.3943 -18.3943 -17.1459 -17.1459 -16.7326 -16.7326 -16.5655 -16.5655 -16.5635 -16.5635 -11.3659 -11.3659 -10.8841 -10.8841 -7.8186 -7.8186 -7.8046 -7.8046 -7.7033 -7.7033 -7.2792 -7.2792 -7.2462 -7.2462 -7.2350 -7.2350 -5.2537 -5.2537 -5.2531 -5.2531 -5.0066 -5.0066 -4.9278 -4.9278 -4.9209 -4.9209 -4.7825 -4.7825 -4.7777 -4.7777 -4.5957 -4.5957 -1.3447 -1.3447 -1.3413 -1.3413 -1.3297 -1.3297 -0.7309 -0.7309 -0.7217 -0.7217 -0.0980 -0.0980 -0.0937 -0.0937 0.6245 0.6245 5.4118 5.4118 5.9807 5.9807 6.4297 6.4297 6.4345 6.4345 7.3158 7.3158 7.3230 7.3230 k = 0.2273 0.2273 0.2273 ( 7892 PWs) bands (ev): -18.7745 -18.7745 -18.5465 -18.5465 -18.3957 -18.3957 -18.3946 -18.3946 -17.1385 -17.1385 -16.7389 -16.7389 -16.5655 -16.5655 -16.5634 -16.5634 -11.3579 -11.3579 -10.8928 -10.8928 -7.8193 -7.8193 -7.8054 -7.8054 -7.7030 -7.7030 -7.2782 -7.2782 -7.2464 -7.2464 -7.2352 -7.2352 -5.2409 -5.2409 -5.2403 -5.2403 -5.0158 -5.0158 -4.9404 -4.9404 -4.9335 -4.9335 -4.7816 -4.7816 -4.7766 -4.7766 -4.5933 -4.5933 -1.3424 -1.3424 -1.3394 -1.3394 -1.3247 -1.3247 -0.6912 -0.6912 -0.6814 -0.6814 -0.1397 -0.1397 -0.1358 -0.1358 0.6233 0.6233 5.4532 5.4532 6.0030 6.0030 6.4310 6.4310 6.4356 6.4356 7.3301 7.3301 7.3372 7.3372 k = 0.2386 0.2386 0.2386 ( 7892 PWs) bands (ev): -18.7709 -18.7709 -18.5504 -18.5504 -18.3961 -18.3961 -18.3949 -18.3949 -17.1341 -17.1341 -16.7428 -16.7428 -16.5654 -16.5654 -16.5634 -16.5634 -11.3528 -11.3528 -10.8983 -10.8983 -7.8197 -7.8197 -7.8058 -7.8058 -7.7035 -7.7035 -7.2772 -7.2772 -7.2471 -7.2471 -7.2360 -7.2360 -5.2284 -5.2284 -5.2278 -5.2278 -5.0244 -5.0244 -4.9534 -4.9534 -4.9466 -4.9466 -4.7788 -4.7788 -4.7738 -4.7738 -4.5908 -4.5908 -1.3402 -1.3402 -1.3377 -1.3377 -1.3198 -1.3198 -0.6612 -0.6612 -0.6509 -0.6509 -0.1706 -0.1706 -0.1672 -0.1672 0.6220 0.6220 5.4915 5.4915 6.0312 6.0312 6.4265 6.4265 6.4309 6.4309 7.3380 7.3380 7.3449 7.3449 k = 0.2500 0.2500 0.2500 ( 7904 PWs) bands (ev): -18.7686 -18.7686 -18.5524 -18.5524 -18.3964 -18.3964 -18.3952 -18.3952 -17.1329 -17.1329 -16.7440 -16.7440 -16.5654 -16.5654 -16.5634 -16.5634 -11.3510 -11.3510 -10.9003 -10.9003 -7.8197 -7.8197 -7.8058 -7.8058 -7.7047 -7.7047 -7.2766 -7.2766 -7.2485 -7.2485 -7.2373 -7.2373 -5.2165 -5.2165 -5.2159 -5.2159 -5.0323 -5.0323 -4.9664 -4.9664 -4.9596 -4.9596 -4.7744 -4.7744 -4.7693 -4.7693 -4.5883 -4.5883 -1.3383 -1.3383 -1.3359 -1.3359 -1.3153 -1.3153 -0.6455 -0.6455 -0.6349 -0.6349 -0.1861 -0.1861 -0.1830 -0.1830 0.6208 0.6208 5.5258 5.5258 6.0659 6.0659 6.4162 6.4162 6.4207 6.4207 7.3394 7.3394 7.3458 7.3458 k = 0.2614 0.2614 0.2614 ( 7886 PWs) bands (ev): -18.7676 -18.7676 -18.5523 -18.5523 -18.3967 -18.3967 -18.3955 -18.3955 -17.1349 -17.1349 -16.7424 -16.7424 -16.5654 -16.5654 -16.5634 -16.5634 -11.3523 -11.3523 -10.8987 -10.8987 -7.8194 -7.8194 -7.8055 -7.8055 -7.7064 -7.7064 -7.2762 -7.2762 -7.2503 -7.2503 -7.2391 -7.2391 -5.2052 -5.2052 -5.2047 -5.2047 -5.0395 -5.0395 -4.9793 -4.9793 -4.9725 -4.9725 -4.7684 -4.7684 -4.7633 -4.7633 -4.5858 -4.5858 -1.3364 -1.3364 -1.3343 -1.3343 -1.3110 -1.3110 -0.6474 -0.6474 -0.6367 -0.6367 -0.1830 -0.1830 -0.1799 -0.1799 0.6196 0.6196 5.5559 5.5559 6.1072 6.1072 6.4005 6.4005 6.4050 6.4050 7.3349 7.3349 7.3408 7.3408 k = 0.2727 0.2727 0.2727 ( 7895 PWs) bands (ev): -18.7680 -18.7680 -18.5503 -18.5503 -18.3970 -18.3970 -18.3958 -18.3958 -17.1401 -17.1401 -16.7382 -16.7382 -16.5654 -16.5654 -16.5634 -16.5634 -11.3570 -11.3570 -10.8936 -10.8936 -7.8187 -7.8187 -7.8048 -7.8048 -7.7089 -7.7089 -7.2762 -7.2762 -7.2527 -7.2527 -7.2415 -7.2415 -5.1949 -5.1949 -5.1943 -5.1943 -5.0458 -5.0458 -4.9917 -4.9917 -4.9848 -4.9848 -4.7610 -4.7610 -4.7559 -4.7559 -4.5833 -4.5833 -1.3347 -1.3347 -1.3326 -1.3326 -1.3071 -1.3071 -0.6662 -0.6662 -0.6558 -0.6558 -0.1620 -0.1620 -0.1586 -0.1586 0.6183 0.6183 5.5816 5.5816 6.1551 6.1551 6.3796 6.3796 6.3842 6.3842 7.3255 7.3255 7.3308 7.3308 k = 0.2841 0.2841 0.2841 ( 7871 PWs) bands (ev): -18.7697 -18.7697 -18.5463 -18.5463 -18.3973 -18.3973 -18.3961 -18.3961 -17.1481 -17.1481 -16.7315 -16.7315 -16.5654 -16.5654 -16.5634 -16.5634 -11.3645 -11.3645 -10.8853 -10.8853 -7.8177 -7.8177 -7.8037 -7.8037 -7.7117 -7.7117 -7.2766 -7.2766 -7.2555 -7.2555 -7.2445 -7.2445 -5.1854 -5.1854 -5.1850 -5.1850 -5.0514 -5.0514 -5.0034 -5.0034 -4.9965 -4.9965 -4.7522 -4.7522 -4.7471 -4.7471 -4.5808 -4.5808 -1.3330 -1.3330 -1.3311 -1.3311 -1.3037 -1.3037 -0.6981 -0.6981 -0.6880 -0.6880 -0.1270 -0.1270 -0.1231 -0.1231 0.6172 0.6172 5.6033 5.6033 6.2090 6.2090 6.3538 6.3538 6.3586 6.3586 7.3126 7.3126 7.3174 7.3174 k = 0.2955 0.2955 0.2955 ( 7880 PWs) bands (ev): -18.7725 -18.7725 -18.5406 -18.5406 -18.3976 -18.3976 -18.3964 -18.3964 -17.1587 -17.1587 -16.7229 -16.7229 -16.5654 -16.5654 -16.5634 -16.5634 -11.3745 -11.3745 -10.8742 -10.8742 -7.8163 -7.8163 -7.8024 -7.8024 -7.7150 -7.7150 -7.2776 -7.2776 -7.2588 -7.2588 -7.2479 -7.2479 -5.1772 -5.1772 -5.1768 -5.1768 -5.0561 -5.0561 -5.0143 -5.0143 -5.0073 -5.0073 -4.7422 -4.7422 -4.7371 -4.7371 -4.5784 -4.5784 -1.3314 -1.3314 -1.3296 -1.3296 -1.3006 -1.3006 -0.7383 -0.7383 -0.7286 -0.7286 -0.0826 -0.0826 -0.0784 -0.0784 0.6160 0.6160 5.6214 5.6214 6.2682 6.2682 6.3235 6.3235 6.3284 6.3284 7.2973 7.2973 7.3015 7.3015 k = 0.3068 0.3068 0.3068 ( 7886 PWs) bands (ev): -18.7762 -18.7762 -18.5334 -18.5334 -18.3979 -18.3979 -18.3967 -18.3967 -17.1712 -17.1712 -16.7126 -16.7126 -16.5654 -16.5654 -16.5633 -16.5633 -11.3865 -11.3865 -10.8608 -10.8608 -7.8146 -7.8146 -7.8006 -7.8006 -7.7187 -7.7187 -7.2791 -7.2791 -7.2625 -7.2625 -7.2518 -7.2518 -5.1702 -5.1702 -5.1700 -5.1700 -5.0600 -5.0600 -5.0242 -5.0242 -5.0171 -5.0171 -4.7311 -4.7311 -4.7260 -4.7260 -4.5760 -4.5760 -1.3299 -1.3299 -1.3281 -1.3281 -1.2981 -1.2981 -0.7833 -0.7833 -0.7740 -0.7740 -0.0326 -0.0326 -0.0279 -0.0279 0.6148 0.6148 5.6365 5.6365 6.2884 6.2884 6.2941 6.2941 6.3324 6.3324 7.2806 7.2806 7.2844 7.2844 k = 0.3182 0.3182 0.3182 ( 7877 PWs) bands (ev): -18.7807 -18.7807 -18.5250 -18.5250 -18.3982 -18.3982 -18.3970 -18.3970 -17.1854 -17.1854 -16.7012 -16.7012 -16.5654 -16.5654 -16.5633 -16.5633 -11.3999 -11.3999 -10.8457 -10.8457 -7.8126 -7.8126 -7.7986 -7.7986 -7.7226 -7.7226 -7.2812 -7.2812 -7.2666 -7.2666 -7.2561 -7.2561 -5.1646 -5.1646 -5.1645 -5.1645 -5.0632 -5.0632 -5.0329 -5.0329 -5.0257 -5.0257 -4.7190 -4.7190 -4.7139 -4.7139 -4.5737 -4.5737 -1.3284 -1.3284 -1.3267 -1.3267 -1.2959 -1.2959 -0.8308 -0.8308 -0.8217 -0.8217 0.0207 0.0207 0.0257 0.0257 0.6137 0.6137 5.6492 5.6492 6.2503 6.2503 6.2560 6.2560 6.3998 6.3998 7.2633 7.2633 7.2667 7.2667 k = 0.3295 0.3295 0.3295 ( 7868 PWs) bands (ev): -18.7856 -18.7856 -18.5156 -18.5156 -18.3985 -18.3985 -18.3973 -18.3973 -17.2007 -17.2007 -16.6890 -16.6890 -16.5653 -16.5653 -16.5633 -16.5633 -11.4144 -11.4144 -10.8294 -10.8294 -7.8104 -7.8104 -7.7963 -7.7963 -7.7266 -7.7266 -7.2839 -7.2839 -7.2709 -7.2709 -7.2607 -7.2607 -5.1605 -5.1605 -5.1605 -5.1605 -5.0656 -5.0656 -5.0404 -5.0404 -5.0331 -5.0331 -4.7061 -4.7061 -4.7010 -4.7010 -4.5714 -4.5714 -1.3271 -1.3271 -1.3255 -1.3255 -1.2940 -1.2940 -0.8789 -0.8789 -0.8701 -0.8701 0.0755 0.0755 0.0807 0.0807 0.6126 0.6126 5.6598 5.6598 6.2089 6.2089 6.2149 6.2149 6.4702 6.4702 7.2461 7.2461 7.2490 7.2490 k = 0.3409 0.3409 0.3409 ( 7874 PWs) bands (ev): -18.7909 -18.7909 -18.5055 -18.5055 -18.3988 -18.3988 -18.3976 -18.3976 -17.2168 -17.2168 -16.6763 -16.6763 -16.5653 -16.5653 -16.5633 -16.5633 -11.4294 -11.4294 -10.8124 -10.8124 -7.8080 -7.8080 -7.7938 -7.7938 -7.7308 -7.7308 -7.2871 -7.2871 -7.2753 -7.2753 -7.2656 -7.2656 -5.1579 -5.1579 -5.1578 -5.1578 -5.0674 -5.0674 -5.0465 -5.0465 -5.0392 -5.0392 -4.6925 -4.6925 -4.6875 -4.6875 -4.5693 -4.5693 -1.3258 -1.3258 -1.3243 -1.3243 -1.2926 -1.2926 -0.9268 -0.9268 -0.9182 -0.9182 0.1306 0.1306 0.1361 0.1361 0.6115 0.6115 5.6690 5.6690 6.1650 6.1650 6.1713 6.1713 6.5428 6.5428 7.2293 7.2293 7.2318 7.2318 k = 0.3523 0.3523 0.3523 ( 7877 PWs) bands (ev): -18.7963 -18.7963 -18.4950 -18.4950 -18.3990 -18.3990 -18.3978 -18.3978 -17.2333 -17.2333 -16.6635 -16.6635 -16.5653 -16.5653 -16.5633 -16.5633 -11.4447 -11.4447 -10.7950 -10.7950 -7.8053 -7.8053 -7.7911 -7.7911 -7.7349 -7.7349 -7.2909 -7.2909 -7.2798 -7.2798 -7.2708 -7.2708 -5.1567 -5.1567 -5.1564 -5.1564 -5.0686 -5.0686 -5.0512 -5.0512 -5.0440 -5.0440 -4.6785 -4.6785 -4.6736 -4.6736 -4.5672 -4.5672 -1.3247 -1.3247 -1.3232 -1.3232 -1.2915 -1.2915 -0.9737 -0.9737 -0.9651 -0.9651 0.1851 0.1851 0.1908 0.1908 0.6105 0.6105 5.6768 5.6768 6.1194 6.1194 6.1259 6.1259 6.6171 6.6171 7.2134 7.2134 7.2155 7.2155 k = 0.3636 0.3636 0.3636 ( 7874 PWs) bands (ev): -18.8016 -18.8016 -18.4841 -18.4841 -18.3993 -18.3993 -18.3981 -18.3981 -17.2499 -17.2499 -16.6509 -16.6509 -16.5653 -16.5653 -16.5633 -16.5633 -11.4598 -11.4598 -10.7777 -10.7777 -7.8026 -7.8026 -7.7882 -7.7882 -7.7390 -7.7390 -7.2951 -7.2951 -7.2843 -7.2843 -7.2761 -7.2761 -5.1567 -5.1567 -5.1563 -5.1563 -5.0694 -5.0694 -5.0546 -5.0546 -5.0477 -5.0477 -4.6644 -4.6644 -4.6594 -4.6594 -4.5652 -4.5652 -1.3237 -1.3237 -1.3222 -1.3222 -1.2907 -1.2907 -1.0187 -1.0187 -1.0103 -1.0103 0.2383 0.2383 0.2442 0.2442 0.6095 0.6095 5.6836 5.6836 6.0728 6.0728 6.0796 6.0796 6.6923 6.6923 7.1984 7.1984 7.2002 7.2002 k = 0.3750 0.3750 0.3750 ( 7874 PWs) bands (ev): -18.8069 -18.8069 -18.4733 -18.4733 -18.3995 -18.3995 -18.3983 -18.3983 -17.2664 -17.2664 -16.6386 -16.6386 -16.5653 -16.5653 -16.5633 -16.5633 -11.4745 -11.4745 -10.7607 -10.7607 -7.7998 -7.7998 -7.7852 -7.7852 -7.7430 -7.7430 -7.2997 -7.2997 -7.2887 -7.2887 -7.2814 -7.2814 -5.1577 -5.1577 -5.1573 -5.1573 -5.0697 -5.0697 -5.0568 -5.0568 -5.0503 -5.0503 -4.6502 -4.6502 -4.6452 -4.6452 -4.5634 -4.5634 -1.3227 -1.3227 -1.3214 -1.3214 -1.2902 -1.2902 -1.0616 -1.0616 -1.0532 -1.0532 0.2896 0.2896 0.2957 0.2957 0.6086 0.6086 5.6896 5.6896 6.0262 6.0262 6.0331 6.0331 6.7679 6.7679 7.1846 7.1846 7.1861 7.1861 k = 0.3864 0.3864 0.3864 ( 7865 PWs) bands (ev): -18.8119 -18.8119 -18.4626 -18.4626 -18.3997 -18.3997 -18.3985 -18.3985 -17.2823 -17.2823 -16.6268 -16.6268 -16.5653 -16.5653 -16.5633 -16.5633 -11.4886 -11.4886 -10.7442 -10.7442 -7.7970 -7.7970 -7.7822 -7.7822 -7.7468 -7.7468 -7.3045 -7.3045 -7.2930 -7.2930 -7.2867 -7.2867 -5.1593 -5.1593 -5.1589 -5.1589 -5.0697 -5.0697 -5.0581 -5.0581 -5.0522 -5.0522 -4.6363 -4.6363 -4.6313 -4.6313 -4.5616 -4.5616 -1.3219 -1.3219 -1.3207 -1.3207 -1.2899 -1.2899 -1.1019 -1.1019 -1.0935 -1.0935 0.3385 0.3385 0.3447 0.3447 0.6078 0.6078 5.6948 5.6948 5.9802 5.9802 5.9874 5.9874 6.8433 6.8433 7.1720 7.1720 7.1732 7.1732 k = 0.3977 0.3977 0.3977 ( 7862 PWs) bands (ev): -18.8166 -18.8166 -18.4523 -18.4523 -18.3999 -18.3999 -18.3987 -18.3987 -17.2976 -17.2976 -16.6158 -16.6158 -16.5653 -16.5653 -16.5633 -16.5633 -11.5019 -11.5019 -10.7287 -10.7287 -7.7943 -7.7943 -7.7792 -7.7792 -7.7503 -7.7503 -7.3093 -7.3093 -7.2971 -7.2971 -7.2919 -7.2919 -5.1615 -5.1615 -5.1611 -5.1611 -5.0695 -5.0695 -5.0587 -5.0587 -5.0534 -5.0534 -4.6228 -4.6228 -4.6179 -4.6179 -4.5600 -4.5600 -1.3213 -1.3213 -1.3202 -1.3202 -1.2898 -1.2898 -1.1392 -1.1392 -1.1308 -1.1308 0.3844 0.3844 0.3907 0.3907 0.6071 0.6071 5.6994 5.6994 5.9359 5.9359 5.9432 5.9432 6.9178 6.9178 7.1607 7.1607 7.1617 7.1617 k = 0.4091 0.4091 0.4091 ( 7865 PWs) bands (ev): -18.8210 -18.8210 -18.4425 -18.4425 -18.4001 -18.4001 -18.3989 -18.3989 -17.3119 -17.3119 -16.6055 -16.6055 -16.5653 -16.5653 -16.5633 -16.5633 -11.5142 -11.5142 -10.7143 -10.7143 -7.7918 -7.7918 -7.7763 -7.7763 -7.7534 -7.7534 -7.3141 -7.3141 -7.3011 -7.3011 -7.2969 -7.2969 -5.1638 -5.1638 -5.1635 -5.1635 -5.0691 -5.0691 -5.0587 -5.0587 -5.0542 -5.0542 -4.6101 -4.6101 -4.6052 -4.6052 -4.5586 -4.5586 -1.3209 -1.3209 -1.3199 -1.3199 -1.2899 -1.2899 -1.1733 -1.1733 -1.1648 -1.1648 0.4269 0.4269 0.4333 0.4333 0.6064 0.6064 5.7034 5.7034 5.8938 5.8938 5.9012 5.9012 6.9907 6.9907 7.1507 7.1507 7.1515 7.1515 k = 0.4205 0.4205 0.4205 ( 7871 PWs) bands (ev): -18.8249 -18.8249 -18.4333 -18.4333 -18.4002 -18.4002 -18.3991 -18.3991 -17.3251 -17.3251 -16.5963 -16.5963 -16.5653 -16.5653 -16.5633 -16.5633 -11.5254 -11.5254 -10.7011 -10.7011 -7.7895 -7.7895 -7.7735 -7.7735 -7.7562 -7.7562 -7.3186 -7.3186 -7.3049 -7.3049 -7.3015 -7.3015 -5.1663 -5.1663 -5.1660 -5.1660 -5.0687 -5.0687 -5.0584 -5.0584 -5.0546 -5.0546 -4.5984 -4.5984 -4.5934 -4.5934 -4.5572 -4.5572 -1.3207 -1.3207 -1.3199 -1.3199 -1.2902 -1.2902 -1.2037 -1.2037 -1.1952 -1.1952 0.4656 0.4656 0.4721 0.4721 0.6058 0.6058 5.7068 5.7068 5.8549 5.8549 5.8623 5.8623 7.0612 7.0612 7.1420 7.1420 7.1425 7.1425 k = 0.4318 0.4318 0.4318 ( 7877 PWs) bands (ev): -18.8284 -18.8284 -18.4251 -18.4251 -18.4003 -18.4003 -18.3992 -18.3992 -17.3370 -17.3370 -16.5881 -16.5881 -16.5653 -16.5653 -16.5633 -16.5633 -11.5353 -11.5353 -10.6893 -10.6893 -7.7875 -7.7875 -7.7709 -7.7709 -7.7584 -7.7584 -7.3228 -7.3228 -7.3083 -7.3083 -7.3058 -7.3058 -5.1686 -5.1686 -5.1684 -5.1684 -5.0682 -5.0682 -5.0579 -5.0579 -5.0549 -5.0549 -4.5878 -4.5878 -4.5827 -4.5827 -4.5560 -4.5560 -1.3208 -1.3208 -1.3204 -1.3204 -1.2906 -1.2906 -1.2302 -1.2302 -1.2216 -1.2216 0.4999 0.4999 0.5065 0.5065 0.6053 0.6053 5.7098 5.7098 5.8196 5.8196 5.8271 5.8271 7.1281 7.1281 7.1345 7.1345 7.1349 7.1349 k = 0.4432 0.4432 0.4432 ( 7874 PWs) bands (ev): -18.8314 -18.8314 -18.4178 -18.4178 -18.4005 -18.4005 -18.3993 -18.3993 -17.3474 -17.3474 -16.5810 -16.5810 -16.5652 -16.5652 -16.5633 -16.5633 -11.5438 -11.5438 -10.6792 -10.6792 -7.7860 -7.7860 -7.7686 -7.7686 -7.7602 -7.7602 -7.3265 -7.3265 -7.3113 -7.3113 -7.3095 -7.3095 -5.1707 -5.1707 -5.1706 -5.1706 -5.0677 -5.0677 -5.0572 -5.0572 -5.0550 -5.0550 -4.5785 -4.5785 -4.5733 -4.5733 -4.5549 -4.5549 -1.3214 -1.3214 -1.3213 -1.3213 -1.2912 -1.2912 -1.2522 -1.2522 -1.2437 -1.2437 0.5296 0.5296 0.5364 0.5364 0.6049 0.6049 5.7122 5.7122 5.7888 5.7888 5.7962 5.7962 7.1282 7.1282 7.1285 7.1285 7.1902 7.1902 k = 0.4545 0.4545 0.4545 ( 7871 PWs) bands (ev): -18.8339 -18.8339 -18.4116 -18.4116 -18.4005 -18.4005 -18.3994 -18.3994 -17.3561 -17.3561 -16.5752 -16.5752 -16.5651 -16.5651 -16.5633 -16.5633 -11.5509 -11.5509 -10.6707 -10.6707 -7.7848 -7.7848 -7.7666 -7.7666 -7.7614 -7.7614 -7.3297 -7.3297 -7.3139 -7.3139 -7.3128 -7.3128 -5.1726 -5.1726 -5.1725 -5.1725 -5.0673 -5.0673 -5.0565 -5.0565 -5.0551 -5.0551 -4.5708 -4.5708 -4.5654 -4.5654 -4.5539 -4.5539 -1.3230 -1.3230 -1.3227 -1.3227 -1.2921 -1.2921 -1.2693 -1.2693 -1.2611 -1.2611 0.5544 0.5544 0.5613 0.5613 0.6046 0.6046 5.7140 5.7140 5.7630 5.7630 5.7702 5.7702 7.1231 7.1231 7.1233 7.1233 7.2457 7.2457 k = 0.4659 0.4659 0.4659 ( 7868 PWs) bands (ev): -18.8359 -18.8359 -18.4068 -18.4068 -18.4006 -18.4006 -18.3995 -18.3995 -17.3631 -17.3631 -16.5707 -16.5707 -16.5650 -16.5650 -16.5633 -16.5633 -11.5565 -11.5565 -10.6639 -10.6639 -7.7841 -7.7841 -7.7650 -7.7650 -7.7622 -7.7622 -7.3323 -7.3323 -7.3160 -7.3160 -7.3153 -7.3153 -5.1740 -5.1740 -5.1740 -5.1740 -5.0670 -5.0670 -5.0559 -5.0559 -5.0550 -5.0550 -4.5648 -4.5648 -4.5591 -4.5591 -4.5529 -4.5529 -1.3253 -1.3253 -1.3248 -1.3248 -1.2941 -1.2941 -1.2804 -1.2804 -1.2738 -1.2738 0.5737 0.5737 0.5810 0.5810 0.6046 0.6046 5.7150 5.7150 5.7428 5.7428 5.7495 5.7495 7.1192 7.1192 7.1193 7.1193 7.2925 7.2925 k = 0.4773 0.4773 0.4773 ( 7862 PWs) bands (ev): -18.8373 -18.8373 -18.4033 -18.4033 -18.4005 -18.4005 -18.3995 -18.3995 -17.3681 -17.3681 -16.5678 -16.5678 -16.5645 -16.5645 -16.5633 -16.5633 -11.5605 -11.5605 -10.6591 -10.6591 -7.7837 -7.7837 -7.7638 -7.7638 -7.7626 -7.7626 -7.3341 -7.3341 -7.3175 -7.3175 -7.3172 -7.3172 -5.1751 -5.1751 -5.1751 -5.1751 -5.0668 -5.0668 -5.0555 -5.0555 -5.0550 -5.0550 -4.5607 -4.5607 -4.5545 -4.5545 -4.5520 -4.5520 -1.3279 -1.3279 -1.3275 -1.3275 -1.2972 -1.2972 -1.2856 -1.2856 -1.2820 -1.2820 0.5873 0.5873 0.5953 0.5953 0.6050 0.6050 5.7147 5.7147 5.7292 5.7292 5.7345 5.7345 7.1164 7.1164 7.1164 7.1164 7.3284 7.3284 k = 0.4886 0.4886 0.4886 ( 7832 PWs) bands (ev): -18.8382 -18.8382 -18.4016 -18.4016 -18.4000 -18.4000 -18.3995 -18.3995 -17.3712 -17.3712 -16.5666 -16.5666 -16.5637 -16.5637 -16.5633 -16.5633 -11.5629 -11.5629 -10.6561 -10.6561 -7.7835 -7.7835 -7.7631 -7.7631 -7.7628 -7.7628 -7.3353 -7.3353 -7.3184 -7.3184 -7.3183 -7.3183 -5.1757 -5.1757 -5.1757 -5.1757 -5.0666 -5.0666 -5.0552 -5.0552 -5.0550 -5.0550 -4.5584 -4.5584 -4.5517 -4.5517 -4.5511 -4.5511 -1.3300 -1.3300 -1.3299 -1.3299 -1.2996 -1.2996 -1.2873 -1.2873 -1.2863 -1.2863 0.5949 0.5949 0.6040 0.6040 0.6061 0.6061 5.7121 5.7121 5.7233 5.7233 5.7253 5.7253 7.1147 7.1147 7.1148 7.1148 7.3512 7.3512 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -18.8384 -18.8384 -18.4013 -18.4013 -18.3995 -18.3995 -18.3995 -18.3995 -17.3722 -17.3722 -16.5663 -16.5663 -16.5633 -16.5633 -16.5633 -16.5633 -11.5637 -11.5637 -10.6551 -10.6551 -7.7834 -7.7834 -7.7628 -7.7628 -7.7628 -7.7628 -7.3356 -7.3356 -7.3187 -7.3187 -7.3187 -7.3187 -5.1759 -5.1759 -5.1759 -5.1759 -5.0665 -5.0665 -5.0550 -5.0550 -5.0550 -5.0550 -4.5577 -4.5577 -4.5507 -4.5507 -4.5507 -4.5507 -1.3308 -1.3308 -1.3308 -1.3308 -1.3005 -1.3005 -1.2877 -1.2877 -1.2877 -1.2877 0.5970 0.5970 0.6069 0.6069 0.6069 0.6069 5.7103 5.7103 5.7223 5.7223 5.7223 5.7223 7.1142 7.1142 7.1142 7.1142 7.3585 7.3592 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -18.8384 -18.8384 -18.4013 -18.4013 -18.3995 -18.3995 -18.3995 -18.3995 -17.3722 -17.3722 -16.5663 -16.5663 -16.5633 -16.5633 -16.5633 -16.5633 -11.5637 -11.5637 -10.6551 -10.6551 -7.7834 -7.7834 -7.7628 -7.7628 -7.7628 -7.7628 -7.3356 -7.3356 -7.3187 -7.3187 -7.3187 -7.3187 -5.1759 -5.1759 -5.1759 -5.1759 -5.0665 -5.0665 -5.0550 -5.0550 -5.0550 -5.0550 -4.5577 -4.5577 -4.5507 -4.5507 -4.5507 -4.5507 -1.3308 -1.3308 -1.3308 -1.3308 -1.3005 -1.3005 -1.2877 -1.2877 -1.2877 -1.2877 0.5970 0.5970 0.6069 0.6069 0.6069 0.6069 5.7103 5.7103 5.7223 5.7223 5.7223 5.7223 7.1142 7.1142 7.1142 7.1142 7.3584 7.3587 k = 0.4861 0.5000 0.4861 ( 7820 PWs) bands (ev): -18.8382 -18.8382 -18.4016 -18.4016 -18.4000 -18.4000 -18.3995 -18.3995 -17.3712 -17.3712 -16.5666 -16.5666 -16.5637 -16.5637 -16.5633 -16.5633 -11.5629 -11.5629 -10.6561 -10.6561 -7.7835 -7.7835 -7.7631 -7.7631 -7.7627 -7.7627 -7.3353 -7.3353 -7.3185 -7.3185 -7.3182 -7.3182 -5.1758 -5.1758 -5.1756 -5.1756 -5.0666 -5.0666 -5.0551 -5.0551 -5.0550 -5.0550 -4.5584 -4.5584 -4.5516 -4.5516 -4.5511 -4.5511 -1.3303 -1.3303 -1.3295 -1.3295 -1.2996 -1.2996 -1.2873 -1.2873 -1.2863 -1.2863 0.5949 0.5949 0.6042 0.6042 0.6059 0.6059 5.7121 5.7121 5.7234 5.7234 5.7252 5.7252 7.1136 7.1136 7.1159 7.1159 7.3525 7.3526 k = 0.4722 0.5000 0.4722 ( 7864 PWs) bands (ev): -18.8373 -18.8373 -18.4033 -18.4033 -18.4005 -18.4005 -18.3995 -18.3995 -17.3681 -17.3681 -16.5678 -16.5678 -16.5645 -16.5645 -16.5633 -16.5633 -11.5605 -11.5605 -10.6591 -10.6591 -7.7837 -7.7837 -7.7641 -7.7641 -7.7622 -7.7622 -7.3342 -7.3342 -7.3179 -7.3179 -7.3167 -7.3167 -5.1755 -5.1755 -5.1747 -5.1747 -5.0668 -5.0668 -5.0555 -5.0555 -5.0550 -5.0550 -4.5607 -4.5607 -4.5541 -4.5541 -4.5523 -4.5523 -1.3290 -1.3290 -1.3262 -1.3262 -1.2973 -1.2973 -1.2856 -1.2856 -1.2821 -1.2821 0.5872 0.5872 0.5973 0.5973 0.6033 0.6033 5.7156 5.7156 5.7282 5.7282 5.7344 5.7344 7.1119 7.1119 7.1209 7.1209 7.3340 7.3340 k = 0.4583 0.5000 0.4583 ( 7888 PWs) bands (ev): -18.8359 -18.8359 -18.4067 -18.4067 -18.4006 -18.4006 -18.3995 -18.3995 -17.3631 -17.3631 -16.5707 -16.5707 -16.5650 -16.5650 -16.5633 -16.5633 -11.5565 -11.5565 -10.6639 -10.6639 -7.7843 -7.7843 -7.7656 -7.7656 -7.7614 -7.7614 -7.3325 -7.3325 -7.3170 -7.3170 -7.3142 -7.3142 -5.1750 -5.1750 -5.1730 -5.1730 -5.0671 -5.0671 -5.0561 -5.0561 -5.0549 -5.0549 -4.5650 -4.5650 -4.5577 -4.5577 -4.5541 -4.5541 -1.3268 -1.3268 -1.3224 -1.3224 -1.2946 -1.2946 -1.2811 -1.2811 -1.2739 -1.2739 0.5718 0.5718 0.5876 0.5876 0.6001 0.6001 5.7179 5.7179 5.7388 5.7388 5.7504 5.7504 7.1092 7.1092 7.1292 7.1292 7.3050 7.3050 k = 0.4444 0.5000 0.4444 ( 7890 PWs) bands (ev): -18.8340 -18.8340 -18.4115 -18.4115 -18.4006 -18.4006 -18.3994 -18.3994 -17.3562 -17.3562 -16.5752 -16.5752 -16.5651 -16.5651 -16.5633 -16.5633 -11.5509 -11.5509 -10.6706 -10.6706 -7.7854 -7.7854 -7.7675 -7.7675 -7.7599 -7.7599 -7.3304 -7.3304 -7.3156 -7.3156 -7.3105 -7.3105 -5.1742 -5.1742 -5.1708 -5.1708 -5.0675 -5.0675 -5.0568 -5.0568 -5.0547 -5.0547 -4.5717 -4.5717 -4.5620 -4.5620 -4.5564 -4.5564 -1.3236 -1.3236 -1.3194 -1.3194 -1.2928 -1.2928 -1.2728 -1.2728 -1.2599 -1.2599 0.5492 0.5492 0.5752 0.5752 0.5962 0.5962 5.7196 5.7196 5.7541 5.7541 5.7734 5.7734 7.1054 7.1054 7.1405 7.1405 7.2682 7.2682 k = 0.4306 0.5000 0.4306 ( 7878 PWs) bands (ev): -18.8314 -18.8314 -18.4176 -18.4176 -18.4006 -18.4006 -18.3993 -18.3993 -17.3474 -17.3474 -16.5810 -16.5810 -16.5652 -16.5652 -16.5633 -16.5633 -11.5438 -11.5438 -10.6791 -10.6791 -7.7873 -7.7873 -7.7696 -7.7696 -7.7576 -7.7576 -7.3279 -7.3279 -7.3140 -7.3140 -7.3057 -7.3057 -5.1732 -5.1732 -5.1680 -5.1680 -5.0681 -5.0681 -5.0576 -5.0576 -5.0544 -5.0544 -4.5806 -4.5806 -4.5670 -4.5670 -4.5591 -4.5591 -1.3197 -1.3197 -1.3173 -1.3173 -1.2920 -1.2920 -1.2618 -1.2618 -1.2394 -1.2394 0.5201 0.5201 0.5597 0.5597 0.5914 0.5914 5.7211 5.7211 5.7731 5.7731 5.8031 5.8031 7.1007 7.1007 7.1534 7.1534 7.2275 7.2275 k = 0.4167 0.5000 0.4167 ( 7878 PWs) bands (ev): -18.8284 -18.8284 -18.4249 -18.4249 -18.4005 -18.4005 -18.3992 -18.3992 -17.3370 -17.3370 -16.5881 -16.5881 -16.5652 -16.5652 -16.5633 -16.5633 -11.5353 -11.5353 -10.6894 -10.6894 -7.7900 -7.7900 -7.7719 -7.7719 -7.7546 -7.7546 -7.3255 -7.3255 -7.3120 -7.3120 -7.2998 -7.2998 -5.1720 -5.1720 -5.1648 -5.1648 -5.0690 -5.0690 -5.0585 -5.0585 -5.0537 -5.0537 -4.5913 -4.5913 -4.5730 -4.5730 -4.5622 -4.5622 -1.3169 -1.3169 -1.3141 -1.3141 -1.2915 -1.2915 -1.2484 -1.2484 -1.2130 -1.2130 0.4852 0.4852 0.5411 0.5411 0.5858 0.5858 5.7229 5.7229 5.7951 5.7951 5.8392 5.8392 7.0950 7.0950 7.1545 7.1545 7.1983 7.1983 k = 0.4028 0.5000 0.4028 ( 7892 PWs) bands (ev): -18.8249 -18.8249 -18.4332 -18.4332 -18.4005 -18.4005 -18.3991 -18.3991 -17.3250 -17.3250 -16.5964 -16.5964 -16.5652 -16.5652 -16.5633 -16.5633 -11.5253 -11.5253 -10.7012 -10.7012 -7.7936 -7.7936 -7.7743 -7.7743 -7.7507 -7.7507 -7.3231 -7.3231 -7.3096 -7.3096 -7.2929 -7.2929 -5.1706 -5.1706 -5.1612 -5.1612 -5.0703 -5.0703 -5.0594 -5.0594 -5.0526 -5.0526 -4.6035 -4.6035 -4.5799 -4.5799 -4.5658 -4.5658 -1.3163 -1.3163 -1.3084 -1.3084 -1.2912 -1.2912 -1.2328 -1.2328 -1.1814 -1.1814 0.4449 0.4449 0.5195 0.5195 0.5792 0.5792 5.7249 5.7249 5.8194 5.8194 5.8815 5.8815 7.0885 7.0885 7.1167 7.1167 7.2093 7.2093 k = 0.3889 0.5000 0.3889 ( 7888 PWs) bands (ev): -18.8209 -18.8209 -18.4424 -18.4424 -18.4005 -18.4005 -18.3989 -18.3989 -17.3116 -17.3116 -16.6058 -16.6058 -16.5652 -16.5652 -16.5633 -16.5633 -11.5140 -11.5140 -10.7146 -10.7146 -7.7979 -7.7979 -7.7767 -7.7767 -7.7459 -7.7459 -7.3210 -7.3210 -7.3068 -7.3068 -7.2851 -7.2851 -5.1689 -5.1689 -5.1574 -5.1574 -5.0721 -5.0721 -5.0601 -5.0601 -5.0508 -5.0508 -4.6170 -4.6170 -4.5877 -4.5877 -4.5698 -4.5698 -1.3161 -1.3161 -1.3017 -1.3017 -1.2909 -1.2909 -1.2150 -1.2150 -1.1453 -1.1453 0.3997 0.3997 0.4952 0.4952 0.5716 0.5716 5.7274 5.7274 5.8453 5.8453 5.9297 5.9297 7.0676 7.0676 7.0810 7.0810 7.2346 7.2346 k = 0.3750 0.5000 0.3750 ( 7888 PWs) bands (ev): -18.8164 -18.8164 -18.4523 -18.4523 -18.4004 -18.4004 -18.3986 -18.3986 -17.2970 -17.2970 -16.6163 -16.6163 -16.5652 -16.5652 -16.5633 -16.5633 -11.5014 -11.5014 -10.7293 -10.7293 -7.8028 -7.8028 -7.7792 -7.7792 -7.7404 -7.7404 -7.3195 -7.3195 -7.3035 -7.3035 -7.2767 -7.2767 -5.1671 -5.1671 -5.1536 -5.1536 -5.0744 -5.0744 -5.0608 -5.0608 -5.0482 -5.0482 -4.6314 -4.6314 -4.5964 -4.5964 -4.5743 -4.5743 -1.3162 -1.3162 -1.2943 -1.2943 -1.2904 -1.2904 -1.1951 -1.1951 -1.1051 -1.1051 0.3501 0.3501 0.4683 0.4683 0.5629 0.5629 5.7303 5.7303 5.8720 5.8720 5.9834 5.9834 7.0169 7.0169 7.0727 7.0727 7.2085 7.2085 k = 0.3611 0.5000 0.3611 ( 7882 PWs) bands (ev): -18.8114 -18.8114 -18.4630 -18.4630 -18.4004 -18.4004 -18.3983 -18.3983 -17.2813 -17.2813 -16.6277 -16.6277 -16.5652 -16.5652 -16.5633 -16.5633 -11.4877 -11.4877 -10.7454 -10.7454 -7.8081 -7.8081 -7.7817 -7.7817 -7.7340 -7.7340 -7.3185 -7.3185 -7.2997 -7.2997 -7.2677 -7.2677 -5.1650 -5.1650 -5.1499 -5.1499 -5.0772 -5.0772 -5.0615 -5.0615 -5.0443 -5.0443 -4.6465 -4.6465 -4.6059 -4.6059 -4.5791 -4.5791 -1.3164 -1.3164 -1.2910 -1.2910 -1.2850 -1.2850 -1.1731 -1.1731 -1.0613 -1.0613 0.2966 0.2966 0.4392 0.4392 0.5533 0.5533 5.7337 5.7337 5.8988 5.8988 6.0425 6.0425 6.9665 6.9665 7.0634 7.0634 7.1701 7.1701 k = 0.3472 0.5000 0.3472 ( 7886 PWs) bands (ev): -18.8061 -18.8061 -18.4741 -18.4741 -18.4003 -18.4003 -18.3980 -18.3980 -17.2646 -17.2646 -16.6401 -16.6401 -16.5652 -16.5652 -16.5633 -16.5633 -11.4729 -11.4729 -10.7625 -10.7625 -7.8135 -7.8135 -7.7844 -7.7844 -7.7270 -7.7270 -7.3183 -7.3183 -7.2955 -7.2955 -7.2585 -7.2585 -5.1627 -5.1627 -5.1466 -5.1466 -5.0804 -5.0804 -5.0621 -5.0621 -5.0392 -5.0392 -4.6620 -4.6620 -4.6161 -4.6161 -4.5843 -4.5843 -1.3167 -1.3167 -1.2907 -1.2907 -1.2757 -1.2757 -1.1492 -1.1492 -1.0143 -1.0143 0.2398 0.2398 0.4080 0.4080 0.5425 0.5425 5.7376 5.7376 5.9248 5.9248 6.1066 6.1066 6.9173 6.9173 7.0534 7.0534 7.1278 7.1278 k = 0.3333 0.5000 0.3333 ( 7876 PWs) bands (ev): -18.8004 -18.8004 -18.4857 -18.4857 -18.4002 -18.4002 -18.3977 -18.3977 -17.2471 -17.2471 -16.6532 -16.6532 -16.5652 -16.5652 -16.5633 -16.5633 -11.4572 -11.4572 -10.7806 -10.7806 -7.8191 -7.8191 -7.7872 -7.7872 -7.7192 -7.7192 -7.3189 -7.3189 -7.2908 -7.2908 -7.2491 -7.2491 -5.1602 -5.1602 -5.1437 -5.1437 -5.0840 -5.0840 -5.0627 -5.0627 -5.0325 -5.0325 -4.6777 -4.6777 -4.6270 -4.6270 -4.5899 -4.5899 -1.3172 -1.3172 -1.2906 -1.2906 -1.2654 -1.2654 -1.1234 -1.1234 -0.9644 -0.9644 0.1802 0.1802 0.3751 0.3751 0.5307 0.5307 5.7422 5.7422 5.9495 5.9495 6.1754 6.1754 6.8701 6.8701 7.0424 7.0424 7.0824 7.0824 k = 0.3194 0.5000 0.3194 ( 7882 PWs) bands (ev): -18.7943 -18.7943 -18.4975 -18.4975 -18.4001 -18.4001 -18.3974 -18.3974 -17.2291 -17.2291 -16.6670 -16.6670 -16.5652 -16.5652 -16.5633 -16.5633 -11.4407 -11.4407 -10.7996 -10.7996 -7.8246 -7.8246 -7.7901 -7.7901 -7.7108 -7.7108 -7.3203 -7.3203 -7.2857 -7.2857 -7.2397 -7.2397 -5.1575 -5.1575 -5.1415 -5.1415 -5.0880 -5.0880 -5.0633 -5.0633 -5.0242 -5.0242 -4.6934 -4.6934 -4.6385 -4.6385 -4.5958 -4.5958 -1.3177 -1.3177 -1.2906 -1.2906 -1.2543 -1.2543 -1.0958 -1.0958 -0.9122 -0.9122 0.1182 0.1182 0.3405 0.3405 0.5178 0.5178 5.7473 5.7473 5.9722 5.9722 6.2485 6.2485 6.8253 6.8253 7.0305 7.0305 7.0343 7.0343 k = 0.3056 0.5000 0.3056 ( 7894 PWs) bands (ev): -18.7880 -18.7880 -18.5095 -18.5095 -18.3999 -18.3999 -18.3970 -18.3970 -17.2105 -17.2105 -16.6815 -16.6815 -16.5652 -16.5652 -16.5633 -16.5633 -11.4234 -11.4234 -10.8192 -10.8192 -7.8299 -7.8299 -7.7931 -7.7931 -7.7017 -7.7017 -7.3227 -7.3227 -7.2804 -7.2804 -7.2305 -7.2305 -5.1546 -5.1546 -5.1399 -5.1399 -5.0922 -5.0922 -5.0640 -5.0640 -5.0142 -5.0142 -4.7089 -4.7089 -4.6504 -4.6504 -4.6020 -4.6020 -1.3183 -1.3183 -1.2908 -1.2908 -1.2424 -1.2424 -1.0666 -1.0666 -0.8579 -0.8579 0.0544 0.0544 0.3045 0.3045 0.5038 0.5038 5.7532 5.7532 5.9923 5.9923 6.3258 6.3258 6.7833 6.7833 6.9843 6.9843 7.0180 7.0180 k = 0.2917 0.5000 0.2917 ( 7898 PWs) bands (ev): -18.7814 -18.7814 -18.5216 -18.5216 -18.3998 -18.3998 -18.3967 -18.3967 -17.1917 -17.1917 -16.6964 -16.6964 -16.5652 -16.5652 -16.5633 -16.5633 -11.4056 -11.4056 -10.8393 -10.8393 -7.8350 -7.8350 -7.7962 -7.7962 -7.6921 -7.6921 -7.3260 -7.3260 -7.2748 -7.2748 -7.2216 -7.2216 -5.1515 -5.1515 -5.1390 -5.1390 -5.0967 -5.0967 -5.0646 -5.0646 -5.0027 -5.0027 -4.7240 -4.7240 -4.6629 -4.6629 -4.6084 -4.6084 -1.3189 -1.3189 -1.2910 -1.2910 -1.2296 -1.2296 -1.0357 -1.0357 -0.8020 -0.8020 -0.0106 -0.0106 0.2674 0.2674 0.4888 0.4888 5.7598 5.7598 6.0093 6.0093 6.4068 6.4068 6.7446 6.7446 6.9331 6.9331 7.0046 7.0046 k = 0.2778 0.5000 0.2778 ( 7890 PWs) bands (ev): -18.7746 -18.7746 -18.5336 -18.5336 -18.3996 -18.3996 -18.3963 -18.3963 -17.1727 -17.1727 -16.7118 -16.7118 -16.5652 -16.5652 -16.5633 -16.5633 -11.3873 -11.3873 -10.8598 -10.8598 -7.8397 -7.8397 -7.7993 -7.7993 -7.6819 -7.6819 -7.3302 -7.3302 -7.2690 -7.2690 -7.2132 -7.2132 -5.1481 -5.1481 -5.1386 -5.1386 -5.1013 -5.1013 -5.0653 -5.0653 -4.9896 -4.9896 -4.7385 -4.7385 -4.6756 -4.6756 -4.6150 -4.6150 -1.3195 -1.3195 -1.2913 -1.2913 -1.2160 -1.2160 -1.0035 -1.0035 -0.7449 -0.7449 -0.0764 -0.0764 0.2295 0.2295 0.4726 0.4726 5.7671 5.7671 6.0230 6.0230 6.4913 6.4913 6.7095 6.7095 6.8813 6.8813 6.9905 6.9905 k = 0.2639 0.5000 0.2639 ( 7896 PWs) bands (ev): -18.7676 -18.7676 -18.5455 -18.5455 -18.3993 -18.3993 -18.3959 -18.3959 -17.1536 -17.1536 -16.7274 -16.7274 -16.5652 -16.5652 -16.5634 -16.5634 -11.3687 -11.3687 -10.8805 -10.8805 -7.8441 -7.8441 -7.8024 -7.8024 -7.6712 -7.6712 -7.3354 -7.3354 -7.2630 -7.2630 -7.2054 -7.2054 -5.1447 -5.1447 -5.1386 -5.1386 -5.1060 -5.1060 -5.0660 -5.0660 -4.9753 -4.9753 -4.7524 -4.7524 -4.6887 -4.6887 -4.6218 -4.6218 -1.3202 -1.3202 -1.2917 -1.2917 -1.2017 -1.2017 -0.9699 -0.9699 -0.6870 -0.6870 -0.1425 -0.1425 0.1909 0.1909 0.4554 0.4554 5.7752 5.7752 6.0331 6.0331 6.5789 6.5789 6.6781 6.6781 6.8296 6.8296 6.9757 6.9757 k = 0.2500 0.5000 0.2500 ( 7912 PWs) bands (ev): -18.7605 -18.7605 -18.5573 -18.5573 -18.3990 -18.3990 -18.3955 -18.3955 -17.1347 -17.1347 -16.7432 -16.7432 -16.5652 -16.5652 -16.5634 -16.5634 -11.3499 -11.3499 -10.9012 -10.9012 -7.8479 -7.8479 -7.8056 -7.8056 -7.6601 -7.6601 -7.3417 -7.3417 -7.2570 -7.2570 -7.1983 -7.1983 -5.1412 -5.1412 -5.1388 -5.1388 -5.1108 -5.1108 -5.0666 -5.0666 -4.9597 -4.9597 -4.7656 -4.7656 -4.7020 -4.7020 -4.6287 -4.6287 -1.3209 -1.3209 -1.2923 -1.2923 -1.1866 -1.1866 -0.9351 -0.9351 -0.6287 -0.6287 -0.2085 -0.2085 0.1518 0.1518 0.4370 0.4370 5.7841 5.7841 6.0395 6.0395 6.6504 6.6504 6.6695 6.6695 6.7787 6.7787 6.9604 6.9604 k = 0.2361 0.5000 0.2361 ( 7904 PWs) bands (ev): -18.7534 -18.7534 -18.5687 -18.5687 -18.3987 -18.3987 -18.3951 -18.3951 -17.1160 -17.1160 -16.7591 -16.7591 -16.5652 -16.5652 -16.5634 -16.5634 -11.3310 -11.3310 -10.9217 -10.9217 -7.8512 -7.8512 -7.8087 -7.8087 -7.6486 -7.6486 -7.3488 -7.3488 -7.2509 -7.2509 -7.1920 -7.1920 -5.1402 -5.1402 -5.1367 -5.1367 -5.1154 -5.1154 -5.0673 -5.0673 -4.9431 -4.9431 -4.7779 -4.7779 -4.7153 -4.7153 -4.6356 -4.6356 -1.3216 -1.3216 -1.2930 -1.2930 -1.1708 -1.1708 -0.8992 -0.8992 -0.5703 -0.5703 -0.2738 -0.2738 0.1125 0.1125 0.4175 0.4175 5.7938 5.7938 6.0423 6.0423 6.6269 6.6269 6.7288 6.7288 6.7626 6.7626 6.9446 6.9446 k = 0.2222 0.5000 0.2222 ( 7892 PWs) bands (ev): -18.7463 -18.7463 -18.5798 -18.5798 -18.3983 -18.3983 -18.3947 -18.3947 -17.0976 -17.0976 -16.7749 -16.7749 -16.5652 -16.5652 -16.5635 -16.5635 -11.3123 -11.3123 -10.9420 -10.9420 -7.8540 -7.8540 -7.8118 -7.8118 -7.6367 -7.6367 -7.3569 -7.3569 -7.2448 -7.2448 -7.1865 -7.1865 -5.1410 -5.1410 -5.1329 -5.1329 -5.1200 -5.1200 -5.0679 -5.0679 -4.9257 -4.9257 -4.7895 -4.7895 -4.7288 -4.7288 -4.6426 -4.6426 -1.3223 -1.3223 -1.2939 -1.2939 -1.1544 -1.1544 -0.8625 -0.8625 -0.5123 -0.5123 -0.3380 -0.3380 0.0732 0.0732 0.3970 0.3970 5.8042 5.8042 6.0416 6.0416 6.6070 6.6070 6.6811 6.6811 6.8578 6.8578 6.9284 6.9284 k = 0.2083 0.5000 0.2083 ( 7900 PWs) bands (ev): -18.7392 -18.7392 -18.5906 -18.5906 -18.3979 -18.3979 -18.3943 -18.3943 -17.0797 -17.0797 -16.7905 -16.7905 -16.5652 -16.5652 -16.5635 -16.5635 -11.2938 -11.2938 -10.9619 -10.9619 -7.8561 -7.8561 -7.8149 -7.8149 -7.6247 -7.6247 -7.3657 -7.3657 -7.2388 -7.2388 -7.1819 -7.1819 -5.1421 -5.1421 -5.1291 -5.1291 -5.1240 -5.1240 -5.0685 -5.0685 -4.9076 -4.9076 -4.8003 -4.8003 -4.7422 -4.7422 -4.6495 -4.6495 -1.3230 -1.3230 -1.2950 -1.2950 -1.1374 -1.1374 -0.8249 -0.8249 -0.4552 -0.4552 -0.4007 -0.4007 0.0339 0.0339 0.3755 0.3755 5.8153 5.8153 6.0380 6.0380 6.5907 6.5907 6.6357 6.6357 6.9119 6.9119 6.9550 6.9550 k = 0.1944 0.5000 0.1944 ( 7900 PWs) bands (ev): -18.7322 -18.7322 -18.6008 -18.6008 -18.3974 -18.3974 -18.3940 -18.3940 -17.0624 -17.0624 -16.8059 -16.8059 -16.5652 -16.5652 -16.5636 -16.5636 -11.2757 -11.2757 -10.9812 -10.9812 -7.8576 -7.8576 -7.8179 -7.8179 -7.6124 -7.6124 -7.3753 -7.3753 -7.2329 -7.2329 -7.1782 -7.1782 -5.1433 -5.1433 -5.1294 -5.1294 -5.1236 -5.1236 -5.0691 -5.0691 -4.8892 -4.8892 -4.8103 -4.8103 -4.7554 -4.7554 -4.6563 -4.6563 -1.3237 -1.3237 -1.2964 -1.2964 -1.1198 -1.1198 -0.7868 -0.7868 -0.4615 -0.4615 -0.3992 -0.3992 -0.0049 -0.0049 0.3529 0.3529 5.8270 5.8270 6.0317 6.0317 6.5775 6.5775 6.5933 6.5933 6.8954 6.8954 7.0539 7.0539 k = 0.1806 0.5000 0.1806 ( 7894 PWs) bands (ev): -18.7254 -18.7254 -18.6105 -18.6105 -18.3969 -18.3969 -18.3936 -18.3936 -17.0458 -17.0458 -16.8208 -16.8208 -16.5653 -16.5653 -16.5637 -16.5637 -11.2582 -11.2582 -10.9998 -10.9998 -7.8585 -7.8585 -7.8207 -7.8207 -7.6001 -7.6001 -7.3856 -7.3856 -7.2271 -7.2271 -7.1754 -7.1754 -5.1445 -5.1445 -5.1329 -5.1329 -5.1194 -5.1194 -5.0697 -5.0697 -4.8705 -4.8705 -4.8194 -4.8194 -4.7685 -4.7685 -4.6629 -4.6629 -1.3244 -1.3244 -1.2980 -1.2980 -1.1018 -1.1018 -0.7482 -0.7482 -0.5199 -0.5199 -0.3449 -0.3449 -0.0432 -0.0432 0.3294 0.3294 5.8391 5.8391 6.0234 6.0234 6.5540 6.5540 6.5676 6.5676 6.8789 6.8789 7.1542 7.1542 k = 0.1667 0.5000 0.1667 ( 7900 PWs) bands (ev): -18.7189 -18.7189 -18.6197 -18.6197 -18.3963 -18.3963 -18.3932 -18.3932 -17.0299 -17.0299 -16.8352 -16.8352 -16.5653 -16.5653 -16.5638 -16.5638 -11.2413 -11.2413 -11.0176 -11.0176 -7.8588 -7.8588 -7.8235 -7.8235 -7.5879 -7.5879 -7.3963 -7.3963 -7.2215 -7.2215 -7.1735 -7.1735 -5.1458 -5.1458 -5.1364 -5.1364 -5.1148 -5.1148 -5.0702 -5.0702 -4.8518 -4.8518 -4.8278 -4.8278 -4.7813 -4.7813 -4.6693 -4.6693 -1.3251 -1.3251 -1.2999 -1.2999 -1.0835 -1.0835 -0.7094 -0.7094 -0.5755 -0.5755 -0.2925 -0.2925 -0.0808 -0.0808 0.3050 0.3050 5.8515 5.8515 6.0136 6.0136 6.5193 6.5193 6.5595 6.5595 6.8626 6.8626 7.2556 7.2556 k = 0.1528 0.5000 0.1528 ( 7876 PWs) bands (ev): -18.7126 -18.7126 -18.6283 -18.6283 -18.3957 -18.3957 -18.3929 -18.3929 -17.0149 -17.0149 -16.8489 -16.8489 -16.5653 -16.5653 -16.5639 -16.5639 -11.2252 -11.2252 -11.0345 -11.0345 -7.8585 -7.8585 -7.8261 -7.8261 -7.5757 -7.5757 -7.4074 -7.4074 -7.2162 -7.2162 -7.1724 -7.1724 -5.1471 -5.1471 -5.1395 -5.1395 -5.1102 -5.1102 -5.0707 -5.0707 -4.8359 -4.8359 -4.8328 -4.8328 -4.7936 -4.7936 -4.6755 -4.6755 -1.3256 -1.3256 -1.3020 -1.3020 -1.0648 -1.0648 -0.6705 -0.6705 -0.6278 -0.6278 -0.2425 -0.2425 -0.1174 -0.1174 0.2799 0.2799 5.8638 5.8638 6.0029 6.0029 6.4893 6.4893 6.5535 6.5535 6.8468 6.8468 7.3578 7.3578 k = 0.1389 0.5000 0.1389 ( 7880 PWs) bands (ev): -18.7066 -18.7066 -18.6363 -18.6363 -18.3951 -18.3951 -18.3926 -18.3926 -17.0010 -17.0010 -16.8619 -16.8619 -16.5653 -16.5653 -16.5640 -16.5640 -11.2100 -11.2100 -11.0503 -11.0503 -7.8576 -7.8576 -7.8285 -7.8285 -7.5638 -7.5638 -7.4186 -7.4186 -7.2111 -7.2111 -7.1721 -7.1721 -5.1484 -5.1484 -5.1423 -5.1423 -5.1055 -5.1055 -5.0712 -5.0712 -4.8424 -4.8424 -4.8158 -4.8158 -4.8050 -4.8050 -4.6813 -4.6813 -1.3262 -1.3262 -1.3045 -1.3045 -1.0462 -1.0462 -0.6768 -0.6768 -0.6318 -0.6318 -0.1954 -0.1954 -0.1527 -0.1527 0.2541 0.2541 5.8756 5.8756 5.9917 5.9917 6.4647 6.4647 6.5491 6.5491 6.8315 6.8315 7.4447 7.4447 k = 0.1250 0.5000 0.1250 ( 7890 PWs) bands (ev): -18.7011 -18.7011 -18.6436 -18.6436 -18.3945 -18.3945 -18.3923 -18.3923 -16.9880 -16.9880 -16.8740 -16.8740 -16.5653 -16.5653 -16.5641 -16.5641 -11.1958 -11.1958 -11.0650 -11.0650 -7.8563 -7.8563 -7.8308 -7.8308 -7.5524 -7.5524 -7.4298 -7.4298 -7.2064 -7.2064 -7.1725 -7.1725 -5.1495 -5.1495 -5.1448 -5.1448 -5.1008 -5.1008 -5.0716 -5.0716 -4.8486 -4.8486 -4.8174 -4.8174 -4.7975 -4.7975 -4.6868 -4.6868 -1.3268 -1.3268 -1.3072 -1.3072 -1.0276 -1.0276 -0.7218 -0.7218 -0.5936 -0.5936 -0.1868 -0.1868 -0.1512 -0.1512 0.2279 0.2279 5.8867 5.8867 5.9806 5.9806 6.4462 6.4462 6.5458 6.5458 6.8170 6.8170 7.3473 7.3473 k = 0.1111 0.5000 0.1111 ( 7878 PWs) bands (ev): -18.6960 -18.6960 -18.6501 -18.6501 -18.3939 -18.3939 -18.3920 -18.3920 -16.9762 -16.9762 -16.8851 -16.8851 -16.5653 -16.5653 -16.5642 -16.5642 -11.1828 -11.1828 -11.0783 -11.0783 -7.8546 -7.8546 -7.8329 -7.8329 -7.5414 -7.5414 -7.4408 -7.4408 -7.2021 -7.2021 -7.1735 -7.1735 -5.1506 -5.1506 -5.1468 -5.1468 -5.0962 -5.0962 -5.0720 -5.0720 -4.8541 -4.8541 -4.8279 -4.8279 -4.7814 -4.7814 -4.6918 -4.6918 -1.3272 -1.3272 -1.3101 -1.3101 -1.0093 -1.0093 -0.7626 -0.7626 -0.5561 -0.5561 -0.2189 -0.2189 -0.1107 -0.1107 0.2014 0.2014 5.8965 5.8965 5.9698 5.9698 6.4344 6.4344 6.5435 6.5435 6.8035 6.8035 7.2536 7.2536 k = 0.0972 0.5000 0.0972 ( 7882 PWs) bands (ev): -18.6914 -18.6914 -18.6560 -18.6560 -18.3933 -18.3933 -18.3917 -18.3917 -16.9657 -16.9657 -16.8952 -16.8952 -16.5653 -16.5653 -16.5644 -16.5644 -11.1711 -11.1711 -11.0903 -11.0903 -7.8527 -7.8527 -7.8347 -7.8347 -7.5312 -7.5312 -7.4513 -7.4513 -7.1981 -7.1981 -7.1749 -7.1749 -5.1516 -5.1516 -5.1486 -5.1486 -5.0917 -5.0917 -5.0723 -5.0723 -4.8589 -4.8589 -4.8379 -4.8379 -4.7664 -4.7664 -4.6964 -4.6964 -1.3277 -1.3277 -1.3132 -1.3132 -0.9917 -0.9917 -0.7991 -0.7991 -0.5199 -0.5199 -0.2489 -0.2489 -0.0741 -0.0741 0.1750 0.1750 5.9048 5.9048 5.9596 5.9596 6.4297 6.4297 6.5419 6.5419 6.7911 6.7911 7.1642 7.1642 k = 0.0833 0.5000 0.0833 ( 7862 PWs) bands (ev): -18.6873 -18.6873 -18.6612 -18.6612 -18.3927 -18.3927 -18.3915 -18.3915 -16.9564 -16.9564 -16.9042 -16.9042 -16.5653 -16.5653 -16.5645 -16.5645 -11.1607 -11.1607 -11.1009 -11.1009 -7.8505 -7.8505 -7.8364 -7.8364 -7.5218 -7.5218 -7.4610 -7.4610 -7.1946 -7.1946 -7.1765 -7.1765 -5.1524 -5.1524 -5.1500 -5.1500 -5.0874 -5.0874 -5.0726 -5.0726 -4.8631 -4.8631 -4.8469 -4.8469 -4.7527 -4.7527 -4.7004 -4.7004 -1.3281 -1.3281 -1.3164 -1.3164 -0.9749 -0.9749 -0.8308 -0.8308 -0.4852 -0.4852 -0.2764 -0.2764 -0.0416 -0.0416 0.1491 0.1491 5.9114 5.9114 5.9504 5.9504 6.4325 6.4325 6.5408 6.5408 6.7800 6.7800 7.0794 7.0794 k = 0.0694 0.5000 0.0694 ( 7874 PWs) bands (ev): -18.6838 -18.6838 -18.6655 -18.6655 -18.3922 -18.3922 -18.3913 -18.3913 -16.9484 -16.9484 -16.9119 -16.9119 -16.5653 -16.5653 -16.5646 -16.5646 -11.1518 -11.1518 -11.1100 -11.1100 -7.8483 -7.8483 -7.8378 -7.8378 -7.5134 -7.5134 -7.4699 -7.4699 -7.1916 -7.1916 -7.1784 -7.1784 -5.1531 -5.1531 -5.1512 -5.1512 -5.0835 -5.0835 -5.0728 -5.0728 -4.8666 -4.8666 -4.8549 -4.8549 -4.7408 -4.7408 -4.7039 -4.7039 -1.3284 -1.3284 -1.3196 -1.3196 -0.9596 -0.9596 -0.8578 -0.8578 -0.4529 -0.4529 -0.3011 -0.3011 -0.0136 -0.0136 0.1243 0.1243 5.9162 5.9162 5.9423 5.9423 6.4426 6.4426 6.5401 6.5401 6.7703 6.7703 6.9999 6.9999 k = 0.0556 0.5000 0.0556 ( 7876 PWs) bands (ev): -18.6809 -18.6809 -18.6691 -18.6691 -18.3918 -18.3918 -18.3912 -18.3912 -16.9418 -16.9418 -16.9183 -16.9183 -16.5652 -16.5652 -16.5647 -16.5647 -11.1444 -11.1444 -11.1175 -11.1175 -7.8463 -7.8463 -7.8390 -7.8390 -7.5063 -7.5063 -7.4775 -7.4775 -7.1891 -7.1891 -7.1802 -7.1802 -5.1537 -5.1537 -5.1522 -5.1522 -5.0801 -5.0801 -5.0730 -5.0730 -4.8695 -4.8695 -4.8617 -4.8617 -4.7308 -4.7308 -4.7069 -4.7069 -1.3287 -1.3287 -1.3225 -1.3225 -0.9459 -0.9459 -0.8798 -0.8798 -0.4238 -0.4238 -0.3224 -0.3224 0.0097 0.0097 0.1014 0.1014 5.9194 5.9194 5.9355 5.9355 6.4595 6.4595 6.5396 6.5396 6.7622 6.7622 6.9265 6.9265 k = 0.0417 0.5000 0.0417 ( 7892 PWs) bands (ev): -18.6786 -18.6786 -18.6720 -18.6720 -18.3915 -18.3915 -18.3911 -18.3911 -16.9366 -16.9366 -16.9233 -16.9233 -16.5652 -16.5652 -16.5648 -16.5648 -11.1386 -11.1386 -11.1234 -11.1234 -7.8445 -7.8445 -7.8399 -7.8399 -7.5005 -7.5005 -7.4837 -7.4837 -7.1872 -7.1872 -7.1818 -7.1818 -5.1541 -5.1541 -5.1530 -5.1530 -5.0773 -5.0773 -5.0732 -5.0732 -4.8718 -4.8718 -4.8672 -4.8672 -4.7227 -4.7227 -4.7092 -4.7092 -1.3290 -1.3290 -1.3251 -1.3251 -0.9346 -0.9346 -0.8969 -0.8969 -0.3990 -0.3990 -0.3397 -0.3397 0.0280 0.0280 0.0815 0.0815 5.9213 5.9213 5.9301 5.9301 6.4818 6.4818 6.5393 6.5393 6.7558 6.7558 6.8604 6.8604 k = 0.0278 0.5000 0.0278 ( 7896 PWs) bands (ev): -18.6769 -18.6769 -18.6740 -18.6740 -18.3912 -18.3912 -18.3910 -18.3910 -16.9329 -16.9329 -16.9270 -16.9270 -16.5652 -16.5652 -16.5649 -16.5649 -11.1344 -11.1344 -11.1276 -11.1276 -7.8431 -7.8431 -7.8406 -7.8406 -7.4963 -7.4963 -7.4883 -7.4883 -7.1858 -7.1858 -7.1831 -7.1831 -5.1543 -5.1543 -5.1536 -5.1536 -5.0752 -5.0752 -5.0733 -5.0733 -4.8734 -4.8734 -4.8713 -4.8713 -4.7169 -4.7169 -4.7108 -4.7108 -1.3291 -1.3291 -1.3270 -1.3270 -0.9261 -0.9261 -0.9091 -0.9091 -0.3797 -0.3797 -0.3525 -0.3525 0.0412 0.0412 0.0657 0.0657 5.9223 5.9223 5.9261 5.9261 6.5069 6.5069 6.5391 6.5391 6.7512 6.7512 6.8043 6.8043 k = 0.0139 0.5000 0.0139 ( 7904 PWs) bands (ev): -18.6759 -18.6759 -18.6752 -18.6752 -18.3910 -18.3910 -18.3909 -18.3909 -16.9307 -16.9307 -16.9292 -16.9292 -16.5651 -16.5651 -16.5650 -16.5650 -11.1319 -11.1319 -11.1302 -11.1302 -7.8421 -7.8421 -7.8411 -7.8411 -7.4936 -7.4936 -7.4912 -7.4912 -7.1849 -7.1849 -7.1840 -7.1840 -5.1543 -5.1543 -5.1540 -5.1540 -5.0739 -5.0739 -5.0734 -5.0734 -4.8744 -4.8744 -4.8737 -4.8737 -4.7134 -4.7134 -4.7118 -4.7118 -1.3292 -1.3292 -1.3284 -1.3284 -0.9208 -0.9208 -0.9164 -0.9164 -0.3674 -0.3674 -0.3604 -0.3604 0.0492 0.0492 0.0555 0.0555 5.9228 5.9228 5.9237 5.9237 6.5292 6.5292 6.5390 6.5390 6.7483 6.7483 6.7634 6.7634 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -18.6756 -18.6756 -18.6756 -18.6756 -18.3910 -18.3910 -18.3910 -18.3910 -16.9299 -16.9299 -16.9299 -16.9299 -16.5651 -16.5651 -16.5651 -16.5651 -11.1310 -11.1310 -11.1310 -11.1310 -7.8415 -7.8415 -7.8415 -7.8415 -7.4925 -7.4925 -7.4925 -7.4925 -7.1844 -7.1844 -7.1844 -7.1844 -5.1542 -5.1542 -5.1542 -5.1542 -5.0734 -5.0734 -5.0734 -5.0734 -4.8746 -4.8746 -4.8746 -4.8746 -4.7122 -4.7122 -4.7122 -4.7122 -1.3290 -1.3290 -1.3290 -1.3290 -0.9189 -0.9189 -0.9189 -0.9189 -0.3631 -0.3631 -0.3631 -0.3631 0.0519 0.0519 0.0519 0.0519 5.9229 5.9229 5.9229 5.9229 6.5389 6.5389 6.5389 6.5389 6.7474 6.7474 6.7474 6.7474 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -18.6660 -18.6660 -18.6660 -18.6660 -18.4007 -18.4007 -18.4007 -18.4007 -16.9318 -16.9318 -16.9318 -16.9318 -16.5635 -16.5635 -16.5635 -16.5635 -11.1302 -11.1302 -11.1302 -11.1302 -7.8604 -7.8604 -7.8604 -7.8604 -7.4933 -7.4933 -7.4933 -7.4933 -7.1762 -7.1762 -7.1762 -7.1762 -5.1495 -5.1495 -5.1495 -5.1495 -5.0439 -5.0439 -5.0439 -5.0439 -4.9112 -4.9112 -4.9112 -4.9112 -4.7031 -4.7031 -4.7031 -4.7031 -1.3189 -1.3189 -1.3189 -1.3189 -0.8324 -0.8324 -0.8324 -0.8324 -0.4018 -0.4018 -0.4018 -0.4018 0.0306 0.0306 0.0306 0.0306 6.3682 6.3682 6.3682 6.3682 6.4122 6.4122 6.4122 6.4122 7.2316 7.2316 7.2316 7.2316 k = 0.5000 0.5000 0.0192 ( 7852 PWs) bands (ev): -18.6781 -18.6781 -18.6536 -18.6536 -18.4007 -18.4007 -18.4007 -18.4007 -16.9552 -16.9552 -16.9085 -16.9085 -16.5636 -16.5636 -16.5634 -16.5634 -11.1571 -11.1571 -11.1031 -11.1031 -7.8604 -7.8604 -7.8598 -7.8598 -7.5067 -7.5067 -7.4804 -7.4804 -7.1769 -7.1769 -7.1765 -7.1765 -5.1528 -5.1528 -5.1460 -5.1460 -5.0443 -5.0443 -5.0437 -5.0437 -4.9292 -4.9292 -4.8929 -4.8929 -4.7027 -4.7027 -4.7023 -4.7023 -1.3201 -1.3201 -1.3177 -1.3177 -0.8355 -0.8355 -0.8345 -0.8345 -0.4583 -0.4583 -0.3450 -0.3450 0.0330 0.0330 0.0339 0.0339 6.3269 6.3269 6.4071 6.4071 6.4090 6.4090 6.4126 6.4126 7.2215 7.2215 7.2305 7.2305 k = 0.5000 0.5000 0.0385 ( 7852 PWs) bands (ev): -18.6899 -18.6899 -18.6409 -18.6409 -18.4008 -18.4008 -18.4006 -18.4006 -16.9789 -16.9789 -16.8855 -16.8855 -16.5636 -16.5636 -16.5634 -16.5634 -11.1838 -11.1838 -11.0760 -11.0760 -7.8599 -7.8599 -7.8587 -7.8587 -7.5203 -7.5203 -7.4679 -7.4679 -7.1785 -7.1785 -7.1777 -7.1777 -5.1558 -5.1558 -5.1422 -5.1422 -5.0449 -5.0449 -5.0436 -5.0436 -4.9468 -4.9468 -4.8743 -4.8743 -4.7013 -4.7013 -4.7004 -4.7004 -1.3212 -1.3212 -1.3165 -1.3165 -0.8436 -0.8436 -0.8417 -0.8417 -0.5143 -0.5143 -0.2882 -0.2882 0.0414 0.0414 0.0431 0.0431 6.2861 6.2861 6.4003 6.4003 6.4013 6.4013 6.4523 6.4523 7.1982 7.1982 7.2280 7.2280 k = 0.5000 0.5000 0.0577 ( 7860 PWs) bands (ev): -18.7014 -18.7014 -18.6280 -18.6280 -18.4008 -18.4008 -18.4006 -18.4006 -17.0026 -17.0026 -16.8629 -16.8629 -16.5637 -16.5637 -16.5633 -16.5633 -11.2102 -11.2102 -11.0489 -11.0489 -7.8589 -7.8589 -7.8571 -7.8571 -7.5343 -7.5343 -7.4558 -7.4558 -7.1811 -7.1811 -7.1799 -7.1799 -5.1586 -5.1586 -5.1382 -5.1382 -5.0455 -5.0455 -5.0437 -5.0437 -4.9640 -4.9640 -4.8555 -4.8555 -4.6988 -4.6988 -4.6974 -4.6974 -1.3223 -1.3223 -1.3152 -1.3152 -0.8563 -0.8563 -0.8535 -0.8535 -0.5698 -0.5698 -0.2315 -0.2315 0.0551 0.0551 0.0576 0.0576 6.2459 6.2459 6.3862 6.3862 6.3878 6.3878 6.4942 6.4942 7.1779 7.1779 7.2242 7.2242 k = 0.5000 0.5000 0.0769 ( 7860 PWs) bands (ev): -18.7125 -18.7125 -18.6149 -18.6149 -18.4008 -18.4008 -18.4006 -18.4006 -17.0263 -17.0263 -16.8407 -16.8407 -16.5638 -16.5638 -16.5633 -16.5633 -11.2362 -11.2362 -11.0220 -11.0220 -7.8574 -7.8574 -7.8550 -7.8550 -7.5485 -7.5485 -7.4442 -7.4442 -7.1846 -7.1846 -7.1830 -7.1830 -5.1612 -5.1612 -5.1341 -5.1341 -5.0463 -5.0463 -5.0439 -5.0439 -4.9807 -4.9807 -4.8366 -4.8366 -4.6952 -4.6952 -4.6933 -4.6933 -1.3232 -1.3232 -1.3139 -1.3139 -0.8731 -0.8731 -0.8695 -0.8695 -0.6244 -0.6244 -0.1750 -0.1750 0.0738 0.0738 0.0769 0.0769 6.2064 6.2064 6.3668 6.3668 6.3691 6.3691 6.5362 6.5362 7.1607 7.1607 7.2199 7.2199 k = 0.5000 0.5000 0.0962 ( 7844 PWs) bands (ev): -18.7232 -18.7232 -18.6016 -18.6016 -18.4008 -18.4008 -18.4005 -18.4005 -17.0499 -17.0499 -16.8190 -16.8190 -16.5639 -16.5639 -16.5633 -16.5633 -11.2617 -11.2617 -10.9952 -10.9952 -7.8553 -7.8553 -7.8524 -7.8524 -7.5628 -7.5628 -7.4332 -7.4332 -7.1890 -7.1890 -7.1869 -7.1869 -5.1634 -5.1634 -5.1298 -5.1298 -5.0472 -5.0472 -5.0442 -5.0442 -4.9970 -4.9970 -4.8177 -4.8177 -4.6905 -4.6905 -4.6883 -4.6883 -1.3241 -1.3241 -1.3125 -1.3125 -0.8933 -0.8933 -0.8890 -0.8890 -0.6782 -0.6782 -0.1190 -0.1190 0.0966 0.0966 0.1004 0.1004 6.1678 6.1678 6.3426 6.3426 6.3455 6.3455 6.5780 6.5780 7.1468 7.1468 7.2157 7.2157 k = 0.5000 0.5000 0.1154 ( 7860 PWs) bands (ev): -18.7335 -18.7335 -18.5883 -18.5883 -18.4009 -18.4009 -18.4004 -18.4004 -17.0734 -17.0734 -16.7978 -16.7978 -16.5640 -16.5640 -16.5632 -16.5632 -11.2866 -11.2866 -10.9688 -10.9688 -7.8529 -7.8529 -7.8492 -7.8492 -7.5773 -7.5773 -7.4227 -7.4227 -7.1943 -7.1943 -7.1918 -7.1918 -5.1655 -5.1655 -5.1254 -5.1254 -5.0481 -5.0481 -5.0446 -5.0446 -5.0127 -5.0127 -4.7987 -4.7987 -4.6850 -4.6850 -4.6825 -4.6825 -1.3250 -1.3250 -1.3112 -1.3112 -0.9163 -0.9163 -0.9114 -0.9114 -0.7308 -0.7308 -0.0636 -0.0636 0.1229 0.1229 0.1272 0.1272 6.1301 6.1301 6.3139 6.3139 6.3174 6.3174 6.6194 6.6194 7.1360 7.1360 7.2121 7.2121 k = 0.5000 0.5000 0.1346 ( 7860 PWs) bands (ev): -18.7434 -18.7434 -18.5748 -18.5748 -18.4009 -18.4009 -18.4004 -18.4004 -17.0967 -17.0967 -16.7772 -16.7772 -16.5640 -16.5640 -16.5632 -16.5632 -11.3109 -11.3109 -10.9429 -10.9429 -7.8499 -7.8499 -7.8457 -7.8457 -7.5918 -7.5918 -7.4127 -7.4127 -7.2003 -7.2003 -7.1973 -7.1973 -5.1674 -5.1674 -5.1209 -5.1209 -5.0492 -5.0492 -5.0452 -5.0452 -5.0278 -5.0278 -4.7798 -4.7798 -4.6787 -4.6787 -4.6758 -4.6758 -1.3258 -1.3258 -1.3098 -1.3098 -0.9413 -0.9413 -0.9359 -0.9359 -0.7823 -0.7823 -0.0091 -0.0091 0.1520 0.1520 0.1566 0.1566 6.0936 6.0936 6.2814 6.2814 6.2853 6.2853 6.6602 6.6602 7.1286 7.1286 7.2097 7.2097 k = 0.5000 0.5000 0.1538 ( 7860 PWs) bands (ev): -18.7528 -18.7528 -18.5614 -18.5614 -18.4009 -18.4009 -18.4003 -18.4003 -17.1197 -17.1197 -16.7573 -16.7573 -16.5641 -16.5641 -16.5632 -16.5632 -11.3344 -11.3344 -10.9174 -10.9174 -7.8465 -7.8465 -7.8417 -7.8417 -7.6063 -7.6063 -7.4032 -7.4032 -7.2070 -7.2070 -7.2036 -7.2036 -5.1690 -5.1690 -5.1162 -5.1162 -5.0502 -5.0502 -5.0458 -5.0458 -5.0422 -5.0422 -4.7610 -4.7610 -4.6716 -4.6716 -4.6684 -4.6684 -1.3265 -1.3265 -1.3084 -1.3084 -0.9677 -0.9677 -0.9618 -0.9618 -0.8323 -0.8323 0.0445 0.0445 0.1831 0.1831 0.1881 0.1881 6.0582 6.0582 6.2455 6.2455 6.2500 6.2500 6.7002 6.7002 7.1245 7.1245 7.2089 7.2089 k = 0.5000 0.5000 0.1731 ( 7860 PWs) bands (ev): -18.7618 -18.7618 -18.5479 -18.5479 -18.4009 -18.4009 -18.4003 -18.4003 -17.1423 -17.1423 -16.7380 -16.7380 -16.5642 -16.5642 -16.5632 -16.5632 -11.3572 -11.3572 -10.8926 -10.8926 -7.8428 -7.8428 -7.8373 -7.8373 -7.6206 -7.6206 -7.3943 -7.3943 -7.2143 -7.2143 -7.2105 -7.2105 -5.1704 -5.1704 -5.1116 -5.1116 -5.0562 -5.0562 -5.0512 -5.0512 -5.0465 -5.0465 -4.7425 -4.7425 -4.6639 -4.6639 -4.6604 -4.6604 -1.3271 -1.3271 -1.3070 -1.3070 -0.9950 -0.9950 -0.9888 -0.9888 -0.8807 -0.8807 0.0967 0.0967 0.2156 0.2156 0.2209 0.2209 6.0242 6.0242 6.2071 6.2071 6.2120 6.2120 6.7393 6.7393 7.1237 7.1237 7.2097 7.2097 k = 0.5000 0.5000 0.1923 ( 7872 PWs) bands (ev): -18.7704 -18.7704 -18.5346 -18.5346 -18.4009 -18.4009 -18.4002 -18.4002 -17.1645 -17.1645 -16.7195 -16.7195 -16.5643 -16.5643 -16.5632 -16.5632 -11.3791 -11.3791 -10.8685 -10.8685 -7.8386 -7.8386 -7.8325 -7.8325 -7.6348 -7.6348 -7.3861 -7.3861 -7.2223 -7.2223 -7.2180 -7.2180 -5.1716 -5.1716 -5.1070 -5.1070 -5.0694 -5.0694 -5.0523 -5.0523 -5.0472 -5.0472 -4.7244 -4.7244 -4.6556 -4.6556 -4.6520 -4.6520 -1.3277 -1.3277 -1.3056 -1.3056 -1.0227 -1.0227 -1.0162 -1.0162 -0.9275 -0.9275 0.1476 0.1476 0.2491 0.2491 0.2545 0.2545 5.9915 5.9915 6.1667 6.1667 6.1720 6.1720 6.7772 6.7772 7.1263 7.1263 7.2124 7.2124 k = 0.5000 0.5000 0.2115 ( 7872 PWs) bands (ev): -18.7785 -18.7785 -18.5214 -18.5214 -18.4009 -18.4009 -18.4002 -18.4002 -17.1861 -17.1861 -16.7019 -16.7019 -16.5644 -16.5644 -16.5632 -16.5632 -11.4000 -11.4000 -10.8452 -10.8452 -7.8342 -7.8342 -7.8274 -7.8274 -7.6486 -7.6486 -7.3783 -7.3783 -7.2306 -7.2306 -7.2259 -7.2259 -5.1725 -5.1725 -5.1024 -5.1024 -5.0819 -5.0819 -5.0533 -5.0533 -5.0480 -5.0480 -4.7066 -4.7066 -4.6470 -4.6470 -4.6432 -4.6432 -1.3282 -1.3282 -1.3042 -1.3042 -1.0504 -1.0504 -1.0436 -1.0436 -0.9724 -0.9724 0.1968 0.1968 0.2829 0.2829 0.2885 0.2885 5.9602 5.9602 6.1250 6.1250 6.1307 6.1307 6.8137 6.8137 7.1321 7.1321 7.2169 7.2169 k = 0.5000 0.5000 0.2308 ( 7864 PWs) bands (ev): -18.7861 -18.7861 -18.5085 -18.5085 -18.4009 -18.4009 -18.4001 -18.4001 -17.2070 -17.2070 -16.6851 -16.6851 -16.5645 -16.5645 -16.5632 -16.5632 -11.4199 -11.4199 -10.8228 -10.8228 -7.8295 -7.8295 -7.8220 -7.8220 -7.6621 -7.6621 -7.3712 -7.3712 -7.2393 -7.2393 -7.2341 -7.2341 -5.1734 -5.1734 -5.0981 -5.0981 -5.0934 -5.0934 -5.0543 -5.0543 -5.0488 -5.0488 -4.6894 -4.6894 -4.6382 -4.6382 -4.6342 -4.6342 -1.3286 -1.3286 -1.3029 -1.3029 -1.0778 -1.0778 -1.0707 -1.0707 -1.0153 -1.0153 0.2441 0.2441 0.3167 0.3167 0.3224 0.3224 5.9306 5.9306 6.0829 6.0829 6.0888 6.0888 6.8487 6.8487 7.1411 7.1411 7.2232 7.2232 k = 0.5000 0.5000 0.2500 ( 7844 PWs) bands (ev): -18.7932 -18.7932 -18.4959 -18.4959 -18.4009 -18.4009 -18.4000 -18.4000 -17.2271 -17.2271 -16.6692 -16.6692 -16.5646 -16.5646 -16.5632 -16.5632 -11.4388 -11.4388 -10.8015 -10.8015 -7.8246 -7.8246 -7.8164 -7.8164 -7.6752 -7.6752 -7.3646 -7.3646 -7.2482 -7.2482 -7.2426 -7.2426 -5.1741 -5.1741 -5.1050 -5.1050 -5.0931 -5.0931 -5.0552 -5.0552 -5.0495 -5.0495 -4.6727 -4.6727 -4.6292 -4.6292 -4.6251 -4.6251 -1.3291 -1.3291 -1.3016 -1.3016 -1.1044 -1.1044 -1.0971 -1.0971 -1.0560 -1.0560 0.2894 0.2894 0.3501 0.3501 0.3559 0.3559 5.9025 5.9025 6.0408 6.0408 6.0470 6.0470 6.8820 6.8820 7.1530 7.1530 7.2311 7.2311 k = 0.5000 0.5000 0.2692 ( 7876 PWs) bands (ev): -18.7998 -18.7998 -18.4836 -18.4836 -18.4009 -18.4009 -18.4000 -18.4000 -17.2464 -17.2464 -16.6543 -16.6543 -16.5647 -16.5647 -16.5632 -16.5632 -11.4566 -11.4566 -10.7813 -10.7813 -7.8197 -7.8197 -7.8107 -7.8107 -7.6877 -7.6877 -7.3586 -7.3586 -7.2573 -7.2573 -7.2512 -7.2512 -5.1746 -5.1746 -5.1153 -5.1153 -5.0890 -5.0890 -5.0560 -5.0560 -5.0502 -5.0502 -4.6568 -4.6568 -4.6202 -4.6202 -4.6161 -4.6161 -1.3294 -1.3294 -1.3004 -1.3004 -1.1301 -1.1301 -1.1227 -1.1227 -1.0945 -1.0945 0.3324 0.3324 0.3825 0.3825 0.3883 0.3883 5.8762 5.8762 5.9994 5.9994 6.0058 6.0058 6.9133 6.9133 7.1677 7.1677 7.2406 7.2406 k = 0.5000 0.5000 0.2885 ( 7884 PWs) bands (ev): -18.8059 -18.8059 -18.4719 -18.4719 -18.4008 -18.4008 -18.3999 -18.3999 -17.2648 -17.2648 -16.6404 -16.6404 -16.5648 -16.5648 -16.5632 -16.5632 -11.4731 -11.4731 -10.7623 -10.7623 -7.8146 -7.8146 -7.8049 -7.8049 -7.6995 -7.6995 -7.3531 -7.3531 -7.2663 -7.2663 -7.2598 -7.2598 -5.1751 -5.1751 -5.1248 -5.1248 -5.0850 -5.0850 -5.0568 -5.0568 -5.0509 -5.0509 -4.6417 -4.6417 -4.6114 -4.6114 -4.6073 -4.6073 -1.3297 -1.3297 -1.2993 -1.2993 -1.1546 -1.1546 -1.1470 -1.1470 -1.1304 -1.1304 0.3728 0.3728 0.4137 0.4137 0.4196 0.4196 5.8517 5.8517 5.9592 5.9592 5.9659 5.9659 6.9428 6.9428 7.1847 7.1847 7.2513 7.2513 k = 0.5000 0.5000 0.3077 ( 7884 PWs) bands (ev): -18.8115 -18.8115 -18.4607 -18.4607 -18.4008 -18.4008 -18.3999 -18.3999 -17.2820 -17.2820 -16.6276 -16.6276 -16.5649 -16.5649 -16.5632 -16.5632 -11.4884 -11.4884 -10.7445 -10.7445 -7.8096 -7.8096 -7.7991 -7.7991 -7.7106 -7.7106 -7.3483 -7.3483 -7.2752 -7.2752 -7.2683 -7.2683 -5.1754 -5.1754 -5.1336 -5.1336 -5.0812 -5.0812 -5.0574 -5.0574 -5.0516 -5.0516 -4.6276 -4.6276 -4.6027 -4.6027 -4.5987 -4.5987 -1.3300 -1.3300 -1.2982 -1.2982 -1.1776 -1.1776 -1.1699 -1.1699 -1.1638 -1.1638 0.4105 0.4105 0.4435 0.4435 0.4493 0.4493 5.8290 5.8290 5.9208 5.9208 5.9276 5.9276 6.9702 6.9702 7.2036 7.2036 7.2630 7.2630 k = 0.5000 0.5000 0.3269 ( 7880 PWs) bands (ev): -18.8166 -18.8166 -18.4502 -18.4502 -18.4008 -18.4008 -18.3998 -18.3998 -17.2981 -17.2981 -16.6158 -16.6158 -16.5649 -16.5649 -16.5632 -16.5632 -11.5024 -11.5024 -10.7282 -10.7282 -7.8047 -7.8047 -7.7934 -7.7934 -7.7209 -7.7209 -7.3440 -7.3440 -7.2838 -7.2838 -7.2765 -7.2765 -5.1756 -5.1756 -5.1416 -5.1416 -5.0778 -5.0778 -5.0579 -5.0579 -5.0522 -5.0522 -4.6144 -4.6144 -4.5945 -4.5945 -4.5905 -4.5905 -1.3301 -1.3301 -1.2972 -1.2972 -1.1992 -1.1992 -1.1942 -1.1942 -1.1911 -1.1911 0.4453 0.4453 0.4715 0.4715 0.4771 0.4771 5.8083 5.8083 5.8847 5.8847 5.8916 5.8916 6.9957 6.9957 7.2240 7.2240 7.2756 7.2756 k = 0.5000 0.5000 0.3462 ( 7872 PWs) bands (ev): -18.8212 -18.8212 -18.4404 -18.4404 -18.4008 -18.4008 -18.3998 -18.3998 -17.3129 -17.3129 -16.6052 -16.6052 -16.5650 -16.5650 -16.5632 -16.5632 -11.5150 -11.5150 -10.7133 -10.7133 -7.8000 -7.8000 -7.7879 -7.7879 -7.7302 -7.7302 -7.3402 -7.3402 -7.2919 -7.2919 -7.2844 -7.2844 -5.1758 -5.1758 -5.1488 -5.1488 -5.0747 -5.0747 -5.0581 -5.0581 -5.0528 -5.0528 -4.6024 -4.6024 -4.5867 -4.5867 -4.5828 -4.5828 -1.3303 -1.3303 -1.2964 -1.2964 -1.2229 -1.2229 -1.2178 -1.2178 -1.2106 -1.2106 0.4770 0.4770 0.4974 0.4974 0.5028 0.5028 5.7895 5.7895 5.8512 5.8512 5.8582 5.8582 7.0190 7.0190 7.2451 7.2451 7.2808 7.2808 k = 0.5000 0.5000 0.3654 ( 7880 PWs) bands (ev): -18.8252 -18.8252 -18.4315 -18.4315 -18.4008 -18.4008 -18.3997 -18.3997 -17.3262 -17.3262 -16.5958 -16.5958 -16.5650 -16.5650 -16.5633 -16.5633 -11.5263 -11.5263 -10.7000 -10.7000 -7.7957 -7.7957 -7.7827 -7.7827 -7.7386 -7.7386 -7.3372 -7.3372 -7.2993 -7.2993 -7.2917 -7.2917 -5.1759 -5.1759 -5.1551 -5.1551 -5.0722 -5.0722 -5.0582 -5.0582 -5.0533 -5.0533 -4.5917 -4.5917 -4.5794 -4.5794 -4.5757 -4.5757 -1.3304 -1.3304 -1.2957 -1.2957 -1.2475 -1.2475 -1.2356 -1.2356 -1.2281 -1.2281 0.5052 0.5052 0.5211 0.5211 0.5262 0.5262 5.7728 5.7728 5.8208 5.8208 5.8278 5.8278 7.0401 7.0401 7.2426 7.2426 7.2664 7.2664 k = 0.5000 0.5000 0.3846 ( 7880 PWs) bands (ev): -18.8287 -18.8287 -18.4235 -18.4235 -18.4008 -18.4008 -18.3997 -18.3997 -17.3380 -17.3380 -16.5876 -16.5876 -16.5651 -16.5651 -16.5633 -16.5633 -11.5361 -11.5361 -10.6883 -10.6883 -7.7919 -7.7919 -7.7779 -7.7779 -7.7458 -7.7458 -7.3348 -7.3348 -7.3059 -7.3059 -7.2984 -7.2984 -5.1760 -5.1760 -5.1606 -5.1606 -5.0701 -5.0701 -5.0580 -5.0580 -5.0538 -5.0538 -4.5823 -4.5823 -4.5728 -4.5728 -4.5694 -4.5694 -1.3305 -1.3305 -1.2952 -1.2952 -1.2692 -1.2692 -1.2510 -1.2510 -1.2436 -1.2436 0.5298 0.5298 0.5424 0.5424 0.5469 0.5469 5.7580 5.7580 5.7939 5.7939 5.8007 5.8007 7.0589 7.0589 7.2091 7.2091 7.2872 7.2872 k = 0.5000 0.5000 0.4038 ( 7872 PWs) bands (ev): -18.8317 -18.8317 -18.4166 -18.4166 -18.4007 -18.4007 -18.3997 -18.3997 -17.3483 -17.3483 -16.5806 -16.5806 -16.5651 -16.5651 -16.5633 -16.5633 -11.5445 -11.5445 -10.6783 -10.6783 -7.7887 -7.7887 -7.7736 -7.7736 -7.7517 -7.7517 -7.3333 -7.3333 -7.3112 -7.3112 -7.3043 -7.3043 -5.1760 -5.1760 -5.1653 -5.1653 -5.0686 -5.0686 -5.0575 -5.0575 -5.0542 -5.0542 -4.5745 -4.5745 -4.5667 -4.5667 -4.5639 -4.5639 -1.3306 -1.3306 -1.2952 -1.2952 -1.2875 -1.2875 -1.2640 -1.2640 -1.2569 -1.2569 0.5506 0.5506 0.5610 0.5610 0.5648 0.5648 5.7453 5.7453 5.7708 5.7708 5.7773 5.7773 7.0753 7.0753 7.1804 7.1804 7.3066 7.3066 k = 0.5000 0.5000 0.4231 ( 7880 PWs) bands (ev): -18.8341 -18.8341 -18.4109 -18.4109 -18.4007 -18.4007 -18.3996 -18.3996 -17.3568 -17.3568 -16.5749 -16.5749 -16.5650 -16.5650 -16.5633 -16.5633 -11.5514 -11.5514 -10.6701 -10.6701 -7.7862 -7.7862 -7.7699 -7.7699 -7.7564 -7.7564 -7.3328 -7.3328 -7.3151 -7.3151 -7.3094 -7.3094 -5.1760 -5.1760 -5.1692 -5.1692 -5.0677 -5.0677 -5.0569 -5.0569 -5.0545 -5.0545 -4.5683 -4.5683 -4.5614 -4.5614 -4.5593 -4.5593 -1.3307 -1.3307 -1.3035 -1.3035 -1.2948 -1.2948 -1.2744 -1.2744 -1.2679 -1.2679 0.5674 0.5674 0.5769 0.5769 0.5797 0.5797 5.7344 5.7344 5.7519 5.7519 5.7578 5.7578 7.0890 7.0890 7.1567 7.1567 7.3241 7.3241 k = 0.5000 0.5000 0.4423 ( 7880 PWs) bands (ev): -18.8360 -18.8360 -18.4063 -18.4063 -18.4007 -18.4007 -18.3996 -18.3996 -17.3635 -17.3635 -16.5705 -16.5705 -16.5649 -16.5649 -16.5633 -16.5633 -11.5568 -11.5568 -10.6636 -10.6636 -7.7847 -7.7847 -7.7669 -7.7669 -7.7596 -7.7596 -7.3333 -7.3333 -7.3174 -7.3174 -7.3134 -7.3134 -5.1760 -5.1760 -5.1721 -5.1721 -5.0671 -5.0671 -5.0562 -5.0562 -5.0547 -5.0547 -4.5636 -4.5636 -4.5570 -4.5570 -4.5556 -4.5556 -1.3308 -1.3308 -1.3154 -1.3154 -1.2959 -1.2959 -1.2817 -1.2817 -1.2766 -1.2766 0.5804 0.5804 0.5897 0.5897 0.5914 0.5914 5.7251 5.7251 5.7378 5.7378 5.7423 5.7423 7.0998 7.0998 7.1382 7.1382 7.3386 7.3386 k = 0.5000 0.5000 0.4615 ( 7872 PWs) bands (ev): -18.8374 -18.8374 -18.4031 -18.4031 -18.4005 -18.4005 -18.3996 -18.3996 -17.3683 -17.3683 -16.5677 -16.5677 -16.5645 -16.5645 -16.5633 -16.5633 -11.5606 -11.5606 -10.6589 -10.6589 -7.7838 -7.7838 -7.7647 -7.7647 -7.7616 -7.7616 -7.3344 -7.3344 -7.3183 -7.3183 -7.3163 -7.3163 -5.1760 -5.1760 -5.1743 -5.1743 -5.0668 -5.0668 -5.0556 -5.0556 -5.0549 -5.0549 -4.5603 -4.5603 -4.5536 -4.5536 -4.5530 -4.5530 -1.3308 -1.3308 -1.3239 -1.3239 -1.2978 -1.2978 -1.2857 -1.2857 -1.2827 -1.2827 0.5896 0.5896 0.5991 0.5991 0.5999 0.5999 5.7174 5.7174 5.7287 5.7287 5.7312 5.7312 7.1078 7.1078 7.1249 7.1249 7.3497 7.3497 k = 0.5000 0.5000 0.4808 ( 7824 PWs) bands (ev): -18.8382 -18.8382 -18.4016 -18.4016 -18.3999 -18.3999 -18.3995 -18.3995 -17.3712 -17.3712 -16.5666 -16.5666 -16.5637 -16.5637 -16.5633 -16.5633 -11.5629 -11.5629 -10.6561 -10.6561 -7.7835 -7.7835 -7.7633 -7.7633 -7.7625 -7.7625 -7.3353 -7.3353 -7.3186 -7.3186 -7.3181 -7.3181 -5.1760 -5.1760 -5.1755 -5.1755 -5.0666 -5.0666 -5.0552 -5.0552 -5.0550 -5.0550 -4.5584 -4.5584 -4.5514 -4.5514 -4.5513 -4.5513 -1.3308 -1.3308 -1.3291 -1.3291 -1.2997 -1.2997 -1.2873 -1.2873 -1.2864 -1.2864 0.5951 0.5951 0.6049 0.6049 0.6051 0.6051 5.7122 5.7122 5.7238 5.7238 5.7245 5.7245 7.1126 7.1126 7.1169 7.1169 7.3566 7.3575 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -18.8384 -18.8384 -18.4013 -18.4013 -18.3995 -18.3995 -18.3995 -18.3995 -17.3722 -17.3722 -16.5663 -16.5663 -16.5633 -16.5633 -16.5633 -16.5633 -11.5637 -11.5637 -10.6551 -10.6551 -7.7834 -7.7834 -7.7628 -7.7628 -7.7628 -7.7628 -7.3356 -7.3356 -7.3187 -7.3187 -7.3187 -7.3187 -5.1759 -5.1759 -5.1759 -5.1759 -5.0665 -5.0665 -5.0550 -5.0550 -5.0550 -5.0550 -4.5577 -4.5577 -4.5507 -4.5507 -4.5507 -4.5507 -1.3308 -1.3308 -1.3308 -1.3308 -1.3005 -1.3005 -1.2877 -1.2877 -1.2877 -1.2877 0.5970 0.5970 0.6069 0.6069 0.6069 0.6069 5.7103 5.7103 5.7223 5.7223 5.7223 5.7223 7.1142 7.1142 7.1142 7.1142 7.3584 7.3585 Writing output data file SixCN2x2.save init_run : 0.67s CPU 0.82s WALL ( 1 calls) electrons : 217.90s CPU 220.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 217.90s CPU 220.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 200 calls) cegterg : 197.56s CPU 199.85s WALL ( 278 calls) Called by sum_band: Called by *egterg: h_psi : 112.30s CPU 114.62s WALL ( 4560 calls) s_psi : 5.75s CPU 5.86s WALL ( 4560 calls) g_psi : 0.15s CPU 0.19s WALL ( 4082 calls) cdiaghg : 75.14s CPU 75.52s WALL ( 4282 calls) cegterg:over : 9.30s CPU 9.26s WALL ( 4082 calls) cegterg:upda : 5.77s CPU 5.79s WALL ( 4082 calls) cegterg:last : 3.42s CPU 3.39s WALL ( 678 calls) cdiaghg:chol : 3.14s CPU 3.28s WALL ( 4282 calls) cdiaghg:inve : 2.25s CPU 2.33s WALL ( 4282 calls) cdiaghg:para : 4.41s CPU 4.47s WALL ( 8564 calls) Called by h_psi: h_psi:vloc : 96.80s CPU 98.94s WALL ( 4560 calls) h_psi:vnl : 15.26s CPU 15.48s WALL ( 4560 calls) add_vuspsi : 7.28s CPU 7.28s WALL ( 4560 calls) General routines calbec : 7.97s CPU 8.19s WALL ( 4560 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.18s CPU 95.34s WALL ( 696360 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 400 calls) Parallel routines fft_scatter : 60.54s CPU 62.51s WALL ( 696383 calls) PWSCF : 4m 8.29s CPU 4m22.74s WALL This run was terminated on: 4:29:56 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=