Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 18:59:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag3P.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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 52 15 1706 1706 261 Max 53 53 16 1709 1709 264 Sum 1885 1885 545 61445 61445 9435 bravais-lattice index = 14 lattice parameter (alat) = 11.3384 a.u. unit-cell volume = 1457.6399 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 184.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.338356 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ag 11.00 107.86820 Ag( 1.00) P 5.00 30.97380 P( 1.00) 48 Sym. Ops., with inversion, found (24 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 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 =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 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 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( 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 =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 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 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( 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 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -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 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 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 =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -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 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( -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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -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 =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 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 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 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 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 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 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) 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= 209 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0047847 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0047847 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0047847 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0047847 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0047847 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0047847 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0047847 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0047847 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0047847 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0047847 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0047847 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0047847 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0047847 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0047847 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0047847 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0047847 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0047847 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0047847 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0047847 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0047847 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0047847 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0047847 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0047847 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0047847 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0047847 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0047847 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0047847 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0047847 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0047847 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0047847 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0047847 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0047847 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0047847 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0047847 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0047847 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0047847 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0047847 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0047847 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0047847 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0047847 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0047847 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0047847 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0047847 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0047847 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0047847 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0047847 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0047847 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0047847 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0047847 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0047847 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0047847 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0047847 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 58) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0047847 k( 59) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0047847 k( 60) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0047847 k( 61) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0047847 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0047847 k( 63) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0047847 k( 64) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0047847 k( 65) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0047847 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0047847 k( 67) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0047847 k( 68) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0047847 k( 69) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0047847 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0047847 k( 71) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0047847 k( 72) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0047847 k( 73) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0047847 k( 74) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0047847 k( 75) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0047847 k( 76) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0047847 k( 77) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0047847 k( 78) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0047847 k( 79) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0047847 k( 80) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0047847 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0047847 k( 82) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0047847 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0047847 k( 84) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0047847 k( 85) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0047847 k( 86) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0047847 k( 87) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0047847 k( 88) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0047847 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0047847 k( 90) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0047847 k( 91) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0047847 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0047847 k( 93) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0047847 k( 94) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0047847 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 97) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0047847 k( 98) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0047847 k( 99) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0047847 k( 100) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0047847 k( 101) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0047847 k( 102) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0047847 k( 103) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0047847 k( 104) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0047847 k( 105) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0047847 k( 106) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0047847 k( 107) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0047847 k( 108) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0047847 k( 109) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0047847 k( 110) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0047847 k( 111) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0047847 k( 112) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0047847 k( 113) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0047847 k( 114) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0047847 k( 115) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0047847 k( 116) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0047847 k( 117) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0047847 k( 118) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0047847 k( 119) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847 k( 120) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0047847 k( 121) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0047847 k( 122) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0047847 k( 123) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0047847 k( 124) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0047847 k( 125) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0047847 k( 126) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0047847 k( 127) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0047847 k( 128) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0047847 k( 129) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0047847 k( 130) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0047847 k( 131) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0047847 k( 132) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0047847 k( 133) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0047847 k( 134) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0047847 k( 135) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0047847 k( 136) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0047847 k( 137) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0047847 k( 138) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0047847 k( 139) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0047847 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0047847 k( 141) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0047847 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 144) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047847 k( 145) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047847 k( 146) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047847 k( 147) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047847 k( 148) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047847 k( 149) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047847 k( 150) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047847 k( 151) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047847 k( 152) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047847 k( 153) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0047847 k( 154) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047847 k( 155) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047847 k( 156) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047847 k( 157) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047847 k( 158) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047847 k( 159) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047847 k( 160) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047847 k( 161) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047847 k( 162) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047847 k( 163) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047847 k( 164) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047847 k( 165) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047847 k( 166) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047847 k( 167) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047847 k( 168) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047847 k( 169) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047847 k( 170) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047847 k( 171) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0047847 k( 172) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047847 k( 173) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047847 k( 174) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047847 k( 175) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047847 k( 176) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047847 k( 177) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047847 k( 178) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047847 k( 179) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047847 k( 180) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047847 k( 181) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 182) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 183) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047847 k( 184) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047847 k( 185) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047847 k( 186) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047847 k( 187) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047847 k( 188) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047847 k( 189) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047847 k( 190) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0047847 k( 191) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047847 k( 192) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047847 k( 193) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047847 k( 194) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047847 k( 195) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047847 k( 196) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047847 k( 197) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047847 k( 198) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047847 k( 199) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047847 k( 200) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047847 k( 201) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0047847 k( 202) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047847 k( 203) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047847 k( 204) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047847 k( 205) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047847 k( 206) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047847 k( 207) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047847 k( 208) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047847 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0047847 k( 3) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0047847 k( 4) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0047847 k( 5) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0047847 k( 6) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0047847 k( 7) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0047847 k( 8) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0047847 k( 9) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0047847 k( 10) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0047847 k( 11) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0047847 k( 12) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0047847 k( 13) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0047847 k( 14) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0047847 k( 15) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0047847 k( 16) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0047847 k( 17) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0047847 k( 18) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0047847 k( 19) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0047847 k( 20) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0047847 k( 21) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0047847 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0047847 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0047847 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0047847 k( 25) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0047847 k( 26) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0047847 k( 27) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0047847 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0047847 k( 31) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0047847 k( 32) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0047847 k( 33) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0047847 k( 34) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0047847 k( 35) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0047847 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0047847 k( 37) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0047847 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0047847 k( 39) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0047847 k( 40) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0047847 k( 41) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0047847 k( 42) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0047847 k( 43) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0047847 k( 44) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0047847 k( 45) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0047847 k( 46) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0047847 k( 47) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0047847 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0047847 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0047847 k( 50) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0047847 k( 51) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0047847 k( 52) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0047847 k( 53) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0047847 k( 54) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0047847 k( 55) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0047847 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 58) = ( 0.4868421 0.4868421 0.0000000), wk = 0.0047847 k( 59) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0047847 k( 60) = ( 0.4605263 0.4605263 0.0000000), wk = 0.0047847 k( 61) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0047847 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0047847 k( 63) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0047847 k( 64) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0047847 k( 65) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0047847 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0047847 k( 67) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0047847 k( 68) = ( 0.3552632 0.3552632 0.0000000), wk = 0.0047847 k( 69) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0047847 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0047847 k( 71) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0047847 k( 72) = ( 0.3026316 0.3026316 0.0000000), wk = 0.0047847 k( 73) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0047847 k( 74) = ( 0.2763158 0.2763158 0.0000000), wk = 0.0047847 k( 75) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0047847 k( 76) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0047847 k( 77) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0047847 k( 78) = ( 0.2236842 0.2236842 0.0000000), wk = 0.0047847 k( 79) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0047847 k( 80) = ( 0.1973684 0.1973684 0.0000000), wk = 0.0047847 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0047847 k( 82) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0047847 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0047847 k( 84) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0047847 k( 85) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0047847 k( 86) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0047847 k( 87) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0047847 k( 88) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0047847 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0047847 k( 90) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0047847 k( 91) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0047847 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0047847 k( 93) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0047847 k( 94) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0047847 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 97) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0047847 k( 98) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0047847 k( 99) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0047847 k( 100) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0047847 k( 101) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0047847 k( 102) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0047847 k( 103) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0047847 k( 104) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0047847 k( 105) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0047847 k( 106) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0047847 k( 107) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0047847 k( 108) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0047847 k( 109) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0047847 k( 110) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0047847 k( 111) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0047847 k( 112) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0047847 k( 113) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0047847 k( 114) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0047847 k( 115) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0047847 k( 116) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0047847 k( 117) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0047847 k( 118) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0047847 k( 119) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847 k( 120) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0047847 k( 121) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0047847 k( 122) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0047847 k( 123) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0047847 k( 124) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0047847 k( 125) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0047847 k( 126) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0047847 k( 127) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0047847 k( 128) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0047847 k( 129) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0047847 k( 130) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0047847 k( 131) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0047847 k( 132) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0047847 k( 133) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0047847 k( 134) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0047847 k( 135) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0047847 k( 136) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0047847 k( 137) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0047847 k( 138) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0047847 k( 139) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0047847 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0047847 k( 141) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0047847 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 144) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047847 k( 145) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047847 k( 146) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047847 k( 147) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047847 k( 148) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047847 k( 149) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047847 k( 150) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047847 k( 151) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047847 k( 152) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047847 k( 153) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0047847 k( 154) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047847 k( 155) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047847 k( 156) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047847 k( 157) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047847 k( 158) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047847 k( 159) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047847 k( 160) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047847 k( 161) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047847 k( 162) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047847 k( 163) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047847 k( 164) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047847 k( 165) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047847 k( 166) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047847 k( 167) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047847 k( 168) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047847 k( 169) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047847 k( 170) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047847 k( 171) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0047847 k( 172) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047847 k( 173) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047847 k( 174) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047847 k( 175) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047847 k( 176) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047847 k( 177) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047847 k( 178) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047847 k( 179) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047847 k( 180) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047847 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 182) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 183) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047847 k( 184) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047847 k( 185) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047847 k( 186) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047847 k( 187) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047847 k( 188) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047847 k( 189) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047847 k( 190) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0047847 k( 191) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047847 k( 192) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047847 k( 193) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047847 k( 194) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047847 k( 195) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047847 k( 196) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047847 k( 197) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047847 k( 198) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047847 k( 199) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047847 k( 200) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047847 k( 201) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0047847 k( 202) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047847 k( 203) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047847 k( 204) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047847 k( 205) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047847 k( 206) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047847 k( 207) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047847 k( 208) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047847 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 Dense grid: 61445 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 442, 92) NL pseudopotentials 0.92 Mb ( 221, 272) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1709) G-vector shells 0.00 Mb ( 372) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.48 Mb ( 442, 368) Each subspace H/S matrix 0.13 Mb ( 92, 92) Each matrix 0.76 Mb ( 272, 2, 92) The potential is recalculated from file : ./Ag3P.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.2 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 17.1 secs Computing kpt #: 10 total cpu time spent up to now is 18.7 secs Computing kpt #: 11 total cpu time spent up to now is 20.3 secs Computing kpt #: 12 total cpu time spent up to now is 22.0 secs Computing kpt #: 13 total cpu time spent up to now is 23.6 secs Computing kpt #: 14 total cpu time spent up to now is 25.2 secs Computing kpt #: 15 total cpu time spent up to now is 26.8 secs Computing kpt #: 16 total cpu time spent up to now is 28.2 secs Computing kpt #: 17 total cpu time spent up to now is 29.6 secs Computing kpt #: 18 total cpu time spent up to now is 31.2 secs Computing kpt #: 19 total cpu time spent up to now is 32.6 secs Computing kpt #: 20 total cpu time spent up to now is 34.0 secs Computing kpt #: 21 total cpu time spent up to now is 35.4 secs Computing kpt #: 22 total cpu time spent up to now is 36.9 secs Computing kpt #: 23 total cpu time spent up to now is 38.3 secs Computing kpt #: 24 total cpu time spent up to now is 39.7 secs Computing kpt #: 25 total cpu time spent up to now is 41.2 secs Computing kpt #: 26 total cpu time spent up to now is 42.6 secs Computing kpt #: 27 total cpu time spent up to now is 44.2 secs Computing kpt #: 28 total cpu time spent up to now is 45.6 secs Computing kpt #: 29 total cpu time spent up to now is 46.9 secs Computing kpt #: 30 total cpu time spent up to now is 48.3 secs Computing kpt #: 31 total cpu time spent up to now is 49.7 secs Computing kpt #: 32 total cpu time spent up to now is 51.0 secs Computing kpt #: 33 total cpu time spent up to now is 52.3 secs Computing kpt #: 34 total cpu time spent up to now is 53.6 secs Computing kpt #: 35 total cpu time spent up to now is 54.9 secs Computing kpt #: 36 total cpu time spent up to now is 56.2 secs Computing kpt #: 37 total cpu time spent up to now is 57.5 secs Computing kpt #: 38 total cpu time spent up to now is 58.7 secs Computing kpt #: 39 total cpu time spent up to now is 60.0 secs Computing kpt #: 40 total cpu time spent up to now is 61.2 secs Computing kpt #: 41 total cpu time spent up to now is 62.5 secs Computing kpt #: 42 total cpu time spent up to now is 63.7 secs Computing kpt #: 43 total cpu time spent up to now is 64.9 secs Computing kpt #: 44 total cpu time spent up to now is 66.1 secs Computing kpt #: 45 total cpu time spent up to now is 67.3 secs Computing kpt #: 46 total cpu time spent up to now is 68.5 secs Computing kpt #: 47 total cpu time spent up to now is 69.8 secs Computing kpt #: 48 total cpu time spent up to now is 71.0 secs Computing kpt #: 49 total cpu time spent up to now is 72.3 secs Computing kpt #: 50 total cpu time spent up to now is 73.5 secs Computing kpt #: 51 total cpu time spent up to now is 74.7 secs Computing kpt #: 52 total cpu time spent up to now is 76.0 secs Computing kpt #: 53 total cpu time spent up to now is 77.3 secs Computing kpt #: 54 total cpu time spent up to now is 78.5 secs Computing kpt #: 55 total cpu time spent up to now is 79.7 secs Computing kpt #: 56 total cpu time spent up to now is 80.9 secs Computing kpt #: 57 total cpu time spent up to now is 82.1 secs Computing kpt #: 58 total cpu time spent up to now is 83.3 secs Computing kpt #: 59 total cpu time spent up to now is 84.5 secs Computing kpt #: 60 total cpu time spent up to now is 85.8 secs Computing kpt #: 61 total cpu time spent up to now is 87.0 secs Computing kpt #: 62 total cpu time spent up to now is 88.3 secs Computing kpt #: 63 total cpu time spent up to now is 89.5 secs Computing kpt #: 64 total cpu time spent up to now is 90.7 secs Computing kpt #: 65 total cpu time spent up to now is 91.9 secs Computing kpt #: 66 total cpu time spent up to now is 93.1 secs Computing kpt #: 67 total cpu time spent up to now is 94.3 secs Computing kpt #: 68 total cpu time spent up to now is 95.5 secs Computing kpt #: 69 total cpu time spent up to now is 96.7 secs Computing kpt #: 70 total cpu time spent up to now is 97.9 secs Computing kpt #: 71 total cpu time spent up to now is 99.1 secs Computing kpt #: 72 total cpu time spent up to now is 100.3 secs Computing kpt #: 73 total cpu time spent up to now is 101.6 secs Computing kpt #: 74 total cpu time spent up to now is 102.8 secs Computing kpt #: 75 total cpu time spent up to now is 104.0 secs Computing kpt #: 76 total cpu time spent up to now is 105.2 secs Computing kpt #: 77 total cpu time spent up to now is 106.4 secs Computing kpt #: 78 total cpu time spent up to now is 107.7 secs Computing kpt #: 79 total cpu time spent up to now is 108.9 secs Computing kpt #: 80 total cpu time spent up to now is 110.2 secs Computing kpt #: 81 total cpu time spent up to now is 111.5 secs Computing kpt #: 82 total cpu time spent up to now is 112.9 secs Computing kpt #: 83 total cpu time spent up to now is 114.5 secs Computing kpt #: 84 total cpu time spent up to now is 116.1 secs Computing kpt #: 85 total cpu time spent up to now is 117.7 secs Computing kpt #: 86 total cpu time spent up to now is 119.4 secs Computing kpt #: 87 total cpu time spent up to now is 121.0 secs Computing kpt #: 88 total cpu time spent up to now is 122.6 secs Computing kpt #: 89 total cpu time spent up to now is 124.2 secs Computing kpt #: 90 total cpu time spent up to now is 125.9 secs Computing kpt #: 91 total cpu time spent up to now is 127.5 secs Computing kpt #: 92 total cpu time spent up to now is 129.2 secs Computing kpt #: 93 total cpu time spent up to now is 130.8 secs Computing kpt #: 94 total cpu time spent up to now is 132.2 secs Computing kpt #: 95 total cpu time spent up to now is 133.6 secs Computing kpt #: 96 total cpu time spent up to now is 134.9 secs Computing kpt #: 97 total cpu time spent up to now is 136.6 secs Computing kpt #: 98 total cpu time spent up to now is 138.2 secs Computing kpt #: 99 total cpu time spent up to now is 139.8 secs Computing kpt #: 100 total cpu time spent up to now is 141.4 secs Computing kpt #: 101 total cpu time spent up to now is 143.1 secs Computing kpt #: 102 total cpu time spent up to now is 144.7 secs Computing kpt #: 103 total cpu time spent up to now is 146.4 secs Computing kpt #: 104 total cpu time spent up to now is 148.0 secs Computing kpt #: 105 total cpu time spent up to now is 149.7 secs Computing kpt #: 106 total cpu time spent up to now is 151.3 secs Computing kpt #: 107 total cpu time spent up to now is 152.9 secs Computing kpt #: 108 total cpu time spent up to now is 154.5 secs Computing kpt #: 109 total cpu time spent up to now is 156.2 secs Computing kpt #: 110 total cpu time spent up to now is 157.8 secs Computing kpt #: 111 total cpu time spent up to now is 159.2 secs Computing kpt #: 112 total cpu time spent up to now is 160.6 secs Computing kpt #: 113 total cpu time spent up to now is 162.0 secs Computing kpt #: 114 total cpu time spent up to now is 163.4 secs Computing kpt #: 115 total cpu time spent up to now is 164.8 secs Computing kpt #: 116 total cpu time spent up to now is 166.2 secs Computing kpt #: 117 total cpu time spent up to now is 167.6 secs Computing kpt #: 118 total cpu time spent up to now is 169.0 secs Computing kpt #: 119 total cpu time spent up to now is 170.3 secs Computing kpt #: 120 total cpu time spent up to now is 171.7 secs Computing kpt #: 121 total cpu time spent up to now is 173.0 secs Computing kpt #: 122 total cpu time spent up to now is 174.4 secs Computing kpt #: 123 total cpu time spent up to now is 176.0 secs Computing kpt #: 124 total cpu time spent up to now is 177.6 secs Computing kpt #: 125 total cpu time spent up to now is 179.2 secs Computing kpt #: 126 total cpu time spent up to now is 180.8 secs Computing kpt #: 127 total cpu time spent up to now is 182.4 secs Computing kpt #: 128 total cpu time spent up to now is 183.8 secs Computing kpt #: 129 total cpu time spent up to now is 185.1 secs Computing kpt #: 130 total cpu time spent up to now is 186.3 secs Computing kpt #: 131 total cpu time spent up to now is 187.6 secs Computing kpt #: 132 total cpu time spent up to now is 188.8 secs Computing kpt #: 133 total cpu time spent up to now is 190.0 secs Computing kpt #: 134 total cpu time spent up to now is 191.1 secs Computing kpt #: 135 total cpu time spent up to now is 192.3 secs Computing kpt #: 136 total cpu time spent up to now is 193.4 secs Computing kpt #: 137 total cpu time spent up to now is 194.6 secs Computing kpt #: 138 total cpu time spent up to now is 195.7 secs Computing kpt #: 139 total cpu time spent up to now is 196.8 secs Computing kpt #: 140 total cpu time spent up to now is 197.9 secs Computing kpt #: 141 total cpu time spent up to now is 199.1 secs Computing kpt #: 142 total cpu time spent up to now is 200.2 secs Computing kpt #: 143 total cpu time spent up to now is 201.3 secs Computing kpt #: 144 total cpu time spent up to now is 202.4 secs Computing kpt #: 145 total cpu time spent up to now is 203.5 secs Computing kpt #: 146 total cpu time spent up to now is 204.6 secs Computing kpt #: 147 total cpu time spent up to now is 205.8 secs Computing kpt #: 148 total cpu time spent up to now is 206.9 secs Computing kpt #: 149 total cpu time spent up to now is 208.1 secs Computing kpt #: 150 total cpu time spent up to now is 209.3 secs Computing kpt #: 151 total cpu time spent up to now is 210.4 secs Computing kpt #: 152 total cpu time spent up to now is 211.7 secs Computing kpt #: 153 total cpu time spent up to now is 212.9 secs Computing kpt #: 154 total cpu time spent up to now is 214.2 secs Computing kpt #: 155 total cpu time spent up to now is 215.5 secs Computing kpt #: 156 total cpu time spent up to now is 216.8 secs Computing kpt #: 157 total cpu time spent up to now is 218.2 secs Computing kpt #: 158 total cpu time spent up to now is 219.6 secs Computing kpt #: 159 total cpu time spent up to now is 221.2 secs Computing kpt #: 160 total cpu time spent up to now is 222.7 secs Computing kpt #: 161 total cpu time spent up to now is 224.1 secs Computing kpt #: 162 total cpu time spent up to now is 225.5 secs Computing kpt #: 163 total cpu time spent up to now is 226.8 secs Computing kpt #: 164 total cpu time spent up to now is 228.1 secs Computing kpt #: 165 total cpu time spent up to now is 229.4 secs Computing kpt #: 166 total cpu time spent up to now is 230.7 secs Computing kpt #: 167 total cpu time spent up to now is 232.0 secs Computing kpt #: 168 total cpu time spent up to now is 233.3 secs Computing kpt #: 169 total cpu time spent up to now is 234.5 secs Computing kpt #: 170 total cpu time spent up to now is 235.8 secs Computing kpt #: 171 total cpu time spent up to now is 237.1 secs Computing kpt #: 172 total cpu time spent up to now is 238.4 secs Computing kpt #: 173 total cpu time spent up to now is 239.7 secs Computing kpt #: 174 total cpu time spent up to now is 241.0 secs Computing kpt #: 175 total cpu time spent up to now is 242.3 secs Computing kpt #: 176 total cpu time spent up to now is 243.6 secs Computing kpt #: 177 total cpu time spent up to now is 244.9 secs Computing kpt #: 178 total cpu time spent up to now is 246.2 secs Computing kpt #: 179 total cpu time spent up to now is 247.6 secs Computing kpt #: 180 total cpu time spent up to now is 249.0 secs Computing kpt #: 181 total cpu time spent up to now is 250.3 secs Computing kpt #: 182 total cpu time spent up to now is 251.5 secs Computing kpt #: 183 total cpu time spent up to now is 252.7 secs Computing kpt #: 184 total cpu time spent up to now is 253.8 secs Computing kpt #: 185 total cpu time spent up to now is 255.1 secs Computing kpt #: 186 total cpu time spent up to now is 256.3 secs Computing kpt #: 187 total cpu time spent up to now is 257.6 secs Computing kpt #: 188 total cpu time spent up to now is 258.9 secs Computing kpt #: 189 total cpu time spent up to now is 260.5 secs Computing kpt #: 190 total cpu time spent up to now is 262.0 secs Computing kpt #: 191 total cpu time spent up to now is 263.7 secs Computing kpt #: 192 total cpu time spent up to now is 265.3 secs Computing kpt #: 193 total cpu time spent up to now is 266.9 secs Computing kpt #: 194 total cpu time spent up to now is 268.5 secs Computing kpt #: 195 total cpu time spent up to now is 269.9 secs Computing kpt #: 196 total cpu time spent up to now is 271.2 secs Computing kpt #: 197 total cpu time spent up to now is 272.5 secs Computing kpt #: 198 total cpu time spent up to now is 273.7 secs Computing kpt #: 199 total cpu time spent up to now is 274.9 secs Computing kpt #: 200 total cpu time spent up to now is 276.1 secs Computing kpt #: 201 total cpu time spent up to now is 277.3 secs Computing kpt #: 202 total cpu time spent up to now is 278.5 secs Computing kpt #: 203 total cpu time spent up to now is 279.6 secs Computing kpt #: 204 total cpu time spent up to now is 280.7 secs Computing kpt #: 205 total cpu time spent up to now is 281.9 secs Computing kpt #: 206 total cpu time spent up to now is 283.0 secs Computing kpt #: 207 total cpu time spent up to now is 284.1 secs Computing kpt #: 208 total cpu time spent up to now is 285.2 secs Computing kpt #: 209 total cpu time spent up to now is 286.3 secs ethr = 1.32E-08, avg # of iterations = 16.8 total cpu time spent up to now is 286.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7689 PWs) bands (ev): -3.6645 -3.6645 -3.3391 -3.3391 1.1083 1.1083 1.1083 1.1083 1.1197 1.1197 1.3341 1.3341 1.3343 1.3343 1.3343 1.3343 1.4415 1.4415 1.4415 1.4415 1.7001 1.7001 1.7809 1.7809 1.7915 1.7915 1.7915 1.7915 1.9764 1.9764 2.2973 2.2973 2.2973 2.2973 2.3659 2.3659 2.3659 2.3659 2.3893 2.3893 2.4026 2.4026 2.4884 2.4884 2.5151 2.5151 2.5260 2.5260 2.5260 2.5260 2.5371 2.5371 2.5371 2.5371 2.6760 2.6760 2.6760 2.6760 2.7842 2.7842 2.7962 2.7962 2.7962 2.7962 3.2397 3.2397 4.1043 4.1043 4.1043 4.1043 4.1532 4.1532 5.3201 5.3201 5.3201 5.3201 5.5453 5.5453 5.5453 5.5453 5.5486 5.5486 9.0457 9.0457 9.0457 9.0457 9.9672 9.9672 9.9994 9.9994 9.9994 9.9994 k = 0.0000 0.0185-0.0000 ( 7717 PWs) bands (ev): -3.6641 -3.6641 -3.3393 -3.3393 1.1082 1.1082 1.1089 1.1089 1.1199 1.1199 1.3344 1.3344 1.3345 1.3345 1.3349 1.3349 1.4414 1.4414 1.4419 1.4419 1.6998 1.6998 1.7791 1.7791 1.7915 1.7915 1.7935 1.7935 1.9757 1.9757 2.2969 2.2969 2.2969 2.2969 2.3655 2.3655 2.3658 2.3658 2.3872 2.3872 2.4026 2.4026 2.4874 2.4874 2.5079 2.5079 2.5200 2.5200 2.5252 2.5252 2.5394 2.5394 2.5498 2.5498 2.6757 2.6757 2.6760 2.6760 2.7842 2.7842 2.7961 2.7961 2.7964 2.7964 3.2396 3.2396 4.0983 4.0983 4.1050 4.1050 4.1511 4.1511 5.3184 5.3184 5.3329 5.3329 5.5441 5.5441 5.5458 5.5458 5.5510 5.5510 9.0264 9.0264 9.0492 9.0492 9.9585 9.9585 9.9809 9.9809 9.9920 9.9920 k = 0.0000 0.0370-0.0000 ( 7725 PWs) bands (ev): -3.6628 -3.6628 -3.3396 -3.3396 1.1079 1.1079 1.1102 1.1102 1.1212 1.1212 1.3351 1.3351 1.3356 1.3356 1.3368 1.3368 1.4412 1.4412 1.4429 1.4429 1.6992 1.6992 1.7758 1.7758 1.7914 1.7914 1.7977 1.7977 1.9734 1.9734 2.2958 2.2958 2.2958 2.2958 2.3648 2.3648 2.3659 2.3659 2.3811 2.3811 2.4028 2.4028 2.4854 2.4854 2.4909 2.4909 2.5189 2.5189 2.5238 2.5238 2.5447 2.5447 2.5669 2.5669 2.6753 2.6753 2.6761 2.6761 2.7839 2.7839 2.7958 2.7958 2.7968 2.7968 3.2395 3.2395 4.0775 4.0775 4.1071 4.1071 4.1487 4.1487 5.3138 5.3138 5.3703 5.3703 5.5402 5.5402 5.5427 5.5427 5.5620 5.5620 8.9719 8.9719 9.0596 9.0596 9.9210 9.9210 9.9442 9.9442 9.9695 9.9695 k = 0.0000 0.0556-0.0000 ( 7705 PWs) bands (ev): -3.6608 -3.6608 -3.3403 -3.3403 1.1075 1.1075 1.1103 1.1103 1.1256 1.1256 1.3361 1.3361 1.3375 1.3375 1.3401 1.3401 1.4409 1.4409 1.4446 1.4446 1.6983 1.6983 1.7725 1.7725 1.7914 1.7914 1.8024 1.8024 1.9698 1.9698 2.2941 2.2941 2.2942 2.2942 2.3632 2.3632 2.3661 2.3661 2.3708 2.3708 2.4031 2.4031 2.4729 2.4729 2.4840 2.4840 2.5188 2.5188 2.5226 2.5226 2.5509 2.5509 2.5833 2.5833 2.6747 2.6747 2.6766 2.6766 2.7834 2.7834 2.7957 2.7957 2.7977 2.7977 3.2393 3.2393 4.0411 4.0411 4.1106 4.1106 4.1498 4.1498 5.3078 5.3078 5.4290 5.4290 5.5339 5.5339 5.5370 5.5370 5.5797 5.5797 8.8901 8.8901 9.0768 9.0768 9.8486 9.8486 9.9048 9.9048 9.9321 9.9321 k = 0.0000 0.0741-0.0000 ( 7685 PWs) bands (ev): -3.6579 -3.6579 -3.3411 -3.3411 1.1070 1.1070 1.1085 1.1085 1.1335 1.1335 1.3374 1.3374 1.3402 1.3402 1.3445 1.3445 1.4405 1.4405 1.4471 1.4471 1.6972 1.6972 1.7697 1.7697 1.7913 1.7913 1.8070 1.8070 1.9647 1.9647 2.2917 2.2917 2.2918 2.2918 2.3543 2.3543 2.3630 2.3630 2.3664 2.3664 2.4032 2.4032 2.4550 2.4550 2.4840 2.4840 2.5188 2.5188 2.5216 2.5216 2.5572 2.5572 2.5984 2.5984 2.6738 2.6738 2.6778 2.6778 2.7823 2.7823 2.7957 2.7957 2.7989 2.7989 3.2387 3.2387 3.9927 3.9927 4.1154 4.1154 4.1543 4.1543 5.3019 5.3019 5.5037 5.5037 5.5269 5.5269 5.5290 5.5290 5.6022 5.6022 8.7896 8.7896 9.1006 9.1006 9.7580 9.7580 9.8545 9.8545 9.8815 9.8815 k = 0.0000 0.0926-0.0000 ( 7685 PWs) bands (ev): -3.6543 -3.6543 -3.3423 -3.3423 1.1054 1.1054 1.1063 1.1063 1.1444 1.1444 1.3391 1.3391 1.3436 1.3436 1.3501 1.3501 1.4400 1.4400 1.4502 1.4502 1.6960 1.6960 1.7675 1.7675 1.7911 1.7911 1.8113 1.8113 1.9583 1.9583 2.2885 2.2885 2.2891 2.2891 2.3358 2.3358 2.3605 2.3605 2.3667 2.3667 2.4025 2.4025 2.4383 2.4383 2.4855 2.4855 2.5188 2.5188 2.5204 2.5204 2.5628 2.5628 2.6111 2.6111 2.6726 2.6726 2.6803 2.6803 2.7806 2.7806 2.7962 2.7962 2.8006 2.8006 3.2378 3.2378 3.9366 3.9366 4.1217 4.1217 4.1613 4.1613 5.2975 5.2975 5.5124 5.5124 5.5187 5.5187 5.5973 5.5973 5.6284 5.6284 8.6771 8.6771 9.1309 9.1309 9.6560 9.6560 9.7962 9.7962 9.8219 9.8219 k = 0.0000 0.1111-0.0000 ( 7701 PWs) bands (ev): -3.6499 -3.6499 -3.3437 -3.3437 1.1014 1.1014 1.1053 1.1053 1.1580 1.1580 1.3412 1.3412 1.3476 1.3476 1.3569 1.3569 1.4393 1.4393 1.4541 1.4541 1.6950 1.6950 1.7660 1.7660 1.7909 1.7909 1.8153 1.8153 1.9506 1.9506 2.2846 2.2846 2.2859 2.2859 2.3137 2.3137 2.3580 2.3580 2.3669 2.3669 2.3992 2.3992 2.4246 2.4246 2.4881 2.4881 2.5187 2.5187 2.5192 2.5192 2.5676 2.5676 2.6206 2.6206 2.6711 2.6711 2.6847 2.6847 2.7783 2.7783 2.7970 2.7970 2.8028 2.8028 3.2362 3.2362 3.8761 3.8761 4.1293 4.1293 4.1704 4.1704 5.2957 5.2957 5.4988 5.4988 5.5063 5.5063 5.6573 5.6573 5.6984 5.6984 8.5575 8.5575 9.1672 9.1672 9.5469 9.5469 9.7340 9.7340 9.7580 9.7580 k = 0.0000 0.1296-0.0000 ( 7693 PWs) bands (ev): -3.6448 -3.6448 -3.3454 -3.3454 1.0967 1.0967 1.1042 1.1042 1.1739 1.1739 1.3435 1.3435 1.3523 1.3523 1.3647 1.3647 1.4387 1.4387 1.4587 1.4587 1.6943 1.6943 1.7651 1.7651 1.7906 1.7906 1.8188 1.8188 1.9416 1.9416 2.2800 2.2800 2.2824 2.2824 2.2893 2.2893 2.3552 2.3552 2.3672 2.3672 2.3903 2.3903 2.4173 2.4173 2.4909 2.4909 2.5183 2.5183 2.5187 2.5187 2.5717 2.5717 2.6265 2.6265 2.6693 2.6693 2.6913 2.6913 2.7756 2.7756 2.7982 2.7982 2.8058 2.8058 3.2339 3.2339 3.8134 3.8134 4.1382 4.1382 4.1812 4.1812 5.2974 5.2974 5.4827 5.4827 5.4917 5.4917 5.6885 5.6885 5.8081 5.8081 8.4343 8.4343 9.2091 9.2091 9.4340 9.4340 9.6710 9.6710 9.6931 9.6931 k = 0.0000 0.1481-0.0000 ( 7701 PWs) bands (ev): -3.6390 -3.6390 -3.3474 -3.3474 1.0914 1.0914 1.1029 1.1029 1.1921 1.1921 1.3461 1.3461 1.3575 1.3575 1.3734 1.3734 1.4382 1.4382 1.4640 1.4640 1.6942 1.6942 1.7648 1.7648 1.7902 1.7902 1.8219 1.8219 1.9314 1.9314 2.2631 2.2631 2.2747 2.2747 2.2787 2.2787 2.3519 2.3519 2.3672 2.3672 2.3771 2.3771 2.4150 2.4150 2.4932 2.4932 2.5177 2.5177 2.5186 2.5186 2.5749 2.5749 2.6291 2.6291 2.6672 2.6672 2.6995 2.6995 2.7726 2.7726 2.7997 2.7997 2.8096 2.8096 3.2306 3.2306 3.7501 3.7501 4.1485 4.1485 4.1937 4.1937 5.3034 5.3034 5.4643 5.4643 5.4752 5.4752 5.7214 5.7214 5.9241 5.9241 8.3097 8.3097 9.2560 9.2560 9.3197 9.3197 9.6091 9.6091 9.6297 9.6297 k = 0.0000 0.1667-0.0000 ( 7705 PWs) bands (ev): -3.6325 -3.6325 -3.3498 -3.3498 1.0855 1.0855 1.1013 1.1013 1.2125 1.2125 1.3489 1.3489 1.3631 1.3631 1.3829 1.3829 1.4377 1.4377 1.4701 1.4701 1.6947 1.6947 1.7648 1.7648 1.7898 1.7898 1.8244 1.8244 1.9201 1.9201 2.2360 2.2360 2.2685 2.2685 2.2746 2.2746 2.3484 2.3484 2.3622 2.3622 2.3680 2.3680 2.4145 2.4145 2.4942 2.4942 2.5180 2.5180 2.5184 2.5184 2.5772 2.5772 2.6293 2.6293 2.6649 2.6649 2.7083 2.7083 2.7693 2.7693 2.8017 2.8017 2.8144 2.8144 3.2264 3.2264 3.6875 3.6875 4.1600 4.1600 4.2077 4.2077 5.3141 5.3141 5.4438 5.4438 5.4567 5.4567 5.7558 5.7558 6.0445 6.0445 8.1853 8.1853 9.2060 9.2060 9.3070 9.3070 9.5497 9.5497 9.5696 9.5696 k = 0.0000 0.1852-0.0000 ( 7705 PWs) bands (ev): -3.6254 -3.6254 -3.3524 -3.3524 1.0793 1.0793 1.0995 1.0995 1.2348 1.2348 1.3519 1.3519 1.3691 1.3691 1.3931 1.3931 1.4375 1.4375 1.4770 1.4770 1.6960 1.6960 1.7652 1.7652 1.7893 1.7893 1.8266 1.8266 1.9077 1.9077 2.2086 2.2086 2.2615 2.2615 2.2702 2.2702 2.3447 2.3447 2.3487 2.3487 2.3677 2.3677 2.4144 2.4144 2.4933 2.4933 2.5181 2.5181 2.5191 2.5191 2.5787 2.5787 2.6280 2.6280 2.6621 2.6621 2.7166 2.7166 2.7660 2.7660 2.8040 2.8040 2.8203 2.8203 3.2210 3.2210 3.6265 3.6265 4.1729 4.1729 4.2231 4.2231 5.3299 5.3299 5.4213 5.4213 5.4365 5.4365 5.7916 5.7916 6.1676 6.1676 8.0620 8.0620 9.0945 9.0945 9.3593 9.3593 9.4935 9.4935 9.5158 9.5158 k = 0.0000 0.2037-0.0000 ( 7697 PWs) bands (ev): -3.6177 -3.6177 -3.3554 -3.3554 1.0727 1.0727 1.0974 1.0974 1.2591 1.2591 1.3551 1.3551 1.3754 1.3754 1.4040 1.4040 1.4378 1.4378 1.4845 1.4845 1.6980 1.6980 1.7659 1.7659 1.7888 1.7888 1.8284 1.8284 1.8942 1.8942 2.1815 2.1815 2.2536 2.2536 2.2655 2.2655 2.3360 2.3360 2.3407 2.3407 2.3675 2.3675 2.4143 2.4143 2.4906 2.4906 2.5177 2.5177 2.5208 2.5208 2.5793 2.5793 2.6257 2.6257 2.6590 2.6590 2.7239 2.7239 2.7625 2.7625 2.8069 2.8069 2.8273 2.8273 3.2146 3.2146 3.5676 3.5676 4.1870 4.1870 4.2396 4.2396 5.3508 5.3508 5.3970 5.3970 5.4149 5.4149 5.8286 5.8286 6.2917 6.2917 7.9408 7.9408 8.9869 8.9869 9.3994 9.3994 9.4411 9.4411 9.4818 9.4818 k = 0.0000 0.2222-0.0000 ( 7681 PWs) bands (ev): -3.6095 -3.6095 -3.3588 -3.3588 1.0661 1.0661 1.0951 1.0951 1.2848 1.2848 1.3584 1.3584 1.3817 1.3817 1.4153 1.4153 1.4385 1.4385 1.4928 1.4928 1.7008 1.7008 1.7667 1.7667 1.7881 1.7881 1.8299 1.8299 1.8797 1.8797 2.1553 2.1553 2.2452 2.2452 2.2604 2.2604 2.3245 2.3245 2.3365 2.3365 2.3671 2.3671 2.4141 2.4141 2.4867 2.4867 2.5173 2.5173 2.5224 2.5224 2.5790 2.5790 2.6229 2.6229 2.6556 2.6556 2.7298 2.7298 2.7589 2.7589 2.8105 2.8105 2.8352 2.8352 3.2070 3.2070 3.5113 3.5113 4.2022 4.2022 4.2573 4.2573 5.3711 5.3711 5.3742 5.3742 5.3949 5.3949 5.8669 5.8669 6.4146 6.4146 7.8222 7.8222 8.8851 8.8851 9.3847 9.3847 9.3927 9.3927 9.5094 9.5094 k = 0.0000 0.2407-0.0000 ( 7688 PWs) bands (ev): -3.6007 -3.6007 -3.3625 -3.3625 1.0594 1.0594 1.0924 1.0924 1.3116 1.3116 1.3620 1.3620 1.3880 1.3880 1.4269 1.4269 1.4399 1.4399 1.5015 1.5015 1.7042 1.7042 1.7674 1.7674 1.7873 1.7873 1.8312 1.8312 1.8643 1.8643 2.1305 2.1305 2.2362 2.2362 2.2549 2.2549 2.3142 2.3142 2.3320 2.3320 2.3664 2.3664 2.4136 2.4136 2.4819 2.4819 2.5167 2.5167 2.5237 2.5237 2.5774 2.5774 2.6198 2.6198 2.6517 2.6517 2.7344 2.7344 2.7550 2.7550 2.8149 2.8149 2.8438 2.8438 3.1986 3.1986 3.4581 3.4581 4.2187 4.2187 4.2759 4.2759 5.3437 5.3437 5.3636 5.3636 5.4131 5.4131 5.9065 5.9065 6.5339 6.5339 7.7068 7.7068 8.7911 8.7911 9.3456 9.3456 9.3487 9.3487 9.5677 9.5677 k = 0.0000 0.2593-0.0000 ( 7688 PWs) bands (ev): -3.5916 -3.5916 -3.3666 -3.3666 1.0529 1.0529 1.0894 1.0894 1.3382 1.3382 1.3666 1.3666 1.3941 1.3941 1.4388 1.4388 1.4423 1.4423 1.5105 1.5105 1.7082 1.7082 1.7682 1.7682 1.7864 1.7864 1.8323 1.8323 1.8484 1.8484 2.1076 2.1076 2.2272 2.2272 2.2489 2.2489 2.3050 2.3050 2.3275 2.3275 2.3653 2.3653 2.4128 2.4128 2.4762 2.4762 2.5161 2.5161 2.5245 2.5245 2.5743 2.5743 2.6166 2.6166 2.6474 2.6474 2.7377 2.7377 2.7510 2.7510 2.8201 2.8201 2.8527 2.8527 3.1894 3.1894 3.4083 3.4083 4.2363 4.2363 4.2954 4.2954 5.3153 5.3153 5.3383 5.3383 5.4503 5.4503 5.9475 5.9475 6.6466 6.6466 7.5950 7.5950 8.7079 8.7079 9.3063 9.3063 9.3091 9.3091 9.6299 9.6299 k = 0.0000 0.2778-0.0000 ( 7684 PWs) bands (ev): -3.5820 -3.5820 -3.3711 -3.3711 1.0468 1.0468 1.0861 1.0861 1.3593 1.3593 1.3769 1.3769 1.3999 1.3999 1.4462 1.4462 1.4509 1.4509 1.5196 1.5196 1.7127 1.7127 1.7689 1.7689 1.7854 1.7854 1.8323 1.8323 1.8334 1.8334 2.0867 2.0867 2.2184 2.2184 2.2424 2.2424 2.2966 2.2966 2.3228 2.3228 2.3637 2.3637 2.4119 2.4119 2.4701 2.4701 2.5154 2.5154 2.5247 2.5247 2.5694 2.5694 2.6135 2.6135 2.6429 2.6429 2.7400 2.7400 2.7469 2.7469 2.8261 2.8261 2.8617 2.8617 3.1796 3.1796 3.3622 3.3622 4.2549 4.2549 4.3154 4.3154 5.2860 5.2860 5.3115 5.3115 5.4935 5.4935 5.9900 5.9900 6.7485 6.7485 7.4875 7.4875 8.6389 8.6389 9.2703 9.2703 9.2739 9.2739 9.5912 9.5912 k = 0.0000 0.2963-0.0000 ( 7696 PWs) bands (ev): -3.5721 -3.5721 -3.3761 -3.3761 1.0411 1.0411 1.0824 1.0824 1.3674 1.3674 1.3987 1.3987 1.4052 1.4052 1.4527 1.4527 1.4630 1.4630 1.5282 1.5282 1.7175 1.7175 1.7694 1.7694 1.7840 1.7840 1.8167 1.8167 1.8345 1.8345 2.0680 2.0680 2.2103 2.2103 2.2355 2.2355 2.2888 2.2888 2.3180 2.3180 2.3614 2.3614 2.4108 2.4108 2.4636 2.4636 2.5147 2.5147 2.5241 2.5241 2.5622 2.5622 2.6107 2.6107 2.6383 2.6383 2.7414 2.7414 2.7429 2.7429 2.8327 2.8327 2.8703 2.8703 3.1696 3.1696 3.3200 3.3200 4.2745 4.2745 4.3359 4.3359 5.2563 5.2563 5.2838 5.2838 5.5420 5.5420 6.0341 6.0341 6.8342 6.8342 7.3853 7.3853 8.5884 8.5884 9.2383 9.2383 9.2432 9.2432 9.5472 9.5472 k = 0.0000 0.3148-0.0000 ( 7704 PWs) bands (ev): -3.5620 -3.5620 -3.3814 -3.3814 1.0359 1.0359 1.0784 1.0784 1.3717 1.3717 1.4099 1.4099 1.4196 1.4196 1.4644 1.4644 1.4751 1.4751 1.5359 1.5359 1.7226 1.7226 1.7699 1.7699 1.7820 1.7820 1.8028 1.8028 1.8358 1.8358 2.0515 2.0515 2.2034 2.2034 2.2282 2.2282 2.2814 2.2814 2.3132 2.3132 2.3585 2.3585 2.4098 2.4098 2.4568 2.4568 2.5139 2.5139 2.5228 2.5228 2.5527 2.5527 2.6082 2.6082 2.6338 2.6338 2.7391 2.7391 2.7420 2.7420 2.8400 2.8400 2.8784 2.8784 3.1595 3.1595 3.2819 3.2819 4.2948 4.2948 4.3565 4.3565 5.2263 5.2263 5.2556 5.2556 5.5954 5.5954 6.0799 6.0799 6.8970 6.8970 7.2903 7.2903 8.5611 8.5611 9.2106 9.2106 9.2169 9.2169 9.5046 9.5046 k = 0.0000 0.3333-0.0000 ( 7712 PWs) bands (ev): -3.5516 -3.5516 -3.3872 -3.3872 1.0315 1.0315 1.0741 1.0741 1.3755 1.3755 1.4139 1.4139 1.4337 1.4337 1.4837 1.4837 1.4871 1.4871 1.5421 1.5421 1.7280 1.7280 1.7702 1.7702 1.7780 1.7780 1.7927 1.7927 1.8372 1.8372 2.0369 2.0369 2.1980 2.1980 2.2207 2.2207 2.2741 2.2741 2.3082 2.3082 2.3549 2.3549 2.4090 2.4090 2.4499 2.4499 2.5132 2.5132 2.5199 2.5199 2.5415 2.5415 2.6061 2.6061 2.6297 2.6297 2.7357 2.7357 2.7420 2.7420 2.8476 2.8476 2.8857 2.8857 3.1497 3.1497 3.2481 3.2481 4.3159 4.3159 4.3769 4.3769 5.1966 5.1966 5.2272 5.2272 5.6534 5.6534 6.1276 6.1276 6.9287 6.9287 7.2065 7.2065 8.5612 8.5612 9.1873 9.1873 9.1950 9.1950 9.4639 9.4639 k = 0.0000 0.3519-0.0000 ( 7704 PWs) bands (ev): -3.5411 -3.5411 -3.3934 -3.3934 1.0279 1.0279 1.0697 1.0697 1.3791 1.3791 1.4172 1.4172 1.4426 1.4426 1.4987 1.4987 1.5076 1.5076 1.5464 1.5464 1.7337 1.7337 1.7706 1.7706 1.7715 1.7715 1.7877 1.7877 1.8392 1.8392 2.0239 2.0239 2.1944 2.1944 2.2132 2.2132 2.2668 2.2668 2.3032 2.3032 2.3509 2.3509 2.4086 2.4086 2.4429 2.4429 2.5125 2.5125 2.5127 2.5127 2.5319 2.5319 2.6045 2.6045 2.6260 2.6260 2.7329 2.7329 2.7416 2.7416 2.8553 2.8553 2.8921 2.8921 3.1404 3.1404 3.2184 3.2184 4.3373 4.3373 4.3969 4.3969 5.1678 5.1678 5.1990 5.1990 5.7154 5.7154 6.1773 6.1773 6.9208 6.9208 7.1396 7.1396 8.5909 8.5909 9.1682 9.1682 9.1772 9.1772 9.4253 9.4253 k = 0.0000 0.3704-0.0000 ( 7692 PWs) bands (ev): -3.5305 -3.5305 -3.4001 -3.4001 1.0251 1.0251 1.0649 1.0649 1.3829 1.3829 1.4197 1.4197 1.4494 1.4494 1.5094 1.5094 1.5318 1.5318 1.5489 1.5489 1.7398 1.7398 1.7652 1.7652 1.7710 1.7710 1.7856 1.7856 1.8418 1.8418 2.0120 2.0120 2.1930 2.1930 2.2060 2.2060 2.2593 2.2593 2.2981 2.2981 2.3467 2.3467 2.4085 2.4085 2.4357 2.4357 2.4983 2.4983 2.5123 2.5123 2.5268 2.5268 2.6034 2.6034 2.6226 2.6226 2.7307 2.7307 2.7408 2.7408 2.8631 2.8631 2.8975 2.8975 3.1319 3.1319 3.1929 3.1929 4.3589 4.3589 4.4160 4.4160 5.1402 5.1402 5.1715 5.1715 5.7812 5.7812 6.2293 6.2293 6.8748 6.8748 7.0887 7.0887 8.6495 8.6495 9.1532 9.1532 9.1635 9.1635 9.3892 9.3892 k = 0.0000 0.3889-0.0000 ( 7700 PWs) bands (ev): -3.5199 -3.5199 -3.4072 -3.4072 1.0233 1.0233 1.0599 1.0599 1.3868 1.3868 1.4212 1.4212 1.4555 1.4555 1.5179 1.5179 1.5506 1.5506 1.5537 1.5537 1.7464 1.7464 1.7613 1.7613 1.7715 1.7715 1.7843 1.7843 1.8454 1.8454 2.0008 2.0008 2.1939 2.1939 2.1994 2.1994 2.2512 2.2512 2.2927 2.2927 2.3428 2.3428 2.4088 2.4088 2.4278 2.4278 2.4806 2.4806 2.5120 2.5120 2.5240 2.5240 2.6027 2.6027 2.6196 2.6196 2.7292 2.7292 2.7397 2.7397 2.8707 2.8707 2.9017 2.9017 3.1244 3.1244 3.1713 3.1713 4.3804 4.3804 4.4335 4.4335 5.1146 5.1146 5.1450 5.1450 5.8503 5.8503 6.2837 6.2837 6.8054 6.8054 7.0419 7.0419 8.7335 8.7335 9.1423 9.1423 9.1535 9.1535 9.3560 9.3560 k = 0.0000 0.4074-0.0000 ( 7688 PWs) bands (ev): -3.5093 -3.5093 -3.4147 -3.4147 1.0224 1.0224 1.0549 1.0549 1.3908 1.3908 1.4218 1.4218 1.4615 1.4615 1.5220 1.5220 1.5540 1.5540 1.5717 1.5717 1.7535 1.7535 1.7600 1.7600 1.7721 1.7721 1.7834 1.7834 1.8508 1.8508 1.9896 1.9896 2.1940 2.1940 2.1971 2.1971 2.2427 2.2427 2.2869 2.2869 2.3397 2.3397 2.4096 2.4096 2.4184 2.4184 2.4629 2.4629 2.5120 2.5120 2.5220 2.5220 2.6025 2.6025 2.6169 2.6169 2.7282 2.7282 2.7383 2.7383 2.8779 2.8779 2.9049 2.9049 3.1180 3.1180 3.1535 3.1535 4.4011 4.4011 4.4491 4.4491 5.0917 5.0917 5.1202 5.1202 5.9223 5.9223 6.3405 6.3405 6.7263 6.7263 6.9901 6.9901 8.8377 8.8377 9.1351 9.1351 9.1469 9.1469 9.3262 9.3262 k = 0.0000 0.4259-0.0000 ( 7696 PWs) bands (ev): -3.4987 -3.4987 -3.4227 -3.4227 1.0225 1.0225 1.0497 1.0497 1.3950 1.3950 1.4215 1.4215 1.4675 1.4675 1.5207 1.5207 1.5604 1.5604 1.5847 1.5847 1.7606 1.7606 1.7607 1.7607 1.7726 1.7726 1.7826 1.7826 1.8588 1.8588 1.9777 1.9777 2.1902 2.1902 2.2024 2.2024 2.2340 2.2340 2.2806 2.2806 2.3377 2.3377 2.4063 2.4063 2.4108 2.4108 2.4479 2.4479 2.5122 2.5122 2.5203 2.5203 2.6027 2.6027 2.6144 2.6144 2.7278 2.7278 2.7368 2.7368 2.8846 2.8846 2.9069 2.9069 3.1130 3.1130 3.1389 3.1389 4.4207 4.4207 4.4619 4.4619 5.0724 5.0724 5.0975 5.0975 5.9968 5.9968 6.3999 6.3999 6.6438 6.6438 6.9314 6.9314 8.9566 8.9566 9.1314 9.1314 9.1433 9.1433 9.3005 9.3005 k = 0.0000 0.4444-0.0000 ( 7692 PWs) bands (ev): -3.4883 -3.4883 -3.4310 -3.4310 1.0235 1.0235 1.0447 1.0447 1.3993 1.3993 1.4202 1.4202 1.4738 1.4738 1.5157 1.5157 1.5688 1.5688 1.5925 1.5925 1.7627 1.7627 1.7670 1.7670 1.7729 1.7729 1.7818 1.7818 1.8698 1.8698 1.9647 1.9647 2.1885 2.1885 2.2087 2.2087 2.2263 2.2263 2.2735 2.2735 2.3374 2.3374 2.3915 2.3915 2.4124 2.4124 2.4372 2.4372 2.5126 2.5126 2.5188 2.5188 2.6032 2.6032 2.6122 2.6122 2.7279 2.7279 2.7352 2.7352 2.8906 2.8906 2.9077 2.9077 3.1095 3.1095 3.1275 3.1275 4.4385 4.4385 4.4712 4.4712 5.0573 5.0573 5.0778 5.0778 6.0734 6.0734 6.4619 6.4619 6.5603 6.5603 6.8673 6.8673 9.0844 9.0844 9.1307 9.1307 9.1419 9.1419 9.2802 9.2802 k = 0.0000 0.4630-0.0000 ( 7676 PWs) bands (ev): -3.4781 -3.4781 -3.4398 -3.4398 1.0254 1.0254 1.0399 1.0399 1.4037 1.4037 1.4182 1.4182 1.4803 1.4803 1.5090 1.5090 1.5773 1.5773 1.5957 1.5957 1.7653 1.7653 1.7717 1.7717 1.7731 1.7731 1.7809 1.7809 1.8838 1.8838 1.9502 1.9502 2.1892 2.1892 2.2099 2.2099 2.2258 2.2258 2.2653 2.2653 2.3392 2.3392 2.3760 2.3760 2.4145 2.4145 2.4299 2.4299 2.5132 2.5132 2.5173 2.5173 2.6041 2.6041 2.6102 2.6102 2.7285 2.7285 2.7336 2.7336 2.8959 2.8959 2.9075 2.9075 3.1075 3.1075 3.1189 3.1189 4.4537 4.4537 4.4766 4.4766 5.0471 5.0471 5.0618 5.0618 6.1517 6.1517 6.4770 6.4770 6.5264 6.5264 6.7997 6.7997 9.1323 9.1323 9.1411 9.1411 9.2110 9.2110 9.2726 9.2726 k = 0.0000 0.4815-0.0000 ( 7672 PWs) bands (ev): -3.4681 -3.4681 -3.4489 -3.4489 1.0281 1.0281 1.0355 1.0355 1.4079 1.4079 1.4153 1.4153 1.4871 1.4871 1.5016 1.5016 1.5850 1.5850 1.5949 1.5949 1.7680 1.7680 1.7717 1.7717 1.7758 1.7758 1.7798 1.7798 1.9000 1.9000 1.9343 1.9343 2.1922 2.1922 2.2038 2.2038 2.2345 2.2345 2.2558 2.2558 2.3438 2.3438 2.3622 2.3622 2.4172 2.4172 2.4245 2.4245 2.5140 2.5140 2.5161 2.5161 2.6053 2.6053 2.6083 2.6083 2.7294 2.7294 2.7320 2.7320 2.9002 2.9002 2.9061 2.9061 3.1073 3.1073 3.1128 3.1128 4.4657 4.4657 4.4775 4.4775 5.0425 5.0425 5.0501 5.0501 6.2314 6.2314 6.3942 6.3942 6.5930 6.5930 6.7306 6.7306 9.1353 9.1353 9.1404 9.1404 9.2482 9.2482 9.2591 9.2591 k = 0.0000 0.5000-0.0000 ( 7672 PWs) bands (ev): -3.4583 -3.4583 -3.4583 -3.4583 1.0315 1.0315 1.0315 1.0315 1.4118 1.4118 1.4118 1.4118 1.4943 1.4943 1.4943 1.4943 1.5911 1.5911 1.5911 1.5911 1.7702 1.7702 1.7702 1.7702 1.7782 1.7782 1.7782 1.7782 1.9172 1.9172 1.9172 1.9172 2.1973 2.1973 2.1973 2.1973 2.2452 2.2452 2.2452 2.2452 2.3513 2.3513 2.3513 2.3513 2.4204 2.4204 2.4204 2.4204 2.5149 2.5149 2.5149 2.5149 2.6067 2.6067 2.6067 2.6067 2.7306 2.7306 2.7306 2.7306 2.9037 2.9037 2.9037 2.9037 3.1090 3.1090 3.1090 3.1090 4.4738 4.4738 4.4738 4.4738 5.0436 5.0436 5.0436 5.0436 6.3123 6.3123 6.3123 6.3123 6.6613 6.6613 6.6613 6.6613 9.1384 9.1384 9.1384 9.1384 9.2507 9.2507 9.2507 9.2507 k = 0.0000 0.5000-0.0000 ( 7672 PWs) bands (ev): -3.4583 -3.4583 -3.4583 -3.4583 1.0315 1.0315 1.0315 1.0315 1.4118 1.4118 1.4118 1.4118 1.4943 1.4943 1.4943 1.4943 1.5911 1.5911 1.5911 1.5911 1.7702 1.7702 1.7702 1.7702 1.7782 1.7782 1.7782 1.7782 1.9172 1.9172 1.9172 1.9172 2.1973 2.1973 2.1973 2.1973 2.2452 2.2452 2.2452 2.2452 2.3513 2.3513 2.3513 2.3513 2.4204 2.4204 2.4204 2.4204 2.5149 2.5149 2.5149 2.5149 2.6067 2.6067 2.6067 2.6067 2.7306 2.7306 2.7306 2.7306 2.9037 2.9037 2.9037 2.9037 3.1090 3.1090 3.1090 3.1090 4.4738 4.4738 4.4738 4.4738 5.0436 5.0436 5.0436 5.0436 6.3123 6.3123 6.3123 6.3123 6.6613 6.6613 6.6613 6.6613 9.1384 9.1384 9.1384 9.1384 9.2507 9.2507 9.2507 9.2507 k = 0.0185 0.5000-0.0000 ( 7672 PWs) bands (ev): -3.4582 -3.4582 -3.4582 -3.4582 1.0315 1.0315 1.0328 1.0328 1.4116 1.4116 1.4126 1.4126 1.4940 1.4940 1.4950 1.4950 1.5903 1.5903 1.5921 1.5921 1.7678 1.7678 1.7703 1.7703 1.7784 1.7784 1.7798 1.7798 1.9139 1.9139 1.9207 1.9207 2.1921 2.1921 2.2021 2.2021 2.2359 2.2359 2.2547 2.2547 2.3471 2.3471 2.3556 2.3556 2.4169 2.4169 2.4237 2.4237 2.5140 2.5140 2.5155 2.5155 2.6023 2.6023 2.6108 2.6108 2.7288 2.7288 2.7316 2.7316 2.9017 2.9017 2.9045 2.9045 3.1070 3.1070 3.1101 3.1101 4.4703 4.4703 4.4753 4.4753 5.0403 5.0403 5.0439 5.0439 6.3161 6.3161 6.3207 6.3207 6.6572 6.6572 6.6603 6.6603 9.1151 9.1151 9.1349 9.1349 9.2250 9.2250 9.2490 9.2490 k = 0.0370 0.5000-0.0000 ( 7682 PWs) bands (ev): -3.4578 -3.4578 -3.4577 -3.4577 1.0314 1.0314 1.0366 1.0366 1.4119 1.4119 1.4141 1.4141 1.4942 1.4942 1.4962 1.4962 1.5897 1.5897 1.5933 1.5933 1.7639 1.7639 1.7687 1.7687 1.7789 1.7789 1.7829 1.7829 1.9108 1.9108 1.9243 1.9243 2.1865 2.1865 2.2067 2.2067 2.2269 2.2269 2.2640 2.2640 2.3429 2.3429 2.3599 2.3599 2.4130 2.4130 2.4265 2.4265 2.5126 2.5126 2.5159 2.5159 2.5974 2.5974 2.6145 2.6145 2.7262 2.7262 2.7318 2.7318 2.8984 2.8984 2.9043 2.9043 3.1039 3.1039 3.1100 3.1100 4.4602 4.4602 4.4797 4.4797 5.0329 5.0329 5.0428 5.0428 6.3267 6.3267 6.3449 6.3449 6.6450 6.6450 6.6579 6.6579 9.0615 9.0615 9.1234 9.1234 9.1758 9.1758 9.2346 9.2346 k = 0.0556 0.5000-0.0000 ( 7682 PWs) bands (ev): -3.4570 -3.4570 -3.4570 -3.4570 1.0314 1.0314 1.0431 1.0431 1.4125 1.4125 1.4164 1.4164 1.4948 1.4948 1.4979 1.4979 1.5892 1.5892 1.5949 1.5949 1.7594 1.7594 1.7663 1.7663 1.7794 1.7794 1.7863 1.7863 1.9079 1.9079 1.9281 1.9281 2.1805 2.1805 2.2111 2.2111 2.2186 2.2186 2.2729 2.2729 2.3387 2.3387 2.3642 2.3642 2.4089 2.4089 2.4290 2.4290 2.5107 2.5107 2.5161 2.5161 2.5922 2.5922 2.6180 2.6180 2.7227 2.7227 2.7311 2.7311 2.8935 2.8935 2.9034 2.9034 3.0998 3.0998 3.1088 3.1088 4.4444 4.4444 4.4869 4.4869 5.0214 5.0214 5.0408 5.0408 6.3410 6.3410 6.3840 6.3840 6.6254 6.6254 6.6569 6.6569 8.9975 8.9975 9.1040 9.1040 9.1214 9.1214 9.2108 9.2108 k = 0.0741 0.5000-0.0000 ( 7680 PWs) bands (ev): -3.4560 -3.4560 -3.4560 -3.4560 1.0314 1.0314 1.0521 1.0521 1.4134 1.4134 1.4197 1.4197 1.4958 1.4958 1.5001 1.5001 1.5888 1.5888 1.5967 1.5967 1.7545 1.7545 1.7633 1.7633 1.7799 1.7799 1.7898 1.7898 1.9052 1.9052 1.9319 1.9319 2.1741 2.1741 2.2108 2.2108 2.2155 2.2155 2.2814 2.2814 2.3345 2.3345 2.3684 2.3684 2.4046 2.4046 2.4311 2.4311 2.5083 2.5083 2.5162 2.5162 2.5865 2.5865 2.6212 2.6212 2.7183 2.7183 2.7297 2.7297 2.8871 2.8871 2.9019 2.9019 3.0947 3.0947 3.1064 3.1064 4.4243 4.4243 4.4969 4.4969 5.0067 5.0067 5.0380 5.0380 6.3533 6.3533 6.4354 6.4354 6.5997 6.5997 6.6622 6.6622 8.9327 8.9327 9.0640 9.0640 9.0829 9.0829 9.1790 9.1790 k = 0.0926 0.5000-0.0000 ( 7688 PWs) bands (ev): -3.4547 -3.4547 -3.4547 -3.4547 1.0313 1.0313 1.0637 1.0637 1.4145 1.4145 1.4237 1.4237 1.4969 1.4969 1.5028 1.5028 1.5885 1.5885 1.5989 1.5989 1.7493 1.7493 1.7598 1.7598 1.7802 1.7802 1.7933 1.7933 1.9027 1.9027 1.9358 1.9358 2.1674 2.1674 2.2039 2.2039 2.2196 2.2196 2.2891 2.2891 2.3302 2.3302 2.3723 2.3723 2.4001 2.4001 2.4327 2.4327 2.5056 2.5056 2.5163 2.5163 2.5804 2.5804 2.6242 2.6242 2.7131 2.7131 2.7274 2.7274 2.8790 2.8790 2.9000 2.9000 3.0884 3.0884 3.1026 3.1026 4.4016 4.4016 4.5094 4.5094 4.9899 4.9899 5.0344 5.0344 6.3567 6.3567 6.4890 6.4890 6.5769 6.5769 6.6801 6.6801 8.8711 8.8711 9.0153 9.0153 9.0523 9.0523 9.1401 9.1401 k = 0.1111 0.5000-0.0000 ( 7680 PWs) bands (ev): -3.4531 -3.4531 -3.4531 -3.4531 1.0313 1.0313 1.0777 1.0777 1.4161 1.4161 1.4287 1.4287 1.4983 1.4983 1.5058 1.5058 1.5882 1.5882 1.6014 1.6014 1.7439 1.7439 1.7559 1.7559 1.7805 1.7805 1.7968 1.7968 1.9005 1.9005 1.9397 1.9397 2.1607 2.1607 2.1976 2.1976 2.2235 2.2235 2.2961 2.2961 2.3260 2.3260 2.3758 2.3758 2.3954 2.3954 2.4339 2.4339 2.5027 2.5027 2.5163 2.5163 2.5740 2.5740 2.6270 2.6270 2.7070 2.7070 2.7244 2.7244 2.8693 2.8693 2.8979 2.8979 3.0811 3.0811 3.0973 3.0973 4.3781 4.3781 4.5243 4.5243 4.9719 4.9719 5.0300 5.0300 6.3459 6.3459 6.4939 6.4939 6.6066 6.6066 6.7149 6.7149 8.8145 8.8145 8.9714 8.9714 9.0180 9.0180 9.0955 9.0955 k = 0.1296 0.5000-0.0000 ( 7696 PWs) bands (ev): -3.4514 -3.4514 -3.4513 -3.4513 1.0312 1.0312 1.0940 1.0940 1.4180 1.4180 1.4345 1.4345 1.4995 1.4995 1.5091 1.5091 1.5880 1.5880 1.6043 1.6043 1.7383 1.7383 1.7518 1.7518 1.7806 1.7806 1.8003 1.8003 1.8986 1.8986 1.9437 1.9437 2.1542 2.1542 2.1917 2.1917 2.2271 2.2271 2.3022 2.3022 2.3218 2.3218 2.3786 2.3786 2.3907 2.3907 2.4346 2.4346 2.4997 2.4997 2.5164 2.5164 2.5672 2.5672 2.6296 2.6296 2.7000 2.7000 2.7206 2.7206 2.8579 2.8579 2.8955 2.8955 3.0724 3.0724 3.0905 3.0905 4.3555 4.3555 4.5414 4.5414 4.9538 4.9538 5.0251 5.0251 6.3207 6.3207 6.4525 6.4525 6.6855 6.6855 6.7668 6.7668 8.7635 8.7635 8.9333 8.9333 8.9805 8.9805 9.0463 9.0463 k = 0.1481 0.5000-0.0000 ( 7698 PWs) bands (ev): -3.4494 -3.4494 -3.4493 -3.4493 1.0311 1.0311 1.1125 1.1125 1.4203 1.4203 1.4412 1.4412 1.5005 1.5005 1.5129 1.5129 1.5881 1.5881 1.6075 1.6075 1.7327 1.7327 1.7475 1.7475 1.7807 1.7807 1.8037 1.8037 1.8968 1.8968 1.9477 1.9477 2.1482 2.1482 2.1862 2.1862 2.2304 2.2304 2.3069 2.3069 2.3181 2.3181 2.3800 2.3800 2.3863 2.3863 2.4350 2.4350 2.4966 2.4966 2.5164 2.5164 2.5603 2.5603 2.6318 2.6318 2.6921 2.6921 2.7160 2.7160 2.8452 2.8452 2.8930 2.8930 3.0624 3.0624 3.0823 3.0823 4.3353 4.3353 4.5604 4.5604 4.9365 4.9365 5.0195 5.0195 6.2834 6.2834 6.3989 6.3989 6.7785 6.7785 6.8326 6.8326 8.7183 8.7183 8.9009 8.9009 8.9406 8.9406 8.9941 8.9941 k = 0.1667 0.5000-0.0000 ( 7686 PWs) bands (ev): -3.4472 -3.4472 -3.4471 -3.4471 1.0310 1.0310 1.1333 1.1333 1.4230 1.4230 1.4486 1.4486 1.5010 1.5010 1.5170 1.5170 1.5884 1.5884 1.6111 1.6111 1.7269 1.7269 1.7433 1.7433 1.7807 1.7807 1.8070 1.8070 1.8953 1.8953 1.9517 1.9517 2.1429 2.1429 2.1808 2.1808 2.2332 2.2332 2.3085 2.3085 2.3169 2.3169 2.3787 2.3787 2.3836 2.3836 2.4351 2.4351 2.4937 2.4937 2.5165 2.5165 2.5533 2.5533 2.6337 2.6337 2.6834 2.6834 2.7107 2.7107 2.8312 2.8312 2.8904 2.8904 3.0508 3.0508 3.0729 3.0729 4.3187 4.3187 4.5810 4.5810 4.9206 4.9206 5.0135 5.0135 6.2373 6.2373 6.3385 6.3385 6.8794 6.8794 6.9090 6.9090 8.6788 8.6788 8.8731 8.8731 8.8993 8.8993 8.9409 8.9409 k = 0.1852 0.5000-0.0000 ( 7678 PWs) bands (ev): -3.4448 -3.4448 -3.4448 -3.4448 1.0309 1.0309 1.1560 1.1560 1.4261 1.4261 1.4567 1.4567 1.5007 1.5007 1.5213 1.5213 1.5893 1.5893 1.6149 1.6149 1.7213 1.7213 1.7391 1.7391 1.7808 1.7808 1.8104 1.8104 1.8939 1.8939 1.9557 1.9557 2.1383 2.1383 2.1754 2.1754 2.2353 2.2353 2.3058 2.3058 2.3192 2.3192 2.3744 2.3744 2.3825 2.3825 2.4351 2.4351 2.4908 2.4908 2.5165 2.5165 2.5464 2.5464 2.6352 2.6352 2.6738 2.6738 2.7044 2.7044 2.8163 2.8163 2.8877 2.8877 3.0373 3.0373 3.0627 3.0627 4.3069 4.3069 4.6030 4.6030 4.9068 4.9068 5.0070 5.0070 6.1846 6.1846 6.2729 6.2729 6.9854 6.9854 6.9940 6.9940 8.6448 8.6448 8.8454 8.8454 8.8572 8.8572 8.8923 8.8923 k = 0.2037 0.5000-0.0000 ( 7682 PWs) bands (ev): -3.4424 -3.4424 -3.4423 -3.4423 1.0307 1.0307 1.1806 1.1806 1.4297 1.4297 1.4653 1.4653 1.4995 1.4995 1.5261 1.5261 1.5909 1.5909 1.6191 1.6191 1.7156 1.7156 1.7350 1.7350 1.7807 1.7807 1.8137 1.8137 1.8926 1.8926 1.9598 1.9598 2.1344 2.1344 2.1701 2.1701 2.2361 2.2361 2.3022 2.3022 2.3222 2.3222 2.3696 2.3696 2.3807 2.3807 2.4350 2.4350 2.4879 2.4879 2.5163 2.5163 2.5398 2.5398 2.6361 2.6361 2.6636 2.6636 2.6971 2.6971 2.8009 2.8009 2.8848 2.8848 3.0220 3.0220 3.0520 3.0520 4.3005 4.3005 4.6260 4.6260 4.8954 4.8954 5.0001 5.0001 6.1273 6.1273 6.2030 6.2030 7.0831 7.0831 7.0973 7.0973 8.6161 8.6161 8.8050 8.8050 8.8147 8.8147 8.8623 8.8623 k = 0.2222 0.5000-0.0000 ( 7670 PWs) bands (ev): -3.4398 -3.4398 -3.4397 -3.4397 1.0306 1.0306 1.2067 1.2067 1.4338 1.4338 1.4739 1.4739 1.4978 1.4978 1.5312 1.5312 1.5932 1.5932 1.6235 1.6235 1.7101 1.7101 1.7313 1.7313 1.7807 1.7807 1.8170 1.8170 1.8916 1.8916 1.9639 1.9639 2.1314 2.1314 2.1647 2.1647 2.2354 2.2354 2.2990 2.2990 2.3248 2.3248 2.3647 2.3647 2.3779 2.3779 2.4348 2.4348 2.4850 2.4850 2.5159 2.5159 2.5338 2.5338 2.6357 2.6357 2.6529 2.6529 2.6887 2.6887 2.7858 2.7858 2.8816 2.8816 3.0050 3.0050 3.0412 3.0412 4.3001 4.3001 4.6498 4.6498 4.8869 4.8869 4.9930 4.9930 6.0667 6.0667 6.1297 6.1297 7.1783 7.1783 7.2104 7.2104 8.5925 8.5925 8.7521 8.7521 8.7730 8.7730 8.8507 8.8507 k = 0.2407 0.5000-0.0000 ( 7668 PWs) bands (ev): -3.4372 -3.4372 -3.4371 -3.4371 1.0304 1.0304 1.2340 1.2340 1.4383 1.4383 1.4804 1.4804 1.4976 1.4976 1.5366 1.5366 1.5962 1.5962 1.6282 1.6282 1.7047 1.7047 1.7279 1.7279 1.7807 1.7807 1.8202 1.8202 1.8906 1.8906 1.9680 1.9680 2.1288 2.1288 2.1593 2.1593 2.2326 2.2326 2.2968 2.2968 2.3268 2.3268 2.3600 2.3600 2.3743 2.3743 2.4344 2.4344 2.4816 2.4816 2.5150 2.5150 2.5288 2.5288 2.6329 2.6329 2.6424 2.6424 2.6795 2.6795 2.7716 2.7716 2.8777 2.8777 2.9869 2.9869 3.0304 3.0304 4.3059 4.3059 4.6740 4.6740 4.8815 4.8815 4.9857 4.9857 6.0039 6.0039 6.0536 6.0536 7.2763 7.2763 7.3250 7.3250 8.5736 8.5736 8.6963 8.6963 8.7325 8.7325 8.8491 8.8491 k = 0.2593 0.5000-0.0000 ( 7668 PWs) bands (ev): -3.4345 -3.4345 -3.4345 -3.4345 1.0303 1.0303 1.2622 1.2622 1.4434 1.4434 1.4809 1.4809 1.5032 1.5032 1.5424 1.5424 1.5999 1.5999 1.6330 1.6330 1.6995 1.6995 1.7248 1.7248 1.7807 1.7807 1.8233 1.8233 1.8899 1.8899 1.9722 1.9722 2.1267 2.1267 2.1538 2.1538 2.2274 2.2274 2.2958 2.2958 2.3280 2.3280 2.3556 2.3556 2.3701 2.3701 2.4338 2.4338 2.4776 2.4776 2.5135 2.5135 2.5249 2.5249 2.6248 2.6248 2.6331 2.6331 2.6710 2.6710 2.7591 2.7591 2.8728 2.8728 2.9687 2.9687 3.0199 3.0199 4.3180 4.3180 4.6984 4.6984 4.8793 4.8793 4.9784 4.9784 5.9400 5.9400 5.9753 5.9753 7.3761 7.3761 7.4393 7.4393 8.5594 8.5594 8.6406 8.6406 8.6934 8.6934 8.8553 8.8553 k = 0.2778 0.5000-0.0000 ( 7678 PWs) bands (ev): -3.4319 -3.4319 -3.4318 -3.4318 1.0301 1.0301 1.2906 1.2906 1.4491 1.4491 1.4771 1.4771 1.5130 1.5130 1.5485 1.5485 1.6041 1.6041 1.6380 1.6380 1.6947 1.6947 1.7221 1.7221 1.7808 1.7808 1.8263 1.8263 1.8894 1.8894 1.9764 1.9764 2.1247 2.1247 2.1484 2.1484 2.2202 2.2202 2.2956 2.2956 2.3284 2.3284 2.3517 2.3517 2.3656 2.3656 2.4330 2.4330 2.4728 2.4728 2.5112 2.5112 2.5224 2.5224 2.6128 2.6128 2.6220 2.6220 2.6653 2.6653 2.7485 2.7485 2.8661 2.8661 2.9515 2.9515 3.0096 3.0096 4.3361 4.3361 4.7225 4.7225 4.8803 4.8803 4.9712 4.9712 5.8756 5.8756 5.8954 5.8954 7.4765 7.4765 7.5519 7.5519 8.5498 8.5498 8.5863 8.5863 8.6562 8.6562 8.8691 8.8691 k = 0.2963 0.5000-0.0000 ( 7662 PWs) bands (ev): -3.4293 -3.4293 -3.4292 -3.4292 1.0299 1.0299 1.3185 1.3185 1.4554 1.4554 1.4726 1.4726 1.5242 1.5242 1.5549 1.5549 1.6088 1.6088 1.6428 1.6428 1.6904 1.6904 1.7196 1.7196 1.7810 1.7810 1.8292 1.8292 1.8891 1.8891 1.9807 1.9807 2.1226 2.1226 2.1433 2.1433 2.2114 2.2114 2.2957 2.2957 2.3281 2.3281 2.3485 2.3485 2.3614 2.3614 2.4318 2.4318 2.4672 2.4672 2.5086 2.5086 2.5206 2.5206 2.5987 2.5987 2.6077 2.6077 2.6629 2.6629 2.7399 2.7399 2.8570 2.8570 2.9368 2.9368 2.9998 2.9998 4.3601 4.3601 4.7461 4.7461 4.8845 4.8845 4.9642 4.9642 5.8115 5.8115 5.8145 5.8145 7.5761 7.5761 7.6608 7.6608 8.5340 8.5340 8.5448 8.5448 8.6213 8.6213 8.8909 8.8909 k = 0.3148 0.5000-0.0000 ( 7666 PWs) bands (ev): -3.4268 -3.4268 -3.4267 -3.4267 1.0297 1.0297 1.3445 1.3445 1.4599 1.4599 1.4710 1.4710 1.5357 1.5357 1.5616 1.5616 1.6138 1.6138 1.6473 1.6473 1.6869 1.6869 1.7173 1.7173 1.7814 1.7814 1.8320 1.8320 1.8892 1.8892 1.9849 1.9849 2.1199 2.1199 2.1385 2.1385 2.2014 2.2014 2.2948 2.2948 2.3271 2.3271 2.3462 2.3462 2.3576 2.3576 2.4303 2.4303 2.4608 2.4608 2.5058 2.5058 2.5191 2.5191 2.5818 2.5818 2.5932 2.5932 2.6627 2.6627 2.7329 2.7329 2.8450 2.8450 2.9254 2.9254 2.9904 2.9904 4.3896 4.3896 4.7689 4.7689 4.8917 4.8917 4.9576 4.9576 5.7330 5.7330 5.7482 5.7482 7.6732 7.6732 7.7642 7.7642 8.4846 8.4846 8.5445 8.5445 8.5889 8.5889 8.9214 8.9214 k = 0.3333 0.5000-0.0000 ( 7680 PWs) bands (ev): -3.4244 -3.4244 -3.4243 -3.4243 1.0296 1.0296 1.3670 1.3670 1.4588 1.4588 1.4778 1.4778 1.5470 1.5470 1.5688 1.5688 1.6194 1.6194 1.6511 1.6511 1.6847 1.6847 1.7152 1.7152 1.7819 1.7819 1.8347 1.8347 1.8895 1.8895 1.9890 1.9890 2.1162 2.1162 2.1344 2.1344 2.1909 2.1909 2.2918 2.2918 2.3257 2.3257 2.3451 2.3451 2.3543 2.3543 2.4283 2.4283 2.4538 2.4538 2.5024 2.5024 2.5175 2.5175 2.5634 2.5634 2.5800 2.5800 2.6637 2.6637 2.7270 2.7270 2.8307 2.8307 2.9173 2.9173 2.9816 2.9816 4.4243 4.4243 4.7908 4.7908 4.9015 4.9015 4.9517 4.9517 5.6513 5.6513 5.6863 5.6863 7.7661 7.7661 7.8600 7.8600 8.4382 8.4382 8.5474 8.5474 8.5616 8.5616 8.9614 8.9614 k = 0.3519 0.5000-0.0000 ( 7680 PWs) bands (ev): -3.4222 -3.4222 -3.4221 -3.4221 1.0294 1.0294 1.3841 1.3841 1.4570 1.4570 1.4897 1.4897 1.5574 1.5574 1.5765 1.5765 1.6257 1.6257 1.6538 1.6538 1.6842 1.6842 1.7134 1.7134 1.7827 1.7827 1.8373 1.8373 1.8903 1.8903 1.9929 1.9929 2.1114 2.1114 2.1312 2.1312 2.1803 2.1803 2.2858 2.2858 2.3240 2.3240 2.3455 2.3455 2.3516 2.3516 2.4259 2.4259 2.4466 2.4466 2.4977 2.4977 2.5159 2.5159 2.5464 2.5464 2.5679 2.5679 2.6654 2.6654 2.7222 2.7222 2.8153 2.8153 2.9118 2.9118 2.9734 2.9734 4.4636 4.4636 4.8115 4.8115 4.9130 4.9130 4.9472 4.9472 5.5699 5.5699 5.6263 5.6263 7.8525 7.8525 7.9463 7.9463 8.3955 8.3955 8.5295 8.5295 8.5638 8.5638 9.0114 9.0114 k = 0.3704 0.5000-0.0000 ( 7676 PWs) bands (ev): -3.4201 -3.4201 -3.4200 -3.4200 1.0292 1.0292 1.3944 1.3944 1.4574 1.4574 1.5042 1.5042 1.5662 1.5662 1.5844 1.5844 1.6333 1.6333 1.6554 1.6554 1.6854 1.6854 1.7119 1.7119 1.7837 1.7837 1.8399 1.8399 1.8914 1.8914 1.9964 1.9964 2.1056 2.1056 2.1292 2.1292 2.1701 2.1701 2.2761 2.2761 2.3220 2.3220 2.3464 2.3464 2.3505 2.3505 2.4228 2.4228 2.4398 2.4398 2.4906 2.4906 2.5142 2.5142 2.5334 2.5334 2.5567 2.5567 2.6677 2.6677 2.7180 2.7180 2.7998 2.7998 2.9082 2.9082 2.9660 2.9660 4.5073 4.5073 4.8306 4.8306 4.9236 4.9236 4.9468 4.9468 5.4892 5.4892 5.5686 5.5686 7.9303 7.9303 8.0217 8.0217 8.3568 8.3568 8.5058 8.5058 8.5814 8.5814 9.0714 9.0714 k = 0.3889 0.5000-0.0000 ( 7672 PWs) bands (ev): -3.4183 -3.4183 -3.4182 -3.4182 1.0291 1.0291 1.3987 1.3987 1.4599 1.4599 1.5197 1.5197 1.5732 1.5732 1.5919 1.5919 1.6422 1.6422 1.6569 1.6569 1.6879 1.6879 1.7113 1.7113 1.7848 1.7848 1.8424 1.8424 1.8929 1.8929 1.9995 1.9995 2.0992 2.0992 2.1283 2.1283 2.1603 2.1603 2.2628 2.2628 2.3201 2.3201 2.3446 2.3446 2.3535 2.3535 2.4191 2.4191 2.4341 2.4341 2.4810 2.4810 2.5126 2.5126 2.5250 2.5250 2.5467 2.5467 2.6703 2.6703 2.7144 2.7144 2.7852 2.7852 2.9057 2.9057 2.9594 2.9594 4.5548 4.5548 4.8479 4.8479 4.9275 4.9275 4.9559 4.9559 5.4098 5.4098 5.5140 5.5140 7.9974 7.9974 8.0853 8.0853 8.3225 8.3225 8.4846 8.4846 8.6062 8.6062 9.1403 9.1403 k = 0.4074 0.5000-0.0000 ( 7688 PWs) bands (ev): -3.4167 -3.4167 -3.4166 -3.4166 1.0289 1.0289 1.3991 1.3991 1.4636 1.4636 1.5346 1.5346 1.5786 1.5786 1.5978 1.5978 1.6505 1.6505 1.6600 1.6600 1.6907 1.6907 1.7121 1.7121 1.7859 1.7859 1.8450 1.8450 1.8947 1.8947 2.0021 2.0021 2.0927 2.0927 2.1285 2.1285 2.1511 2.1511 2.2462 2.2462 2.3183 2.3183 2.3415 2.3415 2.3583 2.3583 2.4153 2.4153 2.4298 2.4298 2.4701 2.4701 2.5110 2.5110 2.5201 2.5201 2.5381 2.5381 2.6732 2.6732 2.7113 2.7113 2.7720 2.7720 2.9039 2.9039 2.9537 2.9537 4.6055 4.6055 4.8628 4.8628 4.9268 4.9268 4.9722 4.9722 5.3321 5.3321 5.4629 5.4629 8.0523 8.0523 8.1370 8.1370 8.2928 8.2928 8.4665 8.4665 8.6369 8.6369 9.2157 9.2157 k = 0.4259 0.5000-0.0000 ( 7692 PWs) bands (ev): -3.4153 -3.4153 -3.4152 -3.4152 1.0288 1.0288 1.3977 1.3977 1.4675 1.4675 1.5474 1.5474 1.5827 1.5827 1.6021 1.6021 1.6548 1.6548 1.6669 1.6669 1.6929 1.6929 1.7156 1.7156 1.7869 1.7869 1.8476 1.8476 1.8968 1.8968 2.0040 2.0040 2.0872 2.0872 2.1301 2.1301 2.1424 2.1424 2.2273 2.2273 2.3170 2.3170 2.3383 2.3383 2.3635 2.3635 2.4124 2.4124 2.4268 2.4268 2.4592 2.4592 2.5095 2.5095 2.5173 2.5173 2.5311 2.5311 2.6762 2.6762 2.7086 2.7086 2.7606 2.7606 2.9027 2.9027 2.9489 2.9489 4.6587 4.6587 4.8746 4.8746 4.9260 4.9260 4.9911 4.9911 5.2568 5.2568 5.4163 5.4163 8.0948 8.0948 8.1774 8.1774 8.2681 8.2681 8.4516 8.4516 8.6711 8.6711 9.2938 9.2938 k = 0.4444 0.5000-0.0000 ( 7700 PWs) bands (ev): -3.4143 -3.4143 -3.4142 -3.4142 1.0287 1.0287 1.3958 1.3958 1.4709 1.4709 1.5576 1.5576 1.5855 1.5855 1.6047 1.6047 1.6573 1.6573 1.6736 1.6736 1.6940 1.6940 1.7221 1.7221 1.7877 1.7877 1.8501 1.8501 1.8990 1.8990 2.0053 2.0053 2.0831 2.0831 2.1314 2.1314 2.1361 2.1361 2.2074 2.2074 2.3161 2.3161 2.3352 2.3352 2.3685 2.3685 2.4111 2.4111 2.4247 2.4247 2.4491 2.4491 2.5080 2.5080 2.5156 2.5156 2.5257 2.5257 2.6790 2.6790 2.7065 2.7065 2.7513 2.7513 2.9019 2.9019 2.9451 2.9451 4.7130 4.7130 4.8831 4.8831 4.9262 4.9262 5.0104 5.0104 5.1853 5.1853 5.3755 5.3755 8.1257 8.1257 8.2075 8.2075 8.2485 8.2485 8.4399 8.4399 8.7048 8.7048 9.3690 9.3690 k = 0.4630 0.5000-0.0000 ( 7684 PWs) bands (ev): -3.4135 -3.4135 -3.4134 -3.4134 1.0286 1.0286 1.3941 1.3941 1.4734 1.4734 1.5649 1.5649 1.5875 1.5875 1.6062 1.6062 1.6595 1.6595 1.6780 1.6780 1.6944 1.6944 1.7298 1.7298 1.7881 1.7881 1.8524 1.8524 1.9010 1.9010 2.0062 2.0062 2.0812 2.0812 2.1253 2.1253 2.1398 2.1398 2.1884 2.1884 2.3157 2.3157 2.3326 2.3326 2.3726 2.3726 2.4119 2.4119 2.4233 2.4233 2.4400 2.4400 2.5069 2.5069 2.5148 2.5148 2.5219 2.5219 2.6815 2.6815 2.7049 2.7049 2.7443 2.7443 2.9014 2.9014 2.9424 2.9424 4.7658 4.7658 4.8882 4.8882 4.9274 4.9274 5.0279 5.0279 5.1202 5.1202 5.3425 5.3425 8.1465 8.1465 8.2280 8.2280 8.2344 8.2344 8.4315 8.4315 8.7334 8.7334 9.4336 9.4336 k = 0.4815 0.5000-0.0000 ( 7688 PWs) bands (ev): -3.4130 -3.4130 -3.4129 -3.4129 1.0286 1.0286 1.3930 1.3930 1.4750 1.4750 1.5693 1.5693 1.5885 1.5885 1.6067 1.6067 1.6611 1.6611 1.6802 1.6802 1.6943 1.6943 1.7358 1.7358 1.7883 1.7883 1.8540 1.8540 1.9026 1.9026 2.0066 2.0066 2.0810 2.0810 2.1194 2.1194 2.1473 2.1473 2.1716 2.1716 2.3155 2.3155 2.3309 2.3309 2.3752 2.3752 2.4140 2.4140 2.4230 2.4230 2.4321 2.4321 2.5060 2.5060 2.5144 2.5144 2.5195 2.5195 2.6832 2.6832 2.7039 2.7039 2.7399 2.7399 2.9011 2.9011 2.9408 2.9408 4.8102 4.8102 4.8907 4.8907 4.9290 4.9290 5.0403 5.0403 5.0685 5.0685 5.3204 5.3204 8.1584 8.1584 8.2255 8.2255 8.2403 8.2403 8.4264 8.4264 8.7527 8.7527 9.4784 9.4784 k = 0.5000 0.5000-0.0000 ( 7692 PWs) bands (ev): -3.4129 -3.4129 -3.4128 -3.4128 1.0286 1.0286 1.3926 1.3926 1.4756 1.4756 1.5707 1.5707 1.5889 1.5889 1.6069 1.6069 1.6617 1.6617 1.6809 1.6809 1.6943 1.6943 1.7380 1.7380 1.7883 1.7883 1.8546 1.8546 1.9031 1.9031 2.0067 2.0067 2.0813 2.0813 2.1170 2.1170 2.1571 2.1571 2.1586 2.1586 2.3155 2.3155 2.3303 2.3303 2.3761 2.3761 2.4154 2.4154 2.4239 2.4239 2.4278 2.4278 2.5057 2.5057 2.5143 2.5143 2.5187 2.5187 2.6838 2.6838 2.7036 2.7036 2.7384 2.7384 2.9010 2.9010 2.9402 2.9402 4.8297 4.8297 4.8914 4.8914 4.9299 4.9299 5.0415 5.0415 5.0500 5.0500 5.3125 5.3125 8.1623 8.1623 8.2225 8.2225 8.2442 8.2442 8.4248 8.4248 8.7595 8.7595 9.4946 9.4946 k = 0.5000 0.5000-0.0000 ( 7692 PWs) bands (ev): -3.4129 -3.4129 -3.4128 -3.4128 1.0286 1.0286 1.3926 1.3926 1.4756 1.4756 1.5707 1.5707 1.5889 1.5889 1.6069 1.6069 1.6617 1.6617 1.6809 1.6809 1.6943 1.6943 1.7380 1.7380 1.7883 1.7883 1.8546 1.8546 1.9031 1.9031 2.0067 2.0067 2.0813 2.0813 2.1170 2.1170 2.1571 2.1571 2.1586 2.1586 2.3155 2.3155 2.3303 2.3303 2.3761 2.3761 2.4154 2.4154 2.4239 2.4239 2.4278 2.4278 2.5057 2.5057 2.5143 2.5143 2.5187 2.5187 2.6838 2.6838 2.7036 2.7036 2.7384 2.7384 2.9010 2.9010 2.9402 2.9402 4.8297 4.8297 4.8914 4.8914 4.9299 4.9299 5.0415 5.0415 5.0500 5.0500 5.3125 5.3125 8.1623 8.1623 8.2225 8.2225 8.2442 8.2442 8.4248 8.4248 8.7595 8.7595 9.4946 9.4946 k = 0.4868 0.4868-0.0000 ( 7688 PWs) bands (ev): -3.4133 -3.4133 -3.4127 -3.4127 1.0286 1.0286 1.3930 1.3930 1.4750 1.4750 1.5693 1.5693 1.5885 1.5885 1.6067 1.6067 1.6610 1.6610 1.6802 1.6802 1.6943 1.6943 1.7357 1.7357 1.7883 1.7883 1.8540 1.8540 1.9026 1.9026 2.0066 2.0066 2.0810 2.0810 2.1194 2.1194 2.1475 2.1475 2.1715 2.1715 2.3155 2.3155 2.3309 2.3309 2.3752 2.3752 2.4140 2.4140 2.4230 2.4230 2.4322 2.4322 2.5060 2.5060 2.5144 2.5144 2.5195 2.5195 2.6832 2.6832 2.7039 2.7039 2.7399 2.7399 2.9011 2.9011 2.9408 2.9408 4.8098 4.8098 4.8907 4.8907 4.9291 4.9291 5.0464 5.0464 5.0625 5.0625 5.3208 5.3208 8.1584 8.1584 8.2255 8.2255 8.2403 8.2403 8.4265 8.4265 8.7525 8.7525 9.4784 9.4784 k = 0.4737 0.4737-0.0000 ( 7692 PWs) bands (ev): -3.4146 -3.4146 -3.4123 -3.4123 1.0286 1.0286 1.3941 1.3941 1.4734 1.4734 1.5651 1.5651 1.5874 1.5874 1.6060 1.6060 1.6593 1.6593 1.6784 1.6784 1.6944 1.6944 1.7293 1.7293 1.7882 1.7882 1.8522 1.8522 1.9008 1.9008 2.0061 2.0061 2.0807 2.0807 2.1255 2.1255 2.1414 2.1414 2.1877 2.1877 2.3157 2.3157 2.3327 2.3327 2.3727 2.3727 2.4114 2.4114 2.4234 2.4234 2.4401 2.4401 2.5067 2.5067 2.5153 2.5153 2.5214 2.5214 2.6815 2.6815 2.7049 2.7049 2.7443 2.7443 2.9014 2.9014 2.9424 2.9424 4.7629 4.7629 4.8881 4.8881 4.9280 4.9280 5.0525 5.0525 5.0940 5.0940 5.3468 5.3468 8.1468 8.1468 8.2285 8.2285 8.2344 8.2344 8.4316 8.4316 8.7312 8.7312 9.4350 9.4350 k = 0.4605 0.4605-0.0000 ( 7698 PWs) bands (ev): -3.4168 -3.4168 -3.4117 -3.4117 1.0287 1.0287 1.3959 1.3959 1.4709 1.4709 1.5586 1.5586 1.5853 1.5853 1.6042 1.6042 1.6566 1.6566 1.6753 1.6753 1.6941 1.6941 1.7203 1.7203 1.7877 1.7877 1.8492 1.8492 1.8982 1.8982 2.0052 2.0052 2.0811 2.0811 2.1318 2.1318 2.1418 2.1418 2.2057 2.2057 2.3163 2.3163 2.3353 2.3353 2.3693 2.3693 2.4098 2.4098 2.4251 2.4251 2.4496 2.4496 2.5073 2.5073 2.5174 2.5174 2.5242 2.5242 2.6791 2.6791 2.7064 2.7064 2.7512 2.7512 2.9019 2.9019 2.9453 2.9453 4.7055 4.7055 4.8820 4.8820 4.9288 4.9288 5.0613 5.0613 5.1240 5.1240 5.3921 5.3921 8.1276 8.1276 8.2098 8.2098 8.2484 8.2484 8.4403 8.4403 8.6949 8.6949 9.3758 9.3758 k = 0.4474 0.4474-0.0000 ( 7686 PWs) bands (ev): -3.4199 -3.4199 -3.4108 -3.4108 1.0288 1.0288 1.3982 1.3982 1.4676 1.4676 1.5503 1.5503 1.5822 1.5822 1.6007 1.6007 1.6533 1.6533 1.6711 1.6711 1.6918 1.6918 1.7113 1.7113 1.7867 1.7867 1.8452 1.8452 1.8952 1.8952 2.0035 2.0035 2.0823 2.0823 2.1367 2.1367 2.1497 2.1497 2.2243 2.2243 2.3175 2.3175 2.3385 2.3385 2.3659 2.3659 2.4093 2.4093 2.4276 2.4276 2.4602 2.4602 2.5080 2.5080 2.5208 2.5208 2.5278 2.5278 2.6765 2.6765 2.7086 2.7086 2.7601 2.7601 2.9026 2.9026 2.9494 2.9494 4.6452 4.6452 4.8713 4.8713 4.9324 4.9324 5.0735 5.0735 5.1463 5.1463 5.4551 5.4551 8.1010 8.1010 8.1845 8.1845 8.2674 8.2674 8.4526 8.4526 8.6428 8.6428 9.3121 9.3121 k = 0.4342 0.4342-0.0000 ( 7674 PWs) bands (ev): -3.4238 -3.4238 -3.4097 -3.4097 1.0290 1.0290 1.4005 1.4005 1.4640 1.4640 1.5404 1.5404 1.5777 1.5777 1.5951 1.5951 1.6497 1.6497 1.6659 1.6659 1.6848 1.6848 1.7067 1.7067 1.7849 1.7849 1.8407 1.8407 1.8922 1.8922 2.0009 2.0009 2.0843 2.0843 2.1432 2.1432 2.1604 2.1604 2.2422 2.2422 2.3193 2.3193 2.3421 2.3421 2.3638 2.3638 2.4102 2.4102 2.4309 2.4309 2.4717 2.4717 2.5089 2.5089 2.5248 2.5248 2.5322 2.5322 2.6738 2.6738 2.7114 2.7114 2.7708 2.7708 2.9034 2.9034 2.9549 2.9549 4.5853 4.5853 4.8561 4.8561 4.9391 4.9391 5.0890 5.0890 5.1619 5.1619 5.5311 5.5311 8.0675 8.0675 8.1535 8.1535 8.2909 8.2909 8.4685 8.4685 8.5755 8.5755 9.2512 9.2512 k = 0.4211 0.4211-0.0000 ( 7666 PWs) bands (ev): -3.4285 -3.4285 -3.4084 -3.4084 1.0293 1.0293 1.4022 1.4022 1.4604 1.4604 1.5293 1.5293 1.5713 1.5713 1.5877 1.5877 1.6458 1.6458 1.6594 1.6594 1.6742 1.6742 1.7063 1.7063 1.7822 1.7822 1.8362 1.8362 1.8896 1.8896 1.9973 1.9973 2.0874 2.0874 2.1522 2.1522 2.1722 2.1722 2.2578 2.2578 2.3213 2.3213 2.3449 2.3449 2.3652 2.3652 2.4127 2.4127 2.4350 2.4350 2.4841 2.4841 2.5100 2.5100 2.5290 2.5290 2.5379 2.5379 2.6712 2.6712 2.7146 2.7146 2.7829 2.7829 2.9046 2.9046 2.9617 2.9617 4.5273 4.5273 4.8369 4.8369 4.9483 4.9483 5.1077 5.1077 5.1734 5.1734 5.6158 5.6158 8.0280 8.0280 8.1169 8.1169 8.3180 8.3180 8.4813 8.4813 8.5019 8.5019 9.1968 9.1968 k = 0.4079 0.4079-0.0000 ( 7654 PWs) bands (ev): -3.4339 -3.4339 -3.4068 -3.4068 1.0296 1.0296 1.4027 1.4027 1.4576 1.4576 1.5171 1.5171 1.5628 1.5628 1.5789 1.5789 1.6418 1.6418 1.6513 1.6513 1.6641 1.6641 1.7076 1.7076 1.7788 1.7788 1.8320 1.8320 1.8875 1.8875 1.9931 1.9931 2.0914 2.0914 2.1625 2.1625 2.1843 2.1843 2.2701 2.2701 2.3231 2.3231 2.3462 2.3462 2.3709 2.3709 2.4179 2.4179 2.4398 2.4398 2.4972 2.4972 2.5117 2.5117 2.5330 2.5330 2.5445 2.5445 2.6687 2.6687 2.7185 2.7185 2.7961 2.7961 2.9060 2.9060 2.9701 2.9701 4.4720 4.4720 4.8143 4.8143 4.9597 4.9597 5.1295 5.1295 5.1826 5.1826 5.7062 5.7062 7.9836 7.9836 8.0749 8.0749 8.3458 8.3458 8.4018 8.4018 8.5168 8.5168 9.1498 9.1498 k = 0.3947 0.3947-0.0000 ( 7656 PWs) bands (ev): -3.4401 -3.4401 -3.4050 -3.4050 1.0300 1.0300 1.4010 1.4010 1.4556 1.4556 1.5042 1.5042 1.5518 1.5518 1.5691 1.5691 1.6373 1.6373 1.6415 1.6415 1.6561 1.6561 1.7095 1.7095 1.7751 1.7751 1.8284 1.8284 1.8858 1.8858 1.9885 1.9885 2.0963 2.0963 2.1736 2.1736 2.1966 2.1966 2.2790 2.2790 2.3243 2.3243 2.3470 2.3470 2.3784 2.3784 2.4272 2.4272 2.4452 2.4452 2.5088 2.5088 2.5155 2.5155 2.5371 2.5371 2.5518 2.5518 2.6663 2.6663 2.7228 2.7228 2.8103 2.8103 2.9079 2.9079 2.9801 2.9801 4.4199 4.4199 4.7889 4.7889 4.9731 4.9731 5.1543 5.1543 5.1908 5.1908 5.8002 5.8002 7.9354 7.9354 8.0276 8.0276 8.2948 8.2948 8.3855 8.3855 8.5472 8.5472 9.1095 9.1095 k = 0.3816 0.3816-0.0000 ( 7662 PWs) bands (ev): -3.4470 -3.4470 -3.4031 -3.4031 1.0305 1.0305 1.3969 1.3969 1.4541 1.4541 1.4915 1.4915 1.5389 1.5389 1.5588 1.5588 1.6293 1.6293 1.6336 1.6336 1.6505 1.6505 1.7116 1.7116 1.7714 1.7714 1.8252 1.8252 1.8847 1.8847 1.9840 1.9840 2.1019 2.1019 2.1847 2.1847 2.2086 2.2086 2.2854 2.2854 2.3248 2.3248 2.3485 2.3485 2.3845 2.3845 2.4413 2.4413 2.4513 2.4513 2.5131 2.5131 2.5270 2.5270 2.5421 2.5421 2.5595 2.5595 2.6642 2.6642 2.7276 2.7276 2.8249 2.8249 2.9106 2.9106 2.9917 2.9917 4.3712 4.3712 4.7610 4.7610 4.9882 4.9882 5.1818 5.1818 5.1986 5.1986 5.8960 5.8960 7.8844 7.8844 7.9754 7.9754 8.1917 8.1917 8.4186 8.4186 8.5835 8.5835 9.0747 9.0747 k = 0.3684 0.3684-0.0000 ( 7660 PWs) bands (ev): -3.4546 -3.4546 -3.4009 -3.4009 1.0312 1.0312 1.3903 1.3903 1.4504 1.4504 1.4811 1.4811 1.5248 1.5248 1.5480 1.5480 1.6182 1.6182 1.6273 1.6273 1.6475 1.6475 1.7137 1.7137 1.7681 1.7681 1.8226 1.8226 1.8840 1.8840 1.9801 1.9801 2.1079 2.1079 2.1958 2.1958 2.2200 2.2200 2.2904 2.2904 2.3248 2.3248 2.3509 2.3509 2.3885 2.3885 2.4571 2.4571 2.4597 2.4597 2.5155 2.5155 2.5382 2.5382 2.5505 2.5505 2.5675 2.5675 2.6622 2.6622 2.7329 2.7329 2.8395 2.8395 2.9146 2.9146 3.0049 3.0049 4.3262 4.3262 4.7312 4.7312 5.0051 5.0051 5.2059 5.2059 5.2121 5.2121 5.9921 5.9921 7.8310 7.8310 7.9191 7.9191 8.0868 8.0868 8.4539 8.4539 8.6257 8.6257 9.0443 9.0443 k = 0.3553 0.3553-0.0000 ( 7652 PWs) bands (ev): -3.4627 -3.4627 -3.3986 -3.3986 1.0321 1.0321 1.3818 1.3818 1.4412 1.4412 1.4757 1.4757 1.5103 1.5103 1.5369 1.5369 1.6066 1.6066 1.6200 1.6200 1.6470 1.6470 1.7157 1.7157 1.7652 1.7652 1.8202 1.8202 1.8837 1.8837 1.9773 1.9773 2.1141 2.1141 2.2066 2.2066 2.2308 2.2308 2.2949 2.2949 2.3244 2.3244 2.3541 2.3541 2.3910 2.3910 2.4644 2.4644 2.4779 2.4779 2.5183 2.5183 2.5451 2.5451 2.5643 2.5643 2.5754 2.5754 2.6606 2.6606 2.7385 2.7385 2.8530 2.8530 2.9212 2.9212 3.0194 3.0194 4.2849 4.2849 4.6997 4.6997 5.0234 5.0234 5.2139 5.2139 5.2439 5.2439 6.0867 6.0867 7.7746 7.7746 7.8607 7.8607 7.9843 7.9843 8.4902 8.4902 8.6735 8.6735 9.0176 9.0176 k = 0.3421 0.3421-0.0000 ( 7655 PWs) bands (ev): -3.4713 -3.4713 -3.3961 -3.3961 1.0333 1.0333 1.3717 1.3717 1.4268 1.4268 1.4743 1.4743 1.4959 1.4959 1.5255 1.5255 1.5950 1.5950 1.6119 1.6119 1.6491 1.6491 1.7173 1.7173 1.7627 1.7627 1.8180 1.8180 1.8837 1.8837 1.9759 1.9759 2.1203 2.1203 2.2169 2.2169 2.2410 2.2410 2.2994 2.2994 2.3239 2.3239 2.3580 2.3580 2.3926 2.3926 2.4715 2.4715 2.4942 2.4942 2.5231 2.5231 2.5511 2.5511 2.5802 2.5802 2.5833 2.5833 2.6592 2.6592 2.7443 2.7443 2.8641 2.8641 2.9321 2.9321 3.0351 3.0351 4.2475 4.2475 4.6671 4.6671 5.0431 5.0431 5.2220 5.2220 5.2775 5.2775 6.1775 6.1775 7.7129 7.7129 7.8038 7.8038 7.8879 7.8879 8.5276 8.5276 8.7264 8.7264 8.9939 8.9939 k = 0.3289 0.3289-0.0000 ( 7643 PWs) bands (ev): -3.4804 -3.4804 -3.3935 -3.3935 1.0347 1.0347 1.3604 1.3604 1.4099 1.4099 1.4738 1.4738 1.4822 1.4822 1.5139 1.5139 1.5834 1.5834 1.6032 1.6032 1.6537 1.6537 1.7185 1.7185 1.7608 1.7608 1.8159 1.8159 1.8839 1.8839 1.9764 1.9764 2.1264 2.1264 2.2265 2.2265 2.2507 2.2507 2.3044 2.3044 2.3234 2.3234 2.3625 2.3625 2.3937 2.3937 2.4786 2.4786 2.5045 2.5045 2.5311 2.5311 2.5586 2.5586 2.5908 2.5908 2.5965 2.5965 2.6582 2.6582 2.7503 2.7503 2.8715 2.8715 2.9486 2.9486 3.0517 3.0517 4.2139 4.2139 4.6336 4.6336 5.0641 5.0641 5.2304 5.2304 5.3123 5.3123 6.2616 6.2616 7.6429 7.6429 7.7529 7.7529 7.8014 7.8014 8.5662 8.5662 8.7836 8.7836 8.9730 8.9730 k = 0.3158 0.3158-0.0000 ( 7645 PWs) bands (ev): -3.4899 -3.4899 -3.3907 -3.3907 1.0364 1.0364 1.3480 1.3480 1.3918 1.3918 1.4687 1.4687 1.4734 1.4734 1.5024 1.5024 1.5720 1.5720 1.5940 1.5940 1.6605 1.6605 1.7189 1.7189 1.7594 1.7594 1.8139 1.8139 1.8841 1.8841 1.9792 1.9792 2.1324 2.1324 2.2352 2.2352 2.2603 2.2603 2.3097 2.3097 2.3229 2.3229 2.3674 2.3674 2.3944 2.3944 2.4857 2.4857 2.5093 2.5093 2.5398 2.5398 2.5696 2.5696 2.5982 2.5982 2.6119 2.6119 2.6580 2.6580 2.7561 2.7561 2.8754 2.8754 2.9710 2.9710 3.0688 3.0688 4.1840 4.1840 4.5995 4.5995 5.0862 5.0862 5.2391 5.2391 5.3475 5.3475 6.3351 6.3351 7.5637 7.5637 7.7102 7.7102 7.7297 7.7297 8.6063 8.6063 8.8442 8.8442 8.9551 8.9551 k = 0.3026 0.3026-0.0000 ( 7665 PWs) bands (ev): -3.4997 -3.4997 -3.3879 -3.3879 1.0384 1.0384 1.3348 1.3348 1.3731 1.3731 1.4569 1.4569 1.4711 1.4711 1.4909 1.4909 1.5607 1.5607 1.5842 1.5842 1.6693 1.6693 1.7186 1.7186 1.7585 1.7585 1.8119 1.8119 1.8841 1.8841 1.9844 1.9844 2.1383 2.1383 2.2431 2.2431 2.2697 2.2697 2.3154 2.3154 2.3227 2.3227 2.3725 2.3725 2.3948 2.3948 2.4927 2.4927 2.5116 2.5116 2.5462 2.5462 2.5840 2.5840 2.6052 2.6052 2.6256 2.6256 2.6592 2.6592 2.7618 2.7618 2.8767 2.8767 2.9986 2.9986 3.0861 3.0861 4.1579 4.1579 4.5653 4.5653 5.1093 5.1093 5.2481 5.2481 5.3824 5.3824 6.3930 6.3930 7.4763 7.4763 7.6739 7.6739 7.6804 7.6804 8.6482 8.6482 8.9046 8.9046 8.9429 8.9429 k = 0.2895 0.2895-0.0000 ( 7665 PWs) bands (ev): -3.5098 -3.5098 -3.3849 -3.3849 1.0408 1.0408 1.3209 1.3209 1.3542 1.3542 1.4458 1.4458 1.4678 1.4678 1.4799 1.4799 1.5497 1.5497 1.5740 1.5740 1.6796 1.6796 1.7176 1.7176 1.7585 1.7585 1.8101 1.8101 1.8840 1.8840 1.9923 1.9923 2.1443 2.1443 2.2501 2.2501 2.2792 2.2792 2.3212 2.3212 2.3229 2.3229 2.3778 2.3778 2.3951 2.3951 2.4992 2.4992 2.5131 2.5131 2.5507 2.5507 2.5998 2.5998 2.6118 2.6118 2.6357 2.6357 2.6635 2.6635 2.7672 2.7672 2.8761 2.8761 3.0306 3.0306 3.1032 3.1032 4.1353 4.1353 4.5312 4.5312 5.1333 5.1333 5.2575 5.2575 5.4164 5.4164 6.4303 6.4303 7.3823 7.3823 7.6482 7.6482 7.6550 7.6550 8.6921 8.6921 8.9206 8.9206 8.9802 8.9802 k = 0.2763 0.2763-0.0000 ( 7677 PWs) bands (ev): -3.5200 -3.5200 -3.3820 -3.3820 1.0435 1.0435 1.3066 1.3066 1.3354 1.3354 1.4356 1.4356 1.4626 1.4626 1.4699 1.4699 1.5390 1.5390 1.5634 1.5634 1.6903 1.6903 1.7166 1.7166 1.7592 1.7592 1.8084 1.8084 1.8835 1.8835 2.0028 2.0028 2.1503 2.1503 2.2565 2.2565 2.2883 2.2883 2.3234 2.3234 2.3275 2.3275 2.3829 2.3829 2.3953 2.3953 2.5051 2.5051 2.5145 2.5145 2.5541 2.5541 2.6148 2.6148 2.6185 2.6185 2.6410 2.6410 2.6720 2.6720 2.7721 2.7721 2.8742 2.8742 3.0665 3.0665 3.1201 3.1201 4.1162 4.1162 4.4975 4.4975 5.1580 5.1580 5.2673 5.2673 5.4485 5.4485 6.4432 6.4432 7.2830 7.2830 7.6392 7.6392 7.6517 7.6517 8.7382 8.7382 8.9114 8.9114 9.0470 9.0470 k = 0.2632 0.2632-0.0000 ( 7681 PWs) bands (ev): -3.5304 -3.5304 -3.3789 -3.3789 1.0466 1.0466 1.2920 1.2920 1.3168 1.3168 1.4263 1.4263 1.4546 1.4546 1.4622 1.4622 1.5286 1.5286 1.5526 1.5526 1.6987 1.6987 1.7182 1.7182 1.7605 1.7605 1.8070 1.8070 1.8828 1.8828 2.0157 2.0157 2.1566 2.1566 2.2623 2.2623 2.2967 2.2967 2.3250 2.3250 2.3335 2.3335 2.3878 2.3878 2.3956 2.3956 2.5094 2.5094 2.5168 2.5168 2.5572 2.5572 2.6230 2.6230 2.6307 2.6307 2.6431 2.6431 2.6829 2.6829 2.7766 2.7766 2.8712 2.8712 3.1053 3.1053 3.1370 3.1370 4.1004 4.1004 4.4645 4.4645 5.1833 5.1833 5.2772 5.2772 5.4781 5.4781 6.4313 6.4313 7.1793 7.1793 7.6356 7.6356 7.6833 7.6833 8.7866 8.7866 8.9035 8.9035 9.1166 9.1166 k = 0.2500 0.2500-0.0000 ( 7701 PWs) bands (ev): -3.5408 -3.5408 -3.3759 -3.3759 1.0501 1.0501 1.2772 1.2772 1.2987 1.2987 1.4177 1.4177 1.4447 1.4447 1.4561 1.4561 1.5184 1.5184 1.5418 1.5418 1.7008 1.7008 1.7258 1.7258 1.7623 1.7623 1.8063 1.8063 1.8820 1.8820 2.0308 2.0308 2.1632 2.1632 2.2677 2.2677 2.3038 2.3038 2.3281 2.3281 2.3394 2.3394 2.3914 2.3914 2.3969 2.3969 2.5116 2.5116 2.5205 2.5205 2.5600 2.5600 2.6281 2.6281 2.6426 2.6426 2.6456 2.6456 2.6944 2.6944 2.7806 2.7806 2.8671 2.8671 3.1417 3.1417 3.1587 3.1587 4.0876 4.0876 4.4323 4.4323 5.2089 5.2089 5.2874 5.2874 5.5044 5.5044 6.3976 6.3976 7.0720 7.0720 7.6428 7.6428 7.7421 7.7421 8.8370 8.8370 8.8985 8.8985 9.1873 9.1873 k = 0.2368 0.2368-0.0000 ( 7681 PWs) bands (ev): -3.5512 -3.5512 -3.3729 -3.3729 1.0539 1.0539 1.2626 1.2626 1.2811 1.2811 1.4097 1.4097 1.4347 1.4347 1.4502 1.4502 1.5084 1.5084 1.5312 1.5312 1.6990 1.6990 1.7366 1.7366 1.7645 1.7645 1.8065 1.8065 1.8812 1.8812 2.0479 2.0479 2.1704 2.1704 2.2727 2.2727 2.3095 2.3095 2.3328 2.3328 2.3452 2.3452 2.3930 2.3930 2.4001 2.4001 2.5126 2.5126 2.5246 2.5246 2.5629 2.5629 2.6325 2.6325 2.6441 2.6441 2.6571 2.6571 2.7057 2.7057 2.7841 2.7841 2.8623 2.8623 3.1612 3.1612 3.1993 3.1993 4.0778 4.0778 4.4012 4.4012 5.2347 5.2347 5.2978 5.2978 5.5268 5.5268 6.3472 6.3472 6.9619 6.9619 7.6615 7.6615 7.8229 7.8229 8.8843 8.8843 8.9017 8.9017 9.2585 9.2585 k = 0.2237 0.2237-0.0000 ( 7703 PWs) bands (ev): -3.5615 -3.5615 -3.3698 -3.3698 1.0579 1.0579 1.2480 1.2480 1.2640 1.2640 1.4023 1.4023 1.4249 1.4249 1.4440 1.4440 1.4985 1.4985 1.5208 1.5208 1.6962 1.6962 1.7469 1.7469 1.7669 1.7669 1.8081 1.8081 1.8804 1.8804 2.0666 2.0666 2.1780 2.1780 2.2770 2.2770 2.3138 2.3138 2.3389 2.3389 2.3508 2.3508 2.3935 2.3935 2.4041 2.4041 2.5133 2.5133 2.5282 2.5282 2.5660 2.5660 2.6359 2.6359 2.6448 2.6448 2.6682 2.6682 2.7164 2.7164 2.7870 2.7870 2.8567 2.8567 3.1747 3.1747 3.2475 3.2475 4.0706 4.0706 4.3714 4.3714 5.2605 5.2605 5.3083 5.3083 5.5451 5.5451 6.2855 6.2855 6.8497 6.8497 7.6920 7.6920 7.9206 7.9206 8.8927 8.8927 8.9493 8.9493 9.3296 9.3296 k = 0.2105 0.2105-0.0000 ( 7699 PWs) bands (ev): -3.5716 -3.5716 -3.3669 -3.3669 1.0622 1.0622 1.2338 1.2338 1.2476 1.2476 1.3953 1.3953 1.4154 1.4154 1.4376 1.4376 1.4890 1.4890 1.5112 1.5112 1.6934 1.6934 1.7550 1.7550 1.7695 1.7695 1.8119 1.8119 1.8802 1.8802 2.0868 2.0868 2.1863 2.1863 2.2808 2.2808 2.3177 2.3177 2.3455 2.3455 2.3563 2.3563 2.3939 2.3939 2.4082 2.4082 2.5139 2.5139 2.5309 2.5309 2.5695 2.5695 2.6382 2.6382 2.6462 2.6462 2.6779 2.6779 2.7265 2.7265 2.7895 2.7895 2.8505 2.8505 3.1864 3.1864 3.2989 3.2989 4.0658 4.0658 4.3431 4.3431 5.2859 5.2859 5.3189 5.3189 5.5589 5.5589 6.2167 6.2167 6.7359 6.7359 7.7345 7.7345 8.0305 8.0305 8.8961 8.8961 9.0074 9.0074 9.4002 9.4002 k = 0.1974 0.1974-0.0000 ( 7697 PWs) bands (ev): -3.5814 -3.5814 -3.3639 -3.3639 1.0667 1.0667 1.2201 1.2201 1.2320 1.2320 1.3887 1.3887 1.4063 1.4063 1.4308 1.4308 1.4799 1.4799 1.5022 1.5022 1.6909 1.6909 1.7603 1.7603 1.7721 1.7721 1.8175 1.8175 1.8807 1.8807 2.1080 2.1080 2.1952 2.1952 2.2839 2.2839 2.3215 2.3215 2.3519 2.3519 2.3618 2.3618 2.3946 2.3946 2.4121 2.4121 2.5145 2.5145 2.5327 2.5327 2.5732 2.5732 2.6392 2.6392 2.6481 2.6481 2.6861 2.6861 2.7357 2.7357 2.7914 2.7914 2.8438 2.8438 3.1965 3.1965 3.3529 3.3529 4.0632 4.0632 4.3163 4.3163 5.3101 5.3101 5.3303 5.3303 5.5683 5.5683 6.1445 6.1445 6.6214 6.6214 7.7886 7.7886 8.1492 8.1492 8.9022 8.9022 9.0686 9.0686 9.4699 9.4699 k = 0.1842 0.1842-0.0000 ( 7685 PWs) bands (ev): -3.5910 -3.5910 -3.3611 -3.3611 1.0713 1.0713 1.2069 1.2069 1.2172 1.2172 1.3825 1.3825 1.3976 1.3976 1.4235 1.4235 1.4715 1.4715 1.4941 1.4941 1.6890 1.6890 1.7632 1.7632 1.7746 1.7746 1.8238 1.8238 1.8827 1.8827 2.1302 2.1302 2.2047 2.2047 2.2866 2.2866 2.3255 2.3255 2.3574 2.3574 2.3674 2.3674 2.3957 2.3957 2.4158 2.4158 2.5151 2.5151 2.5335 2.5335 2.5771 2.5771 2.6393 2.6393 2.6504 2.6504 2.6929 2.6929 2.7440 2.7440 2.7929 2.7929 2.8369 2.8369 3.2054 3.2054 3.4092 3.4092 4.0626 4.0626 4.2912 4.2912 5.3298 5.3298 5.3452 5.3452 5.5737 5.5737 6.0711 6.0711 6.5067 6.5067 7.8540 7.8540 8.2740 8.2740 8.9117 8.9117 9.1325 9.1325 9.5382 9.5382 k = 0.1711 0.1711-0.0000 ( 7687 PWs) bands (ev): -3.6002 -3.6002 -3.3584 -3.3584 1.0760 1.0760 1.1942 1.1942 1.2033 1.2033 1.3765 1.3765 1.3894 1.3894 1.4156 1.4156 1.4643 1.4643 1.4866 1.4866 1.6876 1.6876 1.7643 1.7643 1.7770 1.7770 1.8293 1.8293 1.8869 1.8869 2.1529 2.1529 2.2147 2.2147 2.2889 2.2889 2.3298 2.3298 2.3615 2.3615 2.3735 2.3735 2.3974 2.3974 2.4194 2.4194 2.5158 2.5158 2.5335 2.5335 2.5811 2.5811 2.6387 2.6387 2.6527 2.6527 2.6979 2.6979 2.7514 2.7514 2.7939 2.7939 2.8301 2.8301 3.2129 3.2129 3.4674 3.4674 4.0636 4.0636 4.2678 4.2678 5.3423 5.3423 5.3662 5.3662 5.5755 5.5755 5.9987 5.9987 6.3925 6.3925 7.9297 7.9297 8.4023 8.4023 8.9252 8.9252 9.1990 9.1990 9.6046 9.6046 k = 0.1579 0.1579-0.0000 ( 7687 PWs) bands (ev): -3.6090 -3.6090 -3.3558 -3.3558 1.0806 1.0806 1.1823 1.1823 1.1903 1.1903 1.3708 1.3708 1.3817 1.3817 1.4071 1.4071 1.4583 1.4583 1.4798 1.4798 1.6869 1.6869 1.7645 1.7645 1.7792 1.7792 1.8326 1.8326 1.8934 1.8934 2.1760 2.1760 2.2249 2.2249 2.2909 2.2909 2.3342 2.3342 2.3643 2.3643 2.3801 2.3801 2.3995 2.3995 2.4231 2.4231 2.5165 2.5165 2.5327 2.5327 2.5848 2.5848 2.6376 2.6376 2.6550 2.6550 2.7011 2.7011 2.7578 2.7578 2.7944 2.7944 2.8235 2.8235 3.2192 3.2192 3.5273 3.5273 4.0660 4.0660 4.2463 4.2463 5.3514 5.3514 5.3889 5.3889 5.5740 5.5740 5.9285 5.9285 6.2794 6.2794 8.0149 8.0149 8.5312 8.5312 8.9441 8.9441 9.2680 9.2680 9.6687 9.6687 k = 0.1447 0.1447-0.0000 ( 7691 PWs) bands (ev): -3.6173 -3.6173 -3.3533 -3.3533 1.0851 1.0851 1.1710 1.1710 1.1783 1.1783 1.3654 1.3654 1.3744 1.3744 1.3981 1.3981 1.4535 1.4535 1.4737 1.4737 1.6868 1.6868 1.7643 1.7643 1.7812 1.7812 1.8335 1.8335 1.9021 1.9021 2.1992 2.1992 2.2353 2.2353 2.2929 2.2929 2.3386 2.3386 2.3660 2.3660 2.3870 2.3870 2.4018 2.4018 2.4271 2.4271 2.5171 2.5171 2.5313 2.5313 2.5880 2.5880 2.6357 2.6357 2.6573 2.6573 2.7023 2.7023 2.7634 2.7634 2.7945 2.7945 2.8177 2.8177 3.2244 3.2244 3.5887 3.5887 4.0696 4.0696 4.2266 4.2266 5.3587 5.3587 5.4112 5.4112 5.5699 5.5699 5.8619 5.8619 6.1681 6.1681 8.1083 8.1083 8.6563 8.6563 8.9716 8.9716 9.3393 9.3393 9.7302 9.7302 k = 0.1316 0.1316-0.0000 ( 7695 PWs) bands (ev): -3.6250 -3.6250 -3.3510 -3.3510 1.0894 1.0894 1.1606 1.1606 1.1674 1.1674 1.3603 1.3603 1.3677 1.3677 1.3889 1.3889 1.4498 1.4498 1.4681 1.4681 1.6873 1.6873 1.7640 1.7640 1.7831 1.7831 1.8325 1.8325 1.9119 1.9119 2.2219 2.2219 2.2456 2.2456 2.2953 2.2953 2.3430 2.3430 2.3669 2.3669 2.3940 2.3940 2.4046 2.4046 2.4316 2.4316 2.5177 2.5177 2.5294 2.5294 2.5904 2.5904 2.6330 2.6330 2.6596 2.6596 2.7015 2.7015 2.7681 2.7681 2.7945 2.7945 2.8127 2.8127 3.2286 3.2286 3.6511 3.6511 4.0740 4.0740 4.2088 4.2088 5.3642 5.3642 5.4325 5.4325 5.5636 5.5636 5.7999 5.7999 6.0596 6.0596 8.2087 8.2087 8.7685 8.7685 9.0153 9.0153 9.4128 9.4128 9.7885 9.7885 k = 0.1184 0.1184-0.0000 ( 7697 PWs) bands (ev): -3.6322 -3.6322 -3.3488 -3.3488 1.0935 1.0935 1.1510 1.1510 1.1574 1.1574 1.3556 1.3556 1.3615 1.3615 1.3799 1.3799 1.4471 1.4471 1.4631 1.4631 1.6884 1.6884 1.7638 1.7638 1.7847 1.7847 1.8301 1.8301 1.9222 1.9222 2.2434 2.2434 2.2556 2.2556 2.2983 2.2983 2.3471 2.3471 2.3673 2.3673 2.3998 2.3998 2.4088 2.4088 2.4367 2.4367 2.5180 2.5180 2.5273 2.5273 2.5918 2.5918 2.6294 2.6294 2.6619 2.6619 2.6989 2.6989 2.7721 2.7721 2.7943 2.7943 2.8087 2.8087 3.2319 3.2319 3.7142 3.7142 4.0790 4.0790 4.1930 4.1930 5.3678 5.3678 5.4526 5.4526 5.5554 5.5554 5.7435 5.7435 5.9548 5.9548 8.3145 8.3145 8.8537 8.8537 9.0881 9.0881 9.4881 9.4881 9.8433 9.8433 k = 0.1053 0.1053-0.0000 ( 7693 PWs) bands (ev): -3.6388 -3.6388 -3.3469 -3.3469 1.0973 1.0973 1.1423 1.1423 1.1486 1.1486 1.3513 1.3513 1.3559 1.3559 1.3712 1.3712 1.4452 1.4452 1.4585 1.4585 1.6898 1.6898 1.7639 1.7639 1.7862 1.7862 1.8268 1.8268 1.9324 1.9324 2.2610 2.2610 2.2663 2.2663 2.3034 2.3034 2.3510 2.3510 2.3674 2.3674 2.4027 2.4027 2.4163 2.4163 2.4427 2.4427 2.5180 2.5180 2.5251 2.5251 2.5915 2.5915 2.6248 2.6248 2.6642 2.6642 2.6948 2.6948 2.7753 2.7753 2.7943 2.7943 2.8056 2.8056 3.2344 3.2344 3.7772 3.7772 4.0844 4.0844 4.1792 4.1792 5.3689 5.3689 5.4711 5.4711 5.5453 5.5453 5.6937 5.6937 5.8552 5.8552 8.4238 8.4238 8.9081 8.9081 9.1924 9.1924 9.5646 9.5646 9.8942 9.8942 k = 0.0921 0.0921-0.0000 ( 7689 PWs) bands (ev): -3.6446 -3.6446 -3.3451 -3.3451 1.1007 1.1007 1.1345 1.1345 1.1409 1.1409 1.3474 1.3474 1.3509 1.3509 1.3631 1.3631 1.4438 1.4438 1.4546 1.4546 1.6915 1.6915 1.7645 1.7645 1.7875 1.7875 1.8228 1.8228 1.9419 1.9419 2.2712 2.2712 2.2786 2.2786 2.3126 2.3126 2.3545 2.3545 2.3673 2.3673 2.4039 2.4039 2.4259 2.4259 2.4494 2.4494 2.5170 2.5170 2.5236 2.5236 2.5895 2.5895 2.6190 2.6190 2.6665 2.6665 2.6901 2.6901 2.7780 2.7780 2.7944 2.7944 2.8031 2.8031 3.2362 3.2362 3.8393 3.8393 4.0897 4.0897 4.1675 4.1675 5.3672 5.3672 5.4878 5.4878 5.5325 5.5325 5.6514 5.6514 5.7630 5.7630 8.5345 8.5345 8.9438 8.9438 9.3143 9.3143 9.6416 9.6416 9.9402 9.9402 k = 0.0789 0.0789-0.0000 ( 7687 PWs) bands (ev): -3.6498 -3.6498 -3.3436 -3.3436 1.1036 1.1036 1.1277 1.1277 1.1343 1.1343 1.3440 1.3440 1.3465 1.3465 1.3558 1.3558 1.4429 1.4429 1.4511 1.4511 1.6933 1.6933 1.7656 1.7656 1.7886 1.7886 1.8182 1.8182 1.9506 1.9506 2.2785 2.2785 2.2864 2.2864 2.3268 2.3268 2.3575 2.3575 2.3671 2.3671 2.4042 2.4042 2.4369 2.4369 2.4570 2.4570 2.5148 2.5148 2.5231 2.5231 2.5854 2.5854 2.6115 2.6115 2.6687 2.6687 2.6855 2.6855 2.7801 2.7801 2.7947 2.7947 2.8011 2.8011 3.2376 3.2376 3.8994 3.8994 4.0946 4.0946 4.1580 4.1580 5.3623 5.3623 5.5021 5.5021 5.5152 5.5152 5.6172 5.6172 5.6823 5.6823 8.6440 8.6440 8.9707 8.9707 9.4420 9.4420 9.7176 9.7176 9.9790 9.9790 k = 0.0658 0.0658-0.0000 ( 7687 PWs) bands (ev): -3.6542 -3.6542 -3.3422 -3.3422 1.1059 1.1059 1.1218 1.1218 1.1289 1.1289 1.3411 1.3411 1.3428 1.3428 1.3494 1.3494 1.4423 1.4423 1.4482 1.4482 1.6951 1.6951 1.7672 1.7672 1.7896 1.7896 1.8134 1.8134 1.9582 1.9582 2.2845 2.2845 2.2907 2.2907 2.3428 2.3428 2.3601 2.3601 2.3669 2.3669 2.4040 2.4040 2.4488 2.4488 2.4655 2.4655 2.5123 2.5123 2.5231 2.5231 2.5793 2.5793 2.6021 2.6021 2.6707 2.6707 2.6818 2.6818 2.7817 2.7817 2.7950 2.7950 2.7995 2.7995 3.2384 3.2384 3.9561 3.9561 4.0988 4.0988 4.1508 4.1508 5.3547 5.3547 5.4855 5.4855 5.5163 5.5163 5.5910 5.5910 5.6205 5.6205 8.7488 8.7488 8.9928 8.9928 9.5688 9.5688 9.7904 9.7904 10.0015 10.0015 k = 0.0526 0.0526-0.0000 ( 7701 PWs) bands (ev): -3.6579 -3.6579 -3.3411 -3.3411 1.1076 1.1076 1.1170 1.1170 1.1247 1.1247 1.3386 1.3386 1.3396 1.3396 1.3440 1.3440 1.4419 1.4419 1.4458 1.4458 1.6968 1.6968 1.7695 1.7695 1.7903 1.7903 1.8082 1.8082 1.9646 1.9646 2.2892 2.2892 2.2933 2.2933 2.3577 2.3577 2.3624 2.3624 2.3668 2.3668 2.4037 2.4037 2.4612 2.4612 2.4751 2.4751 2.5100 2.5100 2.5232 2.5232 2.5715 2.5715 2.5908 2.5908 2.6724 2.6724 2.6791 2.6791 2.7829 2.7829 2.7954 2.7954 2.7982 2.7982 3.2390 3.2390 4.0072 4.0072 4.1018 4.1018 4.1464 4.1464 5.3453 5.3453 5.4435 5.4435 5.5268 5.5268 5.5722 5.5722 5.5831 5.5831 8.8449 8.8449 9.0111 9.0111 9.6902 9.6902 9.8564 9.8564 10.0038 10.0038 k = 0.0395 0.0395-0.0000 ( 7713 PWs) bands (ev): -3.6608 -3.6608 -3.3403 -3.3403 1.1084 1.1084 1.1132 1.1132 1.1220 1.1220 1.3367 1.3367 1.3372 1.3372 1.3398 1.3398 1.4417 1.4417 1.4439 1.4439 1.6981 1.6981 1.7724 1.7724 1.7908 1.7908 1.8031 1.8031 1.9697 1.9697 2.2928 2.2928 2.2951 2.2951 2.3636 2.3636 2.3657 2.3657 2.3719 2.3719 2.4032 2.4032 2.4732 2.4732 2.4857 2.4857 2.5089 2.5089 2.5235 2.5235 2.5623 2.5623 2.5776 2.5776 2.6739 2.6739 2.6774 2.6774 2.7836 2.7836 2.7957 2.7957 2.7973 2.7973 3.2394 3.2394 4.0500 4.0500 4.1035 4.1035 4.1450 4.1450 5.3357 5.3357 5.3964 5.3964 5.5352 5.5352 5.5594 5.5594 5.5638 5.5638 8.9274 8.9274 9.0258 9.0258 9.8012 9.8012 9.9109 9.9109 10.0000 10.0000 k = 0.0263 0.0263-0.0000 ( 7733 PWs) bands (ev): -3.6628 -3.6628 -3.3396 -3.3396 1.1085 1.1085 1.1104 1.1104 1.1204 1.1204 1.3353 1.3353 1.3355 1.3355 1.3367 1.3367 1.4415 1.4415 1.4425 1.4425 1.6992 1.6992 1.7757 1.7757 1.7912 1.7912 1.7980 1.7980 1.9734 1.9734 2.2953 2.2953 2.2962 2.2962 2.3648 2.3648 2.3658 2.3658 2.3813 2.3813 2.4029 2.4029 2.4825 2.4825 2.4979 2.4979 2.5106 2.5106 2.5238 2.5238 2.5524 2.5524 2.5631 2.5631 2.6750 2.6750 2.6764 2.6764 2.7840 2.7840 2.7960 2.7960 2.7967 2.7967 3.2396 3.2396 4.0814 4.0814 4.1042 4.1042 4.1469 4.1469 5.3275 5.3275 5.3560 5.3560 5.5412 5.5412 5.5512 5.5512 5.5541 5.5541 8.9913 8.9913 9.0367 9.0367 9.8949 9.8949 9.9503 9.9503 9.9971 9.9971 k = 0.0132 0.0132-0.0000 ( 7723 PWs) bands (ev): -3.6641 -3.6641 -3.3393 -3.3393 1.1083 1.1083 1.1088 1.1088 1.1198 1.1198 1.3344 1.3344 1.3345 1.3345 1.3348 1.3348 1.4415 1.4415 1.4418 1.4418 1.6998 1.6998 1.7791 1.7791 1.7914 1.7914 1.7936 1.7936 1.9757 1.9757 2.2967 2.2967 2.2970 2.2970 2.3655 2.3655 2.3658 2.3658 2.3872 2.3872 2.4026 2.4026 2.4872 2.4872 2.5100 2.5100 2.5172 2.5172 2.5246 2.5246 2.5426 2.5426 2.5481 2.5481 2.6757 2.6757 2.6760 2.6760 2.7842 2.7842 2.7961 2.7961 2.7963 2.7963 3.2396 3.2396 4.0990 4.0990 4.1043 4.1043 4.1509 4.1509 5.3220 5.3220 5.3294 5.3294 5.5446 5.5446 5.5468 5.5468 5.5496 5.5496 9.0318 9.0318 9.0434 9.0434 9.9554 9.9554 9.9788 9.9788 9.9978 9.9978 k = 0.0000 0.0000 0.0000 ( 7689 PWs) bands (ev): -3.6645 -3.6645 -3.3391 -3.3391 1.1083 1.1083 1.1083 1.1083 1.1197 1.1197 1.3341 1.3341 1.3343 1.3343 1.3343 1.3343 1.4415 1.4415 1.4415 1.4415 1.7001 1.7001 1.7809 1.7809 1.7915 1.7915 1.7915 1.7915 1.9764 1.9764 2.2973 2.2973 2.2973 2.2973 2.3659 2.3659 2.3659 2.3659 2.3893 2.3893 2.4026 2.4026 2.4884 2.4884 2.5151 2.5151 2.5260 2.5260 2.5260 2.5260 2.5371 2.5371 2.5371 2.5371 2.6760 2.6760 2.6760 2.6760 2.7842 2.7842 2.7962 2.7962 2.7962 2.7962 3.2397 3.2397 4.1043 4.1043 4.1043 4.1043 4.1532 4.1532 5.3201 5.3201 5.3201 5.3201 5.5453 5.5453 5.5453 5.5453 5.5486 5.5486 9.0457 9.0457 9.0457 9.0457 9.9672 9.9672 9.9994 9.9994 9.9994 9.9994 k = 0.0000 0.0000 0.0000 ( 7689 PWs) bands (ev): -3.6645 -3.6645 -3.3391 -3.3391 1.1083 1.1083 1.1083 1.1083 1.1197 1.1197 1.3341 1.3341 1.3343 1.3343 1.3343 1.3343 1.4415 1.4415 1.4415 1.4415 1.7001 1.7001 1.7809 1.7809 1.7915 1.7915 1.7915 1.7915 1.9764 1.9764 2.2973 2.2973 2.2973 2.2973 2.3659 2.3659 2.3659 2.3659 2.3893 2.3893 2.4026 2.4026 2.4884 2.4884 2.5151 2.5151 2.5260 2.5260 2.5260 2.5260 2.5371 2.5371 2.5371 2.5371 2.6760 2.6760 2.6760 2.6760 2.7842 2.7842 2.7962 2.7962 2.7962 2.7962 3.2397 3.2397 4.1043 4.1043 4.1043 4.1043 4.1532 4.1532 5.3201 5.3201 5.3201 5.3201 5.5453 5.5453 5.5453 5.5453 5.5486 5.5486 9.0457 9.0457 9.0457 9.0457 9.9672 9.9672 9.9994 9.9994 9.9994 9.9994 k = 0.0109 0.0109 0.0109 ( 7722 PWs) bands (ev): -3.6640 -3.6640 -3.3393 -3.3393 1.1086 1.1086 1.1086 1.1086 1.1198 1.1198 1.3344 1.3344 1.3346 1.3346 1.3348 1.3348 1.4415 1.4415 1.4417 1.4417 1.6998 1.6998 1.7791 1.7791 1.7914 1.7914 1.7937 1.7937 1.9756 1.9756 2.2967 2.2967 2.2970 2.2970 2.3655 2.3655 2.3658 2.3658 2.3872 2.3872 2.4026 2.4026 2.4871 2.4871 2.5110 2.5110 2.5157 2.5157 2.5245 2.5245 2.5445 2.5445 2.5470 2.5470 2.6756 2.6756 2.6760 2.6760 2.7842 2.7842 2.7962 2.7962 2.7963 2.7963 3.2396 3.2396 4.0994 4.0994 4.1038 4.1038 4.1509 4.1509 5.3257 5.3257 5.3259 5.3259 5.5459 5.5459 5.5459 5.5459 5.5493 5.5493 9.0368 9.0368 9.0381 9.0381 9.9534 9.9534 9.9796 9.9796 9.9985 9.9985 k = 0.0217 0.0217 0.0217 ( 7716 PWs) bands (ev): -3.6628 -3.6628 -3.3397 -3.3397 1.1096 1.1096 1.1096 1.1096 1.1202 1.1202 1.3354 1.3354 1.3355 1.3355 1.3367 1.3367 1.4417 1.4417 1.4424 1.4424 1.6992 1.6992 1.7757 1.7757 1.7911 1.7911 1.7982 1.7982 1.9734 1.9734 2.2951 2.2951 2.2963 2.2963 2.3648 2.3648 2.3658 2.3658 2.3812 2.3812 2.4029 2.4029 2.4817 2.4817 2.5014 2.5014 2.5067 2.5067 2.5236 2.5236 2.5567 2.5567 2.5604 2.5604 2.6749 2.6749 2.6766 2.6766 2.7840 2.7840 2.7961 2.7961 2.7966 2.7966 3.2396 3.2396 4.0851 4.0851 4.0992 4.0992 4.1473 4.1473 5.3417 5.3417 5.3424 5.3424 5.5477 5.5477 5.5480 5.5480 5.5516 5.5516 9.0102 9.0102 9.0152 9.0152 9.8832 9.8832 9.9637 9.9637 9.9961 9.9961 k = 0.0326 0.0326 0.0326 ( 7704 PWs) bands (ev): -3.6607 -3.6607 -3.3403 -3.3403 1.1113 1.1113 1.1114 1.1114 1.1210 1.1210 1.3371 1.3371 1.3371 1.3371 1.3397 1.3397 1.4421 1.4421 1.4436 1.4436 1.6981 1.6981 1.7723 1.7723 1.7906 1.7906 1.8035 1.8035 1.9696 1.9696 2.2925 2.2925 2.2951 2.2951 2.3637 2.3637 2.3656 2.3656 2.3721 2.3721 2.4033 2.4033 2.4723 2.4723 2.4868 2.4868 2.5069 2.5069 2.5228 2.5228 2.5686 2.5686 2.5735 2.5735 2.6736 2.6736 2.6777 2.6777 2.7836 2.7836 2.7959 2.7959 2.7970 2.7970 3.2394 3.2394 4.0623 4.0623 4.0837 4.0837 4.1505 4.1505 5.3650 5.3650 5.3665 5.3665 5.5516 5.5516 5.5537 5.5537 5.5570 5.5570 8.9674 8.9674 8.9776 8.9776 9.7781 9.7781 9.9490 9.9490 9.9928 9.9928 k = 0.0435 0.0435 0.0435 ( 7698 PWs) bands (ev): -3.6577 -3.6577 -3.3412 -3.3412 1.1137 1.1137 1.1139 1.1139 1.1220 1.1220 1.3393 1.3393 1.3395 1.3395 1.3440 1.3440 1.4426 1.4426 1.4452 1.4452 1.6966 1.6966 1.7694 1.7694 1.7899 1.7899 1.8089 1.8089 1.9644 1.9644 2.2888 2.2888 2.2932 2.2932 2.3586 2.3586 2.3621 2.3621 2.3669 2.3669 2.4038 2.4038 2.4618 2.4618 2.4725 2.4725 2.5098 2.5098 2.5219 2.5219 2.5789 2.5789 2.5858 2.5858 2.6719 2.6719 2.6797 2.6797 2.7830 2.7830 2.7956 2.7956 2.7977 2.7977 3.2391 3.2391 4.0325 4.0325 4.0566 4.0566 4.1623 4.1623 5.3899 5.3899 5.3924 5.3924 5.5575 5.5575 5.5673 5.5673 5.5695 5.5695 8.9103 8.9103 8.9263 8.9263 9.6535 9.6535 9.9323 9.9323 9.9901 9.9901 k = 0.0543 0.0543 0.0543 ( 7692 PWs) bands (ev): -3.6540 -3.6540 -3.3423 -3.3423 1.1168 1.1168 1.1170 1.1170 1.1234 1.1234 1.3421 1.3421 1.3425 1.3425 1.3493 1.3493 1.4434 1.4434 1.4473 1.4473 1.6947 1.6947 1.7670 1.7670 1.7889 1.7889 1.8144 1.8144 1.9578 1.9578 2.2838 2.2838 2.2902 2.2902 2.3449 2.3449 2.3600 2.3600 2.3667 2.3667 2.4042 2.4042 2.4520 2.4520 2.4587 2.4587 2.5136 2.5136 2.5209 2.5209 2.5867 2.5867 2.5971 2.5971 2.6697 2.6697 2.6829 2.6829 2.7820 2.7820 2.7952 2.7952 2.7985 2.7985 3.2387 3.2387 3.9969 3.9969 4.0216 4.0216 4.1807 4.1807 5.4088 5.4088 5.4124 5.4124 5.5651 5.5651 5.5947 5.5947 5.5961 5.5961 8.8416 8.8416 8.8633 8.8633 9.5159 9.5159 9.9168 9.9168 9.9895 9.9895 k = 0.0652 0.0652 0.0652 ( 7686 PWs) bands (ev): -3.6495 -3.6495 -3.3436 -3.3436 1.1206 1.1206 1.1207 1.1207 1.1253 1.1253 1.3456 1.3456 1.3461 1.3461 1.3557 1.3557 1.4446 1.4446 1.4499 1.4499 1.6925 1.6925 1.7654 1.7654 1.7876 1.7876 1.8198 1.8198 1.9500 1.9500 2.2776 2.2776 2.2853 2.2853 2.3308 2.3308 2.3575 2.3575 2.3667 2.3667 2.4043 2.4043 2.4434 2.4434 2.4456 2.4456 2.5178 2.5178 2.5197 2.5197 2.5918 2.5918 2.6072 2.6072 2.6671 2.6671 2.6873 2.6873 2.7806 2.7806 2.7945 2.7945 2.7996 2.7996 3.2380 3.2380 3.9572 3.9572 3.9814 3.9814 4.2043 4.2043 5.4165 5.4165 5.4210 5.4210 5.5743 5.5743 5.6395 5.6395 5.6405 5.6405 8.7644 8.7644 8.7909 8.7909 9.3695 9.3695 9.9056 9.9056 9.9919 9.9919 k = 0.0761 0.0761 0.0761 ( 7688 PWs) bands (ev): -3.6442 -3.6442 -3.3451 -3.3451 1.1244 1.1244 1.1250 1.1250 1.1280 1.1280 1.3495 1.3495 1.3504 1.3504 1.3630 1.3630 1.4461 1.4461 1.4530 1.4530 1.6902 1.6902 1.7643 1.7643 1.7860 1.7860 1.8250 1.8250 1.9411 1.9411 2.2702 2.2702 2.2772 2.2772 2.3184 2.3184 2.3546 2.3546 2.3665 2.3665 2.4037 2.4037 2.4335 2.4335 2.4364 2.4364 2.5180 2.5180 2.5223 2.5223 2.5942 2.5942 2.6159 2.6159 2.6641 2.6641 2.6926 2.6926 2.7788 2.7788 2.7937 2.7937 2.8008 2.8008 3.2371 3.2371 3.9144 3.9144 3.9378 3.9378 4.2327 4.2327 5.4135 5.4135 5.4186 5.4186 5.5856 5.5856 5.6997 5.6997 5.7004 5.7004 8.6816 8.6816 8.7119 8.7119 9.2169 9.2169 9.8999 9.8999 9.9972 9.9972 k = 0.0870 0.0870 0.0870 ( 7691 PWs) bands (ev): -3.6382 -3.6382 -3.3468 -3.3468 1.1277 1.1277 1.1301 1.1301 1.1323 1.1323 1.3541 1.3541 1.3553 1.3553 1.3709 1.3709 1.4483 1.4483 1.4566 1.4566 1.6877 1.6877 1.7638 1.7638 1.7840 1.7840 1.8300 1.8300 1.9313 1.9313 2.2616 2.2616 2.2647 2.2647 2.3095 2.3095 2.3511 2.3511 2.3661 2.3661 2.4021 2.4021 2.4225 2.4225 2.4314 2.4314 2.5163 2.5163 2.5265 2.5265 2.5943 2.5943 2.6230 2.6230 2.6610 2.6610 2.6985 2.6985 2.7767 2.7767 2.7924 2.7924 2.8021 2.8021 3.2357 3.2357 3.8697 3.8697 3.8920 3.8920 4.2655 4.2655 5.4026 5.4026 5.4083 5.4083 5.5991 5.5991 5.7711 5.7711 5.7716 5.7716 8.5960 8.5960 8.6291 8.6291 9.0599 9.0599 9.8993 9.8993 10.0024 10.0024 k = 0.0978 0.0978 0.0978 ( 7685 PWs) bands (ev): -3.6315 -3.6315 -3.3487 -3.3487 1.1306 1.1306 1.1360 1.1360 1.1380 1.1380 1.3592 1.3592 1.3609 1.3609 1.3795 1.3795 1.4512 1.4512 1.4607 1.4607 1.6853 1.6853 1.7638 1.7638 1.7817 1.7817 1.8345 1.8345 1.9209 1.9209 2.2486 2.2486 2.2520 2.2520 2.3038 2.3038 2.3472 2.3472 2.3652 2.3652 2.3994 2.3994 2.4126 2.4126 2.4283 2.4283 2.5143 2.5143 2.5304 2.5304 2.5927 2.5927 2.6283 2.6283 2.6580 2.6580 2.7042 2.7042 2.7741 2.7741 2.7907 2.7907 2.8035 2.8035 3.2340 3.2340 3.8240 3.8240 3.8451 3.8451 4.3025 4.3025 5.3858 5.3858 5.3921 5.3921 5.6151 5.6151 5.8508 5.8508 5.8509 5.8509 8.5098 8.5098 8.5447 8.5447 8.8998 8.8998 9.9025 9.9025 10.0025 10.0025 k = 0.1087 0.1087 0.1087 ( 7691 PWs) bands (ev): -3.6242 -3.6242 -3.3507 -3.3507 1.1336 1.1336 1.1425 1.1425 1.1446 1.1446 1.3647 1.3647 1.3669 1.3669 1.3884 1.3884 1.4550 1.4550 1.4653 1.4653 1.6830 1.6830 1.7642 1.7642 1.7789 1.7789 1.8384 1.8384 1.9101 1.9101 2.2305 2.2305 2.2415 2.2415 2.2997 2.2997 2.3427 2.3427 2.3637 2.3637 2.3960 2.3960 2.4039 2.4039 2.4269 2.4269 2.5121 2.5121 2.5339 2.5339 2.5898 2.5898 2.6312 2.6312 2.6555 2.6555 2.7094 2.7094 2.7712 2.7712 2.7886 2.7886 2.8049 2.8049 3.2317 3.2317 3.7779 3.7779 3.7976 3.7976 4.3436 4.3436 5.3640 5.3640 5.3711 5.3711 5.6338 5.6338 5.9360 5.9360 5.9364 5.9364 8.4248 8.4248 8.4607 8.4607 8.7378 8.7378 9.9077 9.9077 9.9977 9.9977 k = 0.1196 0.1196 0.1196 ( 7679 PWs) bands (ev): -3.6162 -3.6162 -3.3528 -3.3528 1.1372 1.1372 1.1497 1.1497 1.1521 1.1521 1.3708 1.3708 1.3736 1.3736 1.3973 1.3973 1.4601 1.4601 1.4704 1.4704 1.6810 1.6810 1.7649 1.7649 1.7758 1.7758 1.8414 1.8414 1.8994 1.8994 2.2118 2.2118 2.2303 2.2303 2.2965 2.2965 2.3377 2.3377 2.3613 2.3613 2.3926 2.3926 2.3964 2.3964 2.4264 2.4264 2.5097 2.5097 2.5370 2.5370 2.5861 2.5861 2.6312 2.6312 2.6542 2.6542 2.7136 2.7136 2.7679 2.7679 2.7860 2.7860 2.8063 2.8063 3.2288 3.2288 3.7320 3.7320 3.7503 3.7503 4.3886 4.3886 5.3379 5.3379 5.3459 5.3459 5.6554 5.6554 6.0257 6.0257 6.0269 6.0269 8.3425 8.3425 8.3787 8.3787 8.5746 8.5746 9.9136 9.9136 9.9913 9.9913 k = 0.1304 0.1304 0.1304 ( 7667 PWs) bands (ev): -3.6078 -3.6078 -3.3551 -3.3551 1.1412 1.1412 1.1577 1.1577 1.1603 1.1603 1.3773 1.3773 1.3808 1.3808 1.4061 1.4061 1.4664 1.4664 1.4760 1.4760 1.6793 1.6793 1.7658 1.7658 1.7723 1.7723 1.8429 1.8429 1.8897 1.8897 2.1931 2.1931 2.2186 2.2186 2.2936 2.2936 2.3321 2.3321 2.3580 2.3580 2.3896 2.3896 2.3899 2.3899 2.4265 2.4265 2.5071 2.5071 2.5397 2.5397 2.5818 2.5818 2.6286 2.6286 2.6539 2.6539 2.7164 2.7164 2.7641 2.7641 2.7832 2.7832 2.8073 2.8073 3.2253 3.2253 3.6868 3.6868 3.7036 3.7036 4.4371 4.4371 5.3075 5.3075 5.3166 5.3166 5.6801 5.6801 6.1188 6.1188 6.1209 6.1209 8.2639 8.2639 8.2999 8.2999 8.4109 8.4109 9.9193 9.9193 9.9854 9.9854 k = 0.1413 0.1413 0.1413 ( 7670 PWs) bands (ev): -3.5988 -3.5988 -3.3574 -3.3574 1.1457 1.1457 1.1664 1.1664 1.1692 1.1692 1.3842 1.3842 1.3884 1.3884 1.4144 1.4144 1.4743 1.4743 1.4821 1.4821 1.6780 1.6780 1.7667 1.7667 1.7683 1.7683 1.8418 1.8418 1.8821 1.8821 2.1747 2.1747 2.2067 2.2067 2.2906 2.2906 2.3259 2.3259 2.3539 2.3539 2.3844 2.3844 2.3874 2.3874 2.4266 2.4266 2.5043 2.5043 2.5419 2.5419 2.5773 2.5773 2.6240 2.6240 2.6538 2.6538 2.7178 2.7178 2.7596 2.7596 2.7800 2.7800 2.8079 2.8079 3.2210 3.2210 3.6426 3.6426 3.6579 3.6579 4.4890 4.4890 5.2731 5.2731 5.2833 5.2833 5.7080 5.7080 6.2146 6.2146 6.2179 6.2179 8.1901 8.1901 8.2253 8.2253 8.2473 8.2473 9.9250 9.9250 9.9809 9.9809 k = 0.1522 0.1522 0.1522 ( 7685 PWs) bands (ev): -3.5894 -3.5894 -3.3597 -3.3597 1.1509 1.1509 1.1758 1.1758 1.1789 1.1789 1.3915 1.3915 1.3965 1.3965 1.4223 1.4223 1.4837 1.4837 1.4886 1.4886 1.6771 1.6771 1.7638 1.7638 1.7675 1.7675 1.8372 1.8372 1.8778 1.8778 2.1568 2.1568 2.1947 2.1947 2.2875 2.2875 2.3193 2.3193 2.3490 2.3490 2.3797 2.3797 2.3856 2.3856 2.4267 2.4267 2.5013 2.5013 2.5437 2.5437 2.5727 2.5727 2.6182 2.6182 2.6536 2.6536 2.7177 2.7177 2.7544 2.7544 2.7768 2.7768 2.8077 2.8077 3.2159 3.2159 3.5998 3.5998 3.6134 3.6134 4.5439 4.5439 5.2347 5.2347 5.2463 5.2463 5.7393 5.7393 6.3123 6.3123 6.3171 6.3171 8.0845 8.0845 8.1216 8.1216 8.1557 8.1557 9.9312 9.9312 9.9787 9.9787 k = 0.1630 0.1630 0.1630 ( 7679 PWs) bands (ev): -3.5796 -3.5796 -3.3621 -3.3621 1.1568 1.1568 1.1860 1.1860 1.1893 1.1893 1.3992 1.3992 1.4051 1.4051 1.4297 1.4297 1.4944 1.4944 1.4957 1.4957 1.6767 1.6767 1.7590 1.7590 1.7678 1.7678 1.8299 1.8299 1.8765 1.8765 2.1399 2.1399 2.1829 2.1829 2.2840 2.2840 2.3122 2.3122 2.3438 2.3438 2.3757 2.3757 2.3842 2.3842 2.4267 2.4267 2.4982 2.4982 2.5449 2.5449 2.5682 2.5682 2.6115 2.6115 2.6528 2.6528 2.7160 2.7160 2.7483 2.7483 2.7736 2.7736 2.8069 2.8069 3.2101 3.2101 3.5586 3.5586 3.5705 3.5705 4.6015 4.6015 5.1923 5.1923 5.2055 5.2055 5.7742 5.7742 6.4115 6.4115 6.4178 6.4178 7.9231 7.9231 8.0589 8.0589 8.0915 8.0915 9.9388 9.9388 9.9790 9.9790 k = 0.1739 0.1739 0.1739 ( 7679 PWs) bands (ev): -3.5695 -3.5695 -3.3644 -3.3644 1.1635 1.1635 1.1969 1.1969 1.2005 1.2005 1.4072 1.4072 1.4141 1.4141 1.4369 1.4369 1.5032 1.5032 1.5062 1.5062 1.6767 1.6767 1.7537 1.7537 1.7673 1.7673 1.8214 1.8214 1.8771 1.8771 2.1239 2.1239 2.1714 2.1714 2.2801 2.2801 2.3046 2.3046 2.3384 2.3384 2.3722 2.3722 2.3827 2.3827 2.4264 2.4264 2.4949 2.4949 2.5457 2.5457 2.5641 2.5641 2.6043 2.6043 2.6514 2.6514 2.7128 2.7128 2.7414 2.7414 2.7703 2.7703 2.8050 2.8050 3.2034 3.2034 3.5193 3.5193 3.5294 3.5294 4.6614 4.6614 5.1462 5.1462 5.1611 5.1611 5.8126 5.8126 6.5113 6.5113 6.5196 6.5196 7.7637 7.7637 8.0023 8.0023 8.0330 8.0330 9.9485 9.9485 9.9825 9.9825 k = 0.1848 0.1848 0.1848 ( 7670 PWs) bands (ev): -3.5592 -3.5592 -3.3667 -3.3667 1.1711 1.1711 1.2087 1.2087 1.2124 1.2124 1.4155 1.4155 1.4234 1.4234 1.4441 1.4441 1.5111 1.5111 1.5187 1.5187 1.6773 1.6773 1.7481 1.7481 1.7654 1.7654 1.8136 1.8136 1.8786 1.8786 2.1091 2.1091 2.1602 2.1602 2.2756 2.2756 2.2967 2.2967 2.3330 2.3330 2.3692 2.3692 2.3811 2.3811 2.4260 2.4260 2.4914 2.4914 2.5460 2.5460 2.5604 2.5604 2.5965 2.5965 2.6494 2.6494 2.7082 2.7082 2.7339 2.7339 2.7668 2.7668 2.8019 2.8019 3.1960 3.1960 3.4821 3.4821 3.4903 3.4903 4.7230 4.7230 5.0964 5.0964 5.1132 5.1132 5.8547 5.8547 6.6114 6.6114 6.6217 6.6217 7.6069 7.6069 7.9520 7.9520 7.9806 7.9806 9.9612 9.9612 9.9896 9.9896 k = 0.1957 0.1957 0.1957 ( 7655 PWs) bands (ev): -3.5487 -3.5487 -3.3690 -3.3690 1.1797 1.1797 1.2211 1.2211 1.2250 1.2250 1.4242 1.4242 1.4332 1.4332 1.4513 1.4513 1.5194 1.5194 1.5318 1.5318 1.6783 1.6783 1.7423 1.7423 1.7615 1.7615 1.8074 1.8074 1.8804 1.8804 2.0955 2.0955 2.1496 2.1496 2.2706 2.2706 2.2884 2.2884 2.3277 2.3277 2.3666 2.3666 2.3790 2.3790 2.4254 2.4254 2.4879 2.4879 2.5457 2.5457 2.5573 2.5573 2.5883 2.5883 2.6468 2.6468 2.7022 2.7022 2.7258 2.7258 2.7628 2.7628 2.7975 2.7975 3.1878 3.1878 3.4472 3.4472 3.4533 3.4533 4.7856 4.7856 5.0432 5.0432 5.0620 5.0620 5.9005 5.9005 6.7111 6.7111 6.7237 6.7237 7.4537 7.4537 7.9079 7.9079 7.9343 7.9343 9.9776 9.9776 10.0008 10.0008 k = 0.2065 0.2065 0.2065 ( 7661 PWs) bands (ev): -3.5381 -3.5381 -3.3711 -3.3711 1.1895 1.1895 1.2343 1.2343 1.2383 1.2383 1.4331 1.4331 1.4431 1.4431 1.4587 1.4587 1.5279 1.5279 1.5450 1.5450 1.6798 1.6798 1.7364 1.7364 1.7555 1.7555 1.8036 1.8036 1.8823 1.8823 2.0832 2.0832 2.1394 2.1394 2.2650 2.2650 2.2799 2.2799 2.3224 2.3224 2.3643 2.3643 2.3762 2.3762 2.4248 2.4248 2.4843 2.4843 2.5450 2.5450 2.5547 2.5547 2.5797 2.5797 2.6436 2.6436 2.6947 2.6947 2.7174 2.7174 2.7583 2.7583 2.7916 2.7916 3.1790 3.1790 3.4147 3.4147 3.4186 3.4186 4.8482 4.8482 4.9869 4.9869 5.0079 5.0079 5.9500 5.9500 6.8097 6.8097 6.8250 6.8250 7.3051 7.3051 7.8701 7.8701 7.8940 7.8940 9.9982 9.9982 10.0167 10.0167 k = 0.2174 0.2174 0.2174 ( 7679 PWs) bands (ev): -3.5274 -3.5274 -3.3732 -3.3732 1.2003 1.2003 1.2482 1.2482 1.2523 1.2523 1.4422 1.4422 1.4532 1.4532 1.4665 1.4665 1.5366 1.5366 1.5582 1.5582 1.6817 1.6817 1.7303 1.7303 1.7478 1.7478 1.8017 1.8017 1.8842 1.8842 2.0724 2.0724 2.1297 2.1297 2.2588 2.2588 2.2711 2.2711 2.3172 2.3172 2.3620 2.3620 2.3726 2.3726 2.4242 2.4242 2.4806 2.4806 2.5438 2.5438 2.5526 2.5526 2.5708 2.5708 2.6399 2.6399 2.6859 2.6859 2.7089 2.7089 2.7530 2.7530 2.7840 2.7840 3.1696 3.1696 3.3848 3.3848 3.3863 3.3863 4.9082 4.9082 4.9278 4.9278 4.9528 4.9528 6.0032 6.0032 6.9063 6.9063 6.9249 6.9249 7.1626 7.1626 7.8384 7.8384 7.8596 7.8596 10.0238 10.0238 10.0378 10.0378 k = 0.2283 0.2283 0.2283 ( 7673 PWs) bands (ev): -3.5168 -3.5168 -3.3751 -3.3751 1.2125 1.2125 1.2629 1.2629 1.2671 1.2671 1.4516 1.4516 1.4634 1.4634 1.4746 1.4746 1.5456 1.5456 1.5711 1.5711 1.6839 1.6839 1.7244 1.7244 1.7394 1.7394 1.8011 1.8011 1.8861 1.8861 2.0631 2.0631 2.1206 2.1206 2.2520 2.2520 2.2622 2.2622 2.3120 2.3120 2.3600 2.3600 2.3681 2.3681 2.4236 2.4236 2.4770 2.4770 2.5422 2.5422 2.5510 2.5510 2.5617 2.5617 2.6357 2.6357 2.6758 2.6758 2.7004 2.7004 2.7472 2.7472 2.7749 2.7749 3.1599 3.1599 3.3566 3.3566 3.3576 3.3576 4.8661 4.8661 4.8890 4.8890 4.9722 4.9722 6.0601 6.0601 6.9918 6.9918 7.0228 7.0228 7.0363 7.0363 7.8124 7.8124 7.8309 7.8309 10.0549 10.0549 10.0646 10.0646 k = 0.2391 0.2391 0.2391 ( 7673 PWs) bands (ev): -3.5062 -3.5062 -3.3769 -3.3769 1.2261 1.2261 1.2784 1.2784 1.2826 1.2826 1.4612 1.4612 1.4737 1.4737 1.4833 1.4833 1.5545 1.5545 1.5834 1.5834 1.6864 1.6864 1.7186 1.7186 1.7311 1.7311 1.8012 1.8012 1.8880 1.8880 2.0553 2.0553 2.1119 2.1119 2.2447 2.2447 2.2531 2.2531 2.3067 2.3067 2.3581 2.3581 2.3629 2.3629 2.4231 2.4231 2.4736 2.4736 2.5403 2.5403 2.5497 2.5497 2.5523 2.5523 2.6311 2.6311 2.6645 2.6645 2.6917 2.6917 2.7408 2.7408 2.7639 2.7639 3.1500 3.1500 3.3295 3.3295 3.3332 3.3332 4.8024 4.8024 4.8281 4.8281 5.0267 5.0267 6.1207 6.1207 6.8965 6.8965 7.0973 7.0973 7.1182 7.1182 7.7920 7.7920 7.8077 7.8077 10.0921 10.0921 10.0977 10.0977 k = 0.2500 0.2500 0.2500 ( 7679 PWs) bands (ev): -3.4958 -3.4958 -3.3786 -3.3786 1.2411 1.2411 1.2946 1.2946 1.2987 1.2987 1.4710 1.4710 1.4838 1.4838 1.4925 1.4925 1.5634 1.5634 1.5951 1.5951 1.6889 1.6889 1.7132 1.7132 1.7235 1.7235 1.8016 1.8016 1.8898 1.8898 2.0491 2.0491 2.1037 2.1037 2.2370 2.2370 2.2441 2.2441 2.3011 2.3011 2.3561 2.3561 2.3568 2.3568 2.4225 2.4225 2.4703 2.4703 2.5379 2.5379 2.5428 2.5428 2.5487 2.5487 2.6260 2.6260 2.6525 2.6525 2.6824 2.6824 2.7340 2.7340 2.7514 2.7514 3.1400 3.1400 3.3049 3.3049 3.3117 3.3117 4.7369 4.7369 4.7648 4.7648 5.0750 5.0750 6.1848 6.1848 6.7826 6.7826 7.1856 7.1856 7.2104 7.2104 7.7767 7.7767 7.7896 7.7896 10.1361 10.1361 10.1376 10.1376 k = 0.2609 0.2609 0.2609 ( 7667 PWs) bands (ev): -3.4855 -3.4855 -3.3800 -3.3800 1.2576 1.2576 1.3115 1.3115 1.3155 1.3155 1.4810 1.4810 1.4938 1.4938 1.5023 1.5023 1.5722 1.5722 1.6058 1.6058 1.6913 1.6913 1.7083 1.7083 1.7172 1.7172 1.8022 1.8022 1.8916 1.8916 2.0445 2.0445 2.0960 2.0960 2.2289 2.2289 2.2351 2.2351 2.2954 2.2954 2.3501 2.3501 2.3540 2.3540 2.4217 2.4217 2.4672 2.4672 2.5331 2.5331 2.5353 2.5353 2.5480 2.5480 2.6206 2.6206 2.6397 2.6397 2.6725 2.6725 2.7271 2.7271 2.7372 2.7372 3.1304 3.1304 3.2830 3.2830 3.2929 3.2929 4.6702 4.6702 4.7001 4.7001 5.1131 5.1131 6.2523 6.2523 6.6834 6.6834 7.2708 7.2708 7.2988 7.2988 7.7662 7.7662 7.7762 7.7762 10.1849 10.1849 10.1871 10.1871 k = 0.2717 0.2717 0.2717 ( 7667 PWs) bands (ev): -3.4756 -3.4756 -3.3813 -3.3813 1.2756 1.2756 1.3290 1.3290 1.3329 1.3329 1.4911 1.4911 1.5035 1.5035 1.5126 1.5126 1.5807 1.5807 1.6153 1.6153 1.6929 1.6929 1.7040 1.7040 1.7131 1.7131 1.8027 1.8027 1.8935 1.8935 2.0414 2.0414 2.0886 2.0886 2.2206 2.2206 2.2262 2.2262 2.2892 2.2892 2.3429 2.3429 2.3517 2.3517 2.4207 2.4207 2.4645 2.4645 2.5234 2.5234 2.5323 2.5323 2.5475 2.5475 2.6147 2.6147 2.6265 2.6265 2.6617 2.6617 2.7202 2.7202 2.7216 2.7216 3.1213 3.1213 3.2636 3.2636 3.2769 3.2769 4.6026 4.6026 4.6343 4.6343 5.1371 5.1371 6.3233 6.3233 6.6032 6.6032 7.3517 7.3517 7.3829 7.3829 7.7601 7.7601 7.7673 7.7673 10.2400 10.2400 10.2458 10.2458 k = 0.2826 0.2826 0.2826 ( 7673 PWs) bands (ev): -3.4660 -3.4660 -3.3824 -3.3824 1.2951 1.2951 1.3472 1.3472 1.3509 1.3509 1.5013 1.5013 1.5132 1.5132 1.5232 1.5232 1.5887 1.5887 1.6234 1.6234 1.6935 1.6935 1.7006 1.7006 1.7118 1.7118 1.8030 1.8030 1.8955 1.8955 2.0397 2.0397 2.0815 2.0815 2.2122 2.2122 2.2176 2.2176 2.2826 2.2826 2.3353 2.3353 2.3491 2.3491 2.4193 2.4193 2.4619 2.4619 2.5138 2.5138 2.5291 2.5291 2.5470 2.5470 2.6083 2.6083 2.6129 2.6129 2.6498 2.6498 2.7047 2.7047 2.7137 2.7137 3.1129 3.1129 3.2468 3.2468 3.2635 3.2635 4.5344 4.5344 4.5678 4.5678 5.1430 5.1430 6.3975 6.3975 6.5463 6.5463 7.4280 7.4280 7.4621 7.4621 7.7580 7.7580 7.7623 7.7623 10.3034 10.3034 10.3122 10.3122 k = 0.2935 0.2935 0.2935 ( 7676 PWs) bands (ev): -3.4567 -3.4567 -3.3833 -3.3833 1.3161 1.3161 1.3661 1.3661 1.3695 1.3695 1.5115 1.5115 1.5228 1.5228 1.5339 1.5339 1.5962 1.5962 1.6297 1.6297 1.6938 1.6938 1.6980 1.6980 1.7128 1.7128 1.8031 1.8031 1.8976 1.8976 2.0392 2.0392 2.0748 2.0748 2.2037 2.2037 2.2093 2.2093 2.2755 2.2755 2.3275 2.3275 2.3461 2.3461 2.4175 2.4175 2.4596 2.4596 2.5042 2.5042 2.5256 2.5256 2.5466 2.5466 2.5991 2.5991 2.6015 2.6015 2.6368 2.6368 2.6868 2.6868 2.7076 2.7076 3.1053 3.1053 3.2326 3.2326 3.2528 3.2528 4.4662 4.4662 4.5011 4.5011 5.1279 5.1279 6.4748 6.4748 6.5157 6.5157 7.4992 7.4992 7.5361 7.5361 7.7595 7.7595 7.7610 7.7610 10.3752 10.3752 10.3867 10.3867 k = 0.3043 0.3043 0.3043 ( 7676 PWs) bands (ev): -3.4479 -3.4479 -3.3840 -3.3840 1.3386 1.3386 1.3854 1.3854 1.3886 1.3886 1.5218 1.5218 1.5324 1.5324 1.5448 1.5448 1.6030 1.6030 1.6340 1.6340 1.6949 1.6949 1.6965 1.6965 1.7153 1.7153 1.8030 1.8030 1.8998 1.8998 2.0398 2.0398 2.0683 2.0683 2.1955 2.1955 2.2015 2.2015 2.2680 2.2680 2.3195 2.3195 2.3426 2.3426 2.4153 2.4153 2.4572 2.4572 2.4947 2.4947 2.5220 2.5220 2.5462 2.5462 2.5853 2.5853 2.5940 2.5940 2.6229 2.6229 2.6684 2.6684 2.7021 2.7021 3.0989 3.0989 3.2211 3.2211 3.2445 3.2445 4.3981 4.3981 4.4345 4.4345 5.0908 5.0908 6.5120 6.5120 6.5553 6.5553 7.5651 7.5651 7.6045 7.6045 7.7629 7.7629 7.7642 7.7642 10.4557 10.4557 10.4690 10.4690 k = 0.3152 0.3152 0.3152 ( 7685 PWs) bands (ev): -3.4395 -3.4395 -3.3845 -3.3845 1.3623 1.3623 1.4053 1.4053 1.4081 1.4081 1.5320 1.5320 1.5419 1.5419 1.5555 1.5555 1.6091 1.6091 1.6366 1.6366 1.6959 1.6959 1.6976 1.6976 1.7182 1.7182 1.8028 1.8028 1.9023 1.9023 2.0412 2.0412 2.0621 2.0621 2.1875 2.1875 2.1943 2.1943 2.2600 2.2600 2.3113 2.3113 2.3384 2.3384 2.4128 2.4128 2.4548 2.4548 2.4853 2.4853 2.5183 2.5183 2.5456 2.5456 2.5716 2.5716 2.5858 2.5858 2.6081 2.6081 2.6497 2.6497 2.6971 2.6971 3.0936 3.0936 3.2122 3.2122 3.2386 3.2386 4.3306 4.3306 4.3682 4.3682 5.0336 5.0336 6.5339 6.5339 6.6385 6.6385 7.6254 7.6254 7.6670 7.6670 7.7677 7.7677 7.7718 7.7718 10.5450 10.5450 10.5581 10.5581 k = 0.3261 0.3261 0.3261 ( 7673 PWs) bands (ev): -3.4316 -3.4316 -3.3848 -3.3848 1.3873 1.3873 1.4256 1.4256 1.4280 1.4280 1.5422 1.5422 1.5514 1.5514 1.5661 1.5661 1.6146 1.6146 1.6379 1.6379 1.6964 1.6964 1.7019 1.7019 1.7213 1.7213 1.8024 1.8024 1.9051 1.9051 2.0429 2.0429 2.0562 2.0562 2.1801 2.1801 2.1877 2.1877 2.2517 2.2517 2.3031 2.3031 2.3336 2.3336 2.4099 2.4099 2.4520 2.4520 2.4761 2.4761 2.5143 2.5143 2.5447 2.5447 2.5585 2.5585 2.5766 2.5766 2.5930 2.5930 2.6315 2.6315 2.6927 2.6927 3.0897 3.0897 3.2062 3.2062 3.2350 3.2350 4.2640 4.2640 4.3026 4.3026 4.9597 4.9597 6.5776 6.5776 6.7244 6.7244 7.6802 7.6802 7.7236 7.7236 7.7750 7.7750 7.7819 7.7819 10.6428 10.6428 10.6483 10.6483 k = 0.3370 0.3370 0.3370 ( 7676 PWs) bands (ev): -3.4242 -3.4242 -3.3849 -3.3849 1.4131 1.4131 1.4461 1.4461 1.4483 1.4483 1.5523 1.5523 1.5608 1.5608 1.5765 1.5765 1.6195 1.6195 1.6385 1.6385 1.6977 1.6977 1.7072 1.7072 1.7243 1.7243 1.8018 1.8018 1.9083 1.9083 2.0446 2.0446 2.0506 2.0506 2.1735 2.1735 2.1820 2.1820 2.2431 2.2431 2.2947 2.2947 2.3278 2.3278 2.4066 2.4066 2.4489 2.4489 2.4669 2.4669 2.5098 2.5098 2.5422 2.5422 2.5478 2.5478 2.5659 2.5659 2.5778 2.5778 2.6145 2.6145 2.6885 2.6885 3.0871 3.0871 3.2030 3.2030 3.2336 3.2336 4.1985 4.1985 4.2379 4.2379 4.8732 4.8732 6.6391 6.6391 6.8129 6.8129 7.7293 7.7293 7.7734 7.7734 7.7845 7.7845 7.7952 7.7952 10.6748 10.6748 10.7480 10.7480 k = 0.3478 0.3478 0.3478 ( 7682 PWs) bands (ev): -3.4174 -3.4174 -3.3849 -3.3849 1.4395 1.4395 1.4668 1.4668 1.4688 1.4688 1.5621 1.5621 1.5699 1.5699 1.5865 1.5865 1.6240 1.6240 1.6390 1.6390 1.6996 1.6996 1.7130 1.7130 1.7273 1.7273 1.8013 1.8013 1.9121 1.9121 2.0453 2.0453 2.0459 2.0459 2.1678 2.1678 2.1773 2.1773 2.2344 2.2344 2.2862 2.2862 2.3212 2.3212 2.4030 2.4030 2.4453 2.4453 2.4575 2.4575 2.5041 2.5041 2.5341 2.5341 2.5437 2.5437 2.5536 2.5536 2.5631 2.5631 2.5993 2.5993 2.6846 2.6846 3.0862 3.0862 3.2028 3.2028 3.2342 3.2342 4.1344 4.1344 4.1743 4.1743 4.7779 4.7779 6.7145 6.7145 6.9036 6.9036 7.7725 7.7725 7.7963 7.7963 7.8042 7.8042 7.8233 7.8233 10.5896 10.5896 10.6412 10.6412 k = 0.3587 0.3587 0.3587 ( 7685 PWs) bands (ev): -3.4111 -3.4111 -3.3846 -3.3846 1.4661 1.4661 1.4875 1.4875 1.4896 1.4896 1.5717 1.5717 1.5789 1.5789 1.5962 1.5962 1.6285 1.6285 1.6398 1.6398 1.7017 1.7017 1.7185 1.7185 1.7307 1.7307 1.8007 1.8007 1.9165 1.9165 2.0406 2.0406 2.0465 2.0465 2.1630 2.1630 2.1735 2.1735 2.2258 2.2258 2.2776 2.2776 2.3136 2.3136 2.3988 2.3988 2.4411 2.4411 2.4477 2.4477 2.4967 2.4967 2.5265 2.5265 2.5395 2.5395 2.5400 2.5400 2.5511 2.5511 2.5862 2.5862 2.6809 2.6809 3.0872 3.0872 3.2056 3.2056 3.2370 3.2370 4.0719 4.0719 4.1121 4.1121 4.6768 4.6768 6.8007 6.8007 6.9964 6.9964 7.8042 7.8042 7.8160 7.8160 7.8206 7.8206 7.8618 7.8618 10.4852 10.4852 10.5194 10.5194 k = 0.3696 0.3696 0.3696 ( 7685 PWs) bands (ev): -3.4053 -3.4053 -3.3842 -3.3842 1.4922 1.4922 1.5079 1.5079 1.5108 1.5108 1.5810 1.5810 1.5875 1.5875 1.6053 1.6053 1.6330 1.6330 1.6412 1.6412 1.7039 1.7039 1.7223 1.7223 1.7356 1.7356 1.8002 1.8002 1.9217 1.9217 2.0366 2.0366 2.0462 2.0462 2.1592 2.1592 2.1708 2.1708 2.2176 2.2176 2.2689 2.2689 2.3049 2.3049 2.3936 2.3936 2.4363 2.4363 2.4368 2.4368 2.4881 2.4881 2.5209 2.5209 2.5261 2.5261 2.5297 2.5297 2.5459 2.5459 2.5750 2.5750 2.6770 2.6770 3.0905 3.0905 3.2114 3.2114 3.2418 3.2418 4.0112 4.0112 4.0515 4.0515 4.5725 4.5725 6.8952 6.8952 7.0909 7.0909 7.8201 7.8201 7.8369 7.8369 7.8476 7.8476 7.8962 7.8962 10.3734 10.3734 10.3946 10.3946 k = 0.3804 0.3804 0.3804 ( 7691 PWs) bands (ev): -3.4002 -3.4002 -3.3837 -3.3837 1.5168 1.5168 1.5279 1.5279 1.5329 1.5329 1.5900 1.5900 1.5958 1.5958 1.6138 1.6138 1.6377 1.6377 1.6435 1.6435 1.7058 1.7058 1.7240 1.7240 1.7422 1.7422 1.7996 1.7996 1.9281 1.9281 2.0335 2.0335 2.0448 2.0448 2.1559 2.1559 2.1693 2.1693 2.2100 2.2100 2.2602 2.2602 2.2952 2.2952 2.3871 2.3871 2.4244 2.4244 2.4309 2.4309 2.4800 2.4800 2.5131 2.5131 2.5141 2.5141 2.5205 2.5205 2.5439 2.5439 2.5651 2.5651 2.6730 2.6730 3.0964 3.0964 3.2200 3.2200 3.2487 3.2487 3.9525 3.9525 3.9926 3.9926 4.4668 4.4668 6.9959 6.9959 7.1869 7.1869 7.8349 7.8349 7.8537 7.8537 7.8766 7.8766 7.9258 7.9258 10.2559 10.2559 10.2695 10.2695 k = 0.3913 0.3913 0.3913 ( 7700 PWs) bands (ev): -3.3956 -3.3956 -3.3830 -3.3830 1.5389 1.5389 1.5469 1.5469 1.5558 1.5558 1.5988 1.5988 1.6037 1.6037 1.6216 1.6216 1.6427 1.6427 1.6467 1.6467 1.7073 1.7073 1.7240 1.7240 1.7500 1.7500 1.7992 1.7992 1.9356 1.9356 2.0314 2.0314 2.0426 2.0426 2.1525 2.1525 2.1690 2.1690 2.2032 2.2032 2.2515 2.2515 2.2844 2.2844 2.3786 2.3786 2.4099 2.4099 2.4254 2.4254 2.4734 2.4734 2.5022 2.5022 2.5027 2.5027 2.5171 2.5171 2.5427 2.5427 2.5561 2.5561 2.6685 2.6685 3.1056 3.1056 3.2314 3.2314 3.2575 3.2575 3.8960 3.8960 3.9355 3.9355 4.3610 4.3610 7.1011 7.1011 7.2838 7.2838 7.8500 7.8500 7.8709 7.8709 7.9014 7.9014 7.9508 7.9508 10.1338 10.1338 10.1460 10.1460 k = 0.4022 0.4022 0.4022 ( 7694 PWs) bands (ev): -3.3915 -3.3915 -3.3823 -3.3823 1.5588 1.5588 1.5649 1.5649 1.5789 1.5789 1.6075 1.6075 1.6111 1.6111 1.6286 1.6286 1.6479 1.6479 1.6509 1.6509 1.7082 1.7082 1.7230 1.7230 1.7582 1.7582 1.7988 1.7988 1.9445 1.9445 2.0308 2.0308 2.0400 2.0400 2.1485 2.1485 2.1698 2.1698 2.1974 2.1974 2.2432 2.2432 2.2727 2.2727 2.3676 2.3676 2.3935 2.3935 2.4205 2.4205 2.4688 2.4688 2.4914 2.4914 2.4938 2.4938 2.5151 2.5151 2.5420 2.5420 2.5477 2.5477 2.6635 2.6635 3.1186 3.1186 3.2455 3.2455 3.2684 3.2684 3.8416 3.8416 3.8803 3.8803 4.2563 4.2563 7.2095 7.2095 7.3810 7.3810 7.8653 7.8653 7.8881 7.8881 7.9223 7.9223 7.9716 7.9716 10.0097 10.0097 10.0238 10.0238 k = 0.4130 0.4130 0.4130 ( 7691 PWs) bands (ev): -3.3880 -3.3880 -3.3815 -3.3815 1.5768 1.5768 1.5811 1.5811 1.6007 1.6007 1.6163 1.6163 1.6183 1.6183 1.6348 1.6348 1.6532 1.6532 1.6560 1.6560 1.7084 1.7084 1.7210 1.7210 1.7666 1.7666 1.7986 1.7986 1.9549 1.9549 2.0317 2.0317 2.0374 2.0374 2.1435 2.1435 2.1716 2.1716 2.1921 2.1921 2.2357 2.2357 2.2602 2.2602 2.3543 2.3543 2.3756 2.3756 2.4167 2.4167 2.4657 2.4657 2.4815 2.4815 2.4878 2.4878 2.5133 2.5133 2.5397 2.5397 2.5421 2.5421 2.6578 2.6578 3.1358 3.1358 3.2621 3.2621 3.2814 3.2814 3.7896 3.7896 3.8271 3.8271 4.1536 4.1536 7.3196 7.3196 7.4778 7.4778 7.8806 7.8806 7.9053 7.9053 7.9394 7.9394 7.9884 7.9884 9.8866 9.8866 9.9024 9.9024 k = 0.4239 0.4239 0.4239 ( 7688 PWs) bands (ev): -3.3851 -3.3851 -3.3806 -3.3806 1.5931 1.5931 1.5953 1.5953 1.6195 1.6195 1.6256 1.6256 1.6258 1.6258 1.6406 1.6406 1.6584 1.6584 1.6615 1.6615 1.7080 1.7080 1.7184 1.7184 1.7749 1.7749 1.7986 1.7986 1.9668 1.9668 2.0345 2.0345 2.0351 2.0351 2.1375 2.1375 2.1743 2.1743 2.1865 2.1865 2.2296 2.2296 2.2469 2.2469 2.3393 2.3393 2.3569 2.3569 2.4141 2.4141 2.4621 2.4621 2.4747 2.4747 2.4839 2.4839 2.5115 2.5115 2.5322 2.5322 2.5430 2.5430 2.6512 2.6512 3.1577 3.1577 3.2812 3.2812 3.2963 3.2963 3.7400 3.7400 3.7759 3.7759 4.0535 4.0535 7.4300 7.4300 7.5731 7.5731 7.8958 7.8958 7.9221 7.9221 7.9532 7.9532 8.0016 8.0016 9.7664 9.7664 9.7826 9.7826 k = 0.4348 0.4348 0.4348 ( 7682 PWs) bands (ev): -3.3826 -3.3826 -3.3798 -3.3798 1.6072 1.6072 1.6077 1.6077 1.6294 1.6294 1.6350 1.6350 1.6391 1.6391 1.6459 1.6459 1.6632 1.6632 1.6671 1.6671 1.7069 1.7069 1.7151 1.7151 1.7827 1.7827 1.7990 1.7990 1.9801 1.9801 2.0336 2.0336 2.0395 2.0395 2.1307 2.1307 2.1772 2.1772 2.1797 2.1797 2.2253 2.2253 2.2334 2.2334 2.3234 2.3234 2.3380 2.3380 2.4125 2.4125 2.4559 2.4559 2.4729 2.4729 2.4817 2.4817 2.5094 2.5094 2.5250 2.5250 2.5452 2.5452 2.6437 2.6437 3.1848 3.1848 3.3025 3.3025 3.3134 3.3134 3.6928 3.6928 3.7269 3.7269 3.9567 3.9567 7.5388 7.5388 7.6653 7.6653 7.9107 7.9107 7.9382 7.9382 7.9639 7.9639 8.0113 8.0113 9.6510 9.6510 9.6661 9.6661 k = 0.4457 0.4457 0.4457 ( 7682 PWs) bands (ev): -3.3806 -3.3806 -3.3789 -3.3789 1.6172 1.6172 1.6204 1.6204 1.6355 1.6355 1.6439 1.6439 1.6502 1.6502 1.6534 1.6534 1.6677 1.6677 1.6724 1.6724 1.7054 1.7054 1.7114 1.7114 1.7897 1.7897 1.7999 1.7999 1.9943 1.9943 2.0331 2.0331 2.0467 2.0467 2.1236 2.1236 2.1711 2.1711 2.1789 2.1789 2.2214 2.2214 2.2233 2.2233 2.3074 2.3074 2.3194 2.3194 2.4120 2.4120 2.4486 2.4486 2.4743 2.4743 2.4808 2.4808 2.5070 2.5070 2.5182 2.5182 2.5486 2.5486 2.6354 2.6354 3.2174 3.2174 3.3261 3.3261 3.3326 3.3326 3.6481 3.6481 3.6800 3.6800 3.8637 3.8637 7.6440 7.6440 7.7519 7.7519 7.9256 7.9256 7.9535 7.9535 7.9718 7.9718 8.0178 8.0178 9.5423 9.5423 9.5553 9.5553 k = 0.4565 0.4565 0.4565 ( 7670 PWs) bands (ev): -3.3790 -3.3790 -3.3782 -3.3782 1.6257 1.6257 1.6309 1.6309 1.6410 1.6410 1.6511 1.6511 1.6549 1.6549 1.6639 1.6639 1.6721 1.6721 1.6772 1.6772 1.7036 1.7036 1.7073 1.7073 1.7955 1.7955 1.8015 1.8015 2.0090 2.0090 2.0341 2.0341 2.0563 2.0563 2.1167 2.1167 2.1608 2.1608 2.1756 2.1756 2.2146 2.2146 2.2234 2.2234 2.2919 2.2919 2.3017 2.3017 2.4123 2.4123 2.4416 2.4416 2.4770 2.4770 2.4812 2.4812 2.5042 2.5042 2.5118 2.5118 2.5536 2.5536 2.6263 2.6263 3.2557 3.2557 3.3519 3.3519 3.3539 3.3539 3.6059 3.6059 3.6352 3.6352 3.7749 3.7749 7.7424 7.7424 7.8292 7.8292 7.9413 7.9413 7.9678 7.9678 7.9773 7.9773 8.0214 8.0214 9.4430 9.4430 9.4533 9.4533 k = 0.4674 0.4674 0.4674 ( 7667 PWs) bands (ev): -3.3779 -3.3779 -3.3775 -3.3775 1.6332 1.6332 1.6389 1.6389 1.6459 1.6459 1.6552 1.6552 1.6592 1.6592 1.6712 1.6712 1.6770 1.6770 1.6814 1.6814 1.7015 1.7015 1.7031 1.7031 1.7998 1.7998 1.8035 1.8035 2.0230 2.0230 2.0363 2.0363 2.0681 2.0681 2.1108 2.1108 2.1492 2.1492 2.1646 2.1646 2.2158 2.2158 2.2254 2.2254 2.2773 2.2773 2.2851 2.2851 2.4133 2.4133 2.4353 2.4353 2.4803 2.4803 2.4825 2.4825 2.5013 2.5013 2.5059 2.5059 2.5600 2.5600 2.6166 2.6166 3.2999 3.2999 3.3774 3.3774 3.3798 3.3798 3.5661 3.5661 3.5926 3.5926 3.6909 3.6909 7.8297 7.8297 7.8902 7.8902 7.9604 7.9604 7.9808 7.9808 7.9813 7.9813 8.0222 8.0222 9.3569 9.3569 9.3644 9.3644 k = 0.4783 0.4783 0.4783 ( 7664 PWs) bands (ev): -3.3771 -3.3771 -3.3770 -3.3770 1.6398 1.6398 1.6446 1.6446 1.6496 1.6496 1.6561 1.6561 1.6638 1.6638 1.6750 1.6750 1.6824 1.6824 1.6853 1.6853 1.6989 1.6989 1.6990 1.6990 1.8027 1.8027 1.8054 1.8054 2.0349 2.0349 2.0396 2.0396 2.0820 2.0820 2.1072 2.1072 2.1369 2.1369 2.1490 2.1490 2.2224 2.2224 2.2294 2.2294 2.2641 2.2641 2.2697 2.2697 2.4152 2.4152 2.4298 2.4298 2.4839 2.4839 2.4846 2.4846 2.4981 2.4981 2.5004 2.5004 2.5677 2.5677 2.6065 2.6065 3.3501 3.3501 3.4031 3.4031 3.4097 3.4097 3.5287 3.5287 3.5522 3.5522 3.6120 3.6120 7.8988 7.8988 7.9264 7.9264 7.9856 7.9856 7.9866 7.9866 7.9924 7.9924 8.0206 8.0206 9.2890 9.2890 9.2940 9.2940 k = 0.4891 0.4891 0.4891 ( 7664 PWs) bands (ev): -3.3767 -3.3767 -3.3767 -3.3767 1.6457 1.6457 1.6484 1.6484 1.6511 1.6511 1.6543 1.6543 1.6687 1.6687 1.6754 1.6754 1.6875 1.6875 1.6888 1.6888 1.6954 1.6954 1.6959 1.6959 1.8048 1.8048 1.8063 1.8063 2.0423 2.0423 2.0432 2.0432 2.0975 2.0975 2.1080 2.1080 2.1247 2.1247 2.1318 2.1318 2.2317 2.2317 2.2352 2.2352 2.2526 2.2526 2.2556 2.2556 2.4177 2.4177 2.4250 2.4250 2.4876 2.4876 2.4876 2.4876 2.4947 2.4947 2.4955 2.4955 2.5765 2.5765 2.5962 2.5962 3.4059 3.4059 3.4310 3.4310 3.4412 3.4412 3.4938 3.4938 3.5142 3.5142 3.5390 3.5390 7.9384 7.9384 7.9428 7.9428 7.9972 7.9972 8.0023 8.0023 8.0075 8.0075 8.0166 8.0166 9.2452 9.2452 9.2477 9.2477 k = 0.5000 0.5000 0.5000 ( 7664 PWs) bands (ev): -3.3765 -3.3765 -3.3765 -3.3765 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6729 1.6729 1.6729 1.6729 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.8061 1.8061 1.8061 1.8061 2.0447 2.0447 2.0447 2.0447 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.4210 2.4210 2.4210 2.4210 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.5861 2.5861 2.5861 2.5861 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4850 3.4850 3.4850 3.4850 7.9479 7.9479 7.9479 7.9479 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 9.2307 9.2307 9.2307 9.2307 k = 0.5000 0.5000 0.5000 ( 7664 PWs) bands (ev): -3.3765 -3.3765 -3.3765 -3.3765 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6729 1.6729 1.6729 1.6729 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.8061 1.8061 1.8061 1.8061 2.0447 2.0447 2.0447 2.0447 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.4210 2.4210 2.4210 2.4210 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.5861 2.5861 2.5861 2.5861 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4850 3.4850 3.4850 3.4850 7.9479 7.9479 7.9479 7.9479 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 9.2307 9.2307 9.2307 9.2307 k = 0.4868 0.5000 0.4868 ( 7664 PWs) bands (ev): -3.3767 -3.3767 -3.3767 -3.3767 1.6457 1.6457 1.6484 1.6484 1.6512 1.6512 1.6542 1.6542 1.6686 1.6686 1.6755 1.6755 1.6876 1.6876 1.6891 1.6891 1.6945 1.6945 1.6965 1.6965 1.8049 1.8049 1.8063 1.8063 2.0424 2.0424 2.0431 2.0431 2.0980 2.0980 2.1083 2.1083 2.1228 2.1228 2.1328 2.1328 2.2311 2.2311 2.2366 2.2366 2.2507 2.2507 2.2567 2.2567 2.4177 2.4177 2.4249 2.4249 2.4872 2.4872 2.4882 2.4882 2.4943 2.4943 2.4958 2.4958 2.5766 2.5766 2.5961 2.5961 3.4134 3.4134 3.4142 3.4142 3.4674 3.4674 3.4706 3.4706 3.5280 3.5280 3.5313 3.5313 7.9398 7.9398 7.9417 7.9417 7.9981 7.9981 7.9982 7.9982 8.0137 8.0137 8.0139 8.0139 9.2448 9.2448 9.2473 9.2473 k = 0.4737 0.5000 0.4737 ( 7664 PWs) bands (ev): -3.3771 -3.3771 -3.3770 -3.3770 1.6398 1.6398 1.6448 1.6448 1.6499 1.6499 1.6559 1.6559 1.6631 1.6631 1.6751 1.6751 1.6837 1.6837 1.6851 1.6851 1.6967 1.6967 1.7010 1.7010 1.8028 1.8028 1.8054 1.8054 2.0372 2.0372 2.0374 2.0374 2.0853 2.0853 2.1048 2.1048 2.1328 2.1328 2.1520 2.1520 2.2214 2.2214 2.2317 2.2317 2.2597 2.2597 2.2723 2.2723 2.4152 2.4152 2.4296 2.4296 2.4838 2.4838 2.4853 2.4853 2.4971 2.4971 2.5009 2.5009 2.5679 2.5679 2.6062 2.6062 3.3642 3.3642 3.3646 3.3646 3.4684 3.4684 3.4755 3.4755 3.5890 3.5890 3.5932 3.5932 7.9097 7.9097 7.9135 7.9135 7.9814 7.9814 7.9817 7.9817 8.0134 8.0134 8.0138 8.0138 9.2876 9.2876 9.2924 9.2924 k = 0.4605 0.5000 0.4605 ( 7674 PWs) bands (ev): -3.3777 -3.3777 -3.3777 -3.3777 1.6329 1.6329 1.6399 1.6399 1.6454 1.6454 1.6552 1.6552 1.6577 1.6577 1.6694 1.6694 1.6801 1.6801 1.6827 1.6827 1.6992 1.6992 1.7052 1.7052 1.8003 1.8003 1.8034 1.8034 2.0277 2.0277 2.0310 2.0310 2.0766 2.0766 2.1032 2.1032 2.1430 2.1430 2.1707 2.1707 2.2140 2.2140 2.2287 2.2287 2.2697 2.2697 2.2895 2.2895 2.4134 2.4134 2.4350 2.4350 2.4812 2.4812 2.4828 2.4828 2.4995 2.4995 2.5063 2.5063 2.5604 2.5604 2.6163 2.6163 3.3187 3.3187 3.3187 3.3187 3.4711 3.4711 3.4820 3.4820 3.6545 3.6545 3.6596 3.6596 7.8515 7.8515 7.8562 7.8562 7.9693 7.9693 7.9695 7.9695 8.0122 8.0122 8.0129 8.0129 9.3539 9.3539 9.3608 9.3608 k = 0.4474 0.5000 0.4474 ( 7668 PWs) bands (ev): -3.3786 -3.3786 -3.3785 -3.3785 1.6242 1.6242 1.6337 1.6337 1.6374 1.6374 1.6516 1.6516 1.6539 1.6539 1.6598 1.6598 1.6744 1.6744 1.6836 1.6836 1.7019 1.7019 1.7093 1.7093 1.7977 1.7977 1.8005 1.8005 2.0166 2.0166 2.0243 2.0243 2.0710 2.0710 2.1029 2.1029 2.1523 2.1523 2.1874 2.1874 2.2094 2.2094 2.2282 2.2282 2.2805 2.2805 2.3080 2.3080 2.4123 2.4123 2.4411 2.4411 2.4795 2.4795 2.4811 2.4811 2.5015 2.5015 2.5122 2.5122 2.5545 2.5545 2.6260 2.6260 3.2769 3.2769 3.2769 3.2769 3.4759 3.4759 3.4903 3.4903 3.7239 3.7239 3.7300 3.7300 7.7730 7.7730 7.7782 7.7782 7.9582 7.9582 7.9587 7.9587 8.0115 8.0115 8.0122 8.0122 9.4379 9.4379 9.4464 9.4464 k = 0.4342 0.5000 0.4342 ( 7670 PWs) bands (ev): -3.3797 -3.3797 -3.3797 -3.3797 1.6122 1.6122 1.6260 1.6260 1.6282 1.6282 1.6425 1.6425 1.6505 1.6505 1.6508 1.6508 1.6685 1.6685 1.6849 1.6849 1.7046 1.7046 1.7128 1.7128 1.7952 1.7952 1.7970 1.7970 2.0056 2.0056 2.0178 2.0178 2.0676 2.0676 2.1033 2.1033 2.1593 2.1593 2.2002 2.2002 2.2081 2.2081 2.2318 2.2318 2.2916 2.2916 2.3271 2.3271 2.4120 2.4120 2.4472 2.4472 2.4789 2.4789 2.4809 2.4809 2.5030 2.5030 2.5184 2.5184 2.5503 2.5503 2.6351 2.6351 3.2389 3.2389 3.2395 3.2395 3.4827 3.4827 3.5004 3.5004 3.7971 3.7971 3.8039 3.8039 7.6818 7.6818 7.6871 7.6871 7.9451 7.9451 7.9460 7.9460 8.0116 8.0116 8.0123 8.0123 9.5342 9.5342 9.5443 9.5443 k = 0.4211 0.5000 0.4211 ( 7670 PWs) bands (ev): -3.3810 -3.3810 -3.3810 -3.3810 1.5959 1.5959 1.6148 1.6148 1.6199 1.6199 1.6294 1.6294 1.6439 1.6439 1.6462 1.6462 1.6633 1.6633 1.6863 1.6863 1.7068 1.7068 1.7157 1.7157 1.7931 1.7931 1.7933 1.7933 1.9957 1.9957 2.0119 2.0119 2.0658 2.0658 2.1041 2.1041 2.1632 2.1632 2.2076 2.2076 2.2103 2.2103 2.2410 2.2410 2.3025 2.3025 2.3459 2.3459 2.4125 2.4125 2.4525 2.4525 2.4799 2.4799 2.4833 2.4833 2.5044 2.5044 2.5248 2.5248 2.5480 2.5480 2.6436 2.6436 3.2044 3.2044 3.2062 3.2062 3.4916 3.4916 3.5124 3.5124 3.8736 3.8736 3.8813 3.8813 7.5824 7.5824 7.5879 7.5879 7.9292 7.9292 7.9303 7.9303 8.0129 8.0129 8.0134 8.0134 9.6387 9.6387 9.6502 9.6502 k = 0.4079 0.5000 0.4079 ( 7680 PWs) bands (ev): -3.3826 -3.3826 -3.3826 -3.3826 1.5760 1.5760 1.5970 1.5970 1.6125 1.6125 1.6187 1.6187 1.6368 1.6368 1.6400 1.6400 1.6598 1.6598 1.6874 1.6874 1.7084 1.7084 1.7174 1.7174 1.7896 1.7896 1.7915 1.7915 1.9870 1.9870 2.0063 2.0063 2.0656 2.0656 2.1052 2.1052 2.1645 2.1645 2.2115 2.2115 2.2155 2.2155 2.2536 2.2536 2.3127 2.3127 2.3632 2.3632 2.4139 2.4139 2.4560 2.4560 2.4830 2.4830 2.4897 2.4897 2.5060 2.5060 2.5314 2.5314 2.5473 2.5473 2.6513 2.6513 3.1734 3.1734 3.1771 3.1771 3.5027 3.5027 3.5264 3.5264 3.9534 3.9534 3.9617 3.9617 7.4782 7.4782 7.4836 7.4836 7.9101 7.9101 7.9113 7.9113 8.0152 8.0152 8.0155 8.0155 9.7482 9.7482 9.7612 9.7612 k = 0.3947 0.5000 0.3947 ( 7684 PWs) bands (ev): -3.3845 -3.3845 -3.3844 -3.3844 1.5535 1.5535 1.5743 1.5743 1.6056 1.6056 1.6098 1.6098 1.6292 1.6292 1.6320 1.6320 1.6579 1.6579 1.6882 1.6882 1.7092 1.7092 1.7178 1.7178 1.7865 1.7865 1.7903 1.7903 1.9795 1.9795 2.0009 2.0009 2.0672 2.0672 2.1065 2.1065 2.1644 2.1644 2.2147 2.2147 2.2222 2.2222 2.2671 2.2671 2.3219 2.3219 2.3775 2.3775 2.4162 2.4162 2.4576 2.4576 2.4882 2.4882 2.4999 2.4999 2.5091 2.5091 2.5382 2.5382 2.5479 2.5479 2.6582 2.6582 3.1457 3.1457 3.1521 3.1521 3.5161 3.5161 3.5424 3.5424 4.0360 4.0360 4.0449 4.0449 7.3711 7.3711 7.3764 7.3764 7.8877 7.8877 7.8891 7.8891 8.0185 8.0185 8.0187 8.0187 9.8604 9.8604 9.8748 9.8748 k = 0.3816 0.5000 0.3816 ( 7684 PWs) bands (ev): -3.3865 -3.3865 -3.3864 -3.3864 1.5290 1.5290 1.5489 1.5489 1.5989 1.5989 1.6012 1.6012 1.6215 1.6215 1.6229 1.6229 1.6573 1.6573 1.6886 1.6886 1.7092 1.7092 1.7166 1.7166 1.7843 1.7843 1.7896 1.7896 1.9730 1.9730 1.9956 1.9956 2.0705 2.0705 2.1081 2.1081 2.1637 2.1637 2.2182 2.2182 2.2295 2.2295 2.2803 2.2803 2.3298 2.3298 2.3879 2.3879 2.4195 2.4195 2.4582 2.4582 2.4947 2.4947 2.5127 2.5127 2.5153 2.5153 2.5452 2.5452 2.5497 2.5497 2.6643 2.6643 3.1211 3.1211 3.1309 3.1309 3.5320 3.5320 3.5605 3.5605 4.1212 4.1212 4.1306 4.1306 7.2629 7.2629 7.2680 7.2680 7.8621 7.8621 7.8636 7.8636 8.0228 8.0228 8.0229 8.0229 9.9731 9.9731 9.9890 9.9890 k = 0.3684 0.5000 0.3684 ( 7692 PWs) bands (ev): -3.3887 -3.3887 -3.3887 -3.3887 1.5031 1.5031 1.5217 1.5217 1.5925 1.5925 1.5925 1.5925 1.6130 1.6130 1.6138 1.6138 1.6574 1.6574 1.6886 1.6886 1.7084 1.7084 1.7138 1.7138 1.7832 1.7832 1.7893 1.7893 1.9674 1.9674 1.9900 1.9900 2.0756 2.0756 2.1097 2.1097 2.1630 2.1630 2.2223 2.2223 2.2369 2.2369 2.2930 2.2930 2.3363 2.3363 2.3947 2.3947 2.4233 2.4233 2.4587 2.4587 2.5007 2.5007 2.5256 2.5256 2.5269 2.5269 2.5527 2.5527 2.5533 2.5533 2.6697 2.6697 3.0995 3.0995 3.1133 3.1133 3.5503 3.5503 3.5807 3.5807 4.2085 4.2085 4.2184 4.2184 7.1547 7.1547 7.1596 7.1596 7.8332 7.8332 7.8349 7.8349 8.0280 8.0280 8.0281 8.0281 10.0844 10.0844 10.1019 10.1019 k = 0.3553 0.5000 0.3553 ( 7704 PWs) bands (ev): -3.3911 -3.3911 -3.3911 -3.3911 1.4763 1.4763 1.4934 1.4934 1.5834 1.5834 1.5863 1.5863 1.6026 1.6026 1.6061 1.6061 1.6580 1.6580 1.6882 1.6882 1.7069 1.7069 1.7095 1.7095 1.7830 1.7830 1.7892 1.7892 1.9624 1.9624 1.9841 1.9841 2.0823 2.0823 2.1115 2.1115 2.1624 2.1624 2.2270 2.2270 2.2443 2.2443 2.3049 2.3049 2.3415 2.3415 2.3988 2.3988 2.4272 2.4272 2.4592 2.4592 2.5062 2.5062 2.5370 2.5370 2.5410 2.5410 2.5608 2.5608 2.5613 2.5613 2.6745 2.6745 3.0806 3.0806 3.0991 3.0991 3.5713 3.5713 3.6031 3.6031 4.2975 4.2975 4.3079 4.3079 7.0475 7.0475 7.0522 7.0522 7.8011 7.8011 7.8031 7.8031 8.0342 8.0342 8.0343 8.0343 10.1925 10.1925 10.2118 10.2118 k = 0.3421 0.5000 0.3421 ( 7702 PWs) bands (ev): -3.3937 -3.3937 -3.3937 -3.3937 1.4489 1.4489 1.4646 1.4646 1.5741 1.5741 1.5803 1.5803 1.5921 1.5921 1.5987 1.5987 1.6589 1.6589 1.6873 1.6873 1.7042 1.7042 1.7050 1.7050 1.7837 1.7837 1.7893 1.7893 1.9580 1.9580 1.9780 1.9780 2.0905 2.0905 2.1135 2.1135 2.1620 2.1620 2.2323 2.2323 2.2515 2.2515 2.3162 2.3162 2.3455 2.3455 2.4012 2.4012 2.4311 2.4311 2.4599 2.4599 2.5119 2.5119 2.5442 2.5442 2.5528 2.5528 2.5727 2.5727 2.5754 2.5754 2.6790 2.6790 3.0644 3.0644 3.0879 3.0879 3.5949 3.5949 3.6278 3.6278 4.3877 4.3877 4.3985 4.3985 6.9422 6.9422 6.9465 6.9465 7.7658 7.7658 7.7680 7.7680 8.0414 8.0414 8.0416 8.0416 10.2950 10.2950 10.3165 10.3165 k = 0.3289 0.5000 0.3289 ( 7692 PWs) bands (ev): -3.3965 -3.3965 -3.3964 -3.3964 1.4212 1.4212 1.4356 1.4356 1.5645 1.5645 1.5744 1.5744 1.5816 1.5816 1.5917 1.5917 1.6597 1.6597 1.6857 1.6857 1.6985 1.6985 1.7030 1.7030 1.7851 1.7851 1.7894 1.7894 1.9541 1.9541 1.9715 1.9715 2.0998 2.0998 2.1156 2.1156 2.1620 2.1620 2.2378 2.2378 2.2586 2.2586 2.3268 2.3268 2.3487 2.3487 2.4028 2.4028 2.4350 2.4350 2.4608 2.4608 2.5184 2.5184 2.5481 2.5481 2.5615 2.5615 2.5872 2.5872 2.5948 2.5948 2.6834 2.6834 3.0507 3.0507 3.0795 3.0795 3.6213 3.6213 3.6548 3.6548 4.4784 4.4784 4.4897 4.4897 6.8397 6.8397 6.8435 6.8435 7.7273 7.7273 7.7298 7.7298 8.0498 8.0498 8.0500 8.0500 10.3886 10.3886 10.4135 10.4135 k = 0.3158 0.5000 0.3158 ( 7688 PWs) bands (ev): -3.3994 -3.3994 -3.3993 -3.3993 1.3937 1.3937 1.4067 1.4067 1.5548 1.5548 1.5678 1.5678 1.5721 1.5721 1.5850 1.5850 1.6599 1.6599 1.6833 1.6833 1.6933 1.6933 1.7013 1.7013 1.7869 1.7869 1.7894 1.7894 1.9506 1.9506 1.9649 1.9649 2.1098 2.1098 2.1178 2.1178 2.1626 2.1626 2.2435 2.2435 2.2657 2.2657 2.3369 2.3369 2.3511 2.3511 2.4038 2.4038 2.4389 2.4389 2.4618 2.4618 2.5255 2.5255 2.5508 2.5508 2.5683 2.5683 2.6030 2.6030 2.6161 2.6161 2.6880 2.6880 3.0393 3.0393 3.0733 3.0733 3.6504 3.6504 3.6841 3.6841 4.5689 4.5689 4.5807 4.5807 6.7406 6.7406 6.7440 6.7440 7.6855 7.6855 7.6883 7.6883 8.0595 8.0595 8.0597 8.0597 10.4668 10.4668 10.4988 10.4988 k = 0.3026 0.5000 0.3026 ( 7672 PWs) bands (ev): -3.4025 -3.4025 -3.4024 -3.4024 1.3664 1.3664 1.3782 1.3782 1.5449 1.5449 1.5586 1.5586 1.5656 1.5656 1.5787 1.5787 1.6585 1.6585 1.6800 1.6800 1.6895 1.6895 1.7002 1.7002 1.7889 1.7889 1.7894 1.7894 1.9474 1.9474 1.9584 1.9584 2.1198 2.1198 2.1200 2.1200 2.1641 2.1641 2.2490 2.2490 2.2727 2.2727 2.3464 2.3464 2.3530 2.3530 2.4045 2.4045 2.4429 2.4429 2.4628 2.4628 2.5332 2.5332 2.5532 2.5532 2.5741 2.5741 2.6187 2.6187 2.6379 2.6379 2.6932 2.6932 3.0301 3.0301 3.0692 3.0692 3.6823 3.6823 3.7157 3.7157 4.6584 4.6584 4.6707 4.6707 6.6460 6.6460 6.6487 6.6487 7.6406 7.6406 7.6436 7.6436 8.0707 8.0707 8.0708 8.0708 10.5094 10.5094 10.5611 10.5611 k = 0.2895 0.5000 0.2895 ( 7670 PWs) bands (ev): -3.4056 -3.4056 -3.4055 -3.4055 1.3396 1.3396 1.3503 1.3503 1.5349 1.5349 1.5482 1.5482 1.5605 1.5605 1.5728 1.5728 1.6549 1.6549 1.6757 1.6757 1.6881 1.6881 1.6999 1.6999 1.7892 1.7892 1.7910 1.7910 1.9444 1.9444 1.9520 1.9520 2.1222 2.1222 2.1289 2.1289 2.1671 2.1671 2.2541 2.2541 2.2796 2.2796 2.3547 2.3547 2.3554 2.3554 2.4051 2.4051 2.4469 2.4469 2.4638 2.4638 2.5406 2.5406 2.5562 2.5562 2.5793 2.5793 2.6334 2.6334 2.6596 2.6596 2.6993 2.6993 3.0230 3.0230 3.0666 3.0666 3.7169 3.7169 3.7497 3.7497 4.7456 4.7456 4.7586 4.7586 6.5569 6.5569 6.5589 6.5589 7.5923 7.5923 7.5957 7.5957 8.0835 8.0835 8.0835 8.0835 10.4692 10.4692 10.5261 10.5261 k = 0.2763 0.5000 0.2763 ( 7674 PWs) bands (ev): -3.4089 -3.4089 -3.4088 -3.4088 1.3135 1.3135 1.3231 1.3231 1.5250 1.5250 1.5378 1.5378 1.5558 1.5558 1.5672 1.5672 1.6494 1.6494 1.6707 1.6707 1.6889 1.6889 1.7002 1.7002 1.7890 1.7890 1.7931 1.7931 1.9416 1.9416 1.9461 1.9461 2.1242 2.1242 2.1361 2.1361 2.1726 2.1726 2.2587 2.2587 2.2865 2.2865 2.3562 2.3562 2.3639 2.3639 2.4058 2.4058 2.4511 2.4511 2.4648 2.4648 2.5461 2.5461 2.5615 2.5615 2.5842 2.5842 2.6464 2.6464 2.6808 2.6808 2.7070 2.7070 3.0178 3.0178 3.0654 3.0654 3.7540 3.7540 3.7859 3.7859 4.8293 4.8293 4.8430 4.8430 6.4746 6.4746 6.4756 6.4756 7.5409 7.5409 7.5445 7.5445 8.0979 8.0979 8.0982 8.0982 10.3700 10.3700 10.4125 10.4125 k = 0.2632 0.5000 0.2632 ( 7668 PWs) bands (ev): -3.4122 -3.4122 -3.4121 -3.4121 1.2882 1.2882 1.2968 1.2968 1.5153 1.5153 1.5276 1.5276 1.5514 1.5514 1.5619 1.5619 1.6428 1.6428 1.6653 1.6653 1.6912 1.6912 1.7011 1.7011 1.7888 1.7888 1.7950 1.7950 1.9390 1.9390 1.9407 1.9407 2.1262 2.1262 2.1408 2.1408 2.1807 2.1807 2.2626 2.2626 2.2934 2.2934 2.3578 2.3578 2.3718 2.3718 2.4067 2.4067 2.4554 2.4554 2.4656 2.4656 2.5491 2.5491 2.5697 2.5697 2.5889 2.5889 2.6572 2.6572 2.7014 2.7014 2.7164 2.7164 3.0144 3.0144 3.0653 3.0653 3.7937 3.7937 3.8243 3.8243 4.9078 4.9078 4.9224 4.9224 6.4004 6.4004 6.4005 6.4005 7.4862 7.4862 7.4901 7.4901 8.1145 8.1145 8.1149 8.1149 10.2595 10.2595 10.2955 10.2955 k = 0.2500 0.5000 0.2500 ( 7660 PWs) bands (ev): -3.4156 -3.4156 -3.4155 -3.4155 1.2638 1.2638 1.2715 1.2715 1.5058 1.5058 1.5176 1.5176 1.5473 1.5473 1.5569 1.5569 1.6358 1.6358 1.6595 1.6595 1.6943 1.6943 1.7026 1.7026 1.7886 1.7886 1.7967 1.7967 1.9362 1.9362 1.9363 1.9363 2.1280 2.1280 2.1437 2.1437 2.1908 2.1908 2.2657 2.2657 2.3001 2.3001 2.3595 2.3595 2.3786 2.3786 2.4081 2.4081 2.4599 2.4599 2.4664 2.4664 2.5505 2.5505 2.5797 2.5797 2.5935 2.5935 2.6660 2.6660 2.7211 2.7211 2.7275 2.7275 3.0128 3.0128 3.0660 3.0660 3.8357 3.8357 3.8648 3.8648 4.9790 4.9790 4.9947 4.9947 6.3351 6.3351 6.3364 6.3364 7.4285 7.4285 7.4326 7.4326 8.1334 8.1334 8.1341 8.1341 10.1505 10.1505 10.1830 10.1830 k = 0.2368 0.5000 0.2368 ( 7668 PWs) bands (ev): -3.4190 -3.4190 -3.4189 -3.4189 1.2404 1.2404 1.2473 1.2473 1.4965 1.4965 1.5079 1.5079 1.5433 1.5433 1.5521 1.5521 1.6288 1.6288 1.6537 1.6537 1.6979 1.6979 1.7045 1.7045 1.7883 1.7883 1.7980 1.7980 1.9325 1.9325 1.9336 1.9336 2.1298 2.1298 2.1454 2.1454 2.2017 2.2017 2.2679 2.2679 2.3066 2.3066 2.3615 2.3615 2.3842 2.3842 2.4100 2.4100 2.4646 2.4646 2.4672 2.4672 2.5512 2.5512 2.5906 2.5906 2.5979 2.5979 2.6729 2.6729 2.7398 2.7398 2.7400 2.7400 3.0127 3.0127 3.0674 3.0674 3.8799 3.8799 3.9072 3.9072 5.0407 5.0407 5.0575 5.0575 6.2818 6.2818 6.2846 6.2846 7.3677 7.3677 7.3721 7.3721 8.1550 8.1550 8.1560 8.1560 10.0460 10.0460 10.0763 10.0763 k = 0.2237 0.5000 0.2237 ( 7670 PWs) bands (ev): -3.4224 -3.4224 -3.4223 -3.4223 1.2180 1.2180 1.2243 1.2243 1.4875 1.4875 1.4985 1.4985 1.5394 1.5394 1.5475 1.5475 1.6223 1.6223 1.6478 1.6478 1.7017 1.7017 1.7070 1.7070 1.7882 1.7882 1.7989 1.7989 1.9299 1.9299 1.9309 1.9309 2.1315 2.1315 2.1467 2.1467 2.2128 2.2128 2.2693 2.2693 2.3127 2.3127 2.3636 2.3636 2.3882 2.3882 2.4128 2.4128 2.4682 2.4682 2.4695 2.4695 2.5515 2.5515 2.6019 2.6019 2.6022 2.6022 2.6787 2.6787 2.7529 2.7529 2.7580 2.7580 3.0141 3.0141 3.0693 3.0693 3.9260 3.9260 3.9513 3.9513 5.0904 5.0904 5.1083 5.1083 6.2428 6.2428 6.2470 6.2470 7.3041 7.3041 7.3087 7.3087 8.1797 8.1797 8.1810 8.1810 9.9473 9.9473 9.9759 9.9759 k = 0.2105 0.5000 0.2105 ( 7662 PWs) bands (ev): -3.4257 -3.4257 -3.4257 -3.4257 1.1968 1.1968 1.2024 1.2024 1.4790 1.4790 1.4896 1.4896 1.5355 1.5355 1.5431 1.5431 1.6162 1.6162 1.6420 1.6420 1.7057 1.7057 1.7099 1.7099 1.7882 1.7882 1.7994 1.7994 1.9280 1.9280 1.9284 1.9284 2.1333 2.1333 2.1478 2.1478 2.2237 2.2237 2.2699 2.2699 2.3184 2.3184 2.3660 2.3660 2.3907 2.3907 2.4162 2.4162 2.4694 2.4694 2.4747 2.4747 2.5518 2.5518 2.6064 2.6064 2.6133 2.6133 2.6837 2.6837 2.7662 2.7662 2.7751 2.7751 3.0168 3.0168 3.0716 3.0716 3.9736 3.9736 3.9970 3.9970 5.1261 5.1261 5.1450 5.1450 6.2199 6.2199 6.2254 6.2254 7.2379 7.2379 7.2427 7.2427 8.2077 8.2077 8.2094 8.2094 9.8548 9.8548 9.8821 9.8821 k = 0.1974 0.5000 0.1974 ( 7666 PWs) bands (ev): -3.4291 -3.4291 -3.4290 -3.4290 1.1768 1.1768 1.1818 1.1818 1.4708 1.4708 1.4810 1.4810 1.5317 1.5317 1.5389 1.5389 1.6108 1.6108 1.6364 1.6364 1.7096 1.7096 1.7132 1.7132 1.7882 1.7882 1.7993 1.7993 1.9251 1.9251 1.9278 1.9278 2.1352 2.1352 2.1489 2.1489 2.2340 2.2340 2.2696 2.2696 2.3235 2.3235 2.3686 2.3686 2.3919 2.3919 2.4198 2.4198 2.4711 2.4711 2.4801 2.4801 2.5522 2.5522 2.6103 2.6103 2.6247 2.6247 2.6883 2.6883 2.7794 2.7794 2.7911 2.7911 3.0206 3.0206 3.0742 3.0742 4.0225 4.0225 4.0437 4.0437 5.1469 5.1469 5.1665 5.1665 6.2138 6.2138 6.2204 6.2204 7.1694 7.1694 7.1743 7.1743 8.2397 8.2397 8.2418 8.2418 9.7690 9.7690 9.7949 9.7949 k = 0.1842 0.5000 0.1842 ( 7674 PWs) bands (ev): -3.4323 -3.4323 -3.4323 -3.4323 1.1581 1.1581 1.1625 1.1625 1.4630 1.4630 1.4728 1.4728 1.5278 1.5278 1.5347 1.5347 1.6060 1.6060 1.6311 1.6311 1.7136 1.7136 1.7169 1.7169 1.7883 1.7883 1.7989 1.7989 1.9221 1.9221 1.9281 1.9281 2.1374 2.1374 2.1501 2.1501 2.2437 2.2437 2.2685 2.2685 2.3278 2.3278 2.3711 2.3711 2.3922 2.3922 2.4233 2.4233 2.4732 2.4732 2.4856 2.4856 2.5528 2.5528 2.6140 2.6140 2.6359 2.6359 2.6926 2.6926 2.7923 2.7923 2.8062 2.8062 3.0255 3.0255 3.0771 3.0771 4.0722 4.0722 4.0912 4.0912 5.1533 5.1533 5.1733 5.1733 6.2237 6.2237 6.2312 6.2312 7.0990 7.0990 7.1041 7.1041 8.2759 8.2759 8.2784 8.2784 9.6897 9.6897 9.7144 9.7144 k = 0.1711 0.5000 0.1711 ( 7678 PWs) bands (ev): -3.4355 -3.4355 -3.4354 -3.4354 1.1406 1.1406 1.1445 1.1445 1.4558 1.4558 1.4651 1.4651 1.5239 1.5239 1.5306 1.5306 1.6020 1.6020 1.6260 1.6260 1.7175 1.7175 1.7210 1.7210 1.7886 1.7886 1.7980 1.7980 1.9191 1.9191 1.9291 1.9291 2.1400 2.1400 2.1515 2.1515 2.2526 2.2526 2.2667 2.2667 2.3312 2.3312 2.3737 2.3737 2.3917 2.3917 2.4264 2.4264 2.4760 2.4760 2.4910 2.4910 2.5537 2.5537 2.6172 2.6172 2.6467 2.6467 2.6968 2.6968 2.8049 2.8049 2.8204 2.8204 3.0312 3.0312 3.0801 3.0801 4.1222 4.1222 4.1390 4.1390 5.1476 5.1476 5.1676 5.1676 6.2471 6.2471 6.2552 6.2552 7.0272 7.0272 7.0325 7.0325 8.3168 8.3168 8.3197 8.3197 9.6171 9.6171 9.6405 9.6405 k = 0.1579 0.5000 0.1579 ( 7668 PWs) bands (ev): -3.4385 -3.4385 -3.4385 -3.4385 1.1244 1.1244 1.1279 1.1279 1.4490 1.4490 1.4578 1.4578 1.5200 1.5200 1.5266 1.5266 1.5987 1.5987 1.6214 1.6214 1.7215 1.7215 1.7254 1.7254 1.7889 1.7889 1.7969 1.7969 1.9162 1.9162 1.9306 1.9306 2.1432 2.1432 2.1532 2.1532 2.2608 2.2608 2.2642 2.2642 2.3337 2.3337 2.3763 2.3763 2.3907 2.3907 2.4290 2.4290 2.4793 2.4793 2.4961 2.4961 2.5551 2.5551 2.6201 2.6201 2.6572 2.6572 2.7011 2.7011 2.8169 2.8169 2.8335 2.8335 3.0377 3.0377 3.0833 3.0833 4.1719 4.1719 4.1864 4.1864 5.1329 5.1329 5.1526 5.1526 6.2806 6.2806 6.2890 6.2890 6.9545 6.9545 6.9602 6.9602 8.3627 8.3627 8.3661 8.3661 9.5510 9.5510 9.5732 9.5732 k = 0.1447 0.5000 0.1447 ( 7688 PWs) bands (ev): -3.4414 -3.4414 -3.4414 -3.4414 1.1094 1.1094 1.1125 1.1125 1.4427 1.4427 1.4510 1.4510 1.5161 1.5161 1.5227 1.5227 1.5960 1.5960 1.6170 1.6170 1.7255 1.7255 1.7300 1.7300 1.7892 1.7892 1.7954 1.7954 1.9134 1.9134 1.9322 1.9322 2.1471 2.1471 2.1551 2.1551 2.2610 2.2610 2.2681 2.2681 2.3351 2.3351 2.3789 2.3789 2.3892 2.3892 2.4310 2.4310 2.4830 2.4830 2.5007 2.5007 2.5572 2.5572 2.6223 2.6223 2.6671 2.6671 2.7053 2.7053 2.8284 2.8284 2.8456 2.8456 3.0446 3.0446 3.0866 3.0866 4.2205 4.2205 4.2328 4.2328 5.1127 5.1127 5.1319 5.1319 6.3201 6.3201 6.3290 6.3290 6.8818 6.8818 6.8879 6.8879 8.4141 8.4141 8.4179 8.4179 9.4913 9.4913 9.5123 9.5123 k = 0.1316 0.5000 0.1316 ( 7688 PWs) bands (ev): -3.4442 -3.4442 -3.4441 -3.4441 1.0958 1.0958 1.0985 1.0985 1.4370 1.4370 1.4448 1.4448 1.5124 1.5124 1.5188 1.5188 1.5938 1.5938 1.6131 1.6131 1.7296 1.7296 1.7348 1.7348 1.7895 1.7895 1.7939 1.7939 1.9109 1.9109 1.9336 1.9336 2.1518 2.1518 2.1573 2.1573 2.2573 2.2573 2.2745 2.2745 2.3354 2.3354 2.3818 2.3818 2.3872 2.3872 2.4325 2.4325 2.4870 2.4870 2.5046 2.5046 2.5599 2.5599 2.6240 2.6240 2.6765 2.6765 2.7096 2.7096 2.8393 2.8393 2.8567 2.8567 3.0521 3.0521 3.0900 3.0900 4.2671 4.2671 4.2773 4.2773 5.0903 5.0903 5.1088 5.1088 6.3621 6.3621 6.3717 6.3717 6.8099 6.8099 6.8167 6.8167 8.4711 8.4711 8.4753 8.4753 9.4378 9.4378 9.4576 9.4576 k = 0.1184 0.5000 0.1184 ( 7688 PWs) bands (ev): -3.4467 -3.4467 -3.4467 -3.4467 1.0834 1.0834 1.0858 1.0858 1.4319 1.4319 1.4390 1.4390 1.5089 1.5089 1.5151 1.5151 1.5922 1.5922 1.6095 1.6095 1.7338 1.7338 1.7397 1.7397 1.7896 1.7896 1.7923 1.7923 1.9087 1.9087 1.9347 1.9347 2.1574 2.1574 2.1598 2.1598 2.2530 2.2530 2.2799 2.2799 2.3349 2.3349 2.3848 2.3848 2.3850 2.3850 2.4336 2.4336 2.4912 2.4912 2.5079 2.5079 2.5634 2.5634 2.6250 2.6250 2.6853 2.6853 2.7137 2.7137 2.8496 2.8496 2.8667 2.8667 3.0597 3.0597 3.0934 3.0934 4.3108 4.3108 4.3189 4.3189 5.0683 5.0683 5.0862 5.0862 6.4031 6.4031 6.4140 6.4140 6.7402 6.7402 6.7484 6.7484 8.5337 8.5337 8.5382 8.5382 9.3904 9.3904 9.4090 9.4090 k = 0.1053 0.5000 0.1053 ( 7688 PWs) bands (ev): -3.4490 -3.4490 -3.4490 -3.4490 1.0724 1.0724 1.0744 1.0744 1.4273 1.4273 1.4338 1.4338 1.5056 1.5056 1.5116 1.5116 1.5910 1.5910 1.6062 1.6062 1.7380 1.7380 1.7445 1.7445 1.7896 1.7896 1.7906 1.7906 1.9070 1.9070 1.9352 1.9352 2.1626 2.1626 2.1639 2.1639 2.2483 2.2483 2.2839 2.2839 2.3338 2.3338 2.3820 2.3820 2.3885 2.3885 2.4341 2.4341 2.4953 2.4953 2.5104 2.5104 2.5675 2.5675 2.6254 2.6254 2.6934 2.6934 2.7178 2.7178 2.8591 2.8591 2.8756 2.8756 3.0673 3.0673 3.0967 3.0967 4.3504 4.3504 4.3565 4.3565 5.0493 5.0493 5.0662 5.0662 6.4390 6.4390 6.4521 6.4521 6.6751 6.6751 6.6858 6.6858 8.6019 8.6019 8.6067 8.6067 9.3488 9.3488 9.3663 9.3663 k = 0.0921 0.5000 0.0921 ( 7684 PWs) bands (ev): -3.4512 -3.4512 -3.4511 -3.4511 1.0627 1.0627 1.0644 1.0644 1.4233 1.4233 1.4291 1.4291 1.5027 1.5027 1.5083 1.5083 1.5902 1.5902 1.6033 1.6033 1.7423 1.7423 1.7493 1.7493 1.7889 1.7889 1.7893 1.7893 1.9059 1.9059 1.9350 1.9350 2.1658 2.1658 2.1714 2.1714 2.2432 2.2432 2.2861 2.2861 2.3329 2.3329 2.3790 2.3790 2.3924 2.3924 2.4341 2.4341 2.4992 2.4992 2.5123 2.5123 2.5722 2.5722 2.6251 2.6251 2.7008 2.7008 2.7215 2.7215 2.8679 2.8679 2.8834 2.8834 3.0748 3.0748 3.0999 3.0999 4.3849 4.3849 4.3892 4.3892 5.0347 5.0347 5.0507 5.0507 6.4629 6.4629 6.4796 6.4796 6.6209 6.6209 6.6353 6.6353 8.6752 8.6752 8.6801 8.6801 9.3129 9.3129 9.3294 9.3294 k = 0.0789 0.5000 0.0789 ( 7692 PWs) bands (ev): -3.4530 -3.4530 -3.4530 -3.4530 1.0543 1.0543 1.0557 1.0557 1.4198 1.4198 1.4249 1.4249 1.5001 1.5001 1.5052 1.5052 1.5896 1.5896 1.6007 1.6007 1.7467 1.7467 1.7538 1.7538 1.7872 1.7872 1.7886 1.7886 1.9054 1.9054 1.9341 1.9341 2.1694 2.1694 2.1795 2.1795 2.2379 2.2379 2.2860 2.2860 2.3327 2.3327 2.3756 2.3756 2.3964 2.3964 2.4335 2.4335 2.5027 2.5027 2.5137 2.5137 2.5771 2.5771 2.6241 2.6241 2.7074 2.7074 2.7248 2.7248 2.8759 2.8759 2.8899 2.8899 3.0820 3.0820 3.1029 3.1029 4.4135 4.4135 4.4163 4.4163 5.0258 5.0258 5.0405 5.0405 6.4623 6.4623 6.4797 6.4797 6.5944 6.5944 6.6096 6.6096 8.7531 8.7531 8.7579 8.7579 9.2824 9.2824 9.2982 9.2982 k = 0.0658 0.5000 0.0658 ( 7688 PWs) bands (ev): -3.4546 -3.4546 -3.4546 -3.4546 1.0472 1.0472 1.0484 1.0484 1.4170 1.4170 1.4213 1.4213 1.4979 1.4979 1.5024 1.5024 1.5893 1.5893 1.5985 1.5985 1.7512 1.7512 1.7580 1.7580 1.7855 1.7855 1.7875 1.7875 1.9057 1.9057 1.9325 1.9325 2.1733 2.1733 2.1882 2.1882 2.2327 2.2327 2.2834 2.2834 2.3337 2.3337 2.3719 2.3719 2.4006 2.4006 2.4325 2.4325 2.5059 2.5059 2.5147 2.5147 2.5822 2.5822 2.6225 2.6225 2.7132 2.7132 2.7276 2.7276 2.8831 2.8831 2.8953 2.8953 3.0887 3.0887 3.1056 3.1056 4.4357 4.4357 4.4374 4.4374 5.0226 5.0226 5.0356 5.0356 6.4348 6.4348 6.4469 6.4469 6.6016 6.6016 6.6116 6.6116 8.8346 8.8346 8.8388 8.8388 9.2574 9.2574 9.2728 9.2728 k = 0.0526 0.5000 0.0526 ( 7688 PWs) bands (ev): -3.4559 -3.4559 -3.4559 -3.4559 1.0414 1.0414 1.0424 1.0424 1.4148 1.4148 1.4182 1.4182 1.4962 1.4962 1.4999 1.4999 1.5893 1.5893 1.5965 1.5965 1.7557 1.7557 1.7618 1.7618 1.7838 1.7838 1.7859 1.7859 1.9067 1.9067 1.9302 1.9302 2.1776 2.1776 2.1967 2.1967 2.2280 2.2280 2.2785 2.2785 2.3360 2.3360 2.3681 2.3681 2.4048 2.4048 2.4310 2.4310 2.5086 2.5086 2.5154 2.5154 2.5874 2.5874 2.6203 2.6203 2.7183 2.7183 2.7297 2.7297 2.8893 2.8893 2.8994 2.8994 3.0946 3.0946 3.1077 3.1077 4.4518 4.4518 4.4527 4.4527 5.0243 5.0243 5.0353 5.0353 6.3974 6.3974 6.4052 6.4052 6.6195 6.6195 6.6255 6.6255 8.9179 8.9179 8.9211 8.9211 9.2380 9.2380 9.2533 9.2533 k = 0.0395 0.5000 0.0395 ( 7690 PWs) bands (ev): -3.4570 -3.4570 -3.4570 -3.4570 1.0370 1.0370 1.0376 1.0376 1.4131 1.4131 1.4158 1.4158 1.4950 1.4950 1.4979 1.4979 1.5894 1.5894 1.5948 1.5948 1.7600 1.7600 1.7653 1.7653 1.7821 1.7821 1.7839 1.7839 1.9085 1.9085 1.9273 1.9273 2.1822 2.1822 2.2035 2.2035 2.2254 2.2254 2.2717 2.2717 2.3392 2.3392 2.3640 2.3640 2.4090 2.4090 2.4290 2.4290 2.5108 2.5108 2.5157 2.5157 2.5926 2.5926 2.6176 2.6176 2.7226 2.7226 2.7312 2.7312 2.8945 2.8945 2.9023 2.9023 3.0997 3.0997 3.1093 3.1093 4.4626 4.4626 4.4630 4.4630 5.0293 5.0293 5.0378 5.0378 6.3623 6.3623 6.3674 6.3674 6.6366 6.6366 6.6403 6.6403 9.0001 9.0001 9.0012 9.0012 9.2249 9.2249 9.2409 9.2409 k = 0.0263 0.5000 0.0263 ( 7684 PWs) bands (ev): -3.4577 -3.4577 -3.4577 -3.4577 1.0338 1.0338 1.0342 1.0342 1.4121 1.4121 1.4139 1.4139 1.4943 1.4943 1.4962 1.4962 1.5898 1.5898 1.5933 1.5933 1.7642 1.7642 1.7681 1.7681 1.7804 1.7804 1.7816 1.7816 1.9110 1.9110 1.9241 1.9241 2.1870 2.1870 2.2051 2.2051 2.2283 2.2283 2.2636 2.2636 2.3430 2.3430 2.3599 2.3599 2.4130 2.4130 2.4265 2.4265 2.5126 2.5126 2.5158 2.5158 2.5975 2.5975 2.6144 2.6144 2.7261 2.7261 2.7318 2.7318 2.8987 2.8987 2.9039 2.9039 3.1038 3.1038 3.1101 3.1101 4.4693 4.4693 4.4694 4.4694 5.0354 5.0354 5.0413 5.0413 6.3348 6.3348 6.3380 6.3380 6.6498 6.6498 6.6520 6.6520 9.0722 9.0722 9.0743 9.0743 9.2207 9.2207 9.2380 9.2380 k = 0.0132 0.5000 0.0132 ( 7672 PWs) bands (ev): -3.4582 -3.4582 -3.4582 -3.4582 1.0320 1.0320 1.0322 1.0322 1.4117 1.4117 1.4126 1.4126 1.4940 1.4940 1.4950 1.4950 1.5903 1.5903 1.5921 1.5921 1.7678 1.7678 1.7701 1.7701 1.7789 1.7789 1.7793 1.7793 1.9139 1.9139 1.9207 1.9207 2.1921 2.1921 2.2020 2.2020 2.2360 2.2360 2.2546 2.2546 2.3471 2.3471 2.3556 2.3556 2.4169 2.4169 2.4237 2.4237 2.5140 2.5140 2.5155 2.5155 2.6023 2.6023 2.6108 2.6108 2.7288 2.7288 2.7316 2.7316 2.9017 2.9017 2.9044 2.9044 3.1070 3.1070 3.1101 3.1101 4.4727 4.4727 4.4728 4.4728 5.0406 5.0406 5.0436 5.0436 6.3177 6.3177 6.3192 6.3192 6.6582 6.6582 6.6592 6.6592 9.1209 9.1209 9.1249 9.1249 9.2322 9.2322 9.2467 9.2467 k = 0.0000 0.5000-0.0000 ( 7672 PWs) bands (ev): -3.4583 -3.4583 -3.4583 -3.4583 1.0315 1.0315 1.0315 1.0315 1.4118 1.4118 1.4118 1.4118 1.4943 1.4943 1.4943 1.4943 1.5911 1.5911 1.5911 1.5911 1.7702 1.7702 1.7702 1.7702 1.7782 1.7782 1.7782 1.7782 1.9172 1.9172 1.9172 1.9172 2.1973 2.1973 2.1973 2.1973 2.2452 2.2452 2.2452 2.2452 2.3513 2.3513 2.3513 2.3513 2.4204 2.4204 2.4204 2.4204 2.5149 2.5149 2.5149 2.5149 2.6067 2.6067 2.6067 2.6067 2.7306 2.7306 2.7306 2.7306 2.9037 2.9037 2.9037 2.9037 3.1090 3.1090 3.1090 3.1090 4.4738 4.4738 4.4738 4.4738 5.0436 5.0436 5.0436 5.0436 6.3123 6.3123 6.3123 6.3123 6.6613 6.6613 6.6613 6.6613 9.1384 9.1384 9.1384 9.1384 9.2507 9.2507 9.2507 9.2507 k = 0.5000 0.5000-0.0000 ( 7692 PWs) bands (ev): -3.4129 -3.4129 -3.4128 -3.4128 1.0286 1.0286 1.3926 1.3926 1.4756 1.4756 1.5707 1.5707 1.5889 1.5889 1.6069 1.6069 1.6617 1.6617 1.6809 1.6809 1.6943 1.6943 1.7380 1.7380 1.7883 1.7883 1.8546 1.8546 1.9031 1.9031 2.0067 2.0067 2.0813 2.0813 2.1170 2.1170 2.1571 2.1571 2.1586 2.1586 2.3155 2.3155 2.3303 2.3303 2.3761 2.3761 2.4154 2.4154 2.4239 2.4239 2.4278 2.4278 2.5057 2.5057 2.5143 2.5143 2.5187 2.5187 2.6838 2.6838 2.7036 2.7036 2.7384 2.7384 2.9010 2.9010 2.9402 2.9402 4.8297 4.8297 4.8914 4.8914 4.9299 4.9299 5.0415 5.0415 5.0500 5.0500 5.3125 5.3125 8.1623 8.1623 8.2225 8.2225 8.2442 8.2442 8.4248 8.4248 8.7595 8.7595 9.4946 9.4946 k = 0.5000 0.5000 0.0185 ( 7684 PWs) bands (ev): -3.4128 -3.4128 -3.4127 -3.4127 1.0301 1.0301 1.3933 1.3933 1.4761 1.4761 1.5709 1.5709 1.5889 1.5889 1.6072 1.6072 1.6614 1.6614 1.6813 1.6813 1.6944 1.6944 1.7378 1.7378 1.7885 1.7885 1.8542 1.8542 1.9035 1.9035 2.0072 2.0072 2.0805 2.0805 2.1171 2.1171 2.1575 2.1575 2.1581 2.1581 2.3157 2.3157 2.3301 2.3301 2.3748 2.3748 2.4162 2.4162 2.4238 2.4238 2.4279 2.4279 2.5059 2.5059 2.5119 2.5119 2.5205 2.5205 2.6826 2.6826 2.7034 2.7034 2.7407 2.7407 2.8999 2.8999 2.9402 2.9402 4.8253 4.8253 4.8403 4.8403 4.8702 4.8702 5.1036 5.1036 5.1047 5.1047 5.3071 5.3071 8.1621 8.1621 8.2118 8.2118 8.2441 8.2441 8.4169 8.4169 8.7791 8.7791 9.5094 9.5094 k = 0.5000 0.5000 0.0370 ( 7700 PWs) bands (ev): -3.4124 -3.4124 -3.4123 -3.4123 1.0344 1.0344 1.3955 1.3955 1.4776 1.4776 1.5713 1.5713 1.5891 1.5891 1.6082 1.6082 1.6608 1.6608 1.6826 1.6826 1.6947 1.6947 1.7373 1.7373 1.7891 1.7891 1.8528 1.8528 1.9046 1.9046 2.0086 2.0086 2.0785 2.0785 2.1173 2.1173 2.1565 2.1565 2.1586 2.1586 2.3163 2.3163 2.3295 2.3295 2.3711 2.3711 2.4178 2.4178 2.4235 2.4235 2.4287 2.4287 2.5063 2.5063 2.5075 2.5075 2.5229 2.5229 2.6793 2.6793 2.7028 2.7028 2.7471 2.7471 2.8966 2.8966 2.9400 2.9400 4.7514 4.7514 4.7744 4.7744 4.8179 4.8179 5.1991 5.1991 5.2058 5.2058 5.2920 5.2920 8.1614 8.1614 8.1843 8.1843 8.2430 8.2430 8.3948 8.3948 8.8337 8.8337 9.5524 9.5524 k = 0.5000 0.5000 0.0556 ( 7696 PWs) bands (ev): -3.4118 -3.4118 -3.4117 -3.4117 1.0418 1.0418 1.3991 1.3991 1.4801 1.4801 1.5721 1.5721 1.5893 1.5893 1.6098 1.6098 1.6601 1.6601 1.6845 1.6845 1.6951 1.6951 1.7366 1.7366 1.7900 1.7900 1.8505 1.8505 1.9064 1.9064 2.0109 2.0109 2.0755 2.0755 2.1174 2.1174 2.1540 2.1540 2.1605 2.1605 2.3172 2.3172 2.3284 2.3284 2.3660 2.3660 2.4187 2.4187 2.4231 2.4231 2.4307 2.4307 2.5026 2.5026 2.5071 2.5071 2.5246 2.5246 2.6750 2.6750 2.7018 2.7018 2.7569 2.7569 2.8911 2.8911 2.9397 2.9397 4.6581 4.6581 4.6815 4.6815 4.7993 4.7993 5.2554 5.2554 5.3139 5.3139 5.3155 5.3155 8.1481 8.1481 8.1602 8.1602 8.2407 8.2407 8.3617 8.3617 8.9150 8.9150 9.6200 9.6200 k = 0.5000 0.5000 0.0741 ( 7696 PWs) bands (ev): -3.4110 -3.4110 -3.4109 -3.4109 1.0520 1.0520 1.4042 1.4042 1.4836 1.4836 1.5731 1.5731 1.5897 1.5897 1.6120 1.6120 1.6592 1.6592 1.6868 1.6868 1.6957 1.6957 1.7356 1.7356 1.7913 1.7913 1.8476 1.8476 1.9090 1.9090 2.0139 2.0139 2.0719 2.0719 2.1169 2.1169 2.1506 2.1506 2.1631 2.1631 2.3182 2.3182 2.3270 2.3270 2.3602 2.3602 2.4182 2.4182 2.4227 2.4227 2.4341 2.4341 2.4974 2.4974 2.5081 2.5081 2.5256 2.5256 2.6701 2.6701 2.7006 2.7006 2.7692 2.7692 2.8835 2.8835 2.9394 2.9394 4.5656 4.5656 4.5897 4.5897 4.7748 4.7748 5.2215 5.2215 5.4236 5.4236 5.4257 5.4257 8.1096 8.1096 8.1585 8.1585 8.2375 8.2375 8.3218 8.3218 9.0158 9.0158 9.7080 9.7080 k = 0.5000 0.5000 0.0926 ( 7700 PWs) bands (ev): -3.4099 -3.4099 -3.4098 -3.4098 1.0652 1.0652 1.4106 1.4106 1.4880 1.4880 1.5745 1.5745 1.5901 1.5901 1.6147 1.6147 1.6585 1.6585 1.6895 1.6895 1.6965 1.6965 1.7344 1.7344 1.7927 1.7927 1.8440 1.8440 1.9121 1.9121 2.0172 2.0172 2.0681 2.0681 2.1158 2.1158 2.1466 2.1466 2.1663 2.1663 2.3188 2.3188 2.3251 2.3251 2.3543 2.3543 2.4167 2.4167 2.4223 2.4223 2.4381 2.4381 2.4919 2.4919 2.5093 2.5093 2.5257 2.5257 2.6648 2.6648 2.6991 2.6991 2.7836 2.7836 2.8739 2.8739 2.9391 2.9391 4.4755 4.4755 4.5005 4.5005 4.7440 4.7440 5.1750 5.1750 5.5383 5.5383 5.5403 5.5403 8.0725 8.0725 8.1562 8.1562 8.2333 8.2333 8.2787 8.2787 9.1315 9.1315 9.8127 9.8127 k = 0.5000 0.5000 0.1111 ( 7680 PWs) bands (ev): -3.4087 -3.4087 -3.4086 -3.4086 1.0811 1.0811 1.4183 1.4183 1.4934 1.4934 1.5762 1.5762 1.5908 1.5908 1.6179 1.6179 1.6581 1.6581 1.6924 1.6924 1.6974 1.6974 1.7330 1.7330 1.7944 1.7944 1.8401 1.8401 1.9159 1.9159 2.0207 2.0207 2.0646 2.0646 2.1141 2.1141 2.1422 2.1422 2.1699 2.1699 2.3186 2.3186 2.3229 2.3229 2.3489 2.3489 2.4145 2.4145 2.4222 2.4222 2.4422 2.4422 2.4863 2.4863 2.5106 2.5106 2.5250 2.5250 2.6595 2.6595 2.6975 2.6975 2.7999 2.7999 2.8622 2.8622 2.9390 2.9390 4.3882 4.3882 4.4143 4.4143 4.7072 4.7072 5.1198 5.1198 5.6560 5.6560 5.6574 5.6574 8.0387 8.0387 8.1530 8.1530 8.2282 8.2282 8.2352 8.2352 9.2592 9.2592 9.9308 9.9308 k = 0.5000 0.5000 0.1296 ( 7704 PWs) bands (ev): -3.4073 -3.4073 -3.4072 -3.4072 1.0997 1.0997 1.4272 1.4272 1.4997 1.4997 1.5782 1.5782 1.5916 1.5916 1.6213 1.6213 1.6578 1.6578 1.6953 1.6953 1.6983 1.6983 1.7316 1.7316 1.7960 1.7960 1.8358 1.8358 1.9201 1.9201 2.0236 2.0236 2.0616 2.0616 2.1118 2.1118 2.1375 2.1375 2.1739 2.1739 2.3169 2.3169 2.3201 2.3201 2.3447 2.3447 2.4119 2.4119 2.4223 2.4223 2.4458 2.4458 2.4807 2.4807 2.5117 2.5117 2.5235 2.5235 2.6539 2.6539 2.6958 2.6958 2.8177 2.8177 2.8484 2.8484 2.9393 2.9393 4.3041 4.3041 4.3313 4.3313 4.6648 4.6648 5.0571 5.0571 5.7762 5.7762 5.7768 5.7768 8.0089 8.0089 8.1480 8.1480 8.1942 8.1942 8.2222 8.2222 9.3969 9.3969 10.0600 10.0600 k = 0.5000 0.5000 0.1481 ( 7696 PWs) bands (ev): -3.4057 -3.4057 -3.4056 -3.4056 1.1212 1.1212 1.4372 1.4372 1.5069 1.5069 1.5805 1.5805 1.5927 1.5927 1.6250 1.6250 1.6580 1.6580 1.6983 1.6983 1.6993 1.6993 1.7301 1.7301 1.7976 1.7976 1.8313 1.8313 1.9249 1.9249 2.0258 2.0258 2.0598 2.0598 2.1092 2.1092 2.1328 2.1328 2.1780 2.1780 2.3134 2.3134 2.3171 2.3171 2.3421 2.3421 2.4090 2.4090 2.4227 2.4227 2.4491 2.4491 2.4752 2.4752 2.5128 2.5128 2.5213 2.5213 2.6482 2.6482 2.6942 2.6942 2.8327 2.8327 2.8372 2.8372 2.9401 2.9401 4.2235 4.2235 4.2516 4.2516 4.6174 4.6174 4.9881 4.9881 5.8982 5.8982 5.8985 5.8985 7.9835 7.9835 8.1357 8.1357 8.1626 8.1626 8.2153 8.2153 9.5433 9.5433 10.1987 10.1987 k = 0.5000 0.5000 0.1667 ( 7672 PWs) bands (ev): -3.4039 -3.4039 -3.4038 -3.4038 1.1452 1.1452 1.4482 1.4482 1.5150 1.5150 1.5831 1.5831 1.5939 1.5939 1.6288 1.6288 1.6588 1.6588 1.7003 1.7003 1.7013 1.7013 1.7287 1.7287 1.7991 1.7991 1.8267 1.8267 1.9301 1.9301 2.0265 2.0265 2.0595 2.0595 2.1062 2.1062 2.1283 2.1283 2.1822 2.1822 2.3081 2.3081 2.3138 2.3138 2.3406 2.3406 2.4058 2.4058 2.4235 2.4235 2.4517 2.4517 2.4700 2.4700 2.5137 2.5137 2.5186 2.5186 2.6423 2.6423 2.6925 2.6925 2.8151 2.8151 2.8582 2.8582 2.9419 2.9419 4.1464 4.1464 4.1755 4.1755 4.5654 4.5654 4.9138 4.9138 6.0215 6.0215 6.0226 6.0226 7.9623 7.9623 8.1073 8.1073 8.1498 8.1498 8.2076 8.2076 9.6971 9.6971 10.3453 10.3453 k = 0.5000 0.5000 0.1852 ( 7696 PWs) bands (ev): -3.4020 -3.4020 -3.4020 -3.4020 1.1716 1.1716 1.4600 1.4600 1.5238 1.5238 1.5859 1.5859 1.5953 1.5953 1.6324 1.6324 1.6599 1.6599 1.7011 1.7011 1.7041 1.7041 1.7274 1.7274 1.8004 1.8004 1.8221 1.8221 1.9356 1.9356 2.0258 2.0258 2.0607 2.0607 2.1030 2.1030 2.1242 2.1242 2.1862 2.1862 2.3018 2.3018 2.3102 2.3102 2.3396 2.3396 2.4025 2.4025 2.4245 2.4245 2.4536 2.4536 2.4651 2.4651 2.5141 2.5141 2.5154 2.5154 2.6361 2.6361 2.6909 2.6909 2.7954 2.7954 2.8805 2.8805 2.9449 2.9449 4.0730 4.0730 4.1029 4.1029 4.5096 4.5096 4.8353 4.8353 6.1464 6.1464 6.1484 6.1484 7.9451 7.9451 8.0757 8.0757 8.1434 8.1434 8.1991 8.1991 9.8567 9.8567 10.3845 10.3845 k = 0.5000 0.5000 0.2037 ( 7692 PWs) bands (ev): -3.4001 -3.4001 -3.4000 -3.4000 1.2004 1.2004 1.4726 1.4726 1.5334 1.5334 1.5891 1.5891 1.5970 1.5970 1.6357 1.6357 1.6617 1.6617 1.7017 1.7017 1.7068 1.7068 1.7263 1.7263 1.8012 1.8012 1.8177 1.8177 1.9414 1.9414 2.0240 2.0240 2.0631 2.0631 2.0998 2.0998 2.1206 2.1206 2.1899 2.1899 2.2949 2.2949 2.3065 2.3065 2.3382 2.3382 2.3992 2.3992 2.4257 2.4257 2.4549 2.4549 2.4607 2.4607 2.5121 2.5121 2.5142 2.5142 2.6296 2.6296 2.6893 2.6893 2.7740 2.7740 2.9041 2.9041 2.9495 2.9495 4.0035 4.0035 4.0339 4.0339 4.4504 4.4504 4.7534 4.7534 6.2729 6.2729 6.2756 6.2756 7.9315 7.9315 8.0467 8.0467 8.1376 8.1376 8.1898 8.1898 10.0191 10.0191 10.3659 10.3659 k = 0.5000 0.5000 0.2222 ( 7704 PWs) bands (ev): -3.3980 -3.3980 -3.3980 -3.3980 1.2314 1.2314 1.4857 1.4857 1.5437 1.5437 1.5925 1.5925 1.5990 1.5990 1.6385 1.6385 1.6641 1.6641 1.7019 1.7019 1.7092 1.7092 1.7256 1.7256 1.8017 1.8017 1.8135 1.8135 1.9474 1.9474 2.0216 2.0216 2.0659 2.0659 2.0967 2.0967 2.1178 2.1178 2.1933 2.1933 2.2878 2.2878 2.3027 2.3027 2.3360 2.3360 2.3960 2.3960 2.4268 2.4268 2.4555 2.4555 2.4571 2.4571 2.5086 2.5086 2.5139 2.5139 2.6228 2.6228 2.6874 2.6874 2.7509 2.7509 2.9289 2.9289 2.9561 2.9561 3.9379 3.9379 3.9686 3.9686 4.3886 4.3886 4.6690 4.6690 6.4005 6.4005 6.4039 6.4039 7.9213 7.9213 8.0214 8.0214 8.1317 8.1317 8.1798 8.1798 10.1703 10.1703 10.3559 10.3559 k = 0.5000 0.5000 0.2407 ( 7712 PWs) bands (ev): -3.3959 -3.3959 -3.3959 -3.3959 1.2644 1.2644 1.4993 1.4993 1.5547 1.5547 1.5962 1.5962 1.6012 1.6012 1.6410 1.6410 1.6669 1.6669 1.7017 1.7017 1.7113 1.7113 1.7253 1.7253 1.8016 1.8016 1.8097 1.8097 1.9537 1.9537 2.0190 2.0190 2.0688 2.0688 2.0940 2.0940 2.1157 2.1157 2.1961 2.1961 2.2807 2.2807 2.2988 2.2988 2.3326 2.3326 2.3929 2.3929 2.4275 2.4275 2.4545 2.4545 2.4555 2.4555 2.5054 2.5054 2.5132 2.5132 2.6158 2.6158 2.6851 2.6851 2.7263 2.7263 2.9550 2.9550 2.9652 2.9652 3.8763 3.8763 3.9070 3.9070 4.3246 4.3246 4.5829 4.5829 6.5292 6.5292 6.5332 6.5332 7.9141 7.9141 7.9998 7.9998 8.1254 8.1254 8.1692 8.1692 10.2318 10.2318 10.3437 10.3437 k = 0.5000 0.5000 0.2593 ( 7712 PWs) bands (ev): -3.3938 -3.3938 -3.3938 -3.3938 1.2993 1.2993 1.5131 1.5131 1.5662 1.5662 1.6002 1.6002 1.6038 1.6038 1.6430 1.6430 1.6699 1.6699 1.7010 1.7010 1.7129 1.7129 1.7254 1.7254 1.8010 1.8010 1.8063 1.8063 1.9602 1.9602 2.0165 2.0165 2.0714 2.0714 2.0920 2.0920 2.1145 2.1145 2.1984 2.1984 2.2738 2.2738 2.2950 2.2950 2.3277 2.3277 2.3900 2.3900 2.4273 2.4273 2.4536 2.4536 2.4550 2.4550 2.5025 2.5025 2.5122 2.5122 2.6086 2.6086 2.6815 2.6815 2.7010 2.7010 2.9771 2.9771 2.9824 2.9824 3.8189 3.8189 3.8493 3.8493 4.2592 4.2592 4.4958 4.4958 6.6586 6.6586 6.6631 6.6631 7.9095 7.9095 7.9818 7.9818 8.1187 8.1187 8.1580 8.1580 10.1993 10.1993 10.2785 10.2785 k = 0.5000 0.5000 0.2778 ( 7688 PWs) bands (ev): -3.3917 -3.3917 -3.3917 -3.3917 1.3357 1.3357 1.5271 1.5271 1.5782 1.5782 1.6045 1.6045 1.6067 1.6067 1.6448 1.6448 1.6728 1.6728 1.6999 1.6999 1.7140 1.7140 1.7259 1.7259 1.7999 1.7999 1.8035 1.8035 1.9670 1.9670 2.0142 2.0142 2.0732 2.0732 2.0910 2.0910 2.1141 2.1141 2.2000 2.2000 2.2672 2.2672 2.2914 2.2914 2.3212 2.3212 2.3871 2.3871 2.4261 2.4261 2.4541 2.4541 2.4543 2.4543 2.5004 2.5004 2.5110 2.5110 2.6011 2.6011 2.6682 2.6682 2.6836 2.6836 2.9923 2.9923 3.0110 3.0110 3.7657 3.7657 3.7954 3.7954 4.1928 4.1928 4.4082 4.4082 6.7883 6.7883 6.7933 6.7933 7.9072 7.9072 7.9673 7.9673 8.1114 8.1114 8.1462 8.1462 10.1414 10.1414 10.2038 10.2038 k = 0.5000 0.5000 0.2963 ( 7692 PWs) bands (ev): -3.3897 -3.3897 -3.3896 -3.3896 1.3732 1.3732 1.5410 1.5410 1.5904 1.5904 1.6090 1.6090 1.6098 1.6098 1.6464 1.6464 1.6755 1.6755 1.6983 1.6983 1.7145 1.7145 1.7264 1.7264 1.7983 1.7983 1.8014 1.8014 1.9741 1.9741 2.0121 2.0121 2.0741 2.0741 2.0912 2.0912 2.1143 2.1143 2.2008 2.2008 2.2609 2.2609 2.2877 2.2877 2.3129 2.3129 2.3839 2.3839 2.4240 2.4240 2.4530 2.4530 2.4564 2.4564 2.4990 2.4990 2.5097 2.5097 2.5935 2.5935 2.6415 2.6415 2.6778 2.6778 3.0109 3.0109 3.0408 3.0408 3.7168 3.7168 3.7455 3.7455 4.1260 4.1260 4.3207 4.3207 6.9181 6.9181 6.9235 6.9235 7.9071 7.9071 7.9562 7.9562 8.1037 8.1037 8.1340 8.1340 10.0707 10.0707 10.1208 10.1208 k = 0.5000 0.5000 0.3148 ( 7680 PWs) bands (ev): -3.3877 -3.3877 -3.3876 -3.3876 1.4116 1.4116 1.5546 1.5546 1.6029 1.6029 1.6133 1.6133 1.6138 1.6138 1.6480 1.6480 1.6778 1.6778 1.6965 1.6965 1.7142 1.7142 1.7270 1.7270 1.7966 1.7966 1.8001 1.8001 1.9814 1.9814 2.0105 2.0105 2.0744 2.0744 2.0926 2.0926 2.1150 2.1150 2.2011 2.2011 2.2551 2.2551 2.2842 2.2842 2.3029 2.3029 2.3801 2.3801 2.4213 2.4213 2.4518 2.4518 2.4596 2.4596 2.4987 2.4987 2.5082 2.5082 2.5858 2.5858 2.6128 2.6128 2.6726 2.6726 3.0332 3.0332 3.0720 3.0720 3.6721 3.6721 3.6995 3.6995 4.0594 4.0594 4.2338 4.2338 7.0474 7.0474 7.0530 7.0530 7.9088 7.9088 7.9481 7.9481 8.0955 8.0955 8.1214 8.1214 9.9904 9.9904 10.0306 10.0306 k = 0.5000 0.5000 0.3333 ( 7688 PWs) bands (ev): -3.3858 -3.3858 -3.3857 -3.3857 1.4503 1.4503 1.5678 1.5678 1.6147 1.6147 1.6176 1.6176 1.6188 1.6188 1.6495 1.6495 1.6794 1.6794 1.6944 1.6944 1.7130 1.7130 1.7271 1.7271 1.7949 1.7949 1.7994 1.7994 1.9889 1.9889 2.0094 2.0094 2.0744 2.0744 2.0945 2.0945 2.1160 2.1160 2.2008 2.2008 2.2499 2.2499 2.2805 2.2805 2.2912 2.2912 2.3752 2.3752 2.4186 2.4186 2.4506 2.4506 2.4633 2.4633 2.4995 2.4995 2.5068 2.5068 2.5782 2.5782 2.5840 2.5840 2.6667 2.6667 3.0593 3.0593 3.1044 3.1044 3.6319 3.6319 3.6576 3.6576 3.9933 3.9933 4.1479 4.1479 7.1755 7.1755 7.1814 7.1814 7.9121 7.9121 7.9428 7.9428 8.0868 8.0868 8.1085 8.1085 9.9027 9.9027 9.9349 9.9349 k = 0.5000 0.5000 0.3519 ( 7680 PWs) bands (ev): -3.3840 -3.3840 -3.3839 -3.3839 1.4888 1.4888 1.5805 1.5805 1.6204 1.6204 1.6239 1.6239 1.6282 1.6282 1.6509 1.6509 1.6806 1.6806 1.6922 1.6922 1.7111 1.7111 1.7265 1.7265 1.7937 1.7937 1.7993 1.7993 1.9967 1.9967 2.0089 2.0089 2.0747 2.0747 2.0968 2.0968 2.1171 2.1171 2.2005 2.2005 2.2452 2.2452 2.2768 2.2768 2.2779 2.2779 2.3687 2.3687 2.4160 2.4160 2.4494 2.4494 2.4671 2.4671 2.5014 2.5014 2.5053 2.5053 2.5563 2.5563 2.5710 2.5710 2.6600 2.6600 3.0894 3.0894 3.1383 3.1383 3.5960 3.5960 3.6197 3.6197 3.9281 3.9281 4.0633 4.0633 7.3018 7.3018 7.3077 7.3077 7.9168 7.9168 7.9401 7.9401 8.0778 8.0778 8.0955 8.0955 9.8097 9.8097 9.8354 9.8354 k = 0.5000 0.5000 0.3704 ( 7672 PWs) bands (ev): -3.3823 -3.3823 -3.3823 -3.3823 1.5263 1.5263 1.5926 1.5926 1.6246 1.6246 1.6291 1.6291 1.6400 1.6400 1.6524 1.6524 1.6813 1.6813 1.6899 1.6899 1.7085 1.7085 1.7250 1.7250 1.7933 1.7933 1.7998 1.7998 2.0045 2.0045 2.0093 2.0093 2.0753 2.0753 2.0992 2.0992 2.1181 2.1181 2.2004 2.2004 2.2409 2.2409 2.2634 2.2634 2.2728 2.2728 2.3598 2.3598 2.4141 2.4141 2.4482 2.4482 2.4710 2.4710 2.5039 2.5039 2.5041 2.5041 2.5310 2.5310 2.5645 2.5645 2.6525 2.6525 3.1234 3.1234 3.1736 3.1736 3.5646 3.5646 3.5860 3.5860 3.8642 3.8642 3.9805 3.9805 7.4250 7.4250 7.4310 7.4310 7.9227 7.9227 7.9398 7.9398 8.0684 8.0684 8.0823 8.0823 9.7133 9.7133 9.7338 9.7338 k = 0.5000 0.5000 0.3889 ( 7672 PWs) bands (ev): -3.3809 -3.3809 -3.3808 -3.3808 1.5617 1.5617 1.6038 1.6038 1.6289 1.6289 1.6344 1.6344 1.6514 1.6514 1.6538 1.6538 1.6815 1.6815 1.6875 1.6875 1.7054 1.7054 1.7223 1.7223 1.7938 1.7938 1.8007 1.8007 2.0109 2.0109 2.0124 2.0124 2.0764 2.0764 2.1016 2.1016 2.1187 2.1187 2.2010 2.2010 2.2355 2.2355 2.2490 2.2490 2.2684 2.2684 2.3478 2.3478 2.4127 2.4127 2.4467 2.4467 2.4745 2.4745 2.5023 2.5023 2.5069 2.5069 2.5100 2.5100 2.5593 2.5593 2.6443 2.6443 3.1613 3.1613 3.2104 3.2104 3.5375 3.5375 3.5564 3.5564 3.8019 3.8019 3.8997 3.8997 7.5438 7.5438 7.5497 7.5497 7.9297 7.9297 7.9417 7.9417 8.0588 8.0588 8.0693 8.0693 9.6160 9.6160 9.6323 9.6323 k = 0.5000 0.5000 0.4074 ( 7664 PWs) bands (ev): -3.3796 -3.3796 -3.3796 -3.3796 1.5939 1.5939 1.6142 1.6142 1.6332 1.6332 1.6395 1.6395 1.6552 1.6552 1.6619 1.6619 1.6814 1.6814 1.6851 1.6851 1.7020 1.7020 1.7186 1.7186 1.7953 1.7953 1.8018 1.8018 2.0143 2.0143 2.0202 2.0202 2.0779 2.0779 2.1040 2.1040 2.1190 2.1190 2.2028 2.2028 2.2227 2.2227 2.2411 2.2411 2.2639 2.2639 2.3326 2.3326 2.4122 2.4122 2.4441 2.4441 2.4778 2.4778 2.4947 2.4947 2.5009 2.5009 2.5087 2.5087 2.5565 2.5565 2.6354 2.6354 3.2032 3.2032 3.2489 3.2489 3.5150 3.5150 3.5310 3.5310 3.7414 3.7414 3.8212 3.8212 7.6559 7.6559 7.6617 7.6617 7.9376 7.9376 7.9456 7.9456 8.0492 8.0492 8.0566 8.0566 9.5207 9.5207 9.5335 9.5335 k = 0.5000 0.5000 0.4259 ( 7656 PWs) bands (ev): -3.3785 -3.3785 -3.3785 -3.3785 1.6217 1.6217 1.6237 1.6237 1.6375 1.6375 1.6442 1.6442 1.6563 1.6563 1.6713 1.6713 1.6814 1.6814 1.6828 1.6828 1.6987 1.6987 1.7140 1.7140 1.7975 1.7975 1.8032 1.8032 2.0197 2.0197 2.0275 2.0275 2.0799 2.0799 2.1063 2.1063 2.1188 2.1188 2.2034 2.2034 2.2063 2.2063 2.2388 2.2388 2.2592 2.2592 2.3146 2.3146 2.4124 2.4124 2.4399 2.4399 2.4809 2.4809 2.4861 2.4861 2.4992 2.4992 2.5084 2.5084 2.5571 2.5571 2.6260 2.6260 3.2489 3.2489 3.2890 3.2890 3.4968 3.4968 3.5098 3.5098 3.6829 3.6829 3.7452 3.7452 7.7583 7.7583 7.7637 7.7637 7.9466 7.9466 7.9515 7.9515 8.0396 8.0396 8.0443 8.0443 9.4308 9.4308 9.4407 9.4407 k = 0.5000 0.5000 0.4444 ( 7672 PWs) bands (ev): -3.3777 -3.3777 -3.3776 -3.3776 1.6321 1.6321 1.6416 1.6416 1.6435 1.6435 1.6480 1.6480 1.6570 1.6570 1.6788 1.6788 1.6810 1.6810 1.6820 1.6820 1.6958 1.6958 1.7086 1.7086 1.8001 1.8001 1.8045 1.8045 2.0272 2.0272 2.0341 2.0341 2.0829 2.0829 2.1085 2.1085 2.1182 2.1182 2.1815 2.1815 2.2117 2.2117 2.2382 2.2382 2.2545 2.2545 2.2952 2.2952 2.4134 2.4134 2.4347 2.4347 2.4831 2.4831 2.4837 2.4837 2.4974 2.4974 2.5056 2.5056 2.5613 2.5613 2.6162 2.6162 3.2984 3.2984 3.3309 3.3309 3.4831 3.4831 3.4929 3.4929 3.6265 3.6265 3.6720 3.6720 7.8457 7.8457 7.8507 7.8507 7.9573 7.9573 7.9602 7.9602 8.0303 8.0303 8.0330 8.0330 9.3508 9.3508 9.3582 9.3582 k = 0.5000 0.5000 0.4630 ( 7664 PWs) bands (ev): -3.3770 -3.3770 -3.3770 -3.3770 1.6395 1.6395 1.6454 1.6454 1.6505 1.6505 1.6553 1.6553 1.6599 1.6599 1.6781 1.6781 1.6839 1.6839 1.6858 1.6858 1.6938 1.6938 1.7030 1.7030 1.8028 1.8028 1.8057 1.8057 2.0355 2.0355 2.0397 2.0397 2.0882 2.0882 2.1106 2.1106 2.1172 2.1172 2.1583 2.1583 2.2196 2.2196 2.2389 2.2389 2.2501 2.2501 2.2761 2.2761 2.4152 2.4152 2.4296 2.4296 2.4839 2.4839 2.4864 2.4864 2.4955 2.4955 2.5013 2.5013 2.5681 2.5681 2.6061 2.6061 3.3515 3.3515 3.3745 3.3745 3.4738 3.4738 3.4803 3.4803 3.5724 3.5724 3.6019 3.6019 7.9094 7.9094 7.9133 7.9133 7.9729 7.9729 7.9744 7.9744 8.0221 8.0221 8.0232 8.0232 9.2866 9.2866 9.2916 9.2916 k = 0.5000 0.5000 0.4815 ( 7664 PWs) bands (ev): -3.3767 -3.3767 -3.3767 -3.3767 1.6457 1.6457 1.6485 1.6485 1.6514 1.6514 1.6541 1.6541 1.6682 1.6682 1.6758 1.6758 1.6875 1.6875 1.6900 1.6900 1.6929 1.6929 1.6974 1.6974 1.8048 1.8048 1.8064 1.8064 2.0421 2.0421 2.0435 2.0435 2.0982 2.0982 2.1126 2.1126 2.1159 2.1159 2.1352 2.1352 2.2299 2.2299 2.2405 2.2405 2.2462 2.2462 2.2584 2.2584 2.4177 2.4177 2.4249 2.4249 2.4869 2.4869 2.4889 2.4889 2.4934 2.4934 2.4962 2.4962 2.5766 2.5766 2.5960 2.5960 3.4078 3.4078 3.4196 3.4196 3.4688 3.4688 3.4717 3.4717 3.5212 3.5212 3.5355 3.5355 7.9400 7.9400 7.9419 7.9419 7.9962 7.9962 7.9964 7.9964 8.0156 8.0156 8.0158 8.0158 9.2447 9.2447 9.2472 9.2472 k = 0.5000 0.5000 0.5000 ( 7664 PWs) bands (ev): -3.3765 -3.3765 -3.3765 -3.3765 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6506 1.6729 1.6729 1.6729 1.6729 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.6921 1.8061 1.8061 1.8061 1.8061 2.0447 2.0447 2.0447 2.0447 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.1143 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.2429 2.4210 2.4210 2.4210 2.4210 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.4912 2.5861 2.5861 2.5861 2.5861 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4612 3.4850 3.4850 3.4850 3.4850 7.9479 7.9479 7.9479 7.9479 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 8.0104 9.2307 9.2307 9.2307 9.2307 Writing output data file Ag3P.save init_run : 0.53s CPU 0.61s WALL ( 1 calls) electrons : 281.19s CPU 284.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 281.19s CPU 284.18s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.12s WALL ( 209 calls) cegterg : 252.30s CPU 254.43s WALL ( 261 calls) Called by sum_band: Called by *egterg: h_psi : 148.49s CPU 149.67s WALL ( 3983 calls) s_psi : 19.65s CPU 19.63s WALL ( 3983 calls) g_psi : 0.49s CPU 0.44s WALL ( 3513 calls) cdiaghg : 71.16s CPU 71.76s WALL ( 3722 calls) cegterg:over : 14.18s CPU 14.10s WALL ( 3513 calls) cegterg:upda : 11.01s CPU 11.27s WALL ( 3513 calls) cegterg:last : 6.89s CPU 6.89s WALL ( 679 calls) cdiaghg:chol : 4.26s CPU 4.32s WALL ( 3722 calls) cdiaghg:inve : 3.00s CPU 3.20s WALL ( 3722 calls) cdiaghg:para : 5.84s CPU 5.80s WALL ( 7444 calls) Called by h_psi: h_psi:vloc : 118.14s CPU 119.46s WALL ( 3983 calls) h_psi:vnl : 29.85s CPU 29.72s WALL ( 3983 calls) add_vuspsi : 16.39s CPU 16.28s WALL ( 3983 calls) General routines calbec : 13.44s CPU 13.43s WALL ( 3983 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 112.58s CPU 114.01s WALL ( 820552 calls) davcio : 0.18s CPU 0.41s WALL ( 418 calls) Parallel routines fft_scatter : 39.00s CPU 39.88s WALL ( 820567 calls) PWSCF : 5m 6.31s CPU 5m23.24s WALL This run was terminated on: 19: 5:22 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=