Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 18:58:24 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: ./Ag3As.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 53 53 15 1805 1805 275 Max 54 54 17 1810 1810 278 Sum 1941 1941 561 65117 65117 9939 bravais-lattice index = 14 lattice parameter (alat) = 11.5727 a.u. unit-cell volume = 1549.8942 (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)= 11.572682 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ag 11.00 107.86820 Ag( 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= 203 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 2) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0049261 k( 3) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0049261 k( 4) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0049261 k( 5) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0049261 k( 6) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0049261 k( 7) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0049261 k( 8) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0049261 k( 9) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0049261 k( 10) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0049261 k( 11) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0049261 k( 12) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0049261 k( 13) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0049261 k( 14) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0049261 k( 15) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0049261 k( 16) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0049261 k( 17) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0049261 k( 18) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0049261 k( 19) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0049261 k( 20) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0049261 k( 21) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0049261 k( 22) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0049261 k( 23) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0049261 k( 24) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0049261 k( 25) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0049261 k( 26) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0049261 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0049261 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0049261 k( 29) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0049261 k( 30) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0049261 k( 31) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0049261 k( 32) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0049261 k( 33) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0049261 k( 34) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0049261 k( 35) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0049261 k( 36) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0049261 k( 37) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0049261 k( 38) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0049261 k( 39) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0049261 k( 40) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0049261 k( 41) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0049261 k( 42) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0049261 k( 43) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0049261 k( 44) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0049261 k( 45) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0049261 k( 46) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0049261 k( 47) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0049261 k( 48) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0049261 k( 49) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0049261 k( 50) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0049261 k( 51) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0049261 k( 52) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0049261 k( 53) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0049261 k( 54) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0049261 k( 55) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0049261 k( 56) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0049261 k( 57) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0049261 k( 58) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0049261 k( 59) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0049261 k( 60) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0049261 k( 61) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0049261 k( 62) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0049261 k( 63) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0049261 k( 64) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0049261 k( 65) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0049261 k( 66) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0049261 k( 67) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0049261 k( 68) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0049261 k( 69) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0049261 k( 70) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0049261 k( 71) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0049261 k( 72) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0049261 k( 73) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0049261 k( 74) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0049261 k( 75) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0049261 k( 76) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0049261 k( 77) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0049261 k( 78) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0049261 k( 79) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0049261 k( 80) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0049261 k( 81) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0049261 k( 82) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0049261 k( 83) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0049261 k( 84) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0049261 k( 85) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0049261 k( 86) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0049261 k( 87) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0049261 k( 88) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0049261 k( 89) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0049261 k( 90) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0049261 k( 91) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0049261 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 94) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0049261 k( 95) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0049261 k( 96) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0049261 k( 97) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0049261 k( 98) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0049261 k( 99) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0049261 k( 100) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0049261 k( 101) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0049261 k( 102) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0049261 k( 103) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0049261 k( 104) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0049261 k( 105) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0049261 k( 106) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0049261 k( 107) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0049261 k( 108) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0049261 k( 109) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0049261 k( 110) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0049261 k( 111) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0049261 k( 112) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0049261 k( 113) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0049261 k( 114) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0049261 k( 115) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0049261 k( 116) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0049261 k( 117) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0049261 k( 118) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0049261 k( 119) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0049261 k( 120) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0049261 k( 121) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0049261 k( 122) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0049261 k( 123) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0049261 k( 124) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0049261 k( 125) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0049261 k( 126) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0049261 k( 127) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0049261 k( 128) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0049261 k( 129) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0049261 k( 130) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0049261 k( 131) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0049261 k( 132) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0049261 k( 133) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0049261 k( 134) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0049261 k( 135) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0049261 k( 136) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0049261 k( 137) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0049261 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 140) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0049261 k( 141) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0049261 k( 142) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0049261 k( 143) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0049261 k( 144) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0049261 k( 145) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0049261 k( 146) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0049261 k( 147) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0049261 k( 148) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0049261 k( 149) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0049261 k( 150) = ( 0.3513514 0.5000000 0.3513513), wk = 0.0049261 k( 151) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0049261 k( 152) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0049261 k( 153) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0049261 k( 154) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0049261 k( 155) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0049261 k( 156) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0049261 k( 157) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0049261 k( 158) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0049261 k( 159) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0049261 k( 160) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0049261 k( 161) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0049261 k( 162) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0049261 k( 163) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0049261 k( 164) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0049261 k( 165) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0049261 k( 166) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0049261 k( 167) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0049261 k( 168) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0049261 k( 169) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0049261 k( 170) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0049261 k( 171) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0049261 k( 172) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0049261 k( 173) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0049261 k( 174) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0049261 k( 175) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0049261 k( 176) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0049261 k( 177) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0049261 k( 178) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0049261 k( 179) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0049261 k( 180) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0049261 k( 181) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0049261 k( 182) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0049261 k( 183) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0049261 k( 184) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0049261 k( 185) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0049261 k( 186) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0049261 k( 187) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0049261 k( 188) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0049261 k( 189) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0049261 k( 190) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0049261 k( 191) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0049261 k( 192) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0049261 k( 193) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0049261 k( 194) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0049261 k( 195) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0049261 k( 196) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0049261 k( 197) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0049261 k( 198) = ( 0.5000000 0.5000000 0.4038461), wk = 0.0049261 k( 199) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0049261 k( 200) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0049261 k( 201) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0049261 k( 202) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0049261 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 2) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0049261 k( 3) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0049261 k( 4) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0049261 k( 5) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0049261 k( 6) = ( 0.0000000 0.0961538 0.0000000), wk = 0.0049261 k( 7) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0049261 k( 8) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0049261 k( 9) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0049261 k( 10) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0049261 k( 11) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0049261 k( 12) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0049261 k( 13) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0049261 k( 14) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0049261 k( 15) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0049261 k( 16) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0049261 k( 17) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0049261 k( 18) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0049261 k( 19) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0049261 k( 20) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0049261 k( 21) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0049261 k( 22) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0049261 k( 23) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0049261 k( 24) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0049261 k( 25) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0049261 k( 26) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0049261 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0049261 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0049261 k( 29) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0049261 k( 30) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0049261 k( 31) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0049261 k( 32) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0049261 k( 33) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0049261 k( 34) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0049261 k( 35) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0049261 k( 36) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0049261 k( 37) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0049261 k( 38) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0049261 k( 39) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0049261 k( 40) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0049261 k( 41) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0049261 k( 42) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0049261 k( 43) = ( 0.2884615 0.5000000 0.0000000), wk = 0.0049261 k( 44) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0049261 k( 45) = ( 0.3269231 0.5000000 0.0000000), wk = 0.0049261 k( 46) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0049261 k( 47) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0049261 k( 48) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0049261 k( 49) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0049261 k( 50) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0049261 k( 51) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0049261 k( 52) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0049261 k( 53) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0049261 k( 54) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049261 k( 55) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049261 k( 56) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0049261 k( 57) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0049261 k( 58) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0049261 k( 59) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0049261 k( 60) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0049261 k( 61) = ( 0.4189189 0.4189189 0.0000000), wk = 0.0049261 k( 62) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0049261 k( 63) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0049261 k( 64) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0049261 k( 65) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0049261 k( 66) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0049261 k( 67) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0049261 k( 68) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0049261 k( 69) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0049261 k( 70) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0049261 k( 71) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0049261 k( 72) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0049261 k( 73) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0049261 k( 74) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0049261 k( 75) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0049261 k( 76) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0049261 k( 77) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0049261 k( 78) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0049261 k( 79) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0049261 k( 80) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0049261 k( 81) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0049261 k( 82) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0049261 k( 83) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0049261 k( 84) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0049261 k( 85) = ( 0.0945946 0.0945946 0.0000000), wk = 0.0049261 k( 86) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0049261 k( 87) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0049261 k( 88) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0049261 k( 89) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0049261 k( 90) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0049261 k( 91) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0049261 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 94) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0049261 k( 95) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0049261 k( 96) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0049261 k( 97) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0049261 k( 98) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0049261 k( 99) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0049261 k( 100) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0049261 k( 101) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0049261 k( 102) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0049261 k( 103) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0049261 k( 104) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0049261 k( 105) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0049261 k( 106) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0049261 k( 107) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0049261 k( 108) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0049261 k( 109) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0049261 k( 110) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0049261 k( 111) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0049261 k( 112) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0049261 k( 113) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0049261 k( 114) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0049261 k( 115) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0049261 k( 116) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0049261 k( 117) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0049261 k( 118) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0049261 k( 119) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0049261 k( 120) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0049261 k( 121) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0049261 k( 122) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0049261 k( 123) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0049261 k( 124) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0049261 k( 125) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0049261 k( 126) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0049261 k( 127) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0049261 k( 128) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0049261 k( 129) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0049261 k( 130) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0049261 k( 131) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0049261 k( 132) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0049261 k( 133) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0049261 k( 134) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0049261 k( 135) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0049261 k( 136) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0049261 k( 137) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0049261 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 140) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0049261 k( 141) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0049261 k( 142) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0049261 k( 143) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0049261 k( 144) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0049261 k( 145) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0049261 k( 146) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0049261 k( 147) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0049261 k( 148) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0049261 k( 149) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0049261 k( 150) = ( 0.3513514 0.5000000 0.3513514), wk = 0.0049261 k( 151) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0049261 k( 152) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0049261 k( 153) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0049261 k( 154) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0049261 k( 155) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0049261 k( 156) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0049261 k( 157) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0049261 k( 158) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0049261 k( 159) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0049261 k( 160) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0049261 k( 161) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0049261 k( 162) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0049261 k( 163) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0049261 k( 164) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0049261 k( 165) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0049261 k( 166) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0049261 k( 167) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0049261 k( 168) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0049261 k( 169) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0049261 k( 170) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0049261 k( 171) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0049261 k( 172) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0049261 k( 173) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0049261 k( 174) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0049261 k( 175) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0049261 k( 176) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0049261 k( 177) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049261 k( 178) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0049261 k( 179) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0049261 k( 180) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0049261 k( 181) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0049261 k( 182) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0049261 k( 183) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0049261 k( 184) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0049261 k( 185) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0049261 k( 186) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0049261 k( 187) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0049261 k( 188) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0049261 k( 189) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0049261 k( 190) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0049261 k( 191) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0049261 k( 192) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0049261 k( 193) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0049261 k( 194) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0049261 k( 195) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0049261 k( 196) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0049261 k( 197) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0049261 k( 198) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0049261 k( 199) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0049261 k( 200) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0049261 k( 201) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0049261 k( 202) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0049261 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 Dense grid: 65117 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.67 Mb ( 474, 92) NL pseudopotentials 0.84 Mb ( 237, 232) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1810) G-vector shells 0.00 Mb ( 405) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.66 Mb ( 474, 368) Each subspace H/S matrix 0.13 Mb ( 92, 92) Each matrix 0.65 Mb ( 232, 2, 92) The potential is recalculated from file : ./Ag3As.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 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.4 secs Computing kpt #: 6 total cpu time spent up to now is 10.7 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.5 secs Computing kpt #: 9 total cpu time spent up to now is 14.8 secs Computing kpt #: 10 total cpu time spent up to now is 16.2 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 total cpu time spent up to now is 20.4 secs Computing kpt #: 14 total cpu time spent up to now is 21.9 secs Computing kpt #: 15 total cpu time spent up to now is 23.5 secs Computing kpt #: 16 total cpu time spent up to now is 24.7 secs Computing kpt #: 17 total cpu time spent up to now is 26.0 secs Computing kpt #: 18 total cpu time spent up to now is 27.3 secs Computing kpt #: 19 total cpu time spent up to now is 28.6 secs Computing kpt #: 20 total cpu time spent up to now is 29.9 secs Computing kpt #: 21 total cpu time spent up to now is 31.2 secs Computing kpt #: 22 total cpu time spent up to now is 32.5 secs Computing kpt #: 23 total cpu time spent up to now is 34.0 secs Computing kpt #: 24 total cpu time spent up to now is 35.3 secs Computing kpt #: 25 total cpu time spent up to now is 36.7 secs Computing kpt #: 26 total cpu time spent up to now is 38.1 secs Computing kpt #: 27 total cpu time spent up to now is 39.4 secs Computing kpt #: 28 total cpu time spent up to now is 40.8 secs Computing kpt #: 29 total cpu time spent up to now is 42.1 secs Computing kpt #: 30 total cpu time spent up to now is 43.4 secs Computing kpt #: 31 total cpu time spent up to now is 44.7 secs Computing kpt #: 32 total cpu time spent up to now is 46.0 secs Computing kpt #: 33 total cpu time spent up to now is 47.2 secs Computing kpt #: 34 total cpu time spent up to now is 48.5 secs Computing kpt #: 35 total cpu time spent up to now is 49.7 secs Computing kpt #: 36 total cpu time spent up to now is 50.9 secs Computing kpt #: 37 total cpu time spent up to now is 52.1 secs Computing kpt #: 38 total cpu time spent up to now is 53.3 secs Computing kpt #: 39 total cpu time spent up to now is 54.5 secs Computing kpt #: 40 total cpu time spent up to now is 55.7 secs Computing kpt #: 41 total cpu time spent up to now is 56.8 secs Computing kpt #: 42 total cpu time spent up to now is 58.0 secs Computing kpt #: 43 total cpu time spent up to now is 59.1 secs Computing kpt #: 44 total cpu time spent up to now is 60.3 secs Computing kpt #: 45 total cpu time spent up to now is 61.4 secs Computing kpt #: 46 total cpu time spent up to now is 62.6 secs Computing kpt #: 47 total cpu time spent up to now is 63.7 secs Computing kpt #: 48 total cpu time spent up to now is 64.9 secs Computing kpt #: 49 total cpu time spent up to now is 66.0 secs Computing kpt #: 50 total cpu time spent up to now is 67.2 secs Computing kpt #: 51 total cpu time spent up to now is 68.3 secs Computing kpt #: 52 total cpu time spent up to now is 69.5 secs Computing kpt #: 53 total cpu time spent up to now is 70.7 secs Computing kpt #: 54 total cpu time spent up to now is 71.8 secs Computing kpt #: 55 total cpu time spent up to now is 72.9 secs Computing kpt #: 56 total cpu time spent up to now is 74.1 secs Computing kpt #: 57 total cpu time spent up to now is 75.2 secs Computing kpt #: 58 total cpu time spent up to now is 76.4 secs Computing kpt #: 59 total cpu time spent up to now is 77.6 secs Computing kpt #: 60 total cpu time spent up to now is 78.7 secs Computing kpt #: 61 total cpu time spent up to now is 79.9 secs Computing kpt #: 62 total cpu time spent up to now is 81.0 secs Computing kpt #: 63 total cpu time spent up to now is 82.1 secs Computing kpt #: 64 total cpu time spent up to now is 83.3 secs Computing kpt #: 65 total cpu time spent up to now is 84.4 secs Computing kpt #: 66 total cpu time spent up to now is 85.5 secs Computing kpt #: 67 total cpu time spent up to now is 86.7 secs Computing kpt #: 68 total cpu time spent up to now is 87.8 secs Computing kpt #: 69 total cpu time spent up to now is 89.0 secs Computing kpt #: 70 total cpu time spent up to now is 90.1 secs Computing kpt #: 71 total cpu time spent up to now is 91.2 secs Computing kpt #: 72 total cpu time spent up to now is 92.3 secs Computing kpt #: 73 total cpu time spent up to now is 93.5 secs Computing kpt #: 74 total cpu time spent up to now is 94.6 secs Computing kpt #: 75 total cpu time spent up to now is 95.8 secs Computing kpt #: 76 total cpu time spent up to now is 96.9 secs Computing kpt #: 77 total cpu time spent up to now is 98.1 secs Computing kpt #: 78 total cpu time spent up to now is 99.5 secs Computing kpt #: 79 total cpu time spent up to now is 100.7 secs Computing kpt #: 80 total cpu time spent up to now is 102.0 secs Computing kpt #: 81 total cpu time spent up to now is 103.5 secs Computing kpt #: 82 total cpu time spent up to now is 105.0 secs Computing kpt #: 83 total cpu time spent up to now is 106.6 secs Computing kpt #: 84 total cpu time spent up to now is 108.1 secs Computing kpt #: 85 total cpu time spent up to now is 109.5 secs Computing kpt #: 86 total cpu time spent up to now is 110.9 secs Computing kpt #: 87 total cpu time spent up to now is 112.3 secs Computing kpt #: 88 total cpu time spent up to now is 113.9 secs Computing kpt #: 89 total cpu time spent up to now is 115.4 secs Computing kpt #: 90 total cpu time spent up to now is 116.8 secs Computing kpt #: 91 total cpu time spent up to now is 118.4 secs Computing kpt #: 92 total cpu time spent up to now is 119.9 secs Computing kpt #: 93 total cpu time spent up to now is 121.5 secs Computing kpt #: 94 total cpu time spent up to now is 123.1 secs Computing kpt #: 95 total cpu time spent up to now is 124.6 secs Computing kpt #: 96 total cpu time spent up to now is 126.2 secs Computing kpt #: 97 total cpu time spent up to now is 127.8 secs Computing kpt #: 98 total cpu time spent up to now is 129.7 secs Computing kpt #: 99 total cpu time spent up to now is 131.1 secs Computing kpt #: 100 total cpu time spent up to now is 132.5 secs Computing kpt #: 101 total cpu time spent up to now is 133.8 secs Computing kpt #: 102 total cpu time spent up to now is 135.4 secs Computing kpt #: 103 total cpu time spent up to now is 136.9 secs Computing kpt #: 104 total cpu time spent up to now is 138.5 secs Computing kpt #: 105 total cpu time spent up to now is 140.0 secs Computing kpt #: 106 total cpu time spent up to now is 141.6 secs Computing kpt #: 107 total cpu time spent up to now is 143.1 secs Computing kpt #: 108 total cpu time spent up to now is 144.6 secs Computing kpt #: 109 total cpu time spent up to now is 146.1 secs Computing kpt #: 110 total cpu time spent up to now is 147.5 secs Computing kpt #: 111 total cpu time spent up to now is 148.8 secs Computing kpt #: 112 total cpu time spent up to now is 150.1 secs Computing kpt #: 113 total cpu time spent up to now is 151.4 secs Computing kpt #: 114 total cpu time spent up to now is 152.7 secs Computing kpt #: 115 total cpu time spent up to now is 154.0 secs Computing kpt #: 116 total cpu time spent up to now is 155.2 secs Computing kpt #: 117 total cpu time spent up to now is 156.5 secs Computing kpt #: 118 total cpu time spent up to now is 157.8 secs Computing kpt #: 119 total cpu time spent up to now is 159.1 secs Computing kpt #: 120 total cpu time spent up to now is 160.6 secs Computing kpt #: 121 total cpu time spent up to now is 162.1 secs Computing kpt #: 122 total cpu time spent up to now is 163.7 secs Computing kpt #: 123 total cpu time spent up to now is 165.2 secs Computing kpt #: 124 total cpu time spent up to now is 166.6 secs Computing kpt #: 125 total cpu time spent up to now is 167.8 secs Computing kpt #: 126 total cpu time spent up to now is 169.6 secs Computing kpt #: 127 total cpu time spent up to now is 170.8 secs Computing kpt #: 128 total cpu time spent up to now is 171.9 secs Computing kpt #: 129 total cpu time spent up to now is 173.1 secs Computing kpt #: 130 total cpu time spent up to now is 174.2 secs Computing kpt #: 131 total cpu time spent up to now is 175.3 secs Computing kpt #: 132 total cpu time spent up to now is 176.4 secs Computing kpt #: 133 total cpu time spent up to now is 177.5 secs Computing kpt #: 134 total cpu time spent up to now is 178.7 secs Computing kpt #: 135 total cpu time spent up to now is 179.7 secs Computing kpt #: 136 total cpu time spent up to now is 180.8 secs Computing kpt #: 137 total cpu time spent up to now is 181.9 secs Computing kpt #: 138 total cpu time spent up to now is 183.0 secs Computing kpt #: 139 total cpu time spent up to now is 184.0 secs Computing kpt #: 140 total cpu time spent up to now is 185.1 secs Computing kpt #: 141 total cpu time spent up to now is 186.2 secs Computing kpt #: 142 total cpu time spent up to now is 187.3 secs Computing kpt #: 143 total cpu time spent up to now is 188.4 secs Computing kpt #: 144 total cpu time spent up to now is 189.5 secs Computing kpt #: 145 total cpu time spent up to now is 190.6 secs Computing kpt #: 146 total cpu time spent up to now is 191.8 secs Computing kpt #: 147 total cpu time spent up to now is 192.9 secs Computing kpt #: 148 total cpu time spent up to now is 194.1 secs Computing kpt #: 149 total cpu time spent up to now is 195.3 secs Computing kpt #: 150 total cpu time spent up to now is 196.6 secs Computing kpt #: 151 total cpu time spent up to now is 197.8 secs Computing kpt #: 152 total cpu time spent up to now is 199.1 secs Computing kpt #: 153 total cpu time spent up to now is 200.4 secs Computing kpt #: 154 total cpu time spent up to now is 201.7 secs Computing kpt #: 155 total cpu time spent up to now is 203.3 secs Computing kpt #: 156 total cpu time spent up to now is 204.7 secs Computing kpt #: 157 total cpu time spent up to now is 206.0 secs Computing kpt #: 158 total cpu time spent up to now is 207.2 secs Computing kpt #: 159 total cpu time spent up to now is 208.5 secs Computing kpt #: 160 total cpu time spent up to now is 209.7 secs Computing kpt #: 161 total cpu time spent up to now is 210.9 secs Computing kpt #: 162 total cpu time spent up to now is 212.1 secs Computing kpt #: 163 total cpu time spent up to now is 213.3 secs Computing kpt #: 164 total cpu time spent up to now is 214.5 secs Computing kpt #: 165 total cpu time spent up to now is 215.7 secs Computing kpt #: 166 total cpu time spent up to now is 216.9 secs Computing kpt #: 167 total cpu time spent up to now is 218.1 secs Computing kpt #: 168 total cpu time spent up to now is 219.3 secs Computing kpt #: 169 total cpu time spent up to now is 220.5 secs Computing kpt #: 170 total cpu time spent up to now is 221.8 secs Computing kpt #: 171 total cpu time spent up to now is 223.1 secs Computing kpt #: 172 total cpu time spent up to now is 224.3 secs Computing kpt #: 173 total cpu time spent up to now is 225.6 secs Computing kpt #: 174 total cpu time spent up to now is 226.9 secs Computing kpt #: 175 total cpu time spent up to now is 228.2 secs Computing kpt #: 176 total cpu time spent up to now is 229.6 secs Computing kpt #: 177 total cpu time spent up to now is 230.7 secs Computing kpt #: 178 total cpu time spent up to now is 231.8 secs Computing kpt #: 179 total cpu time spent up to now is 232.9 secs Computing kpt #: 180 total cpu time spent up to now is 234.1 secs Computing kpt #: 181 total cpu time spent up to now is 235.3 secs Computing kpt #: 182 total cpu time spent up to now is 236.5 secs Computing kpt #: 183 total cpu time spent up to now is 237.7 secs Computing kpt #: 184 total cpu time spent up to now is 239.3 secs Computing kpt #: 185 total cpu time spent up to now is 240.8 secs Computing kpt #: 186 total cpu time spent up to now is 242.3 secs Computing kpt #: 187 total cpu time spent up to now is 243.9 secs Computing kpt #: 188 total cpu time spent up to now is 245.4 secs Computing kpt #: 189 total cpu time spent up to now is 246.8 secs Computing kpt #: 190 total cpu time spent up to now is 248.1 secs Computing kpt #: 191 total cpu time spent up to now is 249.3 secs Computing kpt #: 192 total cpu time spent up to now is 250.5 secs Computing kpt #: 193 total cpu time spent up to now is 251.7 secs Computing kpt #: 194 total cpu time spent up to now is 252.9 secs Computing kpt #: 195 total cpu time spent up to now is 254.0 secs Computing kpt #: 196 total cpu time spent up to now is 255.1 secs Computing kpt #: 197 total cpu time spent up to now is 256.2 secs Computing kpt #: 198 total cpu time spent up to now is 257.4 secs Computing kpt #: 199 total cpu time spent up to now is 258.4 secs Computing kpt #: 200 total cpu time spent up to now is 259.5 secs Computing kpt #: 201 total cpu time spent up to now is 260.6 secs Computing kpt #: 202 total cpu time spent up to now is 261.7 secs Computing kpt #: 203 total cpu time spent up to now is 262.8 secs ethr = 1.32E-08, avg # of iterations = 16.7 total cpu time spent up to now is 262.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8217 PWs) bands (ev): -4.5949 -4.5949 -4.3543 -4.3543 0.9002 0.9002 0.9002 0.9002 0.9057 0.9057 1.0917 1.0917 1.0917 1.0917 1.0936 1.0936 1.1830 1.1830 1.1830 1.1830 1.4168 1.4168 1.4851 1.4851 1.4851 1.4851 1.4993 1.4993 1.6467 1.6467 1.9944 1.9944 1.9944 1.9944 2.0283 2.0283 2.0283 2.0283 2.0578 2.0578 2.0728 2.0728 2.1360 2.1360 2.1610 2.1610 2.1733 2.1733 2.1733 2.1733 2.2208 2.2208 2.2208 2.2208 2.3322 2.3322 2.3322 2.3322 2.4180 2.4180 2.4380 2.4380 2.4380 2.4380 2.8066 2.8066 3.7688 3.7688 3.8167 3.8167 3.8167 3.8167 4.9286 4.9286 4.9286 4.9286 5.1716 5.1716 5.3697 5.3697 5.3697 5.3697 8.5631 8.5631 8.5631 8.5631 9.4445 9.4445 9.5426 9.5426 9.5426 9.5426 k = 0.0000 0.0192-0.0000 ( 8217 PWs) bands (ev): -4.5945 -4.5945 -4.3544 -4.3544 0.9001 0.9001 0.9008 0.9008 0.9060 0.9060 1.0919 1.0919 1.0923 1.0923 1.0940 1.0940 1.1830 1.1830 1.1834 1.1834 1.4166 1.4166 1.4835 1.4835 1.4851 1.4851 1.5012 1.5012 1.6460 1.6460 1.9940 1.9940 1.9940 1.9940 2.0281 2.0281 2.0284 2.0284 2.0555 2.0555 2.0729 2.0729 2.1368 2.1368 2.1589 2.1589 2.1701 2.1701 2.1731 2.1731 2.2213 2.2213 2.2256 2.2256 2.3320 2.3320 2.3324 2.3324 2.4179 2.4179 2.4379 2.4379 2.4382 2.4382 2.8066 2.8066 3.7655 3.7655 3.8106 3.8106 3.8176 3.8176 4.9283 4.9283 4.9432 4.9432 5.1719 5.1719 5.3682 5.3682 5.3708 5.3708 8.5400 8.5400 8.5670 8.5670 9.4357 9.4357 9.5236 9.5236 9.5242 9.5242 k = 0.0000 0.0385-0.0000 ( 8217 PWs) bands (ev): -4.5936 -4.5936 -4.3547 -4.3547 0.8999 0.8999 0.9011 0.9011 0.9081 0.9081 1.0924 1.0924 1.0939 1.0939 1.0953 1.0953 1.1829 1.1829 1.1844 1.1844 1.4162 1.4162 1.4799 1.4799 1.4851 1.4851 1.5053 1.5053 1.6441 1.6441 1.9928 1.9928 1.9928 1.9928 2.0273 2.0273 2.0288 2.0288 2.0488 2.0488 2.0732 2.0732 2.1392 2.1392 2.1498 2.1498 2.1670 2.1670 2.1726 2.1726 2.2227 2.2227 2.2361 2.2361 2.3314 2.3314 2.3329 2.3329 2.4177 2.4177 2.4376 2.4376 2.4387 2.4387 2.8067 2.8067 3.7487 3.7487 3.8007 3.8007 3.8203 3.8203 4.9276 4.9276 4.9855 4.9855 5.1724 5.1724 5.3635 5.3635 5.3740 5.3740 8.4762 8.4762 8.5787 8.5787 9.4063 9.4063 9.4750 9.4750 9.4787 9.4787 k = 0.0000 0.0577-0.0000 ( 8221 PWs) bands (ev): -4.5920 -4.5920 -4.3553 -4.3553 0.8995 0.8995 0.8998 0.8998 0.9135 0.9135 1.0933 1.0933 1.0964 1.0964 1.0977 1.0977 1.1828 1.1828 1.1862 1.1862 1.4156 1.4156 1.4761 1.4761 1.4850 1.4850 1.5099 1.5099 1.6408 1.6408 1.9907 1.9907 1.9908 1.9908 2.0256 2.0256 2.0294 2.0294 2.0386 2.0386 2.0736 2.0736 2.1357 2.1357 2.1428 2.1428 2.1661 2.1661 2.1717 2.1717 2.2247 2.2247 2.2479 2.2479 2.3305 2.3305 2.3342 2.3342 2.4171 2.4171 2.4372 2.4372 2.4396 2.4396 2.8069 2.8069 3.7103 3.7103 3.7991 3.7991 3.8247 3.8247 4.9269 4.9269 5.0513 5.0513 5.1725 5.1725 5.3558 5.3558 5.3798 5.3798 8.3833 8.3833 8.5981 8.5981 9.3574 9.3574 9.4106 9.4106 9.4114 9.4114 k = 0.0000 0.0769-0.0000 ( 8205 PWs) bands (ev): -4.5898 -4.5898 -4.3560 -4.3560 0.8973 0.8973 0.8990 0.8990 0.9219 0.9219 1.0946 1.0946 1.0994 1.0994 1.1015 1.1015 1.1827 1.1827 1.1887 1.1887 1.4149 1.4149 1.4728 1.4728 1.4849 1.4849 1.5147 1.5147 1.6362 1.6362 1.9880 1.9880 1.9881 1.9881 2.0196 2.0196 2.0290 2.0290 2.0301 2.0301 2.0740 2.0740 2.1203 2.1203 2.1471 2.1471 2.1659 2.1659 2.1709 2.1709 2.2270 2.2270 2.2588 2.2588 2.3292 2.3292 2.3364 2.3364 2.4161 2.4161 2.4369 2.4369 2.4410 2.4410 2.8068 2.8068 3.6569 3.6569 3.8037 3.8037 3.8309 3.8309 4.9269 4.9269 5.1361 5.1361 5.1711 5.1711 5.3451 5.3451 5.3888 5.3888 8.2722 8.2722 8.6248 8.6248 9.2963 9.2963 9.3242 9.3242 9.3396 9.3396 k = 0.0000 0.0962-0.0000 ( 8209 PWs) bands (ev): -4.5869 -4.5869 -4.3570 -4.3570 0.8940 0.8940 0.8984 0.8984 0.9328 0.9328 1.0961 1.0961 1.1027 1.1027 1.1065 1.1065 1.1826 1.1826 1.1918 1.1918 1.4141 1.4141 1.4699 1.4699 1.4848 1.4848 1.5192 1.5192 1.6304 1.6304 1.9844 1.9844 1.9847 1.9847 2.0044 2.0044 2.0254 2.0254 2.0308 2.0308 2.0737 2.0737 2.1053 2.1053 2.1517 2.1517 2.1659 2.1659 2.1701 2.1701 2.2293 2.2293 2.2676 2.2676 2.3275 2.3275 2.3398 2.3398 2.4145 2.4145 2.4369 2.4369 2.4429 2.4429 2.8066 2.8066 3.5953 3.5953 3.8116 3.8116 3.8388 3.8388 4.9283 4.9283 5.1674 5.1674 5.2353 5.2353 5.3316 5.3316 5.4013 5.4013 8.1507 8.1507 8.6588 8.6588 9.2147 9.2147 9.2372 9.2372 9.2669 9.2669 k = 0.0000 0.1154-0.0000 ( 8193 PWs) bands (ev): -4.5835 -4.5835 -4.3583 -4.3583 0.8899 0.8899 0.8975 0.8975 0.9459 0.9459 1.0980 1.0980 1.1068 1.1068 1.1126 1.1126 1.1824 1.1824 1.1958 1.1958 1.4134 1.4134 1.4678 1.4678 1.4846 1.4846 1.5234 1.5234 1.6234 1.6234 1.9786 1.9786 1.9807 1.9807 1.9872 1.9872 2.0232 2.0232 2.0315 2.0315 2.0711 2.0711 2.0929 2.0929 2.1556 2.1556 2.1660 2.1660 2.1700 2.1700 2.2315 2.2315 2.2739 2.2739 2.3255 2.3255 2.3448 2.3448 2.4123 2.4123 2.4374 2.4374 2.4455 2.4455 2.8059 2.8059 3.5295 3.5295 3.8219 3.8219 3.8484 3.8484 4.9320 4.9320 5.1608 5.1608 5.3126 5.3126 5.3484 5.3484 5.4177 5.4177 8.0238 8.0238 8.6995 8.6995 9.1034 9.1034 9.1700 9.1700 9.1955 9.1955 k = 0.0000 0.1346-0.0000 ( 8181 PWs) bands (ev): -4.5795 -4.5795 -4.3598 -4.3598 0.8852 0.8852 0.8965 0.8965 0.9613 0.9613 1.1001 1.1001 1.1114 1.1114 1.1195 1.1195 1.1824 1.1824 1.2005 1.2005 1.4130 1.4130 1.4663 1.4663 1.4844 1.4844 1.5273 1.5273 1.6154 1.6154 1.9613 1.9613 1.9761 1.9761 1.9787 1.9787 2.0209 2.0209 2.0321 2.0321 2.0629 2.0629 2.0866 2.0866 2.1580 2.1580 2.1661 2.1661 2.1711 2.1711 2.2334 2.2334 2.2775 2.2775 2.3230 2.3230 2.3511 2.3511 2.4097 2.4097 2.4384 2.4384 2.4489 2.4489 2.8046 2.8046 3.4621 3.4621 3.8343 3.8343 3.8597 3.8597 4.9385 4.9385 5.1510 5.1510 5.2944 5.2944 5.4378 5.4378 5.4665 5.4665 7.8947 7.8947 8.7463 8.7463 8.9852 8.9852 9.1060 9.1060 9.1268 9.1268 k = 0.0000 0.1538-0.0000 ( 8177 PWs) bands (ev): -4.5749 -4.5749 -4.3615 -4.3615 0.8800 0.8800 0.8953 0.8953 0.9788 0.9788 1.1024 1.1024 1.1164 1.1164 1.1273 1.1273 1.1824 1.1824 1.2059 1.2059 1.4130 1.4130 1.4654 1.4654 1.4841 1.4841 1.5308 1.5308 1.6062 1.6062 1.9387 1.9387 1.9707 1.9707 1.9737 1.9737 2.0185 2.0185 2.0321 2.0321 2.0511 2.0511 2.0850 2.0850 2.1582 2.1582 2.1662 2.1662 2.1737 2.1737 2.2348 2.2348 2.2788 2.2788 2.3202 2.3202 2.3578 2.3578 2.4067 2.4067 2.4398 2.4398 2.4531 2.4531 2.8026 2.8026 3.3946 3.3946 3.8485 3.8485 3.8726 3.8726 4.9482 4.9482 5.1382 5.1382 5.2722 5.2722 5.4614 5.4614 5.5925 5.5925 7.7654 7.7654 8.7985 8.7985 8.8649 8.8649 9.0452 9.0452 9.0622 9.0622 k = 0.0000 0.1731-0.0000 ( 8181 PWs) bands (ev): -4.5699 -4.5699 -4.3635 -4.3635 0.8743 0.8743 0.8938 0.8938 0.9982 0.9982 1.1050 1.1050 1.1219 1.1219 1.1358 1.1358 1.1826 1.1826 1.2121 1.2121 1.4135 1.4135 1.4649 1.4649 1.4838 1.4838 1.5338 1.5338 1.5960 1.5960 1.9149 1.9149 1.9644 1.9644 1.9687 1.9687 2.0159 2.0159 2.0298 2.0298 2.0409 2.0409 2.0848 2.0848 2.1569 2.1569 2.1663 2.1663 2.1769 2.1769 2.2358 2.2358 2.2783 2.2783 2.3170 2.3170 2.3645 2.3645 2.4036 2.4036 2.4416 2.4416 2.4583 2.4583 2.7998 2.7998 3.3284 3.3284 3.8645 3.8645 3.8872 3.8872 4.9614 4.9614 5.1231 5.1231 5.2474 5.2474 5.4882 5.4882 5.7233 5.7233 7.6371 7.6371 8.7446 8.7446 8.8542 8.8542 8.9881 8.9881 9.0036 9.0036 k = 0.0000 0.1923-0.0000 ( 8173 PWs) bands (ev): -4.5644 -4.5644 -4.3658 -4.3658 0.8684 0.8684 0.8922 0.8922 1.0194 1.0194 1.1077 1.1077 1.1276 1.1276 1.1448 1.1448 1.1832 1.1832 1.2191 1.2191 1.4146 1.4146 1.4648 1.4648 1.4834 1.4834 1.5366 1.5366 1.5848 1.5848 1.8906 1.8906 1.9573 1.9573 1.9634 1.9634 2.0132 2.0132 2.0216 2.0216 2.0374 2.0374 2.0849 2.0849 2.1546 2.1546 2.1663 2.1663 2.1798 2.1798 2.2363 2.2363 2.2768 2.2768 2.3134 2.3134 2.3704 2.3704 2.4005 2.4005 2.4439 2.4439 2.4644 2.4644 2.7960 2.7960 3.2641 3.2641 3.8821 3.8821 3.9033 3.9033 4.9776 4.9776 5.1066 5.1066 5.2202 5.2202 5.5181 5.5181 5.8574 5.8574 7.5109 7.5109 8.6262 8.6262 8.9004 8.9004 8.9353 8.9353 8.9635 8.9635 k = 0.0000 0.2115-0.0000 ( 8173 PWs) bands (ev): -4.5584 -4.5584 -4.3683 -4.3683 0.8622 0.8622 0.8903 0.8903 1.0419 1.0419 1.1105 1.1105 1.1334 1.1334 1.1544 1.1544 1.1843 1.1843 1.2268 1.2268 1.4163 1.4163 1.4650 1.4650 1.4830 1.4830 1.5391 1.5391 1.5726 1.5726 1.8664 1.8664 1.9493 1.9493 1.9578 1.9578 2.0104 2.0104 2.0115 2.0115 2.0369 2.0369 2.0849 2.0849 2.1517 2.1517 2.1662 2.1662 2.1820 2.1820 2.2360 2.2360 2.2744 2.2744 2.3095 2.3095 2.3753 2.3753 2.3973 2.3973 2.4468 2.4468 2.4714 2.4714 2.7914 2.7914 3.2024 3.2024 3.9012 3.9012 3.9210 3.9210 4.9947 4.9947 5.0915 5.0915 5.1907 5.1907 5.5507 5.5507 5.9929 5.9929 7.3873 7.3873 8.5115 8.5115 8.8793 8.8793 8.8871 8.8871 8.9993 8.9993 k = 0.0000 0.2308-0.0000 ( 8173 PWs) bands (ev): -4.5520 -4.5520 -4.3712 -4.3712 0.8561 0.8561 0.8881 0.8881 1.0656 1.0656 1.1137 1.1137 1.1392 1.1392 1.1644 1.1644 1.1859 1.1859 1.2350 1.2350 1.4187 1.4187 1.4653 1.4653 1.4825 1.4825 1.5414 1.5414 1.5595 1.5595 1.8429 1.8429 1.9407 1.9407 1.9518 1.9518 2.0020 2.0020 2.0076 2.0076 2.0369 2.0369 2.0847 2.0847 2.1482 2.1482 2.1661 2.1661 2.1834 2.1834 2.2349 2.2349 2.2716 2.2716 2.3052 2.3052 2.3791 2.3791 2.3942 2.3942 2.4503 2.4503 2.4788 2.4788 2.7859 2.7859 3.1437 3.1437 3.9216 3.9216 3.9400 3.9400 5.0055 5.0055 5.0855 5.0855 5.1592 5.1592 5.5860 5.5860 6.1279 6.1279 7.2669 7.2669 8.4022 8.4022 8.8361 8.8361 8.8436 8.8436 9.0647 9.0647 k = 0.0000 0.2500-0.0000 ( 8165 PWs) bands (ev): -4.5452 -4.5452 -4.3743 -4.3743 0.8501 0.8501 0.8856 0.8856 1.0893 1.0893 1.1177 1.1177 1.1449 1.1449 1.1747 1.1747 1.1885 1.1885 1.2438 1.2438 1.4216 1.4216 1.4657 1.4657 1.4819 1.4819 1.5435 1.5435 1.5458 1.5458 1.8206 1.8206 1.9319 1.9319 1.9455 1.9455 1.9936 1.9936 2.0047 2.0047 2.0369 2.0369 2.0841 2.0841 2.1442 2.1442 2.1659 2.1659 2.1839 2.1839 2.2325 2.2325 2.2686 2.2686 2.3007 2.3007 2.3818 2.3818 2.3911 2.3911 2.4546 2.4546 2.4866 2.4866 2.7797 2.7797 3.0884 3.0884 3.9433 3.9433 3.9604 3.9604 4.9993 4.9993 5.0996 5.0996 5.1259 5.1259 5.6239 5.6239 6.2598 6.2598 7.1501 7.1501 8.3008 8.3008 8.7951 8.7951 8.8049 8.8049 9.1345 9.1345 k = 0.0000 0.2692-0.0000 ( 8185 PWs) bands (ev): -4.5382 -4.5382 -4.3778 -4.3778 0.8443 0.8443 0.8828 0.8828 1.1092 1.1092 1.1255 1.1255 1.1502 1.1502 1.1852 1.1852 1.1923 1.1923 1.2526 1.2526 1.4249 1.4249 1.4661 1.4661 1.4812 1.4812 1.5317 1.5317 1.5455 1.5455 1.7998 1.7998 1.9232 1.9232 1.9389 1.9389 1.9861 1.9861 2.0017 2.0017 2.0366 2.0366 2.0832 2.0832 2.1397 2.1397 2.1656 2.1656 2.1837 2.1837 2.2286 2.2286 2.2655 2.2655 2.2960 2.2960 2.3837 2.3837 2.3881 2.3881 2.4595 2.4595 2.4943 2.4943 2.7729 2.7729 3.0367 3.0367 3.9661 3.9661 3.9821 3.9821 4.9798 4.9798 5.0912 5.0912 5.1304 5.1304 5.6644 5.6644 6.3847 6.3847 7.0378 7.0378 8.2103 8.2103 8.7583 8.7583 8.7710 8.7710 9.2051 9.2051 k = 0.0000 0.2885-0.0000 ( 8193 PWs) bands (ev): -4.5308 -4.5308 -4.3816 -4.3816 0.8390 0.8390 0.8797 0.8797 1.1180 1.1180 1.1434 1.1434 1.1551 1.1551 1.1959 1.1959 1.1983 1.1983 1.2614 1.2614 1.4287 1.4287 1.4665 1.4665 1.4805 1.4805 1.5176 1.5176 1.5476 1.5476 1.7807 1.7807 1.9151 1.9151 1.9319 1.9319 1.9793 1.9793 1.9987 1.9987 2.0359 2.0359 2.0821 2.0821 2.1347 2.1347 2.1653 2.1653 2.1828 2.1828 2.2228 2.2228 2.2627 2.2627 2.2914 2.2914 2.3847 2.3847 2.3850 2.3850 2.4651 2.4651 2.5017 2.5017 2.7657 2.7657 2.9890 2.9890 3.9899 3.9899 4.0048 4.0048 4.9545 4.9545 5.0553 5.0553 5.1707 5.1707 5.7075 5.7075 6.4968 6.4968 6.9315 6.9315 8.1351 8.1351 8.7261 8.7261 8.7417 8.7417 9.2427 9.2427 k = 0.0000 0.3077-0.0000 ( 8169 PWs) bands (ev): -4.5233 -4.5233 -4.3857 -4.3857 0.8343 0.8343 0.8763 0.8763 1.1223 1.1223 1.1595 1.1595 1.1624 1.1624 1.2067 1.2067 1.2087 1.2087 1.2695 1.2695 1.4328 1.4328 1.4669 1.4669 1.4795 1.4795 1.5043 1.5043 1.5497 1.5497 1.7635 1.7635 1.9082 1.9082 1.9249 1.9249 1.9729 1.9729 1.9956 1.9956 2.0348 2.0348 2.0810 2.0810 2.1294 2.1294 2.1650 2.1650 2.1815 2.1815 2.2148 2.2148 2.2601 2.2601 2.2870 2.2870 2.3822 2.3822 2.3852 2.3852 2.4713 2.4713 2.5087 2.5087 2.7584 2.7584 2.9454 2.9454 4.0144 4.0144 4.0285 4.0285 4.9267 4.9267 5.0186 5.0186 5.2173 5.2173 5.7534 5.7534 6.5847 6.5847 6.8367 6.8367 8.0809 8.0809 8.6986 8.6986 8.7170 8.7170 9.1960 9.1960 k = 0.0000 0.3269-0.0000 ( 8161 PWs) bands (ev): -4.5155 -4.5155 -4.3901 -4.3901 0.8302 0.8302 0.8726 0.8726 1.1259 1.1259 1.1632 1.1632 1.1761 1.1761 1.2174 1.2174 1.2249 1.2249 1.2765 1.2765 1.4371 1.4371 1.4672 1.4672 1.4778 1.4778 1.4927 1.4927 1.5521 1.5521 1.7481 1.7481 1.9028 1.9028 1.9178 1.9178 1.9667 1.9667 1.9924 1.9924 2.0332 2.0332 2.0799 2.0799 2.1237 2.1237 2.1647 2.1647 2.1797 2.1797 2.2046 2.2046 2.2580 2.2580 2.2830 2.2830 2.3794 2.3794 2.3851 2.3851 2.4780 2.4780 2.5150 2.5150 2.7513 2.7513 2.9060 2.9060 4.0393 4.0393 4.0528 4.0528 4.8978 4.8978 4.9815 4.9815 5.2689 5.2689 5.8022 5.8022 6.6173 6.6173 6.7775 6.7775 8.0545 8.0545 8.6757 8.6757 8.6966 8.6966 9.1516 9.1516 k = 0.0000 0.3462-0.0000 ( 8169 PWs) bands (ev): -4.5076 -4.5076 -4.3949 -4.3949 0.8270 0.8270 0.8685 0.8685 1.1294 1.1294 1.1663 1.1663 1.1851 1.1851 1.2277 1.2277 1.2451 1.2451 1.2821 1.2821 1.4416 1.4416 1.4675 1.4675 1.4743 1.4743 1.4849 1.4849 1.5549 1.5549 1.7342 1.7342 1.8993 1.8993 1.9109 1.9109 1.9604 1.9604 1.9891 1.9891 2.0310 2.0310 2.0791 2.0791 2.1178 2.1178 2.1645 2.1645 2.1769 2.1769 2.1925 2.1925 2.2562 2.2562 2.2793 2.2793 2.3770 2.3770 2.3845 2.3845 2.4848 2.4848 2.5205 2.5205 2.7445 2.7445 2.8710 2.8710 4.0646 4.0646 4.0774 4.0774 4.8687 4.8687 4.9445 4.9445 5.3249 5.3249 5.8541 5.8541 6.5656 6.5656 6.7767 6.7767 8.0620 8.0620 8.6573 8.6573 8.6801 8.6801 9.1101 9.1101 k = 0.0000 0.3654-0.0000 ( 8157 PWs) bands (ev): -4.4996 -4.4996 -4.4001 -4.4001 0.8245 0.8245 0.8642 0.8642 1.1330 1.1330 1.1685 1.1685 1.1918 1.1918 1.2372 1.2372 1.2661 1.2661 1.2861 1.2861 1.4464 1.4464 1.4679 1.4679 1.4687 1.4687 1.4815 1.4815 1.5584 1.5584 1.7217 1.7217 1.8980 1.8980 1.9045 1.9045 1.9539 1.9539 1.9857 1.9857 2.0285 2.0285 2.0788 2.0788 2.1116 2.1116 2.1643 2.1643 2.1701 2.1701 2.1822 2.1822 2.2550 2.2550 2.2759 2.2759 2.3750 2.3750 2.3837 2.3837 2.4919 2.4919 2.5251 2.5251 2.7383 2.7383 2.8403 2.8403 4.0896 4.0896 4.1019 4.1019 4.8402 4.8402 4.9080 4.9080 5.3848 5.3848 5.9090 5.9090 6.4809 6.4809 6.7798 6.7798 8.1061 8.1061 8.6430 8.6430 8.6672 8.6672 9.0721 9.0721 k = 0.0000 0.3846-0.0000 ( 8153 PWs) bands (ev): -4.4916 -4.4916 -4.4055 -4.4055 0.8230 0.8230 0.8597 0.8597 1.1367 1.1367 1.1700 1.1700 1.1976 1.1976 1.2450 1.2450 1.2853 1.2853 1.2889 1.2889 1.4514 1.4514 1.4641 1.4641 1.4683 1.4683 1.4801 1.4801 1.5632 1.5632 1.7099 1.7099 1.8989 1.8989 1.8989 1.8989 1.9470 1.9470 1.9821 1.9821 2.0260 2.0260 2.0790 2.0790 2.1049 2.1049 2.1559 2.1559 2.1643 2.1643 2.1778 2.1778 2.2543 2.2543 2.2729 2.2729 2.3735 2.3735 2.3825 2.3825 2.4987 2.4987 2.5287 2.5287 2.7330 2.7330 2.8139 2.8139 4.1141 4.1141 4.1258 4.1258 4.8129 4.8129 4.8727 4.8727 5.4481 5.4481 5.9672 5.9672 6.3910 6.3910 6.7613 6.7613 8.1839 8.1839 8.6327 8.6327 8.6575 8.6575 9.0382 9.0382 k = 0.0000 0.4038-0.0000 ( 8161 PWs) bands (ev): -4.4835 -4.4835 -4.4113 -4.4113 0.8224 0.8224 0.8550 0.8550 1.1407 1.1407 1.1705 1.1705 1.2031 1.2031 1.2499 1.2499 1.2918 1.2918 1.3012 1.3012 1.4565 1.4565 1.4616 1.4616 1.4687 1.4687 1.4791 1.4791 1.5695 1.5695 1.6984 1.6984 1.8944 1.8944 1.9020 1.9020 1.9397 1.9397 1.9781 1.9781 2.0239 2.0239 2.0798 2.0798 2.0974 2.0974 2.1394 2.1394 2.1644 2.1644 2.1753 2.1753 2.2541 2.2541 2.2701 2.2701 2.3724 2.3724 2.3811 2.3811 2.5053 2.5053 2.5312 2.5312 2.7288 2.7288 2.7915 2.7915 4.1374 4.1374 4.1484 4.1484 4.7880 4.7880 4.8393 4.8393 5.5144 5.5144 6.0287 6.0287 6.3014 6.3014 6.7217 6.7217 8.2889 8.2889 8.6259 8.6259 8.6503 8.6503 9.0091 9.0091 k = 0.0000 0.4231-0.0000 ( 8145 PWs) bands (ev): -4.4755 -4.4755 -4.4174 -4.4174 0.8228 0.8228 0.8502 0.8502 1.1448 1.1448 1.1703 1.1703 1.2085 1.2085 1.2511 1.2511 1.2962 1.2962 1.3129 1.3129 1.4611 1.4611 1.4615 1.4615 1.4690 1.4690 1.4784 1.4784 1.5781 1.5781 1.6868 1.6868 1.8915 1.8915 1.9071 1.9071 1.9324 1.9324 1.9737 1.9737 2.0228 2.0228 2.0811 2.0811 2.0881 2.0881 2.1240 2.1240 2.1647 2.1647 2.1733 2.1733 2.2544 2.2544 2.2676 2.2676 2.3718 2.3718 2.3796 2.3796 2.5114 2.5114 2.5329 2.5329 2.7258 2.7258 2.7729 2.7729 4.1588 4.1588 4.1687 4.1687 4.7662 4.7662 4.8086 4.8086 5.5834 5.5834 6.0934 6.0934 6.2133 6.2133 6.6665 6.6665 8.4130 8.4130 8.6223 8.6223 8.6453 8.6453 8.9857 8.9857 k = 0.0000 0.4423-0.0000 ( 8153 PWs) bands (ev): -4.4676 -4.4676 -4.4238 -4.4238 0.8240 0.8240 0.8454 0.8454 1.1489 1.1489 1.1691 1.1691 1.2141 1.2141 1.2486 1.2486 1.3021 1.3021 1.3202 1.3202 1.4620 1.4620 1.4659 1.4659 1.4693 1.4693 1.4776 1.4776 1.5890 1.5890 1.6744 1.6744 1.8905 1.8905 1.9124 1.9124 1.9266 1.9266 1.9687 1.9687 2.0232 2.0232 2.0762 2.0762 2.0830 2.0830 2.1117 2.1117 2.1651 2.1651 2.1716 2.1716 2.2550 2.2550 2.2651 2.2651 2.3717 2.3717 2.3780 2.3780 2.5170 2.5170 2.5334 2.5334 2.7243 2.7243 2.7578 2.7578 4.1775 4.1775 4.1858 4.1858 4.7489 4.7489 4.7816 4.7816 5.6548 5.6548 6.1273 6.1273 6.1612 6.1612 6.6010 6.6010 8.5479 8.5479 8.6213 8.6213 8.6427 8.6427 8.9690 8.9690 k = 0.0000 0.4615-0.0000 ( 8153 PWs) bands (ev): -4.4598 -4.4598 -4.4305 -4.4305 0.8261 0.8261 0.8408 0.8408 1.1532 1.1532 1.1671 1.1671 1.2198 1.2198 1.2439 1.2439 1.3087 1.3087 1.3233 1.3233 1.4637 1.4637 1.4687 1.4687 1.4700 1.4700 1.4768 1.4768 1.6020 1.6020 1.6612 1.6612 1.8915 1.8915 1.9114 1.9114 1.9288 1.9288 1.9626 1.9626 2.0255 2.0255 2.0625 2.0625 2.0854 2.0854 2.1030 2.1030 2.1657 2.1657 2.1700 2.1700 2.2560 2.2560 2.2629 2.2629 2.3720 2.3720 2.3765 2.3765 2.5218 2.5218 2.5330 2.5330 2.7245 2.7245 2.7459 2.7459 4.1925 4.1925 4.1985 4.1985 4.7371 4.7371 4.7595 4.7595 5.7284 5.7284 6.0434 6.0434 6.2319 6.2319 6.5295 6.5295 8.6224 8.6224 8.6315 8.6315 8.6977 8.6977 8.9604 8.9604 k = 0.0000 0.4808-0.0000 ( 8149 PWs) bands (ev): -4.4522 -4.4522 -4.4375 -4.4375 0.8290 0.8290 0.8364 0.8364 1.1573 1.1573 1.1644 1.1644 1.2258 1.2258 1.2381 1.2381 1.3149 1.3149 1.3230 1.3230 1.4655 1.4655 1.4683 1.4683 1.4724 1.4724 1.4757 1.4757 1.6166 1.6166 1.6468 1.6468 1.8945 1.8945 1.9053 1.9053 1.9373 1.9373 1.9552 1.9552 2.0304 2.0304 2.0493 2.0493 2.0884 2.0884 2.0969 2.0969 2.1665 2.1665 2.1687 2.1687 2.2573 2.2573 2.2608 2.2608 2.3728 2.3728 2.3751 2.3751 2.5260 2.5260 2.5316 2.5316 2.7265 2.7265 2.7369 2.7369 4.2027 4.2027 4.2059 4.2059 4.7319 4.7319 4.7433 4.7433 5.8042 5.8042 5.9616 5.9616 6.3049 6.3049 6.4550 6.4550 8.6248 8.6248 8.6309 8.6309 8.8332 8.8332 8.9554 8.9554 k = 0.0000 0.5000-0.0000 ( 8136 PWs) bands (ev): -4.4447 -4.4447 -4.4447 -4.4447 0.8324 0.8324 0.8324 0.8324 1.1611 1.1611 1.1611 1.1611 1.2319 1.2319 1.2319 1.2319 1.3200 1.3200 1.3200 1.3200 1.4672 1.4672 1.4672 1.4672 1.4744 1.4744 1.4744 1.4744 1.6318 1.6318 1.6318 1.6318 1.8993 1.8993 1.8993 1.8993 1.9466 1.9466 1.9466 1.9466 2.0383 2.0383 2.0383 2.0383 2.0922 2.0922 2.0922 2.0922 2.1676 2.1676 2.1676 2.1676 2.2590 2.2590 2.2590 2.2590 2.3738 2.3738 2.3738 2.3738 2.5292 2.5292 2.5292 2.5292 2.7306 2.7306 2.7306 2.7306 4.2074 4.2074 4.2074 4.2074 4.7340 4.7340 4.7340 4.7340 5.8819 5.8819 5.8819 5.8819 6.3796 6.3796 6.3796 6.3796 8.6279 8.6279 8.6279 8.6279 8.9278 8.9278 8.9278 8.9278 k = 0.0000 0.5000-0.0000 ( 8136 PWs) bands (ev): -4.4447 -4.4447 -4.4447 -4.4447 0.8324 0.8324 0.8324 0.8324 1.1611 1.1611 1.1611 1.1611 1.2319 1.2319 1.2319 1.2319 1.3200 1.3200 1.3200 1.3200 1.4672 1.4672 1.4672 1.4672 1.4744 1.4744 1.4744 1.4744 1.6318 1.6318 1.6318 1.6318 1.8993 1.8993 1.8993 1.8993 1.9466 1.9466 1.9466 1.9466 2.0383 2.0383 2.0383 2.0383 2.0922 2.0922 2.0922 2.0922 2.1676 2.1676 2.1676 2.1676 2.2590 2.2590 2.2590 2.2590 2.3738 2.3738 2.3738 2.3738 2.5292 2.5292 2.5292 2.5292 2.7306 2.7306 2.7306 2.7306 4.2074 4.2074 4.2074 4.2074 4.7340 4.7340 4.7340 4.7340 5.8819 5.8819 5.8819 5.8819 6.3796 6.3796 6.3796 6.3796 8.6279 8.6279 8.6279 8.6279 8.9278 8.9278 8.9278 8.9278 k = 0.0192 0.5000-0.0000 ( 8156 PWs) bands (ev): -4.4446 -4.4446 -4.4446 -4.4446 0.8324 0.8324 0.8337 0.8337 1.1609 1.1609 1.1617 1.1617 1.2320 1.2320 1.2323 1.2323 1.3191 1.3191 1.3210 1.3210 1.4650 1.4650 1.4674 1.4674 1.4745 1.4745 1.4756 1.4756 1.6286 1.6286 1.6351 1.6351 1.8945 1.8945 1.9039 1.9039 1.9383 1.9383 1.9548 1.9548 2.0348 2.0348 2.0419 2.0419 2.0892 2.0892 2.0949 2.0949 2.1661 2.1661 2.1686 2.1686 2.2549 2.2549 2.2628 2.2628 2.3719 2.3719 2.3748 2.3748 2.5274 2.5274 2.5299 2.5299 2.7287 2.7287 2.7315 2.7315 4.2031 4.2031 4.2090 4.2090 4.7305 4.7305 4.7336 4.7336 5.8876 5.8876 5.8913 5.8913 6.3742 6.3742 6.3775 6.3775 8.6052 8.6052 8.6271 8.6271 8.8739 8.8739 8.9500 8.9500 k = 0.0385 0.5000-0.0000 ( 8148 PWs) bands (ev): -4.4443 -4.4443 -4.4443 -4.4443 0.8324 0.8324 0.8375 0.8375 1.1612 1.1612 1.1631 1.1631 1.2324 1.2324 1.2332 1.2332 1.3185 1.3185 1.3224 1.3224 1.4616 1.4616 1.4663 1.4663 1.4750 1.4750 1.4782 1.4782 1.6254 1.6254 1.6383 1.6383 1.8895 1.8895 1.9084 1.9084 1.9300 1.9300 1.9628 1.9628 2.0313 2.0313 2.0456 2.0456 2.0860 2.0860 2.0973 2.0973 2.1643 2.1643 2.1693 2.1693 2.2504 2.2504 2.2664 2.2664 2.3693 2.3693 2.3751 2.3751 2.5244 2.5244 2.5296 2.5296 2.7259 2.7259 2.7317 2.7317 4.1913 4.1913 4.2135 4.2135 4.7204 4.7204 4.7326 4.7326 5.9049 5.9049 5.9178 5.9178 6.3603 6.3603 6.3698 6.3698 8.5595 8.5595 8.6145 8.6145 8.8127 8.8127 8.9351 8.9351 k = 0.0577 0.5000-0.0000 ( 8132 PWs) bands (ev): -4.4438 -4.4438 -4.4437 -4.4437 0.8324 0.8324 0.8438 0.8438 1.1618 1.1618 1.1654 1.1654 1.2332 1.2332 1.2345 1.2345 1.3182 1.3182 1.3242 1.3242 1.4577 1.4577 1.4645 1.4645 1.4756 1.4756 1.4811 1.4811 1.6223 1.6223 1.6416 1.6416 1.8844 1.8844 1.9127 1.9127 1.9221 1.9221 1.9703 1.9703 2.0279 2.0279 2.0493 2.0493 2.0826 2.0826 2.0993 2.0993 2.1623 2.1623 2.1699 2.1699 2.2458 2.2458 2.2698 2.2698 2.3660 2.3660 2.3746 2.3746 2.5199 2.5199 2.5286 2.5286 2.7223 2.7223 2.7308 2.7308 4.1730 4.1730 4.2209 4.2209 4.7047 4.7047 4.7308 4.7308 5.9305 5.9305 5.9601 5.9601 6.3383 6.3383 6.3591 6.3591 8.5047 8.5047 8.5936 8.5936 8.7544 8.7544 8.9060 8.9060 k = 0.0769 0.5000-0.0000 ( 8140 PWs) bands (ev): -4.4430 -4.4430 -4.4430 -4.4430 0.8324 0.8324 0.8527 0.8527 1.1627 1.1627 1.1684 1.1684 1.2343 1.2343 1.2362 1.2362 1.3179 1.3179 1.3262 1.3262 1.4535 1.4535 1.4622 1.4622 1.4760 1.4760 1.4840 1.4840 1.6193 1.6193 1.6449 1.6449 1.8790 1.8790 1.9145 1.9145 1.9169 1.9169 1.9772 1.9772 2.0243 2.0243 2.0529 2.0529 2.0790 2.0790 2.1010 2.1010 2.1598 2.1598 2.1702 2.1702 2.2407 2.2407 2.2729 2.2729 2.3620 2.3620 2.3731 2.3731 2.5140 2.5140 2.5270 2.5270 2.7178 2.7178 2.7288 2.7288 4.1499 4.1499 4.2311 4.2311 4.6847 4.6847 4.7285 4.7285 5.9592 5.9592 6.0147 6.0147 6.3104 6.3104 6.3500 6.3500 8.4496 8.4496 8.5655 8.5655 8.7018 8.7018 8.8672 8.8672 k = 0.0962 0.5000-0.0000 ( 8140 PWs) bands (ev): -4.4421 -4.4421 -4.4420 -4.4420 0.8324 0.8324 0.8639 0.8639 1.1639 1.1639 1.1723 1.1723 1.2355 1.2355 1.2383 1.2383 1.3179 1.3179 1.3285 1.3285 1.4489 1.4489 1.4595 1.4595 1.4764 1.4764 1.4869 1.4869 1.6166 1.6166 1.6482 1.6482 1.8736 1.8736 1.9074 1.9074 1.9210 1.9210 1.9833 1.9833 2.0207 2.0207 2.0563 2.0563 2.0752 2.0752 2.1021 2.1021 2.1571 2.1571 2.1705 2.1705 2.2354 2.2354 2.2758 2.2758 2.3572 2.3572 2.3709 2.3709 2.5066 2.5066 2.5250 2.5250 2.7124 2.7124 2.7257 2.7257 4.1240 4.1240 4.2439 4.2439 4.6621 4.6621 4.7255 4.7255 5.9826 5.9826 6.0735 6.0735 6.2834 6.2834 6.3499 6.3499 8.3980 8.3980 8.5315 8.5315 8.6555 8.6555 8.8208 8.8208 k = 0.1154 0.5000-0.0000 ( 8146 PWs) bands (ev): -4.4409 -4.4409 -4.4409 -4.4409 0.8324 0.8324 0.8775 0.8775 1.1654 1.1654 1.1771 1.1771 1.2368 1.2368 1.2408 1.2408 1.3180 1.3180 1.3312 1.3312 1.4441 1.4441 1.4565 1.4565 1.4767 1.4767 1.4898 1.4898 1.6140 1.6140 1.6515 1.6515 1.8682 1.8682 1.9008 1.9008 1.9249 1.9249 1.9886 1.9886 2.0169 2.0169 2.0592 2.0592 2.0715 2.0715 2.1029 2.1029 2.1544 2.1544 2.1707 2.1707 2.2297 2.2297 2.2785 2.2785 2.3517 2.3517 2.3678 2.3678 2.4977 2.4977 2.5227 2.5227 2.7059 2.7059 2.7213 2.7213 4.0974 4.0974 4.2592 4.2592 4.6382 4.6382 4.7219 4.7219 5.9903 5.9903 6.1115 6.1115 6.2812 6.2812 6.3684 6.3684 8.3514 8.3514 8.4928 8.4928 8.6153 8.6153 8.7685 8.7685 k = 0.1346 0.5000-0.0000 ( 8136 PWs) bands (ev): -4.4396 -4.4396 -4.4396 -4.4396 0.8324 0.8324 0.8934 0.8934 1.1673 1.1673 1.1827 1.1827 1.2379 1.2379 1.2437 1.2437 1.3184 1.3184 1.3343 1.3343 1.4392 1.4392 1.4533 1.4533 1.4769 1.4769 1.4927 1.4927 1.6117 1.6117 1.6548 1.6548 1.8630 1.8630 1.8945 1.8945 1.9286 1.9286 1.9929 1.9929 2.0133 2.0133 2.0611 2.0611 2.0680 2.0680 2.1032 2.1032 2.1519 2.1519 2.1709 2.1709 2.2239 2.2239 2.2810 2.2810 2.3453 2.3453 2.3639 2.3639 2.4875 2.4875 2.5202 2.5202 2.6983 2.6983 2.7155 2.7155 4.0720 4.0720 4.2767 4.2767 4.6143 4.6143 4.7179 4.7179 5.9766 5.9766 6.0960 6.0960 6.3353 6.3353 6.4109 6.4109 8.3102 8.3102 8.4506 8.4506 8.5806 8.5806 8.7126 8.7126 k = 0.1538 0.5000-0.0000 ( 8156 PWs) bands (ev): -4.4382 -4.4382 -4.4382 -4.4382 0.8324 0.8324 0.9114 0.9114 1.1695 1.1695 1.1890 1.1890 1.2386 1.2386 1.2469 1.2469 1.3189 1.3189 1.3376 1.3376 1.4341 1.4341 1.4499 1.4499 1.4770 1.4770 1.4955 1.4955 1.6096 1.6096 1.6581 1.6581 1.8581 1.8581 1.8885 1.8885 1.9320 1.9320 1.9956 1.9956 2.0102 2.0102 2.0605 2.0605 2.0658 2.0658 2.1033 2.1033 2.1495 2.1495 2.1711 2.1711 2.2179 2.2179 2.2831 2.2831 2.3381 2.3381 2.3591 2.3591 2.4759 2.4759 2.5176 2.5176 2.6894 2.6894 2.7084 2.7084 4.0493 4.0493 4.2962 4.2962 4.5914 4.5914 4.7133 4.7133 5.9434 5.9434 6.0465 6.0465 6.4257 6.4257 6.4753 6.4753 8.2743 8.2743 8.4058 8.4058 8.5497 8.5497 8.6561 8.6561 k = 0.1731 0.5000-0.0000 ( 8142 PWs) bands (ev): -4.4366 -4.4366 -4.4366 -4.4366 0.8324 0.8324 0.9314 0.9314 1.1721 1.1721 1.1961 1.1961 1.2388 1.2388 1.2506 1.2506 1.3199 1.3199 1.3413 1.3413 1.4291 1.4291 1.4465 1.4465 1.4771 1.4771 1.4983 1.4983 1.6077 1.6077 1.6615 1.6615 1.8538 1.8538 1.8828 1.8828 1.9349 1.9349 1.9955 1.9955 2.0090 2.0090 2.0574 2.0574 2.0649 2.0649 2.1033 2.1033 2.1475 2.1475 2.1713 2.1713 2.2118 2.2118 2.2849 2.2849 2.3302 2.3302 2.3536 2.3536 2.4635 2.4635 2.5150 2.5150 2.6790 2.6790 2.7002 2.7002 4.0308 4.0308 4.3174 4.3174 4.5705 4.5705 4.7083 4.7083 5.8962 5.8962 5.9831 5.9831 6.5315 6.5315 6.5561 6.5561 8.2435 8.2435 8.3597 8.3597 8.5175 8.5175 8.6050 8.6050 k = 0.1923 0.5000-0.0000 ( 8150 PWs) bands (ev): -4.4349 -4.4349 -4.4349 -4.4349 0.8324 0.8324 0.9532 0.9532 1.1752 1.1752 1.2037 1.2037 1.2382 1.2382 1.2545 1.2545 1.3214 1.3214 1.3452 1.3452 1.4241 1.4241 1.4431 1.4431 1.4771 1.4771 1.5010 1.5010 1.6061 1.6061 1.6649 1.6649 1.8500 1.8500 1.8772 1.8772 1.9370 1.9370 1.9926 1.9926 2.0100 2.0100 2.0535 2.0535 2.0634 2.0634 2.1033 2.1033 2.1458 2.1458 2.1715 2.1715 2.2057 2.2057 2.2861 2.2861 2.3215 2.3215 2.3471 2.3471 2.4502 2.4502 2.5125 2.5125 2.6669 2.6669 2.6912 2.6912 4.0175 4.0175 4.3400 4.3400 4.5520 4.5520 4.7030 4.7030 5.8399 5.8399 5.9120 5.9120 6.6431 6.6431 6.6511 6.6511 8.2170 8.2170 8.3132 8.3132 8.4754 8.4754 8.5686 8.5686 k = 0.2115 0.5000-0.0000 ( 8154 PWs) bands (ev): -4.4332 -4.4332 -4.4331 -4.4331 0.8323 0.8323 0.9767 0.9767 1.1787 1.1787 1.2115 1.2115 1.2370 1.2370 1.2588 1.2588 1.3234 1.3234 1.3494 1.3494 1.4193 1.4193 1.4399 1.4399 1.4771 1.4771 1.5038 1.5038 1.6047 1.6047 1.6685 1.6685 1.8467 1.8467 1.8717 1.8717 1.9378 1.9378 1.9888 1.9888 2.0119 2.0119 2.0495 2.0495 2.0608 2.0608 2.1033 2.1033 2.1443 2.1443 2.1717 2.1717 2.1998 2.1998 2.2866 2.2866 2.3121 2.3121 2.3398 2.3398 2.4368 2.4368 2.5099 2.5099 2.6530 2.6530 2.6819 2.6819 4.0102 4.0102 4.3638 4.3638 4.5365 4.5365 4.6974 4.6974 5.7778 5.7778 5.8360 5.8360 6.7463 6.7463 6.7684 6.7684 8.1941 8.1941 8.2678 8.2678 8.4213 8.4213 8.5497 8.5497 k = 0.2308 0.5000-0.0000 ( 8164 PWs) bands (ev): -4.4314 -4.4314 -4.4313 -4.4313 0.8323 0.8323 1.0015 1.0015 1.1826 1.1826 1.2186 1.2186 1.2363 1.2363 1.2634 1.2634 1.3261 1.3261 1.3538 1.3538 1.4147 1.4147 1.4368 1.4368 1.4770 1.4770 1.5064 1.5064 1.6036 1.6036 1.6722 1.6722 1.8439 1.8439 1.8662 1.8662 1.9366 1.9366 1.9854 1.9854 2.0137 2.0137 2.0455 2.0455 2.0573 2.0573 2.1033 2.1033 2.1427 2.1427 2.1719 2.1719 2.1941 2.1941 2.2856 2.2856 2.3022 2.3022 2.3317 2.3317 2.4237 2.4237 2.5071 2.5071 2.6374 2.6374 2.6724 2.6724 4.0092 4.0092 4.3883 4.3883 4.5243 4.5243 4.6915 4.6915 5.7120 5.7120 5.7562 5.7562 6.8525 6.8525 6.8927 6.8927 8.1729 8.1729 8.2251 8.2251 8.3615 8.3615 8.5428 8.5428 k = 0.2500 0.5000-0.0000 ( 8152 PWs) bands (ev): -4.4295 -4.4295 -4.4295 -4.4295 0.8323 0.8323 1.0273 1.0273 1.1871 1.1871 1.2218 1.2218 1.2392 1.2392 1.2683 1.2683 1.3293 1.3293 1.3583 1.3583 1.4103 1.4103 1.4339 1.4339 1.4770 1.4770 1.5091 1.5091 1.6027 1.6027 1.6760 1.6760 1.8414 1.8414 1.8610 1.8610 1.9328 1.9328 1.9835 1.9835 2.0151 2.0151 2.0417 2.0417 2.0531 2.0531 2.1031 2.1031 2.1409 2.1409 2.1721 2.1721 2.1887 2.1887 2.2820 2.2820 2.2922 2.2922 2.3236 2.3236 2.4116 2.4116 2.5042 2.5042 2.6207 2.6207 2.6629 2.6629 4.0150 4.0150 4.4132 4.4132 4.5156 4.5156 4.6856 4.6856 5.6442 5.6442 5.6740 5.6740 6.9628 6.9628 7.0195 7.0195 8.1491 8.1491 8.1899 8.1899 8.3004 8.3004 8.5440 8.5440 k = 0.2692 0.5000-0.0000 ( 8152 PWs) bands (ev): -4.4277 -4.4277 -4.4276 -4.4276 0.8322 0.8322 1.0534 1.0534 1.1921 1.1921 1.2199 1.2199 1.2470 1.2470 1.2734 1.2734 1.3331 1.3331 1.3629 1.3629 1.4062 1.4062 1.4313 1.4313 1.4770 1.4770 1.5116 1.5116 1.6021 1.6021 1.6799 1.6799 1.8390 1.8390 1.8560 1.8560 1.9263 1.9263 1.9832 1.9832 2.0158 2.0158 2.0383 2.0383 2.0486 2.0486 2.1027 2.1027 2.1386 2.1386 2.1722 2.1722 2.1838 2.1838 2.2742 2.2742 2.2816 2.2816 2.3174 2.3174 2.4010 2.4010 2.5008 2.5008 2.6034 2.6034 2.6536 2.6536 4.0274 4.0274 4.4383 4.4383 4.5105 4.5105 4.6796 4.6796 5.5754 5.5754 5.5902 5.5902 7.0759 7.0759 7.1472 7.1472 8.1172 8.1172 8.1675 8.1675 8.2404 8.2404 8.5521 8.5521 k = 0.2885 0.5000-0.0000 ( 8164 PWs) bands (ev): -4.4258 -4.4258 -4.4258 -4.4258 0.8322 0.8322 1.0792 1.0792 1.1975 1.1975 1.2163 1.2163 1.2569 1.2569 1.2789 1.2789 1.3374 1.3374 1.3673 1.3673 1.4026 1.4026 1.4290 1.4290 1.4770 1.4770 1.5141 1.5141 1.6019 1.6019 1.6840 1.6840 1.8364 1.8364 1.8514 1.8514 1.9176 1.9176 1.9840 1.9840 2.0157 2.0157 2.0355 2.0355 2.0442 2.0442 2.1019 2.1019 2.1355 2.1355 2.1720 2.1720 2.1795 2.1795 2.2630 2.2630 2.2692 2.2692 2.3141 2.3141 2.3920 2.3920 2.4966 2.4966 2.5864 2.5864 2.6446 2.6446 4.0463 4.0463 4.4629 4.4629 4.5090 4.5090 4.6736 4.6736 5.5018 5.5018 5.5102 5.5102 7.1908 7.1908 7.2740 7.2740 8.0809 8.0809 8.1529 8.1529 8.1841 8.1841 8.5668 8.5668 k = 0.3077 0.5000-0.0000 ( 8164 PWs) bands (ev): -4.4240 -4.4240 -4.4240 -4.4240 0.8322 0.8322 1.1035 1.1035 1.2022 1.2022 1.2142 1.2142 1.2674 1.2674 1.2848 1.2848 1.3420 1.3420 1.3713 1.3713 1.3998 1.3998 1.4270 1.4270 1.4771 1.4771 1.5165 1.5165 1.6020 1.6020 1.6880 1.6880 1.8332 1.8332 1.8475 1.8475 1.9075 1.9075 1.9849 1.9849 2.0147 2.0147 2.0333 2.0333 2.0403 2.0403 2.1008 2.1008 2.1316 2.1316 2.1715 2.1715 2.1759 2.1759 2.2486 2.2486 2.2561 2.2561 2.3133 2.3133 2.3846 2.3846 2.4912 2.4912 2.5707 2.5707 2.6360 2.6360 4.0714 4.0714 4.4868 4.4868 4.5113 4.5113 4.6679 4.6679 5.4171 5.4171 5.4416 5.4416 7.3061 7.3061 7.3979 7.3979 8.0450 8.0450 8.1215 8.1215 8.1522 8.1522 8.5887 8.5887 k = 0.3269 0.5000-0.0000 ( 8160 PWs) bands (ev): -4.4223 -4.4223 -4.4223 -4.4223 0.8321 0.8321 1.1249 1.1249 1.2027 1.2027 1.2183 1.2183 1.2776 1.2776 1.2914 1.2914 1.3471 1.3471 1.3745 1.3745 1.3982 1.3982 1.4252 1.4252 1.4773 1.4773 1.5188 1.5188 1.6026 1.6026 1.6921 1.6921 1.8292 1.8292 1.8443 1.8443 1.8969 1.8969 1.9846 1.9846 2.0129 2.0129 2.0314 2.0314 2.0376 2.0376 2.0995 2.0995 2.1269 2.1269 2.1697 2.1697 2.1736 2.1736 2.2317 2.2317 2.2439 2.2439 2.3140 2.3140 2.3785 2.3785 2.4841 2.4841 2.5573 2.5573 2.6278 2.6278 4.1025 4.1025 4.5083 4.5083 4.5182 4.5182 4.6624 4.6624 5.3312 5.3312 5.3761 5.3761 7.4205 7.4205 7.5168 7.5168 8.0111 8.0111 8.0716 8.0716 8.1457 8.1457 8.6186 8.6186 k = 0.3462 0.5000-0.0000 ( 8154 PWs) bands (ev): -4.4207 -4.4207 -4.4207 -4.4207 0.8321 0.8321 1.1413 1.1413 1.2012 1.2012 1.2278 1.2278 1.2864 1.2864 1.2996 1.2996 1.3528 1.3528 1.3764 1.3764 1.3982 1.3982 1.4237 1.4237 1.4777 1.4777 1.5211 1.5211 1.6036 1.6036 1.6960 1.6960 1.8246 1.8246 1.8418 1.8418 1.8862 1.8862 1.9820 1.9820 2.0108 2.0108 2.0299 2.0299 2.0364 2.0364 2.0979 2.0979 2.1215 2.1215 2.1661 2.1661 2.1724 2.1724 2.2148 2.2148 2.2325 2.2325 2.3155 2.3155 2.3734 2.3734 2.4752 2.4752 2.5468 2.5468 2.6202 2.6202 4.1392 4.1392 4.5224 4.5224 4.5344 4.5344 4.6573 4.6573 5.2454 5.2454 5.3131 5.3131 7.5321 7.5321 7.6278 7.6278 7.9801 7.9801 8.0241 8.0241 8.1439 8.1439 8.6577 8.6577 k = 0.3654 0.5000-0.0000 ( 8160 PWs) bands (ev): -4.4193 -4.4193 -4.4192 -4.4192 0.8320 0.8320 1.1512 1.1512 1.2014 1.2014 1.2399 1.2399 1.2933 1.2933 1.3091 1.3091 1.3592 1.3592 1.3773 1.3773 1.3998 1.3998 1.4225 1.4225 1.4783 1.4783 1.5233 1.5233 1.6051 1.6051 1.6997 1.6997 1.8195 1.8195 1.8396 1.8396 1.8762 1.8762 1.9757 1.9757 2.0087 2.0087 2.0292 2.0292 2.0367 2.0367 2.0959 2.0959 2.1159 2.1159 2.1607 2.1607 2.1715 2.1715 2.2005 2.2005 2.2218 2.2218 2.3175 2.3175 2.3692 2.3692 2.4648 2.4648 2.5392 2.5392 2.6132 2.6132 4.1810 4.1810 4.5344 4.5344 4.5536 4.5536 4.6527 4.6527 5.1604 5.1604 5.2532 5.2532 7.6387 7.6387 7.7282 7.7282 7.9524 7.9524 7.9810 7.9810 8.1455 8.1455 8.7073 8.7073 k = 0.3846 0.5000-0.0000 ( 8160 PWs) bands (ev): -4.4180 -4.4180 -4.4179 -4.4179 0.8319 0.8319 1.1551 1.1551 1.2039 1.2039 1.2527 1.2527 1.2988 1.2988 1.3187 1.3187 1.3667 1.3667 1.3779 1.3779 1.4022 1.4022 1.4220 1.4220 1.4789 1.4789 1.5255 1.5255 1.6071 1.6071 1.7031 1.7031 1.8142 1.8142 1.8378 1.8378 1.8673 1.8673 1.9657 1.9657 2.0066 2.0066 2.0285 2.0285 2.0386 2.0386 2.0937 2.0937 2.1106 2.1106 2.1529 2.1529 2.1703 2.1703 2.1906 2.1906 2.2120 2.2120 2.3198 2.3198 2.3655 2.3655 2.4538 2.4538 2.5340 2.5340 2.6070 2.6070 4.2276 4.2276 4.5482 4.5482 4.5712 4.5712 4.6488 4.6488 5.0766 5.0766 5.1971 5.1971 7.7370 7.7370 7.8148 7.8148 7.9287 7.9287 7.9434 7.9434 8.1512 8.1512 8.7679 8.7679 k = 0.4038 0.5000-0.0000 ( 8158 PWs) bands (ev): -4.4168 -4.4168 -4.4167 -4.4167 0.8319 0.8319 1.1552 1.1552 1.2077 1.2077 1.2645 1.2645 1.3035 1.3035 1.3269 1.3269 1.3738 1.3738 1.3801 1.3801 1.4046 1.4046 1.4227 1.4227 1.4797 1.4797 1.5276 1.5276 1.6095 1.6095 1.7060 1.7060 1.8090 1.8090 1.8362 1.8362 1.8600 1.8600 1.9523 1.9523 2.0047 2.0047 2.0272 2.0272 2.0422 2.0422 2.0914 2.0914 2.1061 2.1061 2.1430 2.1430 2.1691 2.1691 2.1852 2.1852 2.2033 2.2033 2.3223 2.3223 2.3625 2.3625 2.4432 2.4432 2.5304 2.5304 2.6016 2.6016 4.2785 4.2785 4.5636 4.5636 4.5863 4.5863 4.6458 4.6458 4.9943 4.9943 5.1457 5.1457 7.8214 7.8214 7.8805 7.8805 7.9118 7.9118 7.9159 7.9159 8.1622 8.1622 8.8391 8.8391 k = 0.4231 0.5000-0.0000 ( 8158 PWs) bands (ev): -4.4158 -4.4158 -4.4158 -4.4158 0.8319 0.8319 1.1535 1.1535 1.2116 1.2116 1.2741 1.2741 1.3072 1.3072 1.3332 1.3332 1.3774 1.3774 1.3863 1.3863 1.4063 1.4063 1.4253 1.4253 1.4805 1.4805 1.5298 1.5298 1.6123 1.6123 1.7084 1.7084 1.8045 1.8045 1.8345 1.8345 1.8550 1.8550 1.9364 1.9364 2.0031 2.0031 2.0254 2.0254 2.0468 2.0468 2.0895 2.0895 2.1027 2.1027 2.1326 2.1326 2.1680 2.1680 2.1823 2.1823 2.1959 2.1959 2.3247 2.3247 2.3599 2.3599 2.4337 2.4337 2.5281 2.5281 2.5971 2.5971 4.3332 4.3332 4.5797 4.5797 4.5984 4.5984 4.6438 4.6438 4.9142 4.9142 5.0998 5.0998 7.8641 7.8641 7.8851 7.8851 7.9148 7.9148 7.9489 7.9489 8.1802 8.1802 8.9182 8.9182 k = 0.4423 0.5000-0.0000 ( 8150 PWs) bands (ev): -4.4151 -4.4151 -4.4150 -4.4150 0.8319 0.8319 1.1515 1.1515 1.2150 1.2150 1.2814 1.2814 1.3100 1.3100 1.3376 1.3376 1.3797 1.3797 1.3926 1.3926 1.4072 1.4072 1.4302 1.4302 1.4811 1.4811 1.5318 1.5318 1.6152 1.6152 1.7102 1.7102 1.8012 1.8012 1.8321 1.8321 1.8533 1.8533 1.9191 1.9191 2.0019 2.0019 2.0234 2.0234 2.0518 2.0518 2.0884 2.0884 2.1004 2.1004 2.1227 2.1227 2.1674 2.1674 2.1805 2.1805 2.1902 2.1902 2.3270 2.3270 2.3579 2.3579 2.4257 2.4257 2.5265 2.5265 2.5935 2.5935 4.3910 4.3910 4.5952 4.5952 4.6071 4.6071 4.6427 4.6427 4.8372 4.8372 5.0610 5.0610 7.8517 7.8517 7.8731 7.8731 7.9588 7.9588 7.9874 7.9874 8.2049 8.2049 8.9997 8.9997 k = 0.4615 0.5000-0.0000 ( 8134 PWs) bands (ev): -4.4145 -4.4145 -4.4144 -4.4144 0.8319 0.8319 1.1498 1.1498 1.2175 1.2175 1.2862 1.2862 1.3119 1.3119 1.3404 1.3404 1.3819 1.3819 1.3967 1.3967 1.4073 1.4073 1.4361 1.4361 1.4815 1.4815 1.5335 1.5335 1.6178 1.6178 1.7115 1.7115 1.7994 1.7994 1.8290 1.8290 1.8553 1.8553 1.9020 1.9020 2.0010 2.0010 2.0216 2.0216 2.0563 2.0563 2.0886 2.0886 2.0991 2.0991 2.1138 2.1138 2.1672 2.1672 2.1789 2.1789 2.1863 2.1863 2.3289 2.3289 2.3564 2.3564 2.4198 2.4198 2.5255 2.5255 2.5909 2.5909 4.4508 4.4508 4.6083 4.6083 4.6127 4.6127 4.6415 4.6415 4.7653 4.7653 5.0309 5.0309 7.8376 7.8376 7.8638 7.8638 7.9910 7.9910 8.0140 8.0140 8.2314 8.2314 9.0749 9.0749 k = 0.4808 0.5000-0.0000 ( 8118 PWs) bands (ev): -4.4142 -4.4142 -4.4141 -4.4141 0.8319 0.8319 1.1487 1.1487 1.2191 1.2191 1.2890 1.2890 1.3129 1.3129 1.3419 1.3419 1.3836 1.3836 1.3986 1.3986 1.4073 1.4073 1.4408 1.4408 1.4817 1.4817 1.5347 1.5347 1.6198 1.6198 1.7122 1.7122 1.7989 1.7989 1.8260 1.8260 1.8606 1.8606 1.8870 1.8870 2.0005 2.0005 2.0204 2.0204 2.0595 2.0595 2.0899 2.0899 2.0989 2.0989 2.1063 2.1063 2.1674 2.1674 2.1775 2.1775 2.1844 2.1844 2.3301 2.3301 2.3556 2.3556 2.4162 2.4162 2.5249 2.5249 2.5894 2.5894 4.5085 4.5085 4.6141 4.6141 4.6184 4.6184 4.6355 4.6355 4.7064 4.7064 5.0116 5.0116 7.8285 7.8285 7.8581 7.8581 8.0075 8.0075 8.0301 8.0301 8.2519 8.2519 9.1304 9.1304 k = 0.5000 0.5000-0.0000 ( 8116 PWs) bands (ev): -4.4140 -4.4140 -4.4140 -4.4140 0.8319 0.8319 1.1483 1.1483 1.2197 1.2197 1.2899 1.2899 1.3133 1.3133 1.3424 1.3424 1.3842 1.3842 1.3992 1.3992 1.4072 1.4072 1.4425 1.4425 1.4817 1.4817 1.5351 1.5351 1.6204 1.6204 1.7125 1.7125 1.7989 1.7989 1.8249 1.8249 1.8655 1.8655 1.8787 1.8787 2.0004 2.0004 2.0200 2.0200 2.0606 2.0606 2.0909 2.0909 2.1007 2.1007 2.1014 2.1014 2.1675 2.1675 2.1768 2.1768 2.1839 2.1839 2.3305 2.3305 2.3553 2.3553 2.4150 2.4150 2.5248 2.5248 2.5889 2.5889 4.5423 4.5423 4.6152 4.6152 4.6184 4.6184 4.6257 4.6257 4.6832 4.6832 5.0049 5.0049 7.8255 7.8255 7.8562 7.8562 8.0125 8.0125 8.0356 8.0356 8.2595 8.2595 9.1514 9.1514 k = 0.5000 0.5000-0.0000 ( 8116 PWs) bands (ev): -4.4140 -4.4140 -4.4140 -4.4140 0.8319 0.8319 1.1483 1.1483 1.2197 1.2197 1.2899 1.2899 1.3133 1.3133 1.3424 1.3424 1.3842 1.3842 1.3992 1.3992 1.4072 1.4072 1.4425 1.4425 1.4817 1.4817 1.5351 1.5351 1.6204 1.6204 1.7125 1.7125 1.7989 1.7989 1.8249 1.8249 1.8655 1.8655 1.8787 1.8787 2.0004 2.0004 2.0200 2.0200 2.0606 2.0606 2.0909 2.0909 2.1007 2.1007 2.1014 2.1014 2.1675 2.1675 2.1768 2.1768 2.1839 2.1839 2.3305 2.3305 2.3553 2.3553 2.4150 2.4150 2.5248 2.5248 2.5889 2.5889 4.5423 4.5423 4.6152 4.6152 4.6184 4.6184 4.6257 4.6257 4.6832 4.6832 5.0049 5.0049 7.8255 7.8255 7.8562 7.8562 8.0125 8.0125 8.0356 8.0356 8.2595 8.2595 9.1514 9.1514 k = 0.4865 0.4865-0.0000 ( 8120 PWs) bands (ev): -4.4143 -4.4143 -4.4139 -4.4139 0.8319 0.8319 1.1487 1.1487 1.2191 1.2191 1.2891 1.2891 1.3129 1.3129 1.3419 1.3419 1.3835 1.3835 1.3987 1.3987 1.4073 1.4073 1.4408 1.4408 1.4817 1.4817 1.5347 1.5347 1.6198 1.6198 1.7122 1.7122 1.7989 1.7989 1.8260 1.8260 1.8608 1.8608 1.8868 1.8868 2.0005 2.0005 2.0204 2.0204 2.0595 2.0595 2.0899 2.0899 2.0990 2.0990 2.1063 2.1063 2.1674 2.1674 2.1775 2.1775 2.1844 2.1844 2.3301 2.3301 2.3556 2.3556 2.4162 2.4162 2.5249 2.5249 2.5894 2.5894 4.5079 4.5079 4.6141 4.6141 4.6234 4.6234 4.6330 4.6330 4.7043 4.7043 5.0117 5.0117 7.8285 7.8285 7.8581 7.8581 8.0077 8.0077 8.0302 8.0302 8.2518 8.2518 9.1308 9.1308 k = 0.4730 0.4730-0.0000 ( 8136 PWs) bands (ev): -4.4153 -4.4153 -4.4136 -4.4136 0.8319 0.8319 1.1498 1.1498 1.2176 1.2176 1.2864 1.2864 1.3119 1.3119 1.3403 1.3403 1.3817 1.3817 1.3970 1.3970 1.4073 1.4073 1.4358 1.4358 1.4815 1.4815 1.5334 1.5334 1.6177 1.6177 1.7115 1.7115 1.7988 1.7988 1.8290 1.8290 1.8566 1.8566 1.9012 1.9012 2.0011 2.0011 2.0216 2.0216 2.0565 2.0565 2.0881 2.0881 2.0995 2.0995 2.1137 2.1137 2.1671 2.1671 2.1794 2.1794 2.1859 2.1859 2.3289 2.3289 2.3564 2.3564 2.4198 2.4198 2.5255 2.5255 2.5909 2.5909 4.4463 4.4463 4.6109 4.6109 4.6296 4.6296 4.6387 4.6387 4.7502 4.7502 5.0335 5.0335 7.8369 7.8369 7.8643 7.8643 7.9931 7.9931 8.0151 8.0151 8.2283 8.2283 9.0773 9.0773 k = 0.4595 0.4595-0.0000 ( 8144 PWs) bands (ev): -4.4170 -4.4170 -4.4130 -4.4130 0.8319 0.8319 1.1516 1.1516 1.2151 1.2151 1.2821 1.2821 1.3101 1.3101 1.3375 1.3375 1.3789 1.3789 1.3944 1.3944 1.4070 1.4070 1.4288 1.4288 1.4811 1.4811 1.5314 1.5314 1.6147 1.6147 1.7101 1.7101 1.7990 1.7990 1.8327 1.8327 1.8573 1.8573 1.9174 1.9174 2.0022 2.0022 2.0234 2.0234 2.0526 2.0526 2.0869 2.0869 2.1013 2.1013 2.1226 2.1226 2.1669 2.1669 2.1821 2.1821 2.1884 2.1884 2.3271 2.3271 2.3579 2.3579 2.4255 2.4255 2.5264 2.5264 2.5936 2.5936 4.3804 4.3804 4.6034 4.6034 4.6362 4.6362 4.6457 4.6457 4.7947 4.7947 5.0732 5.0732 7.8488 7.8488 7.8759 7.8759 7.9675 7.9675 7.9925 7.9925 8.1889 8.1889 9.0071 9.0071 k = 0.4459 0.4459-0.0000 ( 8150 PWs) bands (ev): -4.4193 -4.4193 -4.4123 -4.4123 0.8319 0.8319 1.1538 1.1538 1.2119 1.2119 1.2762 1.2762 1.3074 1.3074 1.3331 1.3331 1.3756 1.3756 1.3907 1.3907 1.4050 1.4050 1.4219 1.4219 1.4803 1.4803 1.5289 1.5289 1.6110 1.6110 1.7079 1.7079 1.7994 1.7994 1.8376 1.8376 1.8622 1.8622 1.9337 1.9337 2.0042 2.0042 2.0258 2.0258 2.0488 2.0488 2.0865 2.0865 2.1040 2.1040 2.1326 2.1326 2.1671 2.1671 2.1853 2.1853 2.1922 2.1922 2.3250 2.3250 2.3599 2.3599 2.4332 2.4332 2.5278 2.5278 2.5973 2.5973 4.3152 4.3152 4.5904 4.5904 4.6428 4.6428 4.6590 4.6590 4.8289 4.8289 5.1315 5.1315 7.8612 7.8612 7.8928 7.8928 7.9319 7.9319 7.9658 7.9658 8.1338 8.1338 8.9332 8.9332 k = 0.4324 0.4324-0.0000 ( 8182 PWs) bands (ev): -4.4222 -4.4222 -4.4113 -4.4113 0.8319 0.8319 1.1560 1.1560 1.2083 1.2083 1.2690 1.2690 1.3035 1.3035 1.3269 1.3269 1.3717 1.3717 1.3858 1.3858 1.3992 1.3992 1.4183 1.4183 1.4789 1.4789 1.5259 1.5259 1.6071 1.6071 1.7050 1.7050 1.8002 1.8002 1.8442 1.8442 1.8698 1.8698 1.9483 1.9483 2.0071 2.0071 2.0282 2.0282 2.0464 2.0464 2.0873 2.0873 2.1076 2.1076 2.1434 2.1434 2.1675 2.1675 2.1885 2.1885 2.1972 2.1972 2.3226 2.3226 2.3624 2.3624 2.4423 2.4423 2.5297 2.5297 2.6022 2.6022 4.2521 4.2521 4.5726 4.5726 4.6512 4.6512 4.6771 4.6771 4.8534 4.8534 5.2055 5.2055 7.8666 7.8666 7.8926 7.8926 7.9007 7.9007 7.9512 7.9512 8.0643 8.0643 8.8631 8.8631 k = 0.4189 0.4189-0.0000 ( 8164 PWs) bands (ev): -4.4257 -4.4257 -4.4102 -4.4102 0.8320 0.8320 1.1578 1.1578 1.2050 1.2050 1.2605 1.2605 1.2982 1.2982 1.3191 1.3191 1.3677 1.3677 1.3794 1.3794 1.3912 1.3912 1.4180 1.4180 1.4772 1.4772 1.5228 1.5228 1.6035 1.6035 1.7013 1.7013 1.8020 1.8020 1.8526 1.8526 1.8789 1.8789 1.9601 1.9601 2.0107 2.0107 2.0299 2.0299 2.0471 2.0471 2.0902 2.0902 2.1119 2.1119 2.1548 2.1548 2.1688 2.1688 2.1918 2.1918 2.2032 2.2032 2.3203 2.3203 2.3655 2.3655 2.4526 2.4526 2.5325 2.5325 2.6084 2.6084 4.1919 4.1919 4.5507 4.5507 4.6617 4.6617 4.6993 4.6993 4.8716 4.8716 5.2904 5.2904 7.8268 7.8268 7.8636 7.8636 7.8971 7.8971 7.9659 7.9659 7.9930 7.9930 8.8002 8.8002 k = 0.4054 0.4054-0.0000 ( 8162 PWs) bands (ev): -4.4298 -4.4298 -4.4088 -4.4088 0.8322 0.8322 1.1581 1.1581 1.2023 1.2023 1.2510 1.2510 1.2910 1.2910 1.3100 1.3100 1.3632 1.3632 1.3710 1.3710 1.3840 1.3840 1.4191 1.4191 1.4750 1.4750 1.5198 1.5198 1.6005 1.6005 1.6971 1.6971 1.8047 1.8047 1.8618 1.8618 1.8886 1.8886 1.9684 1.9684 2.0138 2.0138 2.0303 2.0303 2.0511 2.0511 2.0960 2.0960 2.1168 2.1168 2.1642 2.1642 2.1731 2.1731 2.1952 2.1952 2.2099 2.2099 2.3179 2.3179 2.3691 2.3691 2.4634 2.4634 2.5363 2.5363 2.6158 2.6158 4.1352 4.1352 4.5253 4.5253 4.6741 4.6741 4.7253 4.7253 4.8864 4.8864 5.3824 5.3824 7.7707 7.7707 7.8082 7.8082 7.8877 7.8877 7.9148 7.9148 8.0219 8.0219 8.7452 8.7452 k = 0.3919 0.3919-0.0000 ( 8156 PWs) bands (ev): -4.4345 -4.4345 -4.4073 -4.4073 0.8324 0.8324 1.1563 1.1563 1.2008 1.2008 1.2406 1.2406 1.2816 1.2816 1.3003 1.3003 1.3573 1.3573 1.3626 1.3626 1.3785 1.3785 1.4207 1.4207 1.4725 1.4725 1.5169 1.5169 1.5980 1.5980 1.6928 1.6928 1.8084 1.8084 1.8715 1.8715 1.8987 1.8987 1.9738 1.9738 2.0157 2.0157 2.0306 2.0306 2.0559 2.0559 2.1061 2.1061 2.1223 2.1223 2.1679 2.1679 2.1839 2.1839 2.1990 2.1990 2.2169 2.2169 2.3157 2.3157 2.3732 2.3732 2.4743 2.4743 2.5420 2.5420 2.6245 2.6245 4.0822 4.0822 4.4970 4.4970 4.6884 4.6884 4.7549 4.7549 4.8996 4.8996 5.4789 5.4789 7.7103 7.7103 7.7362 7.7362 7.7988 7.7988 7.9343 7.9343 8.0709 8.0709 8.6973 8.6973 k = 0.3784 0.3784-0.0000 ( 8156 PWs) bands (ev): -4.4396 -4.4396 -4.4056 -4.4056 0.8328 0.8328 1.1520 1.1520 1.1999 1.1999 1.2302 1.2302 1.2701 1.2701 1.2904 1.2904 1.3485 1.3485 1.3562 1.3562 1.3744 1.3744 1.4224 1.4224 1.4701 1.4701 1.5143 1.5143 1.5962 1.5962 1.6889 1.6889 1.8129 1.8129 1.8813 1.8813 1.9086 1.9086 1.9776 1.9776 2.0163 2.0163 2.0318 2.0318 2.0593 2.0593 2.1193 2.1193 2.1286 2.1286 2.1703 2.1703 2.1961 2.1961 2.2043 2.2043 2.2243 2.2243 2.3137 2.3137 2.3776 2.3776 2.4842 2.4842 2.5503 2.5503 2.6344 2.6344 4.0330 4.0330 4.4662 4.4662 4.7043 4.7043 4.7878 4.7878 4.9124 4.9124 5.5779 5.5779 7.6403 7.6403 7.6542 7.6542 7.7147 7.7147 7.9571 7.9571 8.1262 8.1262 8.6556 8.6556 k = 0.3649 0.3649-0.0000 ( 8166 PWs) bands (ev): -4.4453 -4.4453 -4.4038 -4.4038 0.8333 0.8333 1.1455 1.1455 1.1972 1.1972 1.2214 1.2214 1.2572 1.2572 1.2804 1.2804 1.3384 1.3384 1.3502 1.3502 1.3722 1.3722 1.4242 1.4242 1.4678 1.4678 1.5119 1.5119 1.5949 1.5949 1.6858 1.6858 1.8180 1.8180 1.8909 1.8909 1.9183 1.9183 1.9806 1.9806 2.0161 2.0161 2.0340 2.0340 2.0614 2.0614 2.1309 2.1309 2.1382 2.1382 2.1735 2.1735 2.2036 2.2036 2.2152 2.2152 2.2317 2.2317 2.3118 2.3118 2.3824 2.3824 2.4923 2.4923 2.5622 2.5622 2.6454 2.6454 3.9878 3.9878 4.4334 4.4334 4.7219 4.7219 4.8236 4.8236 4.9253 4.9253 5.6775 5.6775 7.5424 7.5424 7.5903 7.5903 7.6322 7.6322 7.9828 7.9828 8.1867 8.1867 8.6189 8.6189 k = 0.3514 0.3514-0.0000 ( 8162 PWs) bands (ev): -4.4513 -4.4513 -4.4018 -4.4018 0.8339 0.8339 1.1373 1.1373 1.1893 1.1893 1.2169 1.2169 1.2439 1.2439 1.2702 1.2702 1.3280 1.3280 1.3436 1.3436 1.3723 1.3723 1.4258 1.4258 1.4658 1.4658 1.5097 1.5097 1.5938 1.5938 1.6839 1.6839 1.8234 1.8234 1.9001 1.9001 1.9276 1.9276 1.9836 1.9836 2.0156 2.0156 2.0370 2.0370 2.0625 2.0625 2.1383 2.1383 2.1500 2.1500 2.1794 2.1794 2.2086 2.2086 2.2294 2.2294 2.2391 2.2391 2.3102 2.3102 2.3874 2.3874 2.4982 2.4982 2.5783 2.5783 2.6573 2.6573 3.9465 3.9465 4.3991 4.3991 4.7408 4.7408 4.8614 4.8614 4.9392 4.9392 5.7756 5.7756 7.4413 7.4413 7.5304 7.5304 7.5460 7.5460 8.0112 8.0112 8.2517 8.2517 8.5864 8.5864 k = 0.3378 0.3378-0.0000 ( 8162 PWs) bands (ev): -4.4577 -4.4577 -4.3997 -4.3997 0.8348 0.8348 1.1278 1.1278 1.1766 1.1766 1.2156 1.2156 1.2308 1.2308 1.2600 1.2600 1.3175 1.3175 1.3363 1.3363 1.3746 1.3746 1.4272 1.4272 1.4641 1.4641 1.5077 1.5077 1.5929 1.5929 1.6837 1.6837 1.8290 1.8290 1.9089 1.9089 1.9364 1.9364 1.9870 1.9870 2.0148 2.0148 2.0405 2.0405 2.0631 2.0631 2.1448 2.1448 2.1576 2.1576 2.1890 2.1890 2.2143 2.2143 2.2434 2.2434 2.2470 2.2470 2.3090 2.3090 2.3925 2.3925 2.5020 2.5020 2.5987 2.5987 2.6700 2.6700 3.9093 3.9093 4.3636 4.3636 4.7610 4.7610 4.9000 4.9000 4.9553 4.9553 5.8695 5.8695 7.3452 7.3452 7.4536 7.4536 7.4746 7.4746 8.0424 8.0424 8.3204 8.3204 8.5576 8.5576 k = 0.3243 0.3243-0.0000 ( 8174 PWs) bands (ev): -4.4645 -4.4645 -4.3975 -4.3975 0.8359 0.8359 1.1172 1.1172 1.1616 1.1616 1.2147 1.2147 1.2182 1.2182 1.2497 1.2497 1.3071 1.3071 1.3285 1.3285 1.3790 1.3790 1.4282 1.4282 1.4627 1.4627 1.5059 1.5059 1.5919 1.5919 1.6856 1.6856 1.8347 1.8347 1.9169 1.9169 1.9448 1.9448 1.9909 1.9909 2.0140 2.0140 2.0444 2.0444 2.0633 2.0633 2.1511 2.1511 2.1613 2.1613 2.1990 2.1990 2.2228 2.2228 2.2527 2.2527 2.2589 2.2589 2.3084 2.3084 2.3977 2.3977 2.5041 2.5041 2.6232 2.6232 2.6831 2.6831 3.8760 3.8760 4.3274 4.3274 4.7823 4.7823 4.9354 4.9354 4.9768 4.9768 5.9551 5.9551 7.2598 7.2598 7.3564 7.3564 7.4222 7.4222 8.0763 8.0763 8.3923 8.3923 8.5323 8.5323 k = 0.3108 0.3108-0.0000 ( 8178 PWs) bands (ev): -4.4716 -4.4716 -4.3952 -4.3952 0.8372 0.8372 1.1058 1.1058 1.1453 1.1453 1.2066 1.2066 1.2132 1.2132 1.2394 1.2394 1.2967 1.2967 1.3201 1.3201 1.3855 1.3855 1.4287 1.4287 1.4617 1.4617 1.5044 1.5044 1.5906 1.5906 1.6898 1.6898 1.8405 1.8405 1.9243 1.9243 1.9530 1.9530 1.9954 1.9954 2.0134 2.0134 2.0486 2.0486 2.0634 2.0634 2.1573 2.1573 2.1631 2.1631 2.2059 2.2059 2.2353 2.2353 2.2596 2.2596 2.2717 2.2717 2.3088 2.3088 2.4028 2.4028 2.5049 2.5049 2.6516 2.6516 2.6965 2.6965 3.8467 3.8467 4.2907 4.2907 4.8046 4.8046 4.9621 4.9621 5.0088 5.0088 6.0271 6.0271 7.1913 7.1913 7.2540 7.2540 7.3755 7.3755 8.1131 8.1131 8.4650 8.4650 8.5122 8.5122 k = 0.2973 0.2973-0.0000 ( 8180 PWs) bands (ev): -4.4789 -4.4789 -4.3928 -4.3928 0.8389 0.8389 1.0938 1.0938 1.1285 1.1285 1.1958 1.1958 1.2106 1.2106 1.2292 1.2292 1.2866 1.2866 1.3113 1.3113 1.3934 1.3934 1.4287 1.4287 1.4612 1.4612 1.5030 1.5030 1.5890 1.5890 1.6965 1.6965 1.8463 1.8463 1.9310 1.9310 1.9610 1.9610 2.0004 2.0004 2.0130 2.0130 2.0530 2.0530 2.0633 2.0633 2.1631 2.1631 2.1643 2.1643 2.2103 2.2103 2.2497 2.2497 2.2661 2.2661 2.2822 2.2822 2.3111 2.3111 2.4076 2.4076 2.5047 2.5047 2.6838 2.6838 2.7097 2.7097 3.8212 3.8212 4.2540 4.2540 4.8275 4.8275 4.9819 4.9819 5.0488 5.0488 6.0786 6.0786 7.1390 7.1390 7.1554 7.1554 7.3356 7.3356 8.1527 8.1527 8.4862 8.4862 8.5490 8.5490 k = 0.2838 0.2838-0.0000 ( 8178 PWs) bands (ev): -4.4864 -4.4864 -4.3903 -4.3903 0.8409 0.8409 1.0812 1.0812 1.1115 1.1115 1.1860 1.1860 1.2068 1.2068 1.2194 1.2194 1.2767 1.2767 1.3022 1.3022 1.4021 1.4021 1.4286 1.4286 1.4613 1.4613 1.5020 1.5020 1.5872 1.5872 1.7056 1.7056 1.8524 1.8524 1.9371 1.9371 1.9688 1.9688 2.0056 2.0056 2.0131 2.0131 2.0574 2.0574 2.0631 2.0631 2.1644 2.1644 2.1693 2.1693 2.2135 2.2135 2.2640 2.2640 2.2725 2.2725 2.2891 2.2891 2.3167 2.3167 2.4122 2.4122 2.5035 2.5035 2.7189 2.7189 2.7233 2.7233 3.7994 3.7994 4.2176 4.2176 4.8509 4.8509 4.9995 4.9995 5.0910 5.0910 6.1030 6.1030 7.0330 7.0330 7.1381 7.1381 7.3036 7.3036 8.1951 8.1951 8.4712 8.4712 8.6268 8.6268 k = 0.2703 0.2703-0.0000 ( 8182 PWs) bands (ev): -4.4939 -4.4939 -4.3878 -4.3878 0.8433 0.8433 1.0682 1.0682 1.0944 1.0944 1.1770 1.1770 1.2017 1.2017 1.2104 1.2104 1.2671 1.2671 1.2927 1.2927 1.4100 1.4100 1.4296 1.4296 1.4619 1.4619 1.5015 1.5015 1.5852 1.5852 1.7170 1.7170 1.8586 1.8586 1.9427 1.9427 1.9763 1.9763 2.0099 2.0099 2.0146 2.0146 2.0617 2.0617 2.0630 2.0630 2.1648 2.1648 2.1747 2.1747 2.2161 2.2161 2.2753 2.2753 2.2806 2.2806 2.2927 2.2927 2.3252 2.3252 2.4165 2.4165 2.5015 2.5015 2.7345 2.7345 2.7593 2.7593 3.7811 3.7811 4.1817 4.1817 4.8744 4.8744 5.0169 5.0169 5.1328 5.1328 6.0973 6.0973 6.9180 6.9180 7.1613 7.1613 7.2808 7.2808 8.2403 8.2403 8.4581 8.4581 8.7073 8.7073 k = 0.2568 0.2568-0.0000 ( 8186 PWs) bands (ev): -4.5016 -4.5016 -4.3853 -4.3853 0.8460 0.8460 1.0550 1.0550 1.0776 1.0776 1.1687 1.1687 1.1948 1.1948 1.2026 1.2026 1.2578 1.2578 1.2830 1.2830 1.4142 1.4142 1.4339 1.4339 1.4629 1.4629 1.5016 1.5016 1.5830 1.5830 1.7305 1.7305 1.8652 1.8652 1.9480 1.9480 1.9832 1.9832 2.0122 2.0122 2.0189 2.0189 2.0625 2.0625 2.0662 2.0662 2.1649 2.1649 2.1797 2.1797 2.2185 2.2185 2.2811 2.2811 2.2911 2.2911 2.2961 2.2961 2.3349 2.3349 2.4203 2.4203 2.4987 2.4987 2.7460 2.7460 2.8019 2.8019 3.7661 3.7661 4.1467 4.1467 4.8980 4.8980 5.0345 5.0345 5.1725 5.1725 6.0643 6.0643 6.8000 6.8000 7.2171 7.2171 7.2685 7.2685 8.2882 8.2882 8.4480 8.4480 8.7890 8.7890 k = 0.2432 0.2432-0.0000 ( 8182 PWs) bands (ev): -4.5093 -4.5093 -4.3828 -4.3828 0.8491 0.8491 1.0417 1.0417 1.0612 1.0612 1.1611 1.1611 1.1866 1.1866 1.1959 1.1959 1.2487 1.2487 1.2732 1.2732 1.4145 1.4145 1.4414 1.4414 1.4643 1.4643 1.5029 1.5029 1.5808 1.5808 1.7457 1.7457 1.8722 1.8722 1.9531 1.9531 1.9891 1.9891 2.0142 2.0142 2.0243 2.0243 2.0625 2.0625 2.0703 2.0703 2.1651 2.1651 2.1840 2.1840 2.2208 2.2208 2.2851 2.2851 2.2947 2.2947 2.3059 2.3059 2.3449 2.3449 2.4237 2.4237 2.4951 2.4951 2.7566 2.7566 2.8476 2.8476 3.7544 3.7544 4.1127 4.1127 4.9212 4.9212 5.0526 5.0526 5.2091 5.2091 6.0108 6.0108 6.6799 6.6799 7.2664 7.2664 7.3000 7.3000 8.3389 8.3389 8.4414 8.4414 8.8711 8.8711 k = 0.2297 0.2297-0.0000 ( 8194 PWs) bands (ev): -4.5169 -4.5169 -4.3802 -4.3802 0.8524 0.8524 1.0286 1.0286 1.0452 1.0452 1.1541 1.1541 1.1780 1.1780 1.1896 1.1896 1.2399 1.2399 1.2636 1.2636 1.4131 1.4131 1.4492 1.4492 1.4659 1.4659 1.5058 1.5058 1.5786 1.5786 1.7626 1.7626 1.8797 1.8797 1.9578 1.9578 1.9939 1.9939 2.0169 2.0169 2.0299 2.0299 2.0627 2.0627 2.0741 2.0741 2.1652 2.1652 2.1875 2.1875 2.2233 2.2233 2.2877 2.2877 2.2968 2.2968 2.3166 2.3166 2.3544 2.3544 2.4266 2.4266 2.4909 2.4909 2.7661 2.7661 2.8964 2.8964 3.7456 3.7456 4.0799 4.0799 4.9437 4.9437 5.0712 5.0712 5.2417 5.2417 5.9440 5.9440 6.5582 6.5582 7.2777 7.2777 7.4003 7.4003 8.3914 8.3914 8.4391 8.4391 8.9533 8.9533 k = 0.2162 0.2162-0.0000 ( 8196 PWs) bands (ev): -4.5245 -4.5245 -4.3778 -4.3778 0.8560 0.8560 1.0157 1.0157 1.0299 1.0299 1.1475 1.1475 1.1693 1.1693 1.1834 1.1834 1.2314 1.2314 1.2542 1.2542 1.4113 1.4113 1.4555 1.4555 1.4677 1.4677 1.5108 1.5108 1.5765 1.5765 1.7807 1.7807 1.8877 1.8877 1.9624 1.9624 1.9975 1.9975 2.0204 2.0204 2.0353 2.0353 2.0633 2.0633 2.0776 2.0776 2.1654 2.1654 2.1900 2.1900 2.2261 2.2261 2.2890 2.2890 2.2995 2.2995 2.3262 2.3262 2.3635 2.3635 2.4291 2.4291 2.4861 2.4861 2.7746 2.7746 2.9479 2.9479 3.7395 3.7395 4.0485 4.0485 4.9652 4.9652 5.0901 5.0901 5.2696 5.2696 5.8696 5.8696 6.4357 6.4357 7.3015 7.3015 7.5140 7.5140 8.4312 8.4312 8.4561 8.4561 9.0348 9.0348 k = 0.2027 0.2027-0.0000 ( 8192 PWs) bands (ev): -4.5318 -4.5318 -4.3753 -4.3753 0.8599 0.8599 1.0031 1.0031 1.0152 1.0152 1.1414 1.1414 1.1610 1.1610 1.1770 1.1770 1.2234 1.2234 1.2453 1.2453 1.4095 1.4095 1.4597 1.4597 1.4696 1.4696 1.5177 1.5177 1.5748 1.5748 1.7999 1.7999 1.8963 1.8963 1.9668 1.9668 2.0004 2.0004 2.0241 2.0241 2.0406 2.0406 2.0646 2.0646 2.0809 2.0809 2.1656 2.1656 2.1915 2.1915 2.2293 2.2293 2.2895 2.2895 2.3024 2.3024 2.3346 2.3346 2.3719 2.3719 2.4312 2.4312 2.4808 2.4808 2.7819 2.7819 3.0019 3.0019 3.7360 3.7360 4.0188 4.0188 4.9854 4.9854 5.1094 5.1094 5.2923 5.2923 5.7920 5.7920 6.3130 6.3130 7.3381 7.3381 7.6363 7.6363 8.4394 8.4394 8.5116 8.5116 9.1153 9.1153 k = 0.1892 0.1892-0.0000 ( 8182 PWs) bands (ev): -4.5390 -4.5390 -4.3729 -4.3729 0.8639 0.8639 0.9909 0.9909 1.0013 1.0013 1.1356 1.1356 1.1530 1.1530 1.1703 1.1703 1.2160 1.2160 1.2370 1.2370 1.4081 1.4081 1.4621 1.4621 1.4714 1.4714 1.5257 1.5257 1.5738 1.5738 1.8198 1.8198 1.9054 1.9054 1.9709 1.9709 2.0028 2.0028 2.0274 2.0274 2.0459 2.0459 2.0666 2.0666 2.0840 2.0840 2.1658 2.1658 2.1919 2.1919 2.2328 2.2328 2.2895 2.2895 2.3052 2.3052 2.3417 2.3417 2.3796 2.3796 2.4327 2.4327 2.4752 2.4752 2.7882 2.7882 3.0585 3.0585 3.7347 3.7347 3.9907 3.9907 5.0040 5.0040 5.1285 5.1285 5.3098 5.3098 5.7141 5.7141 6.1907 6.1907 7.3876 7.3876 7.7640 7.7640 8.4489 8.4489 8.5732 8.5732 9.1940 9.1940 k = 0.1757 0.1757-0.0000 ( 8192 PWs) bands (ev): -4.5460 -4.5460 -4.3706 -4.3706 0.8680 0.8680 0.9793 0.9793 0.9881 0.9881 1.1301 1.1301 1.1453 1.1453 1.1633 1.1633 1.2092 1.2092 1.2292 1.2292 1.4072 1.4072 1.4632 1.4632 1.4732 1.4732 1.5330 1.5330 1.5742 1.5742 1.8404 1.8404 1.9149 1.9149 1.9746 1.9746 2.0051 2.0051 2.0301 2.0301 2.0510 2.0510 2.0692 2.0692 2.0872 2.0872 2.1661 2.1661 2.1914 2.1914 2.2363 2.2363 2.2891 2.2891 2.3080 2.3080 2.3473 2.3473 2.3865 2.3865 2.4339 2.4339 2.4695 2.4695 2.7933 2.7933 3.1172 3.1172 3.7354 3.7354 3.9645 3.9645 5.0206 5.0206 5.1471 5.1471 5.3222 5.3222 5.6383 5.6383 6.0695 6.0695 7.4495 7.4495 7.8940 7.8940 8.4636 8.4636 8.6380 8.6380 9.2705 9.2705 k = 0.1622 0.1622-0.0000 ( 8193 PWs) bands (ev): -4.5526 -4.5526 -4.3684 -4.3684 0.8721 0.8721 0.9683 0.9683 0.9758 0.9758 1.1249 1.1249 1.1380 1.1380 1.1559 1.1559 1.2034 1.2034 1.2222 1.2222 1.4067 1.4067 1.4637 1.4637 1.4749 1.4749 1.5382 1.5382 1.5770 1.5770 1.8613 1.8613 1.9247 1.9247 1.9781 1.9781 2.0075 2.0075 2.0318 2.0318 2.0565 2.0565 2.0721 2.0721 2.0906 2.0906 2.1665 2.1665 2.1900 2.1900 2.2398 2.2398 2.2883 2.2883 2.3105 2.3105 2.3513 2.3513 2.3926 2.3926 2.4346 2.4346 2.4639 2.4639 2.7975 2.7975 3.1780 3.1780 3.7379 3.7379 3.9402 3.9402 5.0349 5.0349 5.1645 5.1645 5.3298 5.3298 5.5669 5.5669 5.9501 5.9501 7.5229 7.5229 8.0228 8.0228 8.4858 8.4858 8.7056 8.7056 9.3441 9.3441 k = 0.1486 0.1486-0.0000 ( 8185 PWs) bands (ev): -4.5589 -4.5589 -4.3663 -4.3663 0.8762 0.8762 0.9579 0.9579 0.9645 0.9645 1.1200 1.1200 1.1312 1.1312 1.1482 1.1482 1.1984 1.1984 1.2158 1.2158 1.4068 1.4068 1.4638 1.4638 1.4765 1.4765 1.5403 1.5403 1.5828 1.5828 1.8823 1.8823 1.9347 1.9347 1.9815 1.9815 2.0100 2.0100 2.0327 2.0327 2.0622 2.0622 2.0748 2.0748 2.0948 2.0948 2.1669 2.1669 2.1878 2.1878 2.2430 2.2430 2.2870 2.2870 2.3131 2.3131 2.3537 2.3537 2.3979 2.3979 2.4350 2.4350 2.4588 2.4588 2.8008 2.8008 3.2405 3.2405 3.7419 3.7419 3.9178 3.9178 5.0463 5.0463 5.1795 5.1795 5.3328 5.3328 5.5021 5.5021 5.8334 5.8334 7.6067 7.6067 8.1451 8.1451 8.5195 8.5195 8.7757 8.7757 9.4139 9.4139 k = 0.1351 0.1351-0.0000 ( 8177 PWs) bands (ev): -4.5648 -4.5648 -4.3644 -4.3644 0.8803 0.8803 0.9483 0.9483 0.9539 0.9539 1.1154 1.1154 1.1249 1.1249 1.1404 1.1404 1.1945 1.1945 1.2101 1.2101 1.4073 1.4073 1.4640 1.4640 1.4780 1.4780 1.5396 1.5396 1.5906 1.5906 1.9031 1.9031 1.9444 1.9444 1.9847 1.9847 2.0126 2.0126 2.0331 2.0331 2.0681 2.0681 2.0774 2.0774 2.0998 2.0998 2.1672 2.1672 2.1850 2.1850 2.2456 2.2456 2.2850 2.2850 2.3155 2.3155 2.3543 2.3543 2.4024 2.4024 2.4351 2.4351 2.4543 2.4543 2.8033 2.8033 3.3045 3.3045 3.7470 3.7470 3.8976 3.8976 5.0541 5.0541 5.1904 5.1904 5.3315 5.3315 5.4468 5.4468 5.7207 5.7207 7.6997 7.6997 8.2526 8.2526 8.5717 8.5717 8.8483 8.8483 9.4789 9.4789 k = 0.1216 0.1216-0.0000 ( 8193 PWs) bands (ev): -4.5702 -4.5702 -4.3625 -4.3625 0.8841 0.8841 0.9394 0.9394 0.9443 0.9443 1.1111 1.1111 1.1191 1.1191 1.1327 1.1327 1.1913 1.1913 1.2049 1.2049 1.4082 1.4082 1.4643 1.4643 1.4794 1.4794 1.5373 1.5373 1.5993 1.5993 1.9234 1.9234 1.9537 1.9537 1.9879 1.9879 2.0151 2.0151 2.0329 2.0329 2.0731 2.0731 2.0808 2.0808 2.1057 2.1057 2.1675 2.1675 2.1816 2.1816 2.2474 2.2474 2.2823 2.2823 2.3179 2.3179 2.3531 2.3531 2.4062 2.4062 2.4352 2.4352 2.4505 2.4505 2.8050 2.8050 3.3694 3.3694 3.7531 3.7531 3.8794 3.8794 5.0571 5.0571 5.1947 5.1947 5.3262 5.3262 5.4039 5.4039 5.6141 5.6141 7.8001 7.8001 8.3362 8.3362 8.6501 8.6501 8.9230 8.9230 9.5366 9.5366 k = 0.1081 0.1081-0.0000 ( 8201 PWs) bands (ev): -4.5752 -4.5752 -4.3609 -4.3609 0.8877 0.8877 0.9314 0.9314 0.9357 0.9357 1.1072 1.1072 1.1137 1.1137 1.1252 1.1252 1.1889 1.1889 1.2003 1.2003 1.4094 1.4094 1.4649 1.4649 1.4806 1.4806 1.5339 1.5339 1.6081 1.6081 1.9427 1.9427 1.9623 1.9623 1.9916 1.9916 2.0176 2.0176 2.0326 2.0326 2.0753 2.0753 2.0872 2.0872 2.1123 2.1123 2.1676 2.1676 2.1778 2.1778 2.2480 2.2480 2.2788 2.2788 2.3203 2.3203 2.3505 2.3505 2.4093 2.4093 2.4353 2.4353 2.4474 2.4474 2.8062 2.8062 3.4346 3.4346 3.7597 3.7597 3.8633 3.8633 5.0537 5.0537 5.1909 5.1909 5.3173 5.3173 5.3732 5.3732 5.5184 5.5184 7.9063 7.9063 8.3951 8.3951 8.7539 8.7539 8.9995 8.9995 9.5704 9.5704 k = 0.0946 0.0946-0.0000 ( 8199 PWs) bands (ev): -4.5797 -4.5797 -4.3594 -4.3594 0.8910 0.8910 0.9242 0.9242 0.9281 0.9281 1.1037 1.1037 1.1090 1.1090 1.1181 1.1181 1.1870 1.1870 1.1963 1.1963 1.4108 1.4108 1.4660 1.4660 1.4817 1.4817 1.5298 1.5298 1.6164 1.6164 1.9601 1.9601 1.9701 1.9701 1.9964 1.9964 2.0200 2.0200 2.0321 2.0321 2.0759 2.0759 2.0958 2.0958 2.1194 2.1194 2.1673 2.1673 2.1741 2.1741 2.2474 2.2474 2.2743 2.2743 2.3227 2.3227 2.3469 2.3469 2.4119 2.4119 2.4355 2.4355 2.4449 2.4449 2.8069 2.8069 3.4994 3.4994 3.7666 3.7666 3.8495 3.8495 5.0426 5.0426 5.1808 5.1808 5.2963 5.2963 5.3528 5.3528 5.4451 5.4451 8.0161 8.0161 8.4373 8.4373 8.8733 8.8733 9.0773 9.0773 9.5576 9.5576 k = 0.0811 0.0811-0.0000 ( 8215 PWs) bands (ev): -4.5836 -4.5836 -4.3581 -4.3581 0.8939 0.8939 0.9179 0.9179 0.9216 0.9216 1.1006 1.1006 1.1048 1.1048 1.1117 1.1117 1.1857 1.1857 1.1927 1.1927 1.4122 1.4122 1.4677 1.4677 1.4826 1.4826 1.5252 1.5252 1.6240 1.6240 1.9737 1.9737 1.9769 1.9769 2.0035 2.0035 2.0222 2.0222 2.0315 2.0315 2.0756 2.0756 2.1057 2.1057 2.1268 2.1268 2.1653 2.1653 2.1717 2.1717 2.2452 2.2452 2.2685 2.2685 2.3249 2.3249 2.3430 2.3430 2.4139 2.4139 2.4359 2.4359 2.4429 2.4429 2.8072 2.8072 3.5626 3.5626 3.7733 3.7733 3.8379 3.8379 5.0242 5.0242 5.1669 5.1669 5.2470 5.2470 5.3472 5.3472 5.4054 5.4054 8.1269 8.1269 8.4700 8.4700 8.9983 8.9983 9.1556 9.1556 9.5377 9.5377 k = 0.0676 0.0676-0.0000 ( 8215 PWs) bands (ev): -4.5870 -4.5870 -4.3569 -4.3569 0.8964 0.8964 0.9125 0.9125 0.9161 0.9161 1.0980 1.0980 1.1012 1.1012 1.1061 1.1061 1.1847 1.1847 1.1898 1.1898 1.4135 1.4135 1.4700 1.4700 1.4834 1.4834 1.5204 1.5204 1.6307 1.6307 1.9818 1.9818 1.9832 1.9832 2.0140 2.0140 2.0241 2.0241 2.0311 2.0311 2.0751 2.0751 2.1165 2.1165 2.1343 2.1343 2.1618 2.1618 2.1710 2.1710 2.2417 2.2417 2.2615 2.2615 2.3269 2.3269 2.3394 2.3394 2.4154 2.4154 2.4363 2.4363 2.4413 2.4413 2.8072 2.8072 3.6226 3.6226 3.7796 3.7796 3.8289 3.8289 5.0014 5.0014 5.1370 5.1370 5.1983 5.1983 5.3503 5.3503 5.3879 5.3879 8.2355 8.2355 8.4971 8.4971 9.1221 9.1221 9.2330 9.2330 9.5219 9.5219 k = 0.0541 0.0541-0.0000 ( 8219 PWs) bands (ev): -4.5898 -4.5898 -4.3560 -4.3560 0.8983 0.8983 0.9081 0.9081 0.9117 0.9117 1.0957 1.0957 1.0981 1.0981 1.1014 1.1014 1.1840 1.1840 1.1874 1.1874 1.4147 1.4147 1.4729 1.4729 1.4840 1.4840 1.5153 1.5153 1.6364 1.6364 1.9866 1.9866 1.9880 1.9880 2.0246 2.0246 2.0262 2.0262 2.0317 2.0317 2.0744 2.0744 2.1274 2.1274 2.1414 2.1414 2.1585 2.1585 2.1711 2.1711 2.2370 2.2370 2.2529 2.2529 2.3287 2.3287 2.3365 2.3365 2.4165 2.4165 2.4369 2.4369 2.4401 2.4401 2.8071 2.8071 3.6770 3.6770 3.7852 3.7852 3.8225 3.8225 4.9783 4.9783 5.0786 5.0786 5.1808 5.1808 5.3559 5.3559 5.3792 5.3792 8.3376 8.3376 8.5197 8.5197 9.2385 9.2385 9.3078 9.3078 9.5125 9.5125 k = 0.0405 0.0405-0.0000 ( 8211 PWs) bands (ev): -4.5920 -4.5920 -4.3553 -4.3553 0.8997 0.8997 0.9046 0.9046 0.9085 0.9085 1.0940 1.0940 1.0956 1.0956 1.0978 1.0978 1.1836 1.1836 1.1855 1.1855 1.4156 1.4156 1.4764 1.4764 1.4845 1.4845 1.5102 1.5102 1.6408 1.6408 1.9901 1.9901 1.9911 1.9911 2.0267 2.0267 2.0286 2.0286 2.0398 2.0398 2.0738 2.0738 2.1361 2.1361 2.1473 2.1473 2.1584 2.1584 2.1714 2.1714 2.2317 2.2317 2.2433 2.2433 2.3302 2.3302 2.3344 2.3344 2.4172 2.4172 2.4373 2.4373 2.4392 2.4392 2.8069 2.8069 3.7223 3.7223 3.7909 3.7909 3.8187 3.8187 4.9577 4.9577 5.0188 5.0188 5.1753 5.1753 5.3614 5.3614 5.3744 5.3744 8.4279 8.4279 8.5380 8.5380 9.3389 9.3389 9.3787 9.3787 9.5114 9.5114 k = 0.0270 0.0270-0.0000 ( 8217 PWs) bands (ev): -4.5936 -4.5936 -4.3547 -4.3547 0.9003 0.9003 0.9022 0.9022 0.9066 0.9066 1.0927 1.0927 1.0936 1.0936 1.0953 1.0953 1.1832 1.1832 1.1841 1.1841 1.4162 1.4162 1.4801 1.4801 1.4849 1.4849 1.5053 1.5053 1.6441 1.6441 1.9925 1.9925 1.9930 1.9930 2.0276 2.0276 2.0286 2.0286 2.0492 2.0492 2.0732 2.0732 2.1381 2.1381 2.1540 2.1540 2.1633 2.1633 2.1721 2.1721 2.2264 2.2264 2.2332 2.2332 2.3313 2.3313 2.3331 2.3331 2.4177 2.4177 2.4377 2.4377 2.4385 2.4385 2.8068 2.8068 3.7527 3.7527 3.7996 3.7996 3.8171 3.8171 4.9419 4.9419 4.9705 4.9705 5.1729 5.1729 5.3659 5.3659 5.3717 5.3717 8.4999 8.4999 8.5517 8.5517 9.4051 9.4051 9.4514 9.4514 9.5199 9.5199 k = 0.0135 0.0135-0.0000 ( 8217 PWs) bands (ev): -4.5945 -4.5945 -4.3544 -4.3544 0.9003 0.9003 0.9007 0.9007 0.9059 0.9059 1.0920 1.0920 1.0922 1.0922 1.0940 1.0940 1.1831 1.1831 1.1833 1.1833 1.4166 1.4166 1.4835 1.4835 1.4851 1.4851 1.5012 1.5012 1.6461 1.6461 1.9940 1.9940 1.9941 1.9941 2.0281 2.0281 2.0284 2.0284 2.0556 2.0556 2.0729 2.0729 2.1368 2.1368 2.1593 2.1593 2.1699 2.1699 2.1729 2.1729 2.2224 2.2224 2.2246 2.2246 2.3320 2.3320 2.3324 2.3324 2.4179 2.4179 2.4379 2.4379 2.4381 2.4381 2.8066 2.8066 3.7658 3.7658 3.8112 3.8112 3.8167 3.8167 4.9320 4.9320 4.9394 4.9394 5.1719 5.1719 5.3688 5.3688 5.3702 5.3702 8.5468 8.5468 8.5602 8.5602 9.4359 9.4359 9.5149 9.5149 9.5348 9.5348 k = 0.0000 0.0000 0.0000 ( 8217 PWs) bands (ev): -4.5949 -4.5949 -4.3543 -4.3543 0.9002 0.9002 0.9002 0.9002 0.9057 0.9057 1.0917 1.0917 1.0917 1.0917 1.0936 1.0936 1.1830 1.1830 1.1830 1.1830 1.4168 1.4168 1.4851 1.4851 1.4851 1.4851 1.4993 1.4993 1.6467 1.6467 1.9944 1.9944 1.9944 1.9944 2.0283 2.0283 2.0283 2.0283 2.0578 2.0578 2.0728 2.0728 2.1360 2.1360 2.1610 2.1610 2.1733 2.1733 2.1733 2.1733 2.2208 2.2208 2.2208 2.2208 2.3322 2.3322 2.3322 2.3322 2.4180 2.4180 2.4380 2.4380 2.4380 2.4380 2.8066 2.8066 3.7688 3.7688 3.8167 3.8167 3.8167 3.8167 4.9286 4.9286 4.9286 4.9286 5.1716 5.1716 5.3697 5.3697 5.3697 5.3697 8.5631 8.5631 8.5631 8.5631 9.4445 9.4445 9.5426 9.5426 9.5426 9.5426 k = 0.0000 0.0000 0.0000 ( 8217 PWs) bands (ev): -4.5949 -4.5949 -4.3543 -4.3543 0.9002 0.9002 0.9002 0.9002 0.9057 0.9057 1.0917 1.0917 1.0917 1.0917 1.0936 1.0936 1.1830 1.1830 1.1830 1.1830 1.4168 1.4168 1.4851 1.4851 1.4851 1.4851 1.4993 1.4993 1.6467 1.6467 1.9944 1.9944 1.9944 1.9944 2.0283 2.0283 2.0283 2.0283 2.0578 2.0578 2.0728 2.0728 2.1360 2.1360 2.1610 2.1610 2.1733 2.1733 2.1733 2.1733 2.2208 2.2208 2.2208 2.2208 2.3322 2.3322 2.3322 2.3322 2.4180 2.4180 2.4380 2.4380 2.4380 2.4380 2.8066 2.8066 3.7688 3.7688 3.8167 3.8167 3.8167 3.8167 4.9286 4.9286 4.9286 4.9286 5.1716 5.1716 5.3697 5.3697 5.3697 5.3697 8.5631 8.5631 8.5631 8.5631 9.4445 9.4445 9.5426 9.5426 9.5426 9.5426 k = 0.0111 0.0111 0.0111 ( 8217 PWs) bands (ev): -4.5945 -4.5945 -4.3544 -4.3544 0.9005 0.9005 0.9005 0.9005 0.9059 0.9059 1.0920 1.0920 1.0922 1.0922 1.0940 1.0940 1.1831 1.1831 1.1833 1.1833 1.4166 1.4166 1.4835 1.4835 1.4851 1.4851 1.5012 1.5012 1.6460 1.6460 1.9939 1.9939 1.9941 1.9941 2.0282 2.0282 2.0284 2.0284 2.0555 2.0555 2.0729 2.0729 2.1367 2.1367 2.1594 2.1594 2.1698 2.1698 2.1728 2.1728 2.2232 2.2232 2.2239 2.2239 2.3319 2.3319 2.3324 2.3324 2.4179 2.4179 2.4380 2.4380 2.4381 2.4381 2.8066 2.8066 3.7659 3.7659 3.8111 3.8111 3.8166 3.8166 4.9354 4.9354 4.9362 4.9362 5.1719 5.1719 5.3691 5.3691 5.3699 5.3699 8.5527 8.5527 8.5539 8.5539 9.4357 9.4357 9.5138 9.5138 9.5360 9.5360 k = 0.0222 0.0222 0.0222 ( 8217 PWs) bands (ev): -4.5936 -4.5936 -4.3547 -4.3547 0.9014 0.9014 0.9015 0.9015 0.9063 0.9063 1.0929 1.0929 1.0934 1.0934 1.0954 1.0954 1.1834 1.1834 1.1840 1.1840 1.4162 1.4162 1.4801 1.4801 1.4848 1.4848 1.5054 1.5054 1.6441 1.6441 1.9925 1.9925 1.9930 1.9930 2.0277 2.0277 2.0285 2.0285 2.0491 2.0491 2.0732 2.0732 2.1378 2.1378 2.1560 2.1560 2.1613 2.1613 2.1718 2.1718 2.2288 2.2288 2.2313 2.2313 2.3312 2.3312 2.3332 2.3332 2.4177 2.4177 2.4378 2.4378 2.4384 2.4384 2.8068 2.8068 3.7550 3.7550 3.7948 3.7948 3.8189 3.8189 4.9549 4.9549 4.9582 4.9582 5.1732 5.1732 5.3673 5.3673 5.3703 5.3703 8.5222 8.5222 8.5269 8.5269 9.3980 9.3980 9.4613 9.4613 9.5204 9.5204 k = 0.0333 0.0333 0.0333 ( 8217 PWs) bands (ev): -4.5920 -4.5920 -4.3553 -4.3553 0.9029 0.9029 0.9030 0.9030 0.9070 0.9070 1.0944 1.0944 1.0953 1.0953 1.0978 1.0978 1.1839 1.1839 1.1851 1.1851 1.4155 1.4155 1.4763 1.4763 1.4843 1.4843 1.5104 1.5104 1.6408 1.6408 1.9899 1.9899 1.9909 1.9909 2.0270 2.0270 2.0285 2.0285 2.0399 2.0399 2.0738 2.0738 2.1355 2.1355 2.1505 2.1505 2.1551 2.1551 2.1708 2.1708 2.2356 2.2356 2.2404 2.2404 2.3299 2.3299 2.3346 2.3346 2.4173 2.4173 2.4374 2.4374 2.4389 2.4389 2.8070 2.8070 3.7340 3.7340 3.7690 3.7690 3.8271 3.8271 4.9848 4.9848 4.9930 4.9930 5.1765 5.1765 5.3646 5.3646 5.3712 5.3712 8.4739 8.4739 8.4833 8.4833 9.3089 9.3089 9.4307 9.4307 9.5039 9.5039 k = 0.0444 0.0444 0.0444 ( 8223 PWs) bands (ev): -4.5897 -4.5897 -4.3560 -4.3560 0.9050 0.9050 0.9052 0.9052 0.9080 0.9080 1.0964 1.0964 1.0977 1.0977 1.1014 1.1014 1.1847 1.1847 1.1868 1.1868 1.4145 1.4145 1.4729 1.4729 1.4836 1.4836 1.5157 1.5157 1.6362 1.6362 1.9864 1.9864 1.9875 1.9875 2.0259 2.0259 2.0264 2.0264 2.0312 2.0312 2.0745 2.0745 2.1290 2.1290 2.1389 2.1389 2.1584 2.1584 2.1699 2.1699 2.2418 2.2418 2.2496 2.2496 2.3282 2.3282 2.3369 2.3369 2.4166 2.4166 2.4369 2.4369 2.4397 2.4397 2.8072 2.8072 3.7038 3.7038 3.7356 3.7356 3.8415 3.8415 5.0200 5.0200 5.0375 5.0375 5.1847 5.1847 5.3622 5.3622 5.3730 5.3730 8.4111 8.4111 8.4254 8.4254 9.1896 9.1896 9.4136 9.4136 9.4921 9.4921 k = 0.0556 0.0556 0.0556 ( 8223 PWs) bands (ev): -4.5869 -4.5869 -4.3569 -4.3569 0.9077 0.9077 0.9078 0.9078 0.9097 0.9097 1.0989 1.0989 1.1006 1.1006 1.1061 1.1061 1.1858 1.1858 1.1889 1.1889 1.4132 1.4132 1.4700 1.4700 1.4827 1.4827 1.5211 1.5211 1.6305 1.6305 1.9818 1.9818 1.9818 1.9818 2.0169 2.0169 2.0245 2.0245 2.0300 2.0300 2.0751 2.0751 2.1211 2.1211 2.1272 2.1272 2.1634 2.1634 2.1690 2.1690 2.2465 2.2465 2.2584 2.2584 2.3260 2.3260 2.3401 2.3401 2.4156 2.4156 2.4363 2.4363 2.4406 2.4406 2.8075 2.8075 3.6670 3.6670 3.6964 3.6964 3.8615 3.8615 5.0520 5.0520 5.0875 5.0875 5.2042 5.2042 5.3623 5.3623 5.3762 5.3762 8.3377 8.3377 8.3563 8.3563 9.0540 9.0540 9.4045 9.4045 9.4874 9.4874 k = 0.0667 0.0667 0.0667 ( 8217 PWs) bands (ev): -4.5835 -4.5835 -4.3581 -4.3581 0.9100 0.9100 0.9113 0.9113 0.9126 0.9126 1.1021 1.1021 1.1040 1.1040 1.1116 1.1116 1.1873 1.1873 1.1915 1.1915 1.4116 1.4116 1.4677 1.4677 1.4816 1.4816 1.5263 1.5263 1.6237 1.6237 1.9726 1.9726 1.9761 1.9761 2.0082 2.0082 2.0227 2.0227 2.0300 2.0300 2.0755 2.0755 2.1135 2.1135 2.1158 2.1158 2.1672 2.1672 2.1694 2.1694 2.2494 2.2494 2.2664 2.2664 2.3234 2.3234 2.3441 2.3441 2.4144 2.4144 2.4354 2.4354 2.4417 2.4417 2.8076 2.8076 3.6254 3.6254 3.6531 3.6531 3.8866 3.8866 5.0712 5.0712 5.1360 5.1360 5.2420 5.2420 5.3699 5.3699 5.3819 5.3819 8.2574 8.2574 8.2792 8.2792 8.9076 8.9076 9.4031 9.4031 9.4905 9.4905 k = 0.0778 0.0778 0.0778 ( 8205 PWs) bands (ev): -4.5795 -4.5795 -4.3594 -4.3594 0.9121 0.9121 0.9153 0.9153 0.9167 0.9167 1.1057 1.1057 1.1080 1.1080 1.1180 1.1180 1.1893 1.1893 1.1946 1.1946 1.4098 1.4098 1.4660 1.4660 1.4803 1.4803 1.5314 1.5314 1.6160 1.6160 1.9595 1.9595 1.9693 1.9693 2.0021 2.0021 2.0204 2.0204 2.0300 2.0300 2.0752 2.0752 2.1051 2.1051 2.1069 2.1069 2.1662 2.1662 2.1745 2.1745 2.2503 2.2503 2.2735 2.2735 2.3203 2.3203 2.3488 2.3488 2.4127 2.4127 2.4342 2.4342 2.4429 2.4429 2.8077 2.8077 3.5808 3.5808 3.6071 3.6071 3.9164 3.9164 5.0755 5.0755 5.1721 5.1721 5.2957 5.2957 5.3928 5.3928 5.3942 5.3942 8.1735 8.1735 8.1973 8.1973 8.7536 8.7536 9.4089 9.4089 9.5007 9.5007 k = 0.0889 0.0889 0.0889 ( 8196 PWs) bands (ev): -4.5749 -4.5749 -4.3608 -4.3608 0.9144 0.9144 0.9200 0.9200 0.9216 0.9216 1.1099 1.1099 1.1126 1.1126 1.1249 1.1249 1.1919 1.1919 1.1981 1.1981 1.4078 1.4078 1.4649 1.4649 1.4787 1.4787 1.5362 1.5362 1.6076 1.6076 1.9439 1.9439 1.9614 1.9614 1.9979 1.9979 2.0177 2.0177 2.0298 2.0298 2.0739 2.0739 2.0953 2.0953 2.1020 2.1020 2.1648 2.1648 2.1796 2.1796 2.2496 2.2496 2.2794 2.2794 2.3169 2.3169 2.3536 2.3536 2.4107 2.4107 2.4327 2.4327 2.4443 2.4443 2.8075 2.8075 3.5343 3.5343 3.5596 3.5596 3.9509 3.9509 5.0693 5.0693 5.1868 5.1868 5.3493 5.3493 5.4197 5.4197 5.4428 5.4428 8.0888 8.0888 8.1134 8.1134 8.5944 8.5944 9.4213 9.4213 9.5173 9.5173 k = 0.1000 0.1000 0.1000 ( 8202 PWs) bands (ev): -4.5699 -4.5699 -4.3624 -4.3624 0.9170 0.9170 0.9254 0.9254 0.9272 0.9272 1.1145 1.1145 1.1177 1.1177 1.1322 1.1322 1.1953 1.1953 1.2021 1.2021 1.4058 1.4058 1.4644 1.4644 1.4767 1.4767 1.5406 1.5406 1.5985 1.5985 1.9270 1.9270 1.9525 1.9525 1.9946 1.9946 2.0145 2.0145 2.0292 2.0292 2.0712 2.0712 2.0865 2.0865 2.0990 2.0990 2.1631 2.1631 2.1843 2.1843 2.2477 2.2477 2.2840 2.2840 2.3133 2.3133 2.3581 2.3581 2.4083 2.4083 2.4309 2.4309 2.4456 2.4456 2.8071 2.8071 3.4868 3.4868 3.5114 3.5114 3.9898 3.9898 5.0559 5.0559 5.1819 5.1819 5.3805 5.3805 5.4805 5.4805 5.5125 5.5125 8.0054 8.0054 8.0297 8.0297 8.4315 8.4315 9.4392 9.4392 9.5395 9.5395 k = 0.1111 0.1111 0.1111 ( 8178 PWs) bands (ev): -4.5644 -4.5644 -4.3641 -4.3641 0.9201 0.9201 0.9315 0.9315 0.9336 0.9336 1.1196 1.1196 1.1233 1.1233 1.1398 1.1398 1.1997 1.1997 1.2067 1.2067 1.4039 1.4039 1.4643 1.4643 1.4745 1.4745 1.5443 1.5443 1.5892 1.5892 1.9097 1.9097 1.9429 1.9429 1.9917 1.9917 2.0108 2.0108 2.0282 2.0282 2.0676 2.0676 2.0789 2.0789 2.0977 2.0977 2.1613 2.1613 2.1887 2.1887 2.2448 2.2448 2.2870 2.2870 2.3098 2.3098 2.3619 2.3619 2.4056 2.4056 2.4287 2.4287 2.4468 2.4468 2.8063 2.8063 3.4390 3.4390 3.4632 3.4632 4.0329 4.0329 5.0366 5.0366 5.1640 5.1640 5.4000 5.4000 5.5623 5.5623 5.5958 5.5958 7.9251 7.9251 7.9480 7.9480 8.2662 8.2662 9.4616 9.4616 9.5664 9.5664 k = 0.1222 0.1222 0.1222 ( 8190 PWs) bands (ev): -4.5584 -4.5584 -4.3659 -4.3659 0.9235 0.9235 0.9381 0.9381 0.9405 0.9405 1.1251 1.1251 1.1294 1.1294 1.1474 1.1474 1.2052 1.2052 1.2116 1.2116 1.4022 1.4022 1.4646 1.4646 1.4719 1.4719 1.5469 1.5469 1.5803 1.5803 1.8922 1.8922 1.9324 1.9324 1.9889 1.9889 2.0065 2.0065 2.0266 2.0266 2.0639 2.0639 2.0723 2.0723 2.0974 2.0974 2.1592 2.1592 2.1925 2.1925 2.2412 2.2412 2.2879 2.2879 2.3066 2.3066 2.3647 2.3647 2.4023 2.4023 2.4262 2.4262 2.4478 2.4478 2.8050 2.8050 3.3917 3.3917 3.4157 3.4157 4.0801 4.0801 5.0121 5.0121 5.1374 5.1374 5.4189 5.4189 5.6528 5.6528 5.6876 5.6876 7.8490 7.8490 7.8696 7.8696 8.0994 8.0994 9.4870 9.4870 9.5969 9.5969 k = 0.1333 0.1333 0.1333 ( 8193 PWs) bands (ev): -4.5520 -4.5520 -4.3678 -4.3678 0.9276 0.9276 0.9454 0.9454 0.9482 0.9482 1.1310 1.1310 1.1360 1.1360 1.1549 1.1549 1.2119 1.2119 1.2171 1.2171 1.4007 1.4007 1.4650 1.4650 1.4690 1.4690 1.5470 1.5470 1.5733 1.5733 1.8751 1.8751 1.9215 1.9215 1.9860 1.9860 2.0017 2.0017 2.0242 2.0242 2.0604 2.0604 2.0666 2.0666 2.0976 2.0976 2.1570 2.1570 2.1958 2.1958 2.2372 2.2372 2.2866 2.2866 2.3044 2.3044 2.3663 2.3663 2.3985 2.3985 2.4235 2.4235 2.4484 2.4484 2.8032 2.8032 3.3451 3.3451 3.3692 3.3692 4.1311 4.1311 4.9828 4.9828 5.1040 5.1040 5.4401 5.4401 5.7481 5.7481 5.7851 5.7851 7.7783 7.7783 7.7957 7.7957 7.9320 7.9320 9.5140 9.5140 9.6293 9.6293 k = 0.1444 0.1444 0.1444 ( 8187 PWs) bands (ev): -4.5453 -4.5453 -4.3697 -4.3697 0.9322 0.9322 0.9535 0.9535 0.9566 0.9566 1.1373 1.1373 1.1430 1.1430 1.1622 1.1622 1.2198 1.2198 1.2230 1.2230 1.3995 1.3995 1.4655 1.4655 1.4657 1.4657 1.5429 1.5429 1.5702 1.5702 1.8585 1.8585 1.9104 1.9104 1.9829 1.9829 1.9963 1.9963 2.0212 2.0212 2.0576 2.0576 2.0620 2.0620 2.0979 2.0979 2.1546 2.1546 2.1986 2.1986 2.2331 2.2331 2.2830 2.2830 2.3032 2.3032 2.3666 2.3666 2.3940 2.3940 2.4208 2.4208 2.4485 2.4485 2.8009 2.8009 3.2997 3.2997 3.3241 3.3241 4.1858 4.1858 4.9487 4.9487 5.0649 5.0649 5.4646 5.4646 5.8468 5.8468 5.8867 5.8867 7.7136 7.7136 7.7267 7.7267 7.7650 7.7650 9.5402 9.5402 9.6607 9.6607 k = 0.1556 0.1556 0.1556 ( 8196 PWs) bands (ev): -4.5383 -4.5383 -4.3717 -4.3717 0.9374 0.9374 0.9621 0.9621 0.9656 0.9656 1.1439 1.1439 1.1504 1.1504 1.1692 1.1692 1.2288 1.2288 1.2293 1.2293 1.3988 1.3988 1.4621 1.4621 1.4659 1.4659 1.5353 1.5353 1.5704 1.5704 1.8425 1.8425 1.8992 1.8992 1.9794 1.9794 1.9905 1.9905 2.0177 2.0177 2.0555 2.0555 2.0580 2.0580 2.0981 2.0981 2.1521 2.1521 2.2009 2.2009 2.2290 2.2290 2.2778 2.2778 2.3021 2.3021 2.3655 2.3655 2.3889 2.3889 2.4180 2.4180 2.4479 2.4479 2.7979 2.7979 3.2556 3.2556 3.2807 3.2807 4.2437 4.2437 4.9100 4.9100 5.0206 5.0206 5.4926 5.4926 5.9479 5.9479 5.9914 5.9914 7.5975 7.5975 7.6555 7.6555 7.6648 7.6648 9.5634 9.5634 9.6860 9.6860 k = 0.1667 0.1667 0.1667 ( 8142 PWs) bands (ev): -4.5310 -4.5310 -4.3737 -4.3737 0.9436 0.9436 0.9716 0.9716 0.9754 0.9754 1.1509 1.1509 1.1582 1.1582 1.1762 1.1762 1.2361 1.2361 1.2389 1.2389 1.3985 1.3985 1.4582 1.4582 1.4661 1.4661 1.5263 1.5263 1.5723 1.5723 1.8275 1.8275 1.8881 1.8881 1.9754 1.9754 1.9844 1.9844 2.0139 2.0139 2.0538 2.0538 2.0548 2.0548 2.0982 2.0982 2.1495 2.1495 2.2027 2.2027 2.2251 2.2251 2.2717 2.2717 2.3010 2.3010 2.3631 2.3631 2.3830 2.3830 2.4152 2.4152 2.4466 2.4466 2.7943 2.7943 3.2133 3.2133 3.2392 3.2392 4.3047 4.3047 4.8669 4.8669 4.9715 4.9715 5.5244 5.5244 6.0506 6.0506 6.0983 6.0983 7.4323 7.4323 7.6042 7.6042 7.6081 7.6081 9.5823 9.5823 9.7019 9.7019 k = 0.1778 0.1778 0.1778 ( 8172 PWs) bands (ev): -4.5236 -4.5236 -4.3757 -4.3757 0.9504 0.9504 0.9816 0.9816 0.9857 0.9857 1.1582 1.1582 1.1662 1.1662 1.1830 1.1830 1.2431 1.2431 1.2497 1.2497 1.3986 1.3986 1.4540 1.4540 1.4655 1.4655 1.5172 1.5172 1.5747 1.5747 1.8133 1.8133 1.8771 1.8771 1.9708 1.9708 1.9778 1.9778 2.0100 2.0100 2.0520 2.0520 2.0522 2.0522 2.0979 2.0979 2.1467 2.1467 2.2039 2.2039 2.2214 2.2214 2.2648 2.2648 2.2994 2.2994 2.3593 2.3593 2.3763 2.3763 2.4121 2.4121 2.4442 2.4442 2.7900 2.7900 3.1728 3.1728 3.1998 3.1998 4.3681 4.3681 4.8197 4.8197 4.9179 4.9179 5.5602 5.5602 6.1544 6.1544 6.2068 6.2068 7.2692 7.2692 7.5581 7.5581 7.5599 7.5599 9.5979 9.5979 9.7107 9.7107 k = 0.1889 0.1889 0.1889 ( 8166 PWs) bands (ev): -4.5159 -4.5159 -4.3777 -4.3777 0.9582 0.9582 0.9924 0.9924 0.9968 0.9968 1.1658 1.1658 1.1746 1.1746 1.1900 1.1900 1.2505 1.2505 1.2609 1.2609 1.3992 1.3992 1.4496 1.4496 1.4640 1.4640 1.5092 1.5092 1.5772 1.5772 1.8003 1.8003 1.8666 1.8666 1.9656 1.9656 1.9710 1.9710 2.0062 2.0062 2.0496 2.0496 2.0505 2.0505 2.0975 2.0975 2.1438 2.1438 2.2047 2.2047 2.2181 2.2181 2.2575 2.2575 2.2973 2.2973 2.3544 2.3544 2.3691 2.3691 2.4087 2.4087 2.4407 2.4407 2.7851 2.7851 3.1344 3.1344 3.1627 3.1627 4.4335 4.4335 4.7686 4.7686 4.8603 4.8603 5.6000 5.6000 6.2586 6.2586 6.3162 6.3162 7.1089 7.1089 7.5146 7.5146 7.5225 7.5225 9.6123 9.6123 9.7171 9.7171 k = 0.2000 0.2000 0.2000 ( 8172 PWs) bands (ev): -4.5082 -4.5082 -4.3796 -4.3796 0.9671 0.9671 1.0038 1.0038 1.0085 1.0085 1.1736 1.1736 1.1831 1.1831 1.1972 1.1972 1.2582 1.2582 1.2725 1.2725 1.4002 1.4002 1.4450 1.4450 1.4608 1.4608 1.5029 1.5029 1.5796 1.5796 1.7884 1.7884 1.8565 1.8565 1.9599 1.9599 1.9639 1.9639 2.0025 2.0025 2.0476 2.0476 2.0486 2.0486 2.0968 2.0968 2.1409 2.1409 2.2049 2.2049 2.2154 2.2154 2.2497 2.2497 2.2948 2.2948 2.3481 2.3481 2.3617 2.3617 2.4049 2.4049 2.4360 2.4360 2.7797 2.7797 3.0982 3.0982 3.1280 3.1280 4.5000 4.5000 4.7141 4.7141 4.7991 4.7991 5.6438 5.6438 6.3622 6.3622 6.4260 6.4260 6.9527 6.9527 7.4776 7.4776 7.4919 7.4919 9.6275 9.6275 9.7241 9.7241 k = 0.2111 0.2111 0.2111 ( 8169 PWs) bands (ev): -4.5004 -4.5004 -4.3814 -4.3814 0.9770 0.9770 1.0160 1.0160 1.0210 1.0210 1.1817 1.1817 1.1918 1.1918 1.2048 1.2048 1.2660 1.2660 1.2841 1.2841 1.4017 1.4017 1.4403 1.4403 1.4560 1.4560 1.4986 1.4986 1.5820 1.5820 1.7778 1.7778 1.8468 1.8468 1.9536 1.9536 1.9567 1.9567 1.9989 1.9989 2.0458 2.0458 2.0461 2.0461 2.0960 2.0960 2.1381 2.1381 2.2047 2.2047 2.2130 2.2130 2.2415 2.2415 2.2918 2.2918 2.3405 2.3405 2.3542 2.3542 2.4006 2.4006 2.4300 2.4300 2.7738 2.7738 3.0643 3.0643 3.0960 3.0960 4.5655 4.5655 4.6578 4.6578 4.7346 4.7346 5.6917 5.6917 6.4640 6.4640 6.5357 6.5357 6.8024 6.8024 7.4469 7.4469 7.4679 7.4679 9.6453 9.6453 9.7337 9.7337 k = 0.2222 0.2222 0.2222 ( 8168 PWs) bands (ev): -4.4925 -4.4925 -4.3832 -4.3832 0.9882 0.9882 1.0288 1.0288 1.0340 1.0340 1.1901 1.1901 1.2005 1.2005 1.2127 1.2127 1.2740 1.2740 1.2955 1.2955 1.4034 1.4034 1.4357 1.4357 1.4498 1.4498 1.4961 1.4961 1.5844 1.5844 1.7686 1.7686 1.8377 1.8377 1.9470 1.9470 1.9493 1.9493 1.9954 1.9954 2.0429 2.0429 2.0442 2.0442 2.0952 2.0952 2.1353 2.1353 2.2039 2.2039 2.2111 2.2111 2.2330 2.2330 2.2883 2.2883 2.3315 2.3315 2.3468 2.3468 2.3956 2.3956 2.4225 2.4225 2.7675 2.7675 3.0329 3.0329 3.0666 3.0666 4.5877 4.5877 4.6412 4.6412 4.6674 4.6674 5.7436 5.7436 6.5545 6.5545 6.6444 6.6444 6.6681 6.6681 7.4223 7.4223 7.4501 7.4501 9.6668 9.6668 9.7472 9.7472 k = 0.2333 0.2333 0.2333 ( 8180 PWs) bands (ev): -4.4848 -4.4848 -4.3849 -4.3849 1.0006 1.0006 1.0423 1.0423 1.0477 1.0477 1.1986 1.1986 1.2093 1.2093 1.2210 1.2210 1.2820 1.2820 1.3065 1.3065 1.4055 1.4055 1.4311 1.4311 1.4429 1.4429 1.4949 1.4949 1.5867 1.5867 1.7606 1.7606 1.8291 1.8291 1.9399 1.9399 1.9419 1.9419 1.9918 1.9918 2.0390 2.0390 2.0427 2.0427 2.0942 2.0942 2.1326 2.1326 2.2028 2.2028 2.2095 2.2095 2.2243 2.2243 2.2844 2.2844 2.3215 2.3215 2.3393 2.3393 2.3901 2.3901 2.4136 2.4136 2.7610 2.7610 3.0040 3.0040 3.0399 3.0399 4.5284 4.5284 4.5978 4.5978 4.7008 4.7008 5.7995 5.7995 6.5029 6.5029 6.6820 6.6820 6.7517 6.7517 7.4036 7.4036 7.4381 7.4381 9.6931 9.6931 9.7655 9.7655 k = 0.2444 0.2444 0.2444 ( 8171 PWs) bands (ev): -4.4771 -4.4771 -4.3864 -4.3864 1.0143 1.0143 1.0565 1.0565 1.0621 1.0621 1.2074 1.2074 1.2181 1.2181 1.2297 1.2297 1.2900 1.2900 1.3170 1.3170 1.4078 1.4078 1.4267 1.4267 1.4362 1.4362 1.4944 1.4944 1.5891 1.5891 1.7542 1.7542 1.8211 1.8211 1.9327 1.9327 1.9344 1.9344 1.9880 1.9880 2.0345 2.0345 2.0412 2.0412 2.0932 2.0932 2.1302 2.1302 2.2014 2.2014 2.2081 2.2081 2.2154 2.2154 2.2801 2.2801 2.3108 2.3108 2.3315 2.3315 2.3842 2.3842 2.4032 2.4032 2.7545 2.7545 2.9776 2.9776 3.0161 3.0161 4.4636 4.4636 4.5265 4.5265 4.7590 4.7590 5.8593 5.8593 6.3805 6.3805 6.7748 6.7748 6.8568 6.8568 7.3902 7.3902 7.4315 7.4315 9.7251 9.7251 9.7893 9.7893 k = 0.2556 0.2556 0.2556 ( 8174 PWs) bands (ev): -4.4695 -4.4695 -4.3878 -4.3878 1.0294 1.0294 1.0713 1.0713 1.0770 1.0770 1.2163 1.2163 1.2269 1.2269 1.2387 1.2387 1.2977 1.2977 1.3267 1.3267 1.4100 1.4100 1.4227 1.4227 1.4303 1.4303 1.4943 1.4943 1.5915 1.5915 1.7490 1.7490 1.8136 1.8136 1.9253 1.9253 1.9271 1.9271 1.9840 1.9840 2.0292 2.0292 2.0397 2.0397 2.0920 2.0920 2.1281 2.1281 2.1995 2.1995 2.2063 2.2063 2.2070 2.2070 2.2755 2.2755 2.2994 2.2994 2.3232 2.3232 2.3779 2.3779 2.3914 2.3914 2.7480 2.7480 2.9540 2.9540 2.9951 2.9951 4.3968 4.3968 4.4539 4.4539 4.8090 4.8090 5.9230 5.9230 6.2682 6.2682 6.8684 6.8684 6.9591 6.9591 7.3819 7.3819 7.4300 7.4300 9.7635 9.7635 9.8195 9.8195 k = 0.2667 0.2667 0.2667 ( 8180 PWs) bands (ev): -4.4622 -4.4622 -4.3891 -4.3891 1.0459 1.0459 1.0867 1.0867 1.0925 1.0925 1.2253 1.2253 1.2357 1.2357 1.2479 1.2479 1.3053 1.3053 1.3355 1.3355 1.4117 1.4117 1.4191 1.4191 1.4260 1.4260 1.4943 1.4943 1.5941 1.5941 1.7452 1.7452 1.8067 1.8067 1.9178 1.9178 1.9198 1.9198 1.9795 1.9795 2.0235 2.0235 2.0381 2.0381 2.0905 2.0905 2.1263 2.1263 2.1971 2.1971 2.1972 2.1972 2.2060 2.2060 2.2704 2.2704 2.2877 2.2877 2.3142 2.3142 2.3716 2.3716 2.3783 2.3783 2.7418 2.7418 2.9330 2.9330 2.9769 2.9769 4.3288 4.3288 4.3804 4.3804 4.8459 4.8459 5.9904 5.9904 6.1739 6.1739 6.9590 6.9590 7.0577 7.0577 7.3782 7.3782 7.4329 7.4329 9.8090 9.8090 9.8568 9.8568 k = 0.2778 0.2778 0.2778 ( 8180 PWs) bands (ev): -4.4550 -4.4550 -4.3902 -4.3902 1.0637 1.0637 1.1027 1.1027 1.1086 1.1086 1.2345 1.2345 1.2446 1.2446 1.2573 1.2573 1.3124 1.3124 1.3430 1.3430 1.4121 1.4121 1.4160 1.4160 1.4243 1.4243 1.4943 1.4943 1.5968 1.5968 1.7427 1.7427 1.8002 1.8002 1.9104 1.9104 1.9128 1.9128 1.9747 1.9747 2.0174 2.0174 2.0363 2.0363 2.0888 2.0888 2.1249 2.1249 2.1879 2.1879 2.1945 2.1945 2.2052 2.2052 2.2650 2.2650 2.2757 2.2757 2.3044 2.3044 2.3639 2.3639 2.3653 2.3653 2.7361 2.7361 2.9147 2.9147 2.9614 2.9614 4.2599 4.2599 4.3065 4.3065 4.8641 4.8641 6.0614 6.0614 6.1038 6.1038 7.0455 7.0455 7.1520 7.1520 7.3788 7.3788 7.4400 7.4400 9.8621 9.8621 9.9018 9.9018 k = 0.2889 0.2889 0.2889 ( 8168 PWs) bands (ev): -4.4482 -4.4482 -4.3912 -4.3912 1.0829 1.0829 1.1192 1.1192 1.1252 1.1252 1.2437 1.2437 1.2534 1.2534 1.2668 1.2668 1.3191 1.3191 1.3490 1.3490 1.4118 1.4118 1.4137 1.4137 1.4252 1.4252 1.4943 1.4943 1.5999 1.5999 1.7413 1.7413 1.7942 1.7942 1.9032 1.9032 1.9062 1.9062 1.9693 1.9693 2.0110 2.0110 2.0343 2.0343 2.0868 2.0868 2.1236 2.1236 2.1786 2.1786 2.1914 2.1914 2.2046 2.2046 2.2592 2.2592 2.2635 2.2635 2.2937 2.2937 2.3486 2.3486 2.3593 2.3593 2.7310 2.7310 2.8992 2.8992 2.9487 2.9487 4.1907 4.1907 4.2326 4.2326 4.8587 4.8587 6.0627 6.0627 6.1362 6.1362 7.1272 7.1272 7.2412 7.2412 7.3831 7.3831 7.4509 7.4509 9.9233 9.9233 9.9550 9.9550 k = 0.3000 0.3000 0.3000 ( 8159 PWs) bands (ev): -4.4416 -4.4416 -4.3920 -4.3920 1.1033 1.1033 1.1362 1.1362 1.1423 1.1423 1.2530 1.2530 1.2623 1.2623 1.2762 1.2762 1.3252 1.3252 1.3534 1.3534 1.4120 1.4120 1.4121 1.4121 1.4274 1.4274 1.4942 1.4942 1.6032 1.6032 1.7407 1.7407 1.7887 1.7887 1.8963 1.8963 1.9000 1.9000 1.9635 1.9635 2.0045 2.0045 2.0319 2.0319 2.0846 2.0846 2.1223 2.1223 2.1695 2.1695 2.1880 2.1880 2.2040 2.2040 2.2512 2.2512 2.2529 2.2529 2.2821 2.2821 2.3324 2.3324 2.3538 2.3538 2.7269 2.7269 2.8865 2.8865 2.9386 2.9386 4.1215 4.1215 4.1590 4.1590 4.8270 4.8270 6.0537 6.0537 6.2142 6.2142 7.2035 7.2035 7.3245 7.3245 7.3910 7.3910 7.4652 7.4652 9.9929 9.9929 10.0172 10.0172 k = 0.3111 0.3111 0.3111 ( 8147 PWs) bands (ev): -4.4354 -4.4354 -4.3926 -4.3926 1.1248 1.1248 1.1536 1.1536 1.1597 1.1597 1.2622 1.2622 1.2711 1.2711 1.2855 1.2855 1.3307 1.3307 1.3562 1.3562 1.4113 1.4113 1.4138 1.4138 1.4299 1.4299 1.4940 1.4940 1.6070 1.6070 1.7409 1.7409 1.7836 1.7836 1.8898 1.8898 1.8943 1.8943 1.9571 1.9571 1.9981 1.9981 2.0291 2.0291 2.0821 2.0821 2.1209 2.1209 2.1605 2.1605 2.1843 2.1843 2.2035 2.2035 2.2390 2.2390 2.2461 2.2461 2.2698 2.2698 2.3157 2.3157 2.3486 2.3486 2.7238 2.7238 2.8766 2.8766 2.9310 2.9310 4.0527 4.0527 4.0862 4.0862 4.7707 4.7707 6.0751 6.0751 6.2955 6.2955 7.2740 7.2740 7.4008 7.4008 7.4019 7.4019 7.4832 7.4832 10.0710 10.0710 10.0885 10.0885 k = 0.3222 0.3222 0.3222 ( 8150 PWs) bands (ev): -4.4295 -4.4295 -4.3931 -4.3931 1.1473 1.1473 1.1713 1.1713 1.1775 1.1775 1.2714 1.2714 1.2798 1.2798 1.2947 1.2947 1.3357 1.3357 1.3577 1.3577 1.4111 1.4111 1.4171 1.4171 1.4324 1.4324 1.4938 1.4938 1.6111 1.6111 1.7415 1.7415 1.7790 1.7790 1.8839 1.8839 1.8892 1.8892 1.9502 1.9502 1.9916 1.9916 2.0257 2.0257 2.0794 2.0794 2.1192 2.1192 2.1517 2.1517 2.1805 2.1805 2.2028 2.2028 2.2268 2.2268 2.2386 2.2386 2.2568 2.2568 2.2988 2.2988 2.3439 2.3439 2.7219 2.7219 2.8696 2.8696 2.9259 2.9259 3.9845 3.9845 4.0143 4.0143 4.6942 4.6942 6.1224 6.1224 6.3800 6.3800 7.3382 7.3382 7.4158 7.4158 7.4666 7.4666 7.5077 7.5077 10.1568 10.1568 10.1693 10.1693 k = 0.3333 0.3333 0.3333 ( 8156 PWs) bands (ev): -4.4240 -4.4240 -4.3934 -4.3934 1.1704 1.1704 1.1891 1.1891 1.1956 1.1956 1.2804 1.2804 1.2884 1.2884 1.3036 1.3036 1.3401 1.3401 1.3584 1.3584 1.4116 1.4116 1.4216 1.4216 1.4347 1.4347 1.4937 1.4937 1.6159 1.6159 1.7422 1.7422 1.7749 1.7749 1.8787 1.8787 1.8849 1.8849 1.9430 1.9430 1.9851 1.9851 2.0215 2.0215 2.0765 2.0765 2.1171 2.1171 2.1431 2.1431 2.1765 2.1765 2.2021 2.2021 2.2150 2.2150 2.2303 2.2303 2.2436 2.2436 2.2823 2.2823 2.3396 2.3396 2.7215 2.7215 2.8655 2.8655 2.9232 2.9232 3.9173 3.9173 3.9439 3.9439 4.6032 4.6032 6.1900 6.1900 6.4674 6.4674 7.3949 7.3949 7.4333 7.4333 7.5092 7.5092 7.5506 7.5506 10.2402 10.2402 10.2597 10.2597 k = 0.3444 0.3444 0.3444 ( 8150 PWs) bands (ev): -4.4189 -4.4189 -4.3935 -4.3935 1.1937 1.1937 1.2070 1.2070 1.2140 1.2140 1.2893 1.2893 1.2968 1.2968 1.3122 1.3122 1.3443 1.3443 1.3590 1.3590 1.4125 1.4125 1.4266 1.4266 1.4368 1.4368 1.4937 1.4937 1.6213 1.6213 1.7429 1.7429 1.7714 1.7714 1.8744 1.8744 1.8815 1.8815 1.9357 1.9357 1.9785 1.9785 2.0166 2.0166 2.0735 2.0735 2.1145 2.1145 2.1347 2.1347 2.1720 2.1720 2.2010 2.2010 2.2040 2.2040 2.2209 2.2209 2.2305 2.2305 2.2666 2.2666 2.3355 2.3355 2.7228 2.7228 2.8644 2.8644 2.9228 2.9228 3.8513 3.8513 3.8749 3.8749 4.5026 4.5026 6.2731 6.2731 6.5576 6.5576 7.4372 7.4372 7.4610 7.4610 7.5361 7.5361 7.6040 7.6040 10.1741 10.1741 10.2209 10.2209 k = 0.3556 0.3556 0.3556 ( 8147 PWs) bands (ev): -4.4142 -4.4142 -4.3935 -4.3935 1.2168 1.2168 1.2248 1.2248 1.2328 1.2328 1.2979 1.2979 1.3049 1.3049 1.3205 1.3205 1.3483 1.3483 1.3598 1.3598 1.4137 1.4137 1.4312 1.4312 1.4395 1.4395 1.4938 1.4938 1.6274 1.6274 1.7433 1.7433 1.7685 1.7685 1.8709 1.8709 1.8790 1.8790 1.9285 1.9285 1.9720 1.9720 2.0108 2.0108 2.0702 2.0702 2.1114 2.1114 2.1263 2.1263 2.1669 2.1669 2.1939 2.1939 2.1997 2.1997 2.2101 2.2101 2.2182 2.2182 2.2523 2.2523 2.3314 2.3314 2.7261 2.7261 2.8662 2.8662 2.9246 2.9246 3.7868 3.7868 3.8078 3.8078 4.3961 4.3961 6.3677 6.3677 6.6503 6.6503 7.4618 7.4618 7.5021 7.5021 7.5610 7.5610 7.6538 7.6538 10.0544 10.0544 10.1091 10.1091 k = 0.3667 0.3667 0.3667 ( 8159 PWs) bands (ev): -4.4099 -4.4099 -4.3934 -4.3934 1.2388 1.2388 1.2423 1.2423 1.2523 1.2523 1.3063 1.3063 1.3127 1.3127 1.3283 1.3283 1.3523 1.3523 1.3611 1.3611 1.4148 1.4148 1.4336 1.4336 1.4441 1.4441 1.4940 1.4940 1.6344 1.6344 1.7432 1.7432 1.7664 1.7664 1.8681 1.8681 1.8775 1.8775 1.9216 1.9216 1.9653 1.9653 2.0040 2.0040 2.0667 2.0667 2.1075 2.1075 2.1176 2.1176 2.1605 2.1605 2.1858 2.1858 2.1962 2.1962 2.1983 2.1983 2.2083 2.2083 2.2399 2.2399 2.3274 2.3274 2.7318 2.7318 2.8709 2.8709 2.9287 2.9287 3.7239 3.7239 3.7427 3.7427 4.2865 4.2865 6.4710 6.4710 6.7453 6.7453 7.4832 7.4832 7.5419 7.5419 7.5859 7.5859 7.6979 7.6979 9.9292 9.9292 9.9883 9.9883 k = 0.3778 0.3778 0.3778 ( 8156 PWs) bands (ev): -4.4060 -4.4060 -4.3931 -4.3931 1.2588 1.2588 1.2592 1.2592 1.2727 1.2727 1.3144 1.3144 1.3200 1.3200 1.3356 1.3356 1.3565 1.3565 1.3631 1.3631 1.4157 1.4157 1.4339 1.4339 1.4504 1.4504 1.4944 1.4944 1.6425 1.6425 1.7426 1.7426 1.7653 1.7653 1.8658 1.8658 1.8770 1.8770 1.9154 1.9154 1.9585 1.9585 1.9963 1.9963 2.0626 2.0626 2.1030 2.1030 2.1083 2.1083 2.1532 2.1532 2.1788 2.1788 2.1861 2.1861 2.1897 2.1897 2.2033 2.2033 2.2292 2.2292 2.3231 2.3231 2.7403 2.7403 2.8786 2.8786 2.9351 2.9351 3.6627 3.6627 3.6797 3.6797 4.1759 4.1759 6.5809 6.5809 6.8422 6.8422 7.5048 7.5048 7.5770 7.5770 7.6111 7.6111 7.7358 7.7358 9.8010 9.8010 9.8622 9.8622 k = 0.3889 0.3889 0.3889 ( 8162 PWs) bands (ev): -4.4026 -4.4026 -4.3928 -4.3928 1.2754 1.2754 1.2768 1.2768 1.2933 1.2933 1.3222 1.3222 1.3270 1.3270 1.3424 1.3424 1.3609 1.3609 1.3659 1.3659 1.4163 1.4163 1.4330 1.4330 1.4575 1.4575 1.4949 1.4949 1.6516 1.6516 1.7417 1.7417 1.7652 1.7652 1.8633 1.8633 1.8776 1.8776 1.9103 1.9103 1.9516 1.9516 1.9875 1.9875 2.0577 2.0577 2.0976 2.0976 2.0978 2.0978 2.1461 2.1461 2.1712 2.1712 2.1747 2.1747 2.1835 2.1835 2.2011 2.2011 2.2197 2.2197 2.3184 2.3184 2.7522 2.7522 2.8890 2.8890 2.9436 2.9436 3.6035 3.6035 3.6190 3.6190 4.0657 4.0657 6.6958 6.6958 6.9405 6.9405 7.5271 7.5271 7.6074 7.6074 7.6363 7.6363 7.7679 7.7679 9.6713 9.6713 9.7323 9.7323 k = 0.4000 0.4000 0.4000 ( 8144 PWs) bands (ev): -4.3996 -4.3996 -4.3923 -4.3923 1.2905 1.2905 1.2931 1.2931 1.3133 1.3133 1.3298 1.3298 1.3334 1.3334 1.3488 1.3488 1.3654 1.3654 1.3695 1.3695 1.4165 1.4165 1.4313 1.4313 1.4649 1.4649 1.4955 1.4955 1.6619 1.6619 1.7406 1.7406 1.7665 1.7665 1.8603 1.8603 1.8794 1.8794 1.9064 1.9064 1.9449 1.9449 1.9779 1.9779 2.0514 2.0514 2.0854 2.0854 2.0924 2.0924 2.1401 2.1401 2.1624 2.1624 2.1651 2.1651 2.1798 2.1798 2.2000 2.2000 2.2112 2.2112 2.3132 2.3132 2.7678 2.7678 2.9022 2.9022 2.9544 2.9544 3.5463 3.5463 3.5608 3.5608 3.9569 3.9569 6.8142 6.8142 7.0397 7.0397 7.5501 7.5501 7.6332 7.6332 7.6614 7.6614 7.7944 7.7944 9.5410 9.5410 9.5998 9.5998 k = 0.4111 0.4111 0.4111 ( 8156 PWs) bands (ev): -4.3969 -4.3969 -4.3918 -4.3918 1.3042 1.3042 1.3080 1.3080 1.3314 1.3314 1.3374 1.3374 1.3395 1.3395 1.3549 1.3549 1.3700 1.3700 1.3737 1.3737 1.4160 1.4160 1.4289 1.4289 1.4722 1.4722 1.4961 1.4961 1.6732 1.6732 1.7396 1.7396 1.7691 1.7691 1.8566 1.8566 1.8821 1.8821 1.9034 1.9034 1.9384 1.9384 1.9673 1.9673 2.0432 2.0432 2.0713 2.0713 2.0875 2.0875 2.1353 2.1353 2.1539 2.1539 2.1577 2.1577 2.1773 2.1773 2.1995 2.1995 2.2033 2.2033 2.3074 2.3074 2.7877 2.7877 2.9180 2.9180 2.9673 2.9673 3.4913 3.4913 3.5051 3.5051 3.8505 3.8505 6.9349 6.9349 7.1386 7.1386 7.5740 7.5740 7.6550 7.6550 7.6860 7.6860 7.8156 7.8156 9.4114 9.4114 9.4659 9.4659 k = 0.4222 0.4222 0.4222 ( 8168 PWs) bands (ev): -4.3947 -4.3947 -4.3912 -4.3912 1.3163 1.3163 1.3212 1.3212 1.3440 1.3440 1.3449 1.3449 1.3484 1.3484 1.3609 1.3609 1.3746 1.3746 1.3782 1.3782 1.4151 1.4151 1.4260 1.4260 1.4794 1.4794 1.4970 1.4970 1.6854 1.6854 1.7389 1.7389 1.7734 1.7734 1.8523 1.8523 1.8858 1.8858 1.9006 1.9006 1.9329 1.9329 1.9560 1.9560 2.0328 2.0328 2.0558 2.0558 2.0838 2.0838 2.1308 2.1308 2.1473 2.1473 2.1526 2.1526 2.1754 2.1754 2.1959 2.1959 2.2000 2.2000 2.3008 2.3008 2.8123 2.8123 2.9363 2.9363 2.9826 2.9826 3.4384 3.4384 3.4519 3.4519 3.7469 3.7469 7.0563 7.0563 7.2359 7.2359 7.5993 7.5993 7.6733 7.6733 7.7099 7.7099 7.8319 7.8319 9.2835 9.2835 9.3319 9.3319 k = 0.4333 0.4333 0.4333 ( 8165 PWs) bands (ev): -4.3929 -4.3929 -4.3907 -4.3907 1.3267 1.3267 1.3326 1.3326 1.3496 1.3496 1.3523 1.3523 1.3609 1.3609 1.3675 1.3675 1.3789 1.3789 1.3827 1.3827 1.4137 1.4137 1.4227 1.4227 1.4861 1.4861 1.4981 1.4981 1.6983 1.6983 1.7388 1.7388 1.7795 1.7795 1.8478 1.8478 1.8903 1.8903 1.8970 1.8970 1.9291 1.9291 1.9442 1.9442 2.0208 2.0208 2.0394 2.0394 2.0815 2.0815 2.1255 2.1255 2.1440 2.1440 2.1495 2.1495 2.1734 2.1734 2.1890 2.1890 2.2015 2.2015 2.2935 2.2935 2.8421 2.8421 2.9571 2.9571 3.0000 3.0000 3.3878 3.3878 3.4015 3.4015 3.6469 3.6469 7.1767 7.1767 7.3290 7.3290 7.6273 7.6273 7.6890 7.6890 7.7328 7.7328 7.8436 7.8436 9.1586 9.1586 9.1993 9.1993 k = 0.4444 0.4444 0.4444 ( 8153 PWs) bands (ev): -4.3914 -4.3914 -4.3901 -4.3901 1.3355 1.3355 1.3421 1.3421 1.3546 1.3546 1.3591 1.3591 1.3693 1.3693 1.3758 1.3758 1.3829 1.3829 1.3870 1.3870 1.4120 1.4120 1.4191 1.4191 1.4920 1.4920 1.4994 1.4994 1.7111 1.7111 1.7395 1.7395 1.7873 1.7873 1.8437 1.8437 1.8916 1.8916 1.8948 1.8948 1.9276 1.9276 1.9326 1.9326 2.0079 2.0079 2.0228 2.0228 2.0806 2.0806 2.1190 2.1190 2.1436 2.1436 2.1481 2.1481 2.1712 2.1712 2.1825 2.1825 2.2044 2.2044 2.2854 2.2854 2.8772 2.8772 2.9802 2.9802 3.0198 3.0198 3.3395 3.3395 3.3537 3.3537 3.5509 3.5509 7.2932 7.2932 7.4137 7.4137 7.6600 7.6600 7.7035 7.7035 7.7545 7.7545 7.8512 7.8512 9.0382 9.0382 9.0701 9.0701 k = 0.4556 0.4556 0.4556 ( 8159 PWs) bands (ev): -4.3902 -4.3902 -4.3896 -4.3896 1.3432 1.3432 1.3495 1.3495 1.3591 1.3591 1.3646 1.3646 1.3752 1.3752 1.3839 1.3839 1.3867 1.3867 1.3909 1.3909 1.4101 1.4101 1.4151 1.4151 1.4969 1.4969 1.5009 1.5009 1.7232 1.7232 1.7409 1.7409 1.7969 1.7969 1.8404 1.8404 1.8844 1.8844 1.8969 1.8969 1.9236 1.9236 1.9285 1.9285 1.9947 1.9947 2.0065 2.0065 2.0809 2.0809 2.1124 2.1124 2.1451 2.1451 2.1479 2.1479 2.1687 2.1687 2.1764 2.1764 2.2087 2.2087 2.2766 2.2766 2.9181 2.9181 3.0057 3.0057 3.0420 3.0420 3.2936 3.2936 3.3086 3.3086 3.4593 3.4593 7.4010 7.4010 7.4843 7.4843 7.7004 7.7004 7.7195 7.7195 7.7747 7.7747 7.8548 7.8548 8.9248 8.9248 8.9475 8.9475 k = 0.4667 0.4667 0.4667 ( 8171 PWs) bands (ev): -4.3894 -4.3894 -4.3891 -4.3891 1.3499 1.3499 1.3553 1.3553 1.3628 1.3628 1.3680 1.3680 1.3805 1.3805 1.3901 1.3901 1.3903 1.3903 1.3942 1.3942 1.4080 1.4080 1.4110 1.4110 1.5005 1.5005 1.5027 1.5027 1.7337 1.7337 1.7430 1.7430 1.8082 1.8082 1.8387 1.8387 1.8759 1.8759 1.8911 1.8911 1.9230 1.9230 1.9313 1.9313 1.9819 1.9819 1.9908 1.9908 2.0821 2.0821 2.1061 2.1061 2.1475 2.1475 2.1489 2.1489 2.1660 2.1660 2.1707 2.1707 2.2145 2.2145 2.2673 2.2673 2.9648 2.9648 3.0333 3.0333 3.0665 3.0665 3.2500 3.2500 3.2661 3.2661 3.3726 3.3726 7.4919 7.4919 7.5361 7.5361 7.7404 7.7404 7.7497 7.7497 7.7932 7.7932 7.8549 7.8549 8.8221 8.8221 8.8361 8.8361 k = 0.4778 0.4778 0.4778 ( 8153 PWs) bands (ev): -4.3888 -4.3888 -4.3887 -4.3887 1.3558 1.3558 1.3597 1.3597 1.3651 1.3651 1.3691 1.3691 1.3856 1.3856 1.3940 1.3940 1.3941 1.3941 1.3969 1.3969 1.4059 1.4059 1.4070 1.4070 1.5029 1.5029 1.5044 1.5044 1.7416 1.7416 1.7454 1.7454 1.8209 1.8209 1.8395 1.8395 1.8667 1.8667 1.8787 1.8787 1.9294 1.9294 1.9359 1.9359 1.9700 1.9700 1.9760 1.9760 2.0842 2.0842 2.1003 2.1003 2.1505 2.1505 2.1508 2.1508 2.1631 2.1631 2.1655 2.1655 2.2215 2.2215 2.2578 2.2578 3.0172 3.0172 3.0631 3.0631 3.0934 3.0934 3.2090 3.2090 3.2264 3.2264 3.2912 3.2912 7.5549 7.5549 7.5697 7.5697 7.7736 7.7736 7.7974 7.7974 7.8097 7.8097 7.8516 7.8516 8.7362 8.7362 8.7434 8.7434 k = 0.4889 0.4889 0.4889 ( 8144 PWs) bands (ev): -4.3885 -4.3885 -4.3885 -4.3885 1.3609 1.3609 1.3630 1.3630 1.3658 1.3658 1.3679 1.3679 1.3903 1.3903 1.3956 1.3956 1.3975 1.3975 1.3990 1.3990 1.4033 1.4033 1.4035 1.4035 1.5045 1.5045 1.5054 1.5054 1.7462 1.7462 1.7474 1.7474 1.8348 1.8348 1.8431 1.8431 1.8576 1.8576 1.8643 1.8643 1.9388 1.9388 1.9421 1.9421 1.9593 1.9593 1.9624 1.9624 2.0872 2.0872 2.0953 2.0953 2.1535 2.1535 2.1536 2.1536 2.1600 2.1600 2.1609 2.1609 2.2297 2.2297 2.2481 2.2481 3.0746 3.0746 3.0945 3.0945 3.1228 3.1228 3.1712 3.1712 3.1893 3.1893 3.2159 3.2159 7.5865 7.5865 7.5890 7.5890 7.8118 7.8118 7.8240 7.8240 7.8306 7.8306 7.8452 7.8452 8.6767 8.6767 8.6799 8.6799 k = 0.5000 0.5000 0.5000 ( 8144 PWs) bands (ev): -4.3884 -4.3884 -4.3884 -4.3884 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3941 1.3941 1.3941 1.3941 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.5054 1.5054 1.5054 1.5054 1.7480 1.7480 1.7480 1.7480 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 2.0908 2.0908 2.0908 2.0908 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.2386 2.2386 2.2386 2.2386 3.1193 3.1193 3.1193 3.1193 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 7.5953 7.5953 7.5953 7.5953 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 8.6560 8.6560 8.6560 8.6560 k = 0.5000 0.5000 0.5000 ( 8144 PWs) bands (ev): -4.3884 -4.3884 -4.3884 -4.3884 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3941 1.3941 1.3941 1.3941 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.5054 1.5054 1.5054 1.5054 1.7480 1.7480 1.7480 1.7480 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 2.0908 2.0908 2.0908 2.0908 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.2386 2.2386 2.2386 2.2386 3.1193 3.1193 3.1193 3.1193 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 7.5953 7.5953 7.5953 7.5953 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 8.6560 8.6560 8.6560 8.6560 k = 0.4865 0.5000 0.4865 ( 8144 PWs) bands (ev): -4.3885 -4.3885 -4.3885 -4.3885 1.3609 1.3609 1.3631 1.3631 1.3657 1.3657 1.3680 1.3680 1.3902 1.3902 1.3957 1.3957 1.3977 1.3977 1.3991 1.3991 1.4026 1.4026 1.4040 1.4040 1.5045 1.5045 1.5054 1.5054 1.7463 1.7463 1.7473 1.7473 1.8348 1.8348 1.8438 1.8438 1.8561 1.8561 1.8651 1.8651 1.9381 1.9381 1.9435 1.9435 1.9575 1.9575 1.9635 1.9635 2.0872 2.0872 2.0952 2.0952 2.1531 2.1531 2.1542 2.1542 2.1595 2.1595 2.1612 2.1612 2.2297 2.2297 2.2480 2.2480 3.0802 3.0802 3.0839 3.0839 3.1444 3.1444 3.1469 3.1469 3.2058 3.2058 3.2070 3.2070 7.5869 7.5869 7.5888 7.5888 7.8155 7.8155 7.8156 7.8156 7.8402 7.8402 7.8407 7.8407 8.6765 8.6765 8.6795 8.6795 k = 0.4730 0.5000 0.4730 ( 8160 PWs) bands (ev): -4.3887 -4.3887 -4.3887 -4.3887 1.3559 1.3559 1.3597 1.3597 1.3649 1.3649 1.3694 1.3694 1.3846 1.3846 1.3926 1.3926 1.3966 1.3966 1.3969 1.3969 1.4051 1.4051 1.4076 1.4076 1.5029 1.5029 1.5044 1.5044 1.7423 1.7423 1.7448 1.7448 1.8220 1.8220 1.8395 1.8395 1.8633 1.8633 1.8810 1.8810 1.9282 1.9282 1.9384 1.9384 1.9659 1.9659 1.9785 1.9785 2.0842 2.0842 2.1003 2.1003 2.1501 2.1501 2.1516 2.1516 2.1620 2.1620 2.1660 2.1660 2.2217 2.2217 2.2576 2.2576 3.0296 3.0296 3.0337 3.0337 3.1449 3.1449 3.1514 3.1514 3.2696 3.2696 3.2704 3.2704 7.5605 7.5605 7.5645 7.5645 7.7774 7.7774 7.7787 7.7787 7.8387 7.8387 7.8399 7.8399 8.7356 8.7356 8.7413 8.7413 k = 0.4595 0.5000 0.4595 ( 8164 PWs) bands (ev): -4.3892 -4.3892 -4.3892 -4.3892 1.3501 1.3501 1.3552 1.3552 1.3625 1.3625 1.3688 1.3688 1.3781 1.3781 1.3863 1.3863 1.3932 1.3932 1.3973 1.3973 1.4079 1.4079 1.4114 1.4114 1.5009 1.5009 1.5026 1.5026 1.7360 1.7360 1.7410 1.7410 1.8116 1.8116 1.8364 1.8364 1.8701 1.8701 1.8962 1.8962 1.9207 1.9207 1.9348 1.9348 1.9751 1.9751 1.9947 1.9947 2.0821 2.0821 2.1060 2.1060 2.1480 2.1480 2.1496 2.1496 2.1641 2.1641 2.1713 2.1713 2.2149 2.2149 2.2672 2.2672 2.9821 2.9821 2.9863 2.9863 3.1482 3.1482 3.1583 3.1583 3.3385 3.3385 3.3386 3.3386 7.5095 7.5095 7.5156 7.5156 7.7363 7.7363 7.7392 7.7392 7.8349 7.8349 7.8370 7.8370 8.8221 8.8221 8.8298 8.8298 k = 0.4459 0.5000 0.4459 ( 8152 PWs) bands (ev): -4.3899 -4.3899 -4.3898 -4.3898 1.3433 1.3433 1.3495 1.3495 1.3575 1.3575 1.3662 1.3662 1.3719 1.3719 1.3779 1.3779 1.3890 1.3890 1.3983 1.3983 1.4107 1.4107 1.4151 1.4151 1.4986 1.4986 1.5001 1.5001 1.7282 1.7282 1.7362 1.7362 1.8037 1.8037 1.8345 1.8345 1.8755 1.8755 1.9094 1.9094 1.9162 1.9162 1.9339 1.9339 1.9847 1.9847 2.0115 2.0115 2.0808 2.0808 2.1120 2.1120 2.1471 2.1471 2.1486 2.1486 2.1657 2.1657 2.1770 2.1770 2.2096 2.2096 2.2765 2.2765 2.9387 2.9387 2.9427 2.9427 3.1538 3.1538 3.1673 3.1673 3.4109 3.4109 3.4115 3.4115 7.4326 7.4326 7.4398 7.4398 7.7035 7.7035 7.7077 7.7077 7.8300 7.8300 7.8330 7.8330 8.9256 8.9256 8.9350 8.9350 k = 0.4324 0.5000 0.4324 ( 8148 PWs) bands (ev): -4.3907 -4.3907 -4.3907 -4.3907 1.3345 1.3345 1.3425 1.3425 1.3499 1.3499 1.3613 1.3613 1.3669 1.3669 1.3682 1.3682 1.3846 1.3846 1.3996 1.3996 1.4132 1.4132 1.4186 1.4186 1.4963 1.4963 1.4969 1.4969 1.7195 1.7195 1.7310 1.7310 1.7982 1.7982 1.8333 1.8333 1.8782 1.8782 1.9154 1.9154 1.9173 1.9173 1.9385 1.9385 1.9942 1.9942 2.0281 2.0281 2.0805 2.0805 2.1178 2.1178 2.1476 2.1476 2.1495 2.1495 2.1668 2.1668 2.1830 2.1830 2.2061 2.2061 2.2853 2.2853 2.8995 2.8995 2.9028 2.9028 3.1617 3.1617 3.1784 3.1784 3.4872 3.4872 3.4884 3.4884 7.3367 7.3367 7.3442 7.3442 7.6782 7.6782 7.6830 7.6830 7.8246 7.8246 7.8286 7.8286 9.0391 9.0391 9.0500 9.0500 k = 0.4189 0.5000 0.4189 ( 8152 PWs) bands (ev): -4.3917 -4.3917 -4.3917 -4.3917 1.3222 1.3222 1.3333 1.3333 1.3419 1.3419 1.3526 1.3526 1.3598 1.3598 1.3622 1.3622 1.3806 1.3806 1.4010 1.4010 1.4154 1.4154 1.4216 1.4216 1.4933 1.4933 1.4941 1.4941 1.7108 1.7108 1.7255 1.7255 1.7948 1.7948 1.8328 1.8328 1.8780 1.8780 1.9181 1.9181 1.9197 1.9197 1.9487 1.9487 2.0033 2.0033 2.0434 2.0434 2.0814 2.0814 2.1220 2.1220 2.1500 2.1500 2.1535 2.1535 2.1678 2.1678 2.1891 2.1891 2.2045 2.2045 2.2935 2.2935 2.8646 2.8646 2.8667 2.8667 3.1720 3.1720 3.1916 3.1916 3.5670 3.5670 3.5688 3.5688 7.2298 7.2298 7.2371 7.2371 7.6557 7.6557 7.6608 7.6608 7.8192 7.8192 7.8242 7.8242 9.1581 9.1581 9.1704 9.1704 k = 0.4054 0.5000 0.4054 ( 8156 PWs) bands (ev): -4.3929 -4.3929 -4.3928 -4.3928 1.3062 1.3062 1.3202 1.3202 1.3348 1.3348 1.3425 1.3425 1.3529 1.3529 1.3567 1.3567 1.3776 1.3776 1.4022 1.4022 1.4171 1.4171 1.4239 1.4239 1.4896 1.4896 1.4921 1.4921 1.7024 1.7024 1.7199 1.7199 1.7934 1.7934 1.8326 1.8326 1.8762 1.8762 1.9207 1.9207 1.9231 1.9231 1.9605 1.9605 2.0115 2.0115 2.0559 2.0559 2.0836 2.0836 2.1243 2.1243 2.1545 2.1545 2.1612 2.1612 2.1698 2.1698 2.1955 2.1955 2.2044 2.2044 2.3011 2.3011 2.8339 2.8339 2.8342 2.8342 3.1847 3.1847 3.2070 3.2070 3.6502 3.6502 3.6524 3.6524 7.1172 7.1172 7.1243 7.1243 7.6325 7.6325 7.6378 7.6378 7.8145 7.8145 7.8205 7.8205 9.2796 9.2796 9.2933 9.2933 k = 0.3919 0.5000 0.3919 ( 8160 PWs) bands (ev): -4.3942 -4.3942 -4.3942 -4.3942 1.2872 1.2872 1.3026 1.3026 1.3285 1.3285 1.3337 1.3337 1.3460 1.3460 1.3500 1.3500 1.3757 1.3757 1.4031 1.4031 1.4182 1.4182 1.4252 1.4252 1.4862 1.4862 1.4904 1.4904 1.6946 1.6946 1.7142 1.7142 1.7937 1.7937 1.8326 1.8326 1.8739 1.8739 1.9220 1.9220 1.9290 1.9290 1.9722 1.9722 2.0187 2.0187 2.0647 2.0647 2.0870 2.0870 2.1250 2.1250 2.1596 2.1596 2.1720 2.1720 2.1749 2.1749 2.2021 2.2021 2.2057 2.2057 2.3079 2.3079 2.8050 2.8050 2.8073 2.8073 3.2000 3.2000 3.2246 3.2246 3.7365 3.7365 3.7391 3.7391 7.0020 7.0020 7.0087 7.0087 7.6070 7.6070 7.6122 7.6122 7.8108 7.8108 7.8177 7.8177 9.4013 9.4013 9.4163 9.4163 k = 0.3784 0.5000 0.3784 ( 8156 PWs) bands (ev): -4.3957 -4.3957 -4.3957 -4.3957 1.2662 1.2662 1.2819 1.2819 1.3227 1.3227 1.3258 1.3258 1.3388 1.3388 1.3422 1.3422 1.3750 1.3750 1.4037 1.4037 1.4186 1.4186 1.4253 1.4253 1.4832 1.4832 1.4890 1.4890 1.6876 1.6876 1.7082 1.7082 1.7959 1.7959 1.8329 1.8329 1.8716 1.8716 1.9241 1.9241 1.9352 1.9352 1.9833 1.9833 2.0248 2.0248 2.0705 2.0705 2.0909 2.0909 2.1252 2.1252 2.1638 2.1638 2.1845 2.1845 2.1846 2.1846 2.2087 2.2087 2.2091 2.2091 2.3141 2.3141 2.7791 2.7791 2.7845 2.7845 3.2179 3.2179 3.2446 3.2446 3.8255 3.8255 3.8284 3.8284 6.8860 6.8860 6.8924 6.8924 7.5781 7.5781 7.5832 7.5832 7.8084 7.8084 7.8161 7.8161 9.5213 9.5213 9.5377 9.5377 k = 0.3649 0.5000 0.3649 ( 8160 PWs) bands (ev): -4.3973 -4.3973 -4.3973 -4.3973 1.2436 1.2436 1.2591 1.2591 1.3171 1.3171 1.3181 1.3181 1.3316 1.3316 1.3337 1.3337 1.3750 1.3750 1.4040 1.4040 1.4184 1.4184 1.4240 1.4240 1.4811 1.4811 1.4879 1.4879 1.6812 1.6812 1.7020 1.7020 1.7997 1.7997 1.8333 1.8333 1.8695 1.8695 1.9269 1.9269 1.9413 1.9413 1.9937 1.9937 2.0297 2.0297 2.0743 2.0743 2.0943 2.0943 2.1254 2.1254 2.1676 2.1676 2.1954 2.1954 2.1973 2.1973 2.2152 2.2152 2.2169 2.2169 2.3197 2.3197 2.7562 2.7562 2.7654 2.7654 3.2385 3.2385 3.2669 3.2669 3.9168 3.9168 3.9200 3.9200 6.7707 6.7707 6.7768 6.7768 7.5453 7.5453 7.5502 7.5502 7.8074 7.8074 7.8158 7.8158 9.6376 9.6376 9.6555 9.6555 k = 0.3514 0.5000 0.3514 ( 8144 PWs) bands (ev): -4.3991 -4.3991 -4.3991 -4.3991 1.2201 1.2201 1.2351 1.2351 1.3102 1.3102 1.3119 1.3119 1.3245 1.3245 1.3248 1.3248 1.3755 1.3755 1.4040 1.4040 1.4177 1.4177 1.4212 1.4212 1.4799 1.4799 1.4871 1.4871 1.6755 1.6755 1.6956 1.6956 1.8052 1.8052 1.8340 1.8340 1.8679 1.8679 1.9305 1.9305 1.9474 1.9474 2.0034 2.0034 2.0336 2.0336 2.0772 2.0772 2.0972 2.0972 2.1256 2.1256 2.1721 2.1721 2.2022 2.2022 2.2088 2.2088 2.2267 2.2267 2.2285 2.2285 2.3249 2.3249 2.7361 2.7361 2.7497 2.7497 3.2619 3.2619 3.2916 3.2916 4.0101 4.0101 4.0134 4.0134 6.6569 6.6569 6.6627 6.6627 7.5086 7.5086 7.5130 7.5130 7.8078 7.8078 7.8168 7.8168 9.7479 9.7479 9.7675 9.7675 k = 0.3378 0.5000 0.3378 ( 8150 PWs) bands (ev): -4.4010 -4.4010 -4.4010 -4.4010 1.1959 1.1959 1.2101 1.2101 1.3021 1.3021 1.3068 1.3068 1.3156 1.3156 1.3176 1.3176 1.3764 1.3764 1.4034 1.4034 1.4166 1.4166 1.4172 1.4172 1.4797 1.4797 1.4864 1.4864 1.6702 1.6702 1.6890 1.6890 1.8120 1.8120 1.8349 1.8349 1.8666 1.8666 1.9345 1.9345 1.9533 1.9533 2.0124 2.0124 2.0366 2.0366 2.0794 2.0794 2.0999 2.0999 2.1260 2.1260 2.1775 2.1775 2.2059 2.2059 2.2176 2.2176 2.2392 2.2392 2.2462 2.2462 2.3297 2.3297 2.7188 2.7188 2.7370 2.7370 3.2881 3.2881 3.3188 3.3188 4.1048 4.1048 4.1082 4.1082 6.5457 6.5457 6.5511 6.5511 7.4679 7.4679 7.4716 7.4716 7.8096 7.8096 7.8191 7.8191 9.8494 9.8494 9.8710 9.8710 k = 0.3243 0.5000 0.3243 ( 8138 PWs) bands (ev): -4.4030 -4.4030 -4.4030 -4.4030 1.1713 1.1713 1.1848 1.1848 1.2937 1.2937 1.3018 1.3018 1.3063 1.3063 1.3112 1.3112 1.3774 1.3774 1.4023 1.4023 1.4124 1.4124 1.4154 1.4154 1.4803 1.4803 1.4858 1.4858 1.6654 1.6654 1.6823 1.6823 1.8200 1.8200 1.8359 1.8359 1.8658 1.8658 1.9389 1.9389 1.9591 1.9591 2.0208 2.0208 2.0389 2.0389 2.0809 2.0809 2.1027 2.1027 2.1266 2.1266 2.1839 2.1839 2.2085 2.2085 2.2244 2.2244 2.2533 2.2533 2.2655 2.2655 2.3345 2.3345 2.7040 2.7040 2.7270 2.7270 3.3172 3.3172 3.3484 3.3484 4.2002 4.2002 4.2037 4.2037 6.4376 6.4376 6.4427 6.4427 7.4230 7.4230 7.4260 7.4260 7.8129 7.8129 7.8227 7.8227 9.9372 9.9372 9.9624 9.9624 k = 0.3108 0.5000 0.3108 ( 8134 PWs) bands (ev): -4.4051 -4.4051 -4.4051 -4.4051 1.1468 1.1468 1.1593 1.1593 1.2850 1.2850 1.2957 1.2957 1.2984 1.2984 1.3052 1.3052 1.3780 1.3780 1.4005 1.4005 1.4075 1.4075 1.4145 1.4145 1.4813 1.4813 1.4853 1.4853 1.6609 1.6609 1.6757 1.6757 1.8286 1.8286 1.8371 1.8371 1.8656 1.8656 1.9434 1.9434 1.9649 1.9649 2.0287 2.0287 2.0407 2.0407 2.0820 2.0820 2.1058 2.1058 2.1272 2.1272 2.1911 2.1911 2.2108 2.2108 2.2302 2.2302 2.2675 2.2675 2.2853 2.2853 2.3396 2.3396 2.6915 2.6915 2.7194 2.7194 3.3492 3.3492 3.3806 3.3806 4.2957 4.2957 4.2992 4.2992 6.3337 6.3337 6.3383 6.3383 7.3742 7.3742 7.3763 7.3763 7.8176 7.8176 7.8276 7.8276 9.9999 9.9999 10.0350 10.0350 k = 0.2973 0.5000 0.2973 ( 8150 PWs) bands (ev): -4.4073 -4.4073 -4.4073 -4.4073 1.1224 1.1224 1.1341 1.1341 1.2761 1.2761 1.2866 1.2866 1.2936 1.2936 1.2995 1.2995 1.3775 1.3775 1.3978 1.3978 1.4035 1.4035 1.4140 1.4140 1.4827 1.4827 1.4848 1.4848 1.6567 1.6567 1.6693 1.6693 1.8372 1.8372 1.8385 1.8385 1.8666 1.8666 1.9478 1.9478 1.9705 1.9705 2.0361 2.0361 2.0422 2.0422 2.0827 2.0827 2.1091 2.1091 2.1278 2.1278 2.1985 2.1985 2.2134 2.2134 2.2354 2.2354 2.2811 2.2811 2.3049 2.3049 2.3453 2.3453 2.6813 2.6813 2.7137 2.7137 3.3840 3.3840 3.4153 3.4153 4.3903 4.3903 4.3938 4.3938 6.2348 6.2348 6.2389 6.2389 7.3214 7.3214 7.3224 7.3224 7.8238 7.8238 7.8340 7.8340 10.0027 10.0027 10.0598 10.0598 k = 0.2838 0.5000 0.2838 ( 8146 PWs) bands (ev): -4.4096 -4.4096 -4.4095 -4.4095 1.0984 1.0984 1.1092 1.1092 1.2672 1.2672 1.2772 1.2772 1.2894 1.2894 1.2942 1.2942 1.3752 1.3752 1.3943 1.3943 1.4014 1.4014 1.4141 1.4141 1.4842 1.4842 1.4844 1.4844 1.6528 1.6528 1.6633 1.6633 1.8399 1.8399 1.8445 1.8445 1.8697 1.8697 1.9518 1.9518 1.9763 1.9763 2.0431 2.0431 2.0434 2.0434 2.0832 2.0832 2.1127 2.1127 2.1284 2.1284 2.2047 2.2047 2.2176 2.2176 2.2402 2.2402 2.2934 2.2934 2.3242 2.3242 2.3520 2.3520 2.6732 2.6732 2.7098 2.7098 3.4216 3.4216 3.4525 3.4525 4.4827 4.4827 4.4862 4.4862 6.1421 6.1421 6.1457 6.1457 7.2646 7.2646 7.2646 7.2646 7.8316 7.8316 7.8420 7.8420 9.9259 9.9259 9.9786 9.9786 k = 0.2703 0.5000 0.2703 ( 8138 PWs) bands (ev): -4.4119 -4.4119 -4.4119 -4.4119 1.0749 1.0749 1.0849 1.0849 1.2583 1.2583 1.2679 1.2679 1.2855 1.2855 1.2893 1.2893 1.3709 1.3709 1.3903 1.3903 1.4014 1.4014 1.4147 1.4147 1.4841 1.4841 1.4857 1.4857 1.6491 1.6491 1.6578 1.6578 1.8413 1.8413 1.8493 1.8493 1.8760 1.8760 1.9553 1.9553 1.9820 1.9820 2.0447 2.0447 2.0496 2.0496 2.0837 2.0837 2.1166 2.1166 2.1289 2.1289 2.2085 2.2085 2.2247 2.2247 2.2447 2.2447 2.3040 2.3040 2.3428 2.3428 2.3601 2.3601 2.6671 2.6671 2.7072 2.7072 3.4619 3.4619 3.4920 3.4920 4.5713 4.5713 4.5749 4.5749 6.0571 6.0571 6.0600 6.0600 7.2029 7.2029 7.2041 7.2041 7.8412 7.8412 7.8516 7.8516 9.8225 9.8225 9.8686 9.8686 k = 0.2568 0.5000 0.2568 ( 8140 PWs) bands (ev): -4.4143 -4.4143 -4.4142 -4.4142 1.0522 1.0522 1.0614 1.0614 1.2495 1.2495 1.2588 1.2588 1.2817 1.2817 1.2846 1.2846 1.3654 1.3654 1.3858 1.3858 1.4029 1.4029 1.4158 1.4158 1.4838 1.4838 1.4871 1.4871 1.6455 1.6455 1.6531 1.6531 1.8428 1.8428 1.8517 1.8517 1.8850 1.8850 1.9582 1.9582 1.9876 1.9876 2.0459 2.0459 2.0556 2.0556 2.0844 2.0844 2.1207 2.1207 2.1292 2.1292 2.2104 2.2104 2.2338 2.2338 2.2491 2.2491 2.3128 2.3128 2.3607 2.3607 2.3697 2.3697 2.6628 2.6628 2.7057 2.7057 3.5048 3.5048 3.5339 3.5339 4.6541 4.6541 4.6578 4.6578 5.9816 5.9816 5.9838 5.9838 7.1375 7.1375 7.1398 7.1398 7.8527 7.8527 7.8631 7.8631 9.7172 9.7172 9.7603 9.7603 k = 0.2432 0.5000 0.2432 ( 8144 PWs) bands (ev): -4.4167 -4.4167 -4.4166 -4.4166 1.0303 1.0303 1.0388 1.0388 1.2410 1.2410 1.2499 1.2499 1.2781 1.2781 1.2801 1.2801 1.3593 1.3593 1.3811 1.3811 1.4053 1.4053 1.4172 1.4172 1.4835 1.4835 1.4883 1.4883 1.6421 1.6421 1.6492 1.6492 1.8443 1.8443 1.8530 1.8530 1.8953 1.8953 1.9603 1.9603 1.9932 1.9932 2.0473 2.0473 2.0608 2.0608 2.0853 2.0853 2.1250 2.1250 2.1294 2.1294 2.2115 2.2115 2.2439 2.2439 2.2532 2.2532 2.3199 2.3199 2.3779 2.3779 2.3803 2.3803 2.6602 2.6602 2.7051 2.7051 3.5500 3.5500 3.5780 3.5780 4.7285 4.7285 4.7322 4.7322 5.9182 5.9182 5.9195 5.9195 7.0686 7.0686 7.0721 7.0721 7.8663 7.8663 7.8767 7.8767 9.6159 9.6159 9.6575 9.6575 k = 0.2297 0.5000 0.2297 ( 8148 PWs) bands (ev): -4.4191 -4.4191 -4.4190 -4.4190 1.0093 1.0093 1.0171 1.0171 1.2327 1.2327 1.2413 1.2413 1.2746 1.2746 1.2759 1.2759 1.3533 1.3533 1.3762 1.3762 1.4081 1.4081 1.4191 1.4191 1.4834 1.4834 1.4892 1.4892 1.6388 1.6388 1.6462 1.6462 1.8458 1.8458 1.8538 1.8538 1.9060 1.9060 1.9617 1.9617 1.9987 1.9987 2.0488 2.0488 2.0651 2.0651 2.0866 2.0866 2.1294 2.1294 2.1296 2.1296 2.2122 2.2122 2.2543 2.2543 2.2572 2.2572 2.3258 2.3258 2.3918 2.3918 2.3942 2.3942 2.6592 2.6592 2.7053 2.7053 3.5974 3.5974 3.6242 3.6242 4.7911 4.7911 4.7949 4.7949 5.8699 5.8699 5.8700 5.8700 6.9963 6.9963 7.0012 7.0012 7.8825 7.8825 7.8928 7.8928 9.5202 9.5202 9.5610 9.5610 k = 0.2162 0.5000 0.2162 ( 8148 PWs) bands (ev): -4.4215 -4.4215 -4.4214 -4.4214 0.9894 0.9894 0.9964 0.9964 1.2247 1.2247 1.2330 1.2330 1.2711 1.2711 1.2719 1.2719 1.3475 1.3475 1.3712 1.3712 1.4112 1.4112 1.4213 1.4213 1.4833 1.4833 1.4898 1.4898 1.6355 1.6355 1.6442 1.6442 1.8475 1.8475 1.8545 1.8545 1.9166 1.9166 1.9624 1.9624 2.0040 2.0040 2.0506 2.0506 2.0682 2.0682 2.0884 2.0884 2.1299 2.1299 2.1340 2.1340 2.2128 2.2128 2.2610 2.2610 2.2649 2.2649 2.3308 2.3308 2.4036 2.4036 2.4097 2.4097 2.6595 2.6595 2.7060 2.7060 3.6467 3.6467 3.6721 3.6721 4.8387 4.8387 4.8426 4.8426 5.8384 5.8384 5.8396 5.8396 6.9211 6.9211 6.9273 6.9273 7.9014 7.9014 7.9117 7.9117 9.4309 9.4309 9.4712 9.4712 k = 0.2027 0.5000 0.2027 ( 8154 PWs) bands (ev): -4.4238 -4.4238 -4.4238 -4.4238 0.9704 0.9704 0.9769 0.9769 1.2170 1.2170 1.2250 1.2250 1.2676 1.2676 1.2680 1.2680 1.3422 1.3422 1.3663 1.3663 1.4145 1.4145 1.4239 1.4239 1.4834 1.4834 1.4900 1.4900 1.6324 1.6324 1.6431 1.6431 1.8493 1.8493 1.8553 1.8553 1.9268 1.9268 1.9623 1.9623 2.0089 2.0089 2.0524 2.0524 2.0701 2.0701 2.0907 2.0907 2.1304 2.1304 2.1387 2.1387 2.2133 2.2133 2.2646 2.2646 2.2754 2.2754 2.3353 2.3353 2.4155 2.4155 2.4244 2.4244 2.6612 2.6612 2.7072 2.7072 3.6976 3.6976 3.7217 3.7217 4.8686 4.8686 4.8727 4.8727 5.8271 5.8271 5.8297 5.8297 6.8433 6.8433 6.8509 6.8509 7.9235 7.9235 7.9337 7.9337 9.3481 9.3481 9.3883 9.3883 k = 0.1892 0.5000 0.1892 ( 8138 PWs) bands (ev): -4.4262 -4.4262 -4.4261 -4.4261 0.9527 0.9527 0.9586 0.9586 1.2098 1.2098 1.2174 1.2174 1.2642 1.2642 1.2644 1.2644 1.3374 1.3374 1.3614 1.3614 1.4178 1.4178 1.4268 1.4268 1.4836 1.4836 1.4899 1.4899 1.6295 1.6295 1.6428 1.6428 1.8514 1.8514 1.8563 1.8563 1.9364 1.9364 1.9616 1.9616 2.0134 2.0134 2.0544 2.0544 2.0710 2.0710 2.0932 2.0932 2.1313 2.1313 2.1435 2.1435 2.2139 2.2139 2.2679 2.2679 2.2857 2.2857 2.3395 2.3395 2.4272 2.4272 2.4383 2.4383 2.6640 2.6640 2.7088 2.7088 3.7497 3.7497 3.7724 3.7724 4.8804 4.8804 4.8844 4.8844 5.8361 5.8361 5.8403 5.8403 6.7634 6.7634 6.7724 6.7724 7.9492 7.9492 7.9594 7.9594 9.2720 9.2720 9.3121 9.3121 k = 0.1757 0.5000 0.1757 ( 8146 PWs) bands (ev): -4.4284 -4.4284 -4.4284 -4.4284 0.9361 0.9361 0.9414 0.9414 1.2030 1.2030 1.2103 1.2103 1.2607 1.2607 1.2608 1.2608 1.3332 1.3332 1.3567 1.3567 1.4212 1.4212 1.4300 1.4300 1.4838 1.4838 1.4894 1.4894 1.6267 1.6267 1.6432 1.6432 1.8539 1.8539 1.8575 1.8575 1.9453 1.9453 1.9601 1.9601 2.0172 2.0172 2.0563 2.0563 2.0711 2.0711 2.0957 2.0957 2.1326 2.1326 2.1482 2.1482 2.2147 2.2147 2.2708 2.2708 2.2957 2.2957 2.3436 2.3436 2.4386 2.4386 2.4512 2.4512 2.6678 2.6678 2.7106 2.7106 3.8026 3.8026 3.8238 3.8238 4.8762 4.8762 4.8799 4.8799 5.8631 5.8631 5.8690 5.8690 6.6818 6.6818 6.6925 6.6925 7.9788 7.9788 7.9890 7.9890 9.2025 9.2025 9.2426 9.2426 k = 0.1622 0.5000 0.1622 ( 8144 PWs) bands (ev): -4.4306 -4.4306 -4.4305 -4.4305 0.9207 0.9207 0.9255 0.9255 1.1966 1.1966 1.2035 1.2035 1.2572 1.2572 1.2574 1.2574 1.3297 1.3297 1.3522 1.3522 1.4246 1.4246 1.4334 1.4334 1.4841 1.4841 1.4887 1.4887 1.6242 1.6242 1.6440 1.6440 1.8569 1.8569 1.8589 1.8589 1.9534 1.9534 1.9580 1.9580 2.0204 2.0204 2.0582 2.0582 2.0706 2.0706 2.0979 2.0979 2.1346 2.1346 2.1527 2.1527 2.2158 2.2158 2.2733 2.2733 2.3054 2.3054 2.3476 2.3476 2.4496 2.4496 2.4634 2.4634 2.6723 2.6723 2.7127 2.7127 3.8557 3.8557 3.8755 3.8755 4.8597 4.8597 4.8631 4.8631 5.9036 5.9036 5.9117 5.9117 6.5991 6.5991 6.6120 6.6120 8.0128 8.0128 8.0231 8.0231 9.1395 9.1395 9.1798 9.1798 k = 0.1486 0.5000 0.1486 ( 8148 PWs) bands (ev): -4.4326 -4.4326 -4.4326 -4.4326 0.9065 0.9065 0.9107 0.9107 1.1907 1.1907 1.1972 1.1972 1.2537 1.2537 1.2541 1.2541 1.3267 1.3267 1.3479 1.3479 1.4281 1.4281 1.4370 1.4370 1.4843 1.4843 1.4878 1.4878 1.6219 1.6219 1.6450 1.6450 1.8604 1.8604 1.8607 1.8607 1.9554 1.9554 1.9606 1.9606 2.0226 2.0226 2.0600 2.0600 2.0695 2.0695 2.0997 2.0997 2.1371 2.1371 2.1567 2.1567 2.2174 2.2174 2.2752 2.2752 2.3146 2.3146 2.3516 2.3516 2.4601 2.4601 2.4746 2.4746 2.6776 2.6776 2.7149 2.7149 3.9082 3.9082 3.9267 3.9267 4.8357 4.8357 4.8386 4.8386 5.9524 5.9524 5.9633 5.9633 6.5161 6.5161 6.5318 6.5318 8.0516 8.0516 8.0621 8.0621 9.0828 9.0828 9.1234 9.1234 k = 0.1351 0.5000 0.1351 ( 8156 PWs) bands (ev): -4.4346 -4.4346 -4.4346 -4.4346 0.8935 0.8935 0.8973 0.8973 1.1853 1.1853 1.1914 1.1914 1.2502 1.2502 1.2509 1.2509 1.3242 1.3242 1.3438 1.3438 1.4316 1.4316 1.4407 1.4407 1.4845 1.4845 1.4867 1.4867 1.6201 1.6201 1.6461 1.6461 1.8627 1.8627 1.8647 1.8647 1.9522 1.9522 1.9669 1.9669 2.0240 2.0240 2.0620 2.0620 2.0680 2.0680 2.1012 2.1012 2.1400 2.1400 2.1603 2.1603 2.2195 2.2195 2.2766 2.2766 2.3232 2.3232 2.3555 2.3555 2.4701 2.4701 2.4848 2.4848 2.6833 2.6833 2.7172 2.7172 3.9595 3.9595 3.9765 3.9765 4.8083 4.8083 4.8106 4.8106 6.0045 6.0045 6.0196 6.0196 6.4336 6.4336 6.4533 6.4533 8.0954 8.0954 8.1064 8.1064 9.0321 9.0321 9.0733 9.0733 k = 0.1216 0.5000 0.1216 ( 8152 PWs) bands (ev): -4.4364 -4.4364 -4.4364 -4.4364 0.8817 0.8817 0.8851 0.8851 1.1804 1.1804 1.1861 1.1861 1.2470 1.2470 1.2479 1.2479 1.3223 1.3223 1.3401 1.3401 1.4353 1.4353 1.4444 1.4444 1.4847 1.4847 1.4855 1.4855 1.6187 1.6187 1.6469 1.6469 1.8650 1.8650 1.8697 1.8697 1.9485 1.9485 1.9722 1.9722 2.0246 2.0246 2.0642 2.0642 2.0661 2.0661 2.1022 2.1022 2.1434 2.1434 2.1632 2.1632 2.2221 2.2221 2.2773 2.2773 2.3313 2.3313 2.3593 2.3593 2.4795 2.4795 2.4942 2.4942 2.6893 2.6893 2.7197 2.7197 4.0083 4.0083 4.0240 4.0240 4.7810 4.7810 4.7826 4.7826 6.0545 6.0545 6.0768 6.0768 6.3526 6.3526 6.3793 6.3793 8.1444 8.1444 8.1560 8.1560 8.9873 8.9873 9.0295 9.0295 k = 0.1081 0.5000 0.1081 ( 8160 PWs) bands (ev): -4.4381 -4.4381 -4.4380 -4.4380 0.8712 0.8712 0.8742 0.8742 1.1760 1.1760 1.1812 1.1812 1.2439 1.2439 1.2450 1.2450 1.3208 1.3208 1.3367 1.3367 1.4390 1.4390 1.4481 1.4481 1.4842 1.4842 1.4846 1.4846 1.6178 1.6178 1.6473 1.6473 1.8676 1.8676 1.8755 1.8755 1.9444 1.9444 1.9763 1.9763 2.0244 2.0244 2.0639 2.0639 2.0667 2.0667 2.1028 2.1028 2.1469 2.1469 2.1656 2.1656 2.2253 2.2253 2.2774 2.2774 2.3387 2.3387 2.3629 2.3629 2.4883 2.4883 2.5024 2.5024 2.6954 2.6954 2.7221 2.7221 4.0535 4.0535 4.0679 4.0679 4.7565 4.7565 4.7575 4.7575 6.0947 6.0947 6.1312 6.1312 6.2750 6.2750 6.3156 6.3156 8.1985 8.1985 8.2112 8.2112 8.9482 8.9482 8.9918 8.9918 k = 0.0946 0.5000 0.0946 ( 8152 PWs) bands (ev): -4.4396 -4.4396 -4.4396 -4.4396 0.8620 0.8620 0.8646 0.8646 1.1722 1.1722 1.1768 1.1768 1.2411 1.2411 1.2423 1.2423 1.3197 1.3197 1.3335 1.3335 1.4428 1.4428 1.4517 1.4517 1.4829 1.4829 1.4842 1.4842 1.6176 1.6176 1.6472 1.6472 1.8705 1.8705 1.8820 1.8820 1.9401 1.9401 1.9788 1.9788 2.0240 2.0240 2.0613 2.0613 2.0695 2.0695 2.1030 2.1030 2.1504 2.1504 2.1673 2.1673 2.2290 2.2290 2.2769 2.2769 2.3456 2.3456 2.3663 2.3663 2.4964 2.4964 2.5097 2.5097 2.7016 2.7016 2.7244 2.7244 4.0939 4.0939 4.1068 4.1068 4.7370 4.7370 4.7376 4.7376 6.1089 6.1089 6.1677 6.1677 6.2151 6.2151 6.2776 6.2776 8.2573 8.2573 8.2715 8.2715 8.9147 8.9147 8.9603 8.9603 k = 0.0811 0.5000 0.0811 ( 8152 PWs) bands (ev): -4.4409 -4.4409 -4.4409 -4.4409 0.8540 0.8540 0.8561 0.8561 1.1690 1.1690 1.1730 1.1730 1.2386 1.2386 1.2399 1.2399 1.3189 1.3189 1.3307 1.3307 1.4467 1.4467 1.4551 1.4551 1.4816 1.4816 1.4835 1.4835 1.6180 1.6180 1.6466 1.6466 1.8738 1.8738 1.8891 1.8891 1.9355 1.9355 1.9794 1.9794 2.0239 2.0239 2.0585 2.0585 2.0726 2.0726 2.1027 2.1027 2.1538 2.1538 2.1685 2.1685 2.2330 2.2330 2.2758 2.2758 2.3517 2.3517 2.3692 2.3692 2.5038 2.5038 2.5159 2.5159 2.7075 2.7075 2.7267 2.7267 4.1283 4.1283 4.1396 4.1396 4.7239 4.7239 4.7241 4.7241 6.0827 6.0827 6.1184 6.1184 6.2404 6.2404 6.2795 6.2795 8.3201 8.3201 8.3363 8.3363 8.8868 8.8868 8.9352 8.9352 k = 0.0676 0.5000 0.0676 ( 8146 PWs) bands (ev): -4.4421 -4.4421 -4.4420 -4.4420 0.8472 0.8472 0.8490 0.8490 1.1663 1.1663 1.1697 1.1697 1.2365 1.2365 1.2377 1.2377 1.3184 1.3184 1.3282 1.3282 1.4506 1.4506 1.4583 1.4583 1.4802 1.4802 1.4825 1.4825 1.6190 1.6190 1.6453 1.6453 1.8774 1.8774 1.8965 1.8965 1.9311 1.9311 1.9779 1.9779 2.0246 2.0246 2.0555 2.0555 2.0759 2.0759 2.1020 2.1020 2.1570 2.1570 2.1693 2.1693 2.2373 2.2373 2.2742 2.2742 2.3572 2.3572 2.3717 2.3717 2.5104 2.5104 2.5210 2.5210 2.7130 2.7130 2.7286 2.7286 4.1558 4.1558 4.1654 4.1654 4.7176 4.7176 4.7176 4.7176 6.0352 6.0352 6.0550 6.0550 6.2800 6.2800 6.3026 6.3026 8.3855 8.3855 8.4042 8.4042 8.8648 8.8648 8.9171 8.9171 k = 0.0541 0.5000 0.0541 ( 8140 PWs) bands (ev): -4.4430 -4.4430 -4.4430 -4.4430 0.8418 0.8418 0.8432 0.8432 1.1641 1.1641 1.1669 1.1669 1.2347 1.2347 1.2358 1.2358 1.3182 1.3182 1.3260 1.3260 1.4545 1.4545 1.4612 1.4612 1.4789 1.4789 1.4811 1.4811 1.6207 1.6207 1.6434 1.6434 1.8813 1.8813 1.9035 1.9035 1.9275 1.9275 1.9744 1.9744 2.0262 2.0262 2.0523 2.0523 2.0793 2.0793 2.1008 2.1008 2.1598 2.1598 2.1696 2.1696 2.2417 2.2417 2.2720 2.2720 2.3620 2.3620 2.3735 2.3735 2.5161 2.5161 2.5249 2.5249 2.7180 2.7180 2.7302 2.7302 4.1764 4.1764 4.1841 4.1841 4.7173 4.7173 4.7174 4.7174 5.9857 5.9857 5.9978 5.9978 6.3143 6.3143 6.3287 6.3287 8.4512 8.4512 8.4730 8.4730 8.8498 8.8498 8.9070 8.9070 k = 0.0405 0.5000 0.0405 ( 8144 PWs) bands (ev): -4.4438 -4.4438 -4.4438 -4.4438 0.8376 0.8376 0.8386 0.8386 1.1625 1.1625 1.1646 1.1646 1.2334 1.2334 1.2343 1.2343 1.3183 1.3183 1.3240 1.3240 1.4583 1.4583 1.4638 1.4638 1.4775 1.4775 1.4793 1.4793 1.6229 1.6229 1.6410 1.6410 1.8855 1.8855 1.9079 1.9079 1.9267 1.9267 1.9690 1.9690 2.0286 2.0286 2.0489 2.0489 2.0828 2.0828 2.0992 2.0992 2.1623 2.1623 2.1696 2.1696 2.2462 2.2462 2.2693 2.2693 2.3660 2.3660 2.3747 2.3747 2.5209 2.5209 2.5277 2.5277 2.7224 2.7224 2.7313 2.7313 4.1907 4.1907 4.1965 4.1965 4.7215 4.7215 4.7215 4.7215 5.9423 5.9423 5.9500 5.9500 6.3417 6.3417 6.3511 6.3511 8.5137 8.5137 8.5382 8.5382 8.8441 8.8441 8.9066 8.9066 k = 0.0270 0.5000 0.0270 ( 8140 PWs) bands (ev): -4.4443 -4.4443 -4.4443 -4.4443 0.8346 0.8346 0.8353 0.8353 1.1615 1.1615 1.1629 1.1629 1.2325 1.2325 1.2331 1.2331 1.3186 1.3186 1.3224 1.3224 1.4619 1.4619 1.4660 1.4660 1.4761 1.4761 1.4772 1.4772 1.6256 1.6256 1.6381 1.6381 1.8900 1.8900 1.9074 1.9074 1.9310 1.9310 1.9623 1.9623 2.0316 2.0316 2.0454 2.0454 2.0861 2.0861 2.0973 2.0973 2.1644 2.1644 2.1693 2.1693 2.2506 2.2506 2.2663 2.2663 2.3694 2.3694 2.3752 2.3752 2.5247 2.5247 2.5294 2.5294 2.7260 2.7260 2.7318 2.7318 4.1998 4.1998 4.2037 4.2037 4.7273 4.7273 4.7273 4.7273 5.9090 5.9090 5.9136 5.9136 6.3619 6.3619 6.3676 6.3676 8.5679 8.5679 8.5918 8.5918 8.8530 8.8530 8.9181 8.9181 k = 0.0135 0.5000 0.0135 ( 8152 PWs) bands (ev): -4.4446 -4.4446 -4.4446 -4.4446 0.8329 0.8329 0.8332 0.8332 1.1610 1.1610 1.1617 1.1617 1.2320 1.2320 1.2323 1.2323 1.3191 1.3191 1.3210 1.3210 1.4650 1.4650 1.4673 1.4673 1.4749 1.4749 1.4753 1.4753 1.6286 1.6286 1.6350 1.6350 1.8946 1.8946 1.9038 1.9038 1.9384 1.9384 1.9547 1.9547 2.0348 2.0348 2.0419 2.0419 2.0892 2.0892 2.0949 2.0949 2.1662 2.1662 2.1686 2.1686 2.2549 2.2549 2.2628 2.2628 2.3719 2.3719 2.3749 2.3749 2.5275 2.5275 2.5299 2.5299 2.7287 2.7287 2.7316 2.7316 4.2051 4.2051 4.2070 4.2070 4.7321 4.7321 4.7321 4.7321 5.8883 5.8883 5.8904 5.8904 6.3745 6.3745 6.3773 6.3773 8.6078 8.6078 8.6234 8.6234 8.8825 8.8825 8.9392 8.9392 k = 0.0000 0.5000-0.0000 ( 8136 PWs) bands (ev): -4.4447 -4.4447 -4.4447 -4.4447 0.8324 0.8324 0.8324 0.8324 1.1611 1.1611 1.1611 1.1611 1.2319 1.2319 1.2319 1.2319 1.3200 1.3200 1.3200 1.3200 1.4672 1.4672 1.4672 1.4672 1.4744 1.4744 1.4744 1.4744 1.6318 1.6318 1.6318 1.6318 1.8993 1.8993 1.8993 1.8993 1.9466 1.9466 1.9466 1.9466 2.0383 2.0383 2.0383 2.0383 2.0922 2.0922 2.0922 2.0922 2.1676 2.1676 2.1676 2.1676 2.2590 2.2590 2.2590 2.2590 2.3738 2.3738 2.3738 2.3738 2.5292 2.5292 2.5292 2.5292 2.7306 2.7306 2.7306 2.7306 4.2074 4.2074 4.2074 4.2074 4.7340 4.7340 4.7340 4.7340 5.8819 5.8819 5.8819 5.8819 6.3796 6.3796 6.3796 6.3796 8.6279 8.6279 8.6279 8.6279 8.9278 8.9278 8.9278 8.9278 k = 0.5000 0.5000-0.0000 ( 8116 PWs) bands (ev): -4.4140 -4.4140 -4.4140 -4.4140 0.8319 0.8319 1.1483 1.1483 1.2197 1.2197 1.2899 1.2899 1.3133 1.3133 1.3424 1.3424 1.3842 1.3842 1.3992 1.3992 1.4072 1.4072 1.4425 1.4425 1.4817 1.4817 1.5351 1.5351 1.6204 1.6204 1.7125 1.7125 1.7989 1.7989 1.8249 1.8249 1.8655 1.8655 1.8787 1.8787 2.0004 2.0004 2.0200 2.0200 2.0606 2.0606 2.0909 2.0909 2.1007 2.1007 2.1014 2.1014 2.1675 2.1675 2.1768 2.1768 2.1839 2.1839 2.3305 2.3305 2.3553 2.3553 2.4150 2.4150 2.5248 2.5248 2.5889 2.5889 4.5423 4.5423 4.6152 4.6152 4.6184 4.6184 4.6257 4.6257 4.6832 4.6832 5.0049 5.0049 7.8255 7.8255 7.8562 7.8562 8.0125 8.0125 8.0356 8.0356 8.2595 8.2595 9.1514 9.1514 k = 0.5000 0.5000 0.0192 ( 8128 PWs) bands (ev): -4.4139 -4.4139 -4.4139 -4.4139 0.8332 0.8332 1.1490 1.1490 1.2201 1.2201 1.2901 1.2901 1.3133 1.3133 1.3426 1.3426 1.3839 1.3839 1.3996 1.3996 1.4073 1.4073 1.4423 1.4423 1.4818 1.4818 1.5347 1.5347 1.6208 1.6208 1.7128 1.7128 1.7984 1.7984 1.8247 1.8247 1.8660 1.8660 1.8782 1.8782 2.0007 2.0007 2.0198 2.0198 2.0592 2.0592 2.0917 2.0917 2.1009 2.1009 2.1013 2.1013 2.1664 2.1664 2.1769 2.1769 2.1843 2.1843 2.3296 2.3296 2.3551 2.3551 2.4169 2.4169 2.5237 2.5237 2.5889 2.5889 4.5010 4.5010 4.5136 4.5136 4.5871 4.5871 4.7303 4.7303 4.7545 4.7545 4.9987 4.9987 7.8141 7.8141 7.8518 7.8518 8.0126 8.0126 8.0380 8.0380 8.2782 8.2782 9.1631 9.1631 k = 0.5000 0.5000 0.0385 ( 8152 PWs) bands (ev): -4.4137 -4.4137 -4.4136 -4.4136 0.8375 0.8375 1.1511 1.1511 1.2216 1.2216 1.2905 1.2905 1.3134 1.3134 1.3435 1.3435 1.3833 1.3833 1.4008 1.4008 1.4076 1.4076 1.4419 1.4419 1.4823 1.4823 1.5336 1.5336 1.6219 1.6219 1.7139 1.7139 1.7970 1.7970 1.8244 1.8244 1.8675 1.8675 1.8767 1.8767 2.0015 2.0015 2.0191 2.0191 2.0555 2.0555 2.0933 2.0933 2.1012 2.1012 2.1017 2.1017 2.1634 2.1634 2.1771 2.1771 2.1851 2.1851 2.3272 2.3272 2.3544 2.3544 2.4226 2.4226 2.5207 2.5207 2.5888 2.5888 4.4100 4.4100 4.4128 4.4128 4.5667 4.5667 4.8420 4.8420 4.8600 4.8600 4.9808 4.9808 7.7861 7.7861 7.8396 7.8396 8.0129 8.0129 8.0419 8.0419 8.3310 8.3310 9.1975 9.1975 k = 0.5000 0.5000 0.0577 ( 8152 PWs) bands (ev): -4.4132 -4.4132 -4.4131 -4.4131 0.8447 0.8447 1.1545 1.1545 1.2240 1.2240 1.2913 1.2913 1.3136 1.3136 1.3448 1.3448 1.3825 1.3825 1.4025 1.4025 1.4081 1.4081 1.4412 1.4412 1.4831 1.4831 1.5319 1.5319 1.6237 1.6237 1.7156 1.7156 1.7951 1.7951 1.8238 1.8238 1.8699 1.8699 1.8744 1.8744 2.0027 2.0027 2.0181 2.0181 2.0506 2.0506 2.0938 2.0938 2.1011 2.1011 2.1041 2.1041 2.1595 2.1595 2.1776 2.1776 2.1859 2.1859 2.3237 2.3237 2.3535 2.3535 2.4315 2.4315 2.5156 2.5156 2.5889 2.5889 4.3098 4.3098 4.3183 4.3183 4.5440 4.5440 4.9331 4.9331 4.9721 4.9721 4.9743 4.9743 7.7518 7.7518 7.8211 7.8211 8.0128 8.0128 8.0439 8.0439 8.4106 8.4106 9.2532 9.2532 k = 0.5000 0.5000 0.0769 ( 8160 PWs) bands (ev): -4.4126 -4.4126 -4.4125 -4.4125 0.8547 0.8547 1.1594 1.1594 1.2273 1.2273 1.2923 1.2923 1.3139 1.3139 1.3466 1.3466 1.3816 1.3816 1.4046 1.4046 1.4088 1.4088 1.4403 1.4403 1.4842 1.4842 1.5296 1.5296 1.6263 1.6263 1.7178 1.7178 1.7928 1.7928 1.8228 1.8228 1.8713 1.8713 1.8729 1.8729 2.0041 2.0041 2.0166 2.0166 2.0452 2.0452 2.0929 2.0929 2.1009 2.1009 2.1078 2.1078 2.1548 2.1548 2.1781 2.1781 2.1863 2.1863 2.3194 2.3194 2.3523 2.3523 2.4433 2.4433 2.5084 2.5084 2.5891 2.5891 4.2130 4.2130 4.2250 4.2250 4.5145 4.5145 4.9020 4.9020 5.0815 5.0815 5.0880 5.0880 7.7178 7.7178 7.7988 7.7988 8.0120 8.0120 8.0432 8.0432 8.5102 8.5102 9.3279 9.3279 k = 0.5000 0.5000 0.0962 ( 8152 PWs) bands (ev): -4.4118 -4.4118 -4.4117 -4.4117 0.8674 0.8674 1.1655 1.1655 1.2314 1.2314 1.2936 1.2936 1.3143 1.3143 1.3488 1.3488 1.3809 1.3809 1.4070 1.4070 1.4096 1.4096 1.4392 1.4392 1.4854 1.4854 1.5269 1.5269 1.6295 1.6295 1.7203 1.7203 1.7904 1.7904 1.8215 1.8215 1.8678 1.8678 1.8764 1.8764 2.0052 2.0052 2.0148 2.0148 2.0399 2.0399 2.0911 2.0911 2.1010 2.1010 2.1119 2.1119 2.1498 2.1498 2.1787 2.1787 2.1861 2.1861 2.3146 2.3146 2.3508 2.3508 2.4574 2.4574 2.4993 2.4993 2.5896 2.5896 4.1198 4.1198 4.1344 4.1344 4.4780 4.4780 4.8503 4.8503 5.2019 5.2019 5.2072 5.2072 7.6870 7.6870 7.7745 7.7745 8.0103 8.0103 8.0405 8.0405 8.6251 8.6251 9.4193 9.4193 k = 0.5000 0.5000 0.1154 ( 8136 PWs) bands (ev): -4.4108 -4.4108 -4.4108 -4.4108 0.8829 0.8829 1.1728 1.1728 1.2366 1.2366 1.2953 1.2953 1.3149 1.3149 1.3513 1.3513 1.3804 1.3804 1.4095 1.4095 1.4106 1.4106 1.4380 1.4380 1.4868 1.4868 1.5238 1.5238 1.6333 1.6333 1.7228 1.7228 1.7883 1.7883 1.8200 1.8200 1.8640 1.8640 1.8803 1.8803 2.0056 2.0056 2.0127 2.0127 2.0352 2.0352 2.0888 2.0888 2.1012 2.1012 2.1158 2.1158 2.1445 2.1445 2.1793 2.1793 2.1852 2.1852 2.3095 2.3095 2.3492 2.3492 2.4736 2.4736 2.4883 2.4883 2.5905 2.5905 4.0303 4.0303 4.0471 4.0471 4.4349 4.4349 4.7891 4.7891 5.3254 5.3254 5.3291 5.3291 7.6607 7.6607 7.7500 7.7500 8.0076 8.0076 8.0362 8.0362 8.7525 8.7525 9.5252 9.5252 k = 0.5000 0.5000 0.1346 ( 8160 PWs) bands (ev): -4.4098 -4.4098 -4.4097 -4.4097 0.9009 0.9009 1.1811 1.1811 1.2426 1.2426 1.2972 1.2972 1.3156 1.3156 1.3540 1.3540 1.3801 1.3801 1.4116 1.4116 1.4120 1.4120 1.4367 1.4367 1.4882 1.4882 1.5204 1.5204 1.6375 1.6375 1.7251 1.7251 1.7867 1.7867 1.8183 1.8183 1.8601 1.8601 1.8842 1.8842 2.0046 2.0046 2.0102 2.0102 2.0317 2.0317 2.0861 2.0861 2.1017 2.1017 2.1194 2.1194 2.1390 2.1390 2.1797 2.1797 2.1837 2.1837 2.3041 2.3041 2.3474 2.3474 2.4754 2.4754 2.4916 2.4916 2.5920 2.5920 3.9445 3.9445 3.9632 3.9632 4.3856 4.3856 4.7202 4.7202 5.4514 5.4514 5.4537 5.4537 7.6390 7.6390 7.7266 7.7266 8.0039 8.0039 8.0305 8.0305 8.8903 8.8903 9.6438 9.6438 k = 0.5000 0.5000 0.1538 ( 8152 PWs) bands (ev): -4.4085 -4.4085 -4.4085 -4.4085 0.9217 0.9217 1.1905 1.1905 1.2494 1.2494 1.2994 1.2994 1.3164 1.3164 1.3568 1.3568 1.3803 1.3803 1.4127 1.4127 1.4145 1.4145 1.4353 1.4353 1.4895 1.4895 1.5168 1.5168 1.6423 1.6423 1.7269 1.7269 1.7859 1.7859 1.8165 1.8165 1.8564 1.8564 1.8881 1.8881 2.0017 2.0017 2.0076 2.0076 2.0298 2.0298 2.0831 2.0831 2.1023 2.1023 2.1226 2.1226 2.1336 2.1336 2.1798 2.1798 2.1817 2.1817 2.2985 2.2985 2.3455 2.3455 2.4606 2.4606 2.5113 2.5113 2.5944 2.5944 3.8627 3.8627 3.8830 3.8830 4.3309 4.3309 4.6449 4.6449 5.5797 5.5797 5.5806 5.5806 7.6219 7.6219 7.7050 7.7050 7.9993 7.9993 8.0236 8.0236 9.0371 9.0371 9.7733 9.7733 k = 0.5000 0.5000 0.1731 ( 8152 PWs) bands (ev): -4.4072 -4.4072 -4.4072 -4.4072 0.9448 0.9448 1.2008 1.2008 1.2570 1.2570 1.3019 1.3019 1.3175 1.3175 1.3594 1.3594 1.3810 1.3810 1.4138 1.4138 1.4169 1.4169 1.4340 1.4340 1.4908 1.4908 1.5133 1.5133 1.6474 1.6474 1.7281 1.7281 1.7859 1.7859 1.8146 1.8146 1.8531 1.8531 1.8920 1.8920 1.9971 1.9971 2.0047 2.0047 2.0290 2.0290 2.0799 2.0799 2.1033 2.1033 2.1251 2.1251 2.1284 2.1284 2.1792 2.1792 2.1796 2.1796 2.2926 2.2926 2.3436 2.3436 2.4439 2.4439 2.5327 2.5327 2.5981 2.5981 3.7849 3.7849 3.8066 3.8066 4.2715 4.2715 4.5644 4.5644 5.7096 5.7096 5.7100 5.7100 7.6091 7.6091 7.6860 7.6860 7.9937 7.9937 8.0157 8.0157 9.1916 9.1916 9.8804 9.8804 k = 0.5000 0.5000 0.1923 ( 8144 PWs) bands (ev): -4.4058 -4.4058 -4.4058 -4.4058 0.9702 0.9702 1.2117 1.2117 1.2653 1.2653 1.3047 1.3047 1.3188 1.3188 1.3618 1.3618 1.3822 1.3822 1.4148 1.4148 1.4191 1.4191 1.4329 1.4329 1.4918 1.4918 1.5098 1.5098 1.6529 1.6529 1.7287 1.7287 1.7867 1.7867 1.8130 1.8130 1.8503 1.8503 1.8956 1.8956 1.9916 1.9916 2.0017 2.0017 2.0286 2.0286 2.0768 2.0768 2.1043 2.1043 2.1236 2.1236 2.1269 2.1269 2.1764 2.1764 2.1791 2.1791 2.2865 2.2865 2.3416 2.3416 2.4255 2.4255 2.5556 2.5556 2.6034 2.6034 3.7113 3.7113 3.7340 3.7340 4.2081 4.2081 4.4800 4.4800 5.8407 5.8407 5.8421 5.8421 7.6000 7.6000 7.6699 7.6699 7.9872 7.9872 8.0068 8.0068 9.3522 9.3522 9.8641 9.8641 k = 0.5000 0.5000 0.2115 ( 8152 PWs) bands (ev): -4.4044 -4.4044 -4.4043 -4.4043 0.9978 0.9978 1.2233 1.2233 1.2743 1.2743 1.3077 1.3077 1.3204 1.3204 1.3637 1.3637 1.3838 1.3838 1.4155 1.4155 1.4211 1.4211 1.4319 1.4319 1.4925 1.4925 1.5065 1.5065 1.6586 1.6586 1.7286 1.7286 1.7881 1.7881 1.8116 1.8116 1.8482 1.8482 1.8988 1.8988 1.9856 1.9856 1.9987 1.9987 2.0278 2.0278 2.0737 2.0737 2.1051 2.1051 2.1197 2.1197 2.1281 2.1281 2.1735 2.1735 2.1781 2.1781 2.2800 2.2800 2.3393 2.3393 2.4054 2.4054 2.5800 2.5800 2.6107 2.6107 3.6418 3.6418 3.6653 3.6653 4.1415 4.1415 4.3926 4.3926 5.9734 5.9734 5.9760 5.9760 7.5945 7.5945 7.6567 7.6567 7.9799 7.9799 7.9970 7.9970 9.5154 9.5154 9.8439 9.8439 k = 0.5000 0.5000 0.2308 ( 8148 PWs) bands (ev): -4.4028 -4.4028 -4.4028 -4.4028 1.0273 1.0273 1.2352 1.2352 1.2839 1.2839 1.3111 1.3111 1.3222 1.3222 1.3653 1.3653 1.3859 1.3859 1.4158 1.4158 1.4227 1.4227 1.4313 1.4313 1.4930 1.4930 1.5036 1.5036 1.6645 1.6645 1.7281 1.7281 1.7898 1.7898 1.8109 1.8109 1.8468 1.8468 1.9017 1.9017 1.9795 1.9795 1.9957 1.9957 2.0260 2.0260 2.0709 2.0709 2.1046 2.1046 2.1175 2.1175 2.1285 2.1285 2.1706 2.1706 2.1769 2.1769 2.2733 2.2733 2.3367 2.3367 2.3838 2.3838 2.6059 2.6059 2.6204 2.6204 3.5766 3.5766 3.6007 3.6007 4.0725 4.0725 4.3031 4.3031 6.1077 6.1077 6.1112 6.1112 7.5919 7.5919 7.6465 7.6465 7.9717 7.9717 7.9865 7.9865 9.6630 9.6630 9.8361 9.8361 k = 0.5000 0.5000 0.2500 ( 8140 PWs) bands (ev): -4.4013 -4.4013 -4.4012 -4.4012 1.0586 1.0586 1.2474 1.2474 1.2941 1.2941 1.3147 1.3147 1.3243 1.3243 1.3666 1.3666 1.3881 1.3881 1.4156 1.4156 1.4239 1.4239 1.4311 1.4311 1.4931 1.4931 1.5011 1.5011 1.6707 1.6707 1.7273 1.7273 1.7916 1.7916 1.8109 1.8109 1.8462 1.8462 1.9040 1.9040 1.9735 1.9735 1.9928 1.9928 2.0230 2.0230 2.0684 2.0684 2.1023 2.1023 2.1178 2.1178 2.1282 2.1282 2.1680 2.1680 2.1754 2.1754 2.2664 2.2664 2.3335 2.3335 2.3609 2.3609 2.6329 2.6329 2.6332 2.6332 3.5158 3.5158 3.5401 3.5401 4.0016 4.0016 4.2124 4.2124 6.2433 6.2433 6.2476 6.2476 7.5921 7.5921 7.6392 7.6392 7.9628 7.9628 7.9752 7.9752 9.7070 9.7070 9.8095 9.8095 k = 0.5000 0.5000 0.2692 ( 8160 PWs) bands (ev): -4.3997 -4.3997 -4.3997 -4.3997 1.0913 1.0913 1.2596 1.2596 1.3046 1.3046 1.3185 1.3185 1.3266 1.3266 1.3676 1.3676 1.3902 1.3902 1.4149 1.4149 1.4244 1.4244 1.4313 1.4313 1.4928 1.4928 1.4991 1.4991 1.6770 1.6770 1.7263 1.7263 1.7930 1.7930 1.8119 1.8119 1.8463 1.8463 1.9056 1.9056 1.9676 1.9676 1.9900 1.9900 2.0183 2.0183 2.0662 2.0662 2.0987 2.0987 2.1199 2.1199 2.1274 2.1274 2.1659 2.1659 2.1738 2.1738 2.2592 2.2592 2.3277 2.3277 2.3386 2.3386 2.6485 2.6485 2.6619 2.6619 3.4595 3.4595 3.4836 3.4836 3.9296 3.9296 4.1211 4.1211 6.3798 6.3798 6.3848 6.3848 7.5946 7.5946 7.6347 7.6347 7.9531 7.9531 7.9632 7.9632 9.6660 9.6660 9.7398 9.7398 k = 0.5000 0.5000 0.2885 ( 8168 PWs) bands (ev): -4.3982 -4.3982 -4.3982 -4.3982 1.1250 1.1250 1.2718 1.2718 1.3154 1.3154 1.3226 1.3226 1.3292 1.3292 1.3684 1.3684 1.3921 1.3921 1.4137 1.4137 1.4243 1.4243 1.4316 1.4316 1.4923 1.4923 1.4979 1.4979 1.6835 1.6835 1.7255 1.7255 1.7942 1.7942 1.8139 1.8139 1.8471 1.8471 1.9066 1.9066 1.9622 1.9622 1.9874 1.9874 2.0119 2.0119 2.0642 2.0642 2.0947 2.0947 2.1229 2.1229 2.1261 2.1261 2.1645 2.1645 2.1723 2.1723 2.2519 2.2519 2.3082 2.3082 2.3282 2.3282 2.6677 2.6677 2.6921 2.6921 3.4077 3.4077 3.4313 3.4313 3.8571 3.8571 4.0298 4.0298 6.5169 6.5169 6.5226 6.5226 7.5992 7.5992 7.6329 7.6329 7.9428 7.9428 7.9508 7.9508 9.6019 9.6019 9.6599 9.6599 k = 0.5000 0.5000 0.3077 ( 8160 PWs) bands (ev): -4.3967 -4.3967 -4.3967 -4.3967 1.1596 1.1596 1.2837 1.2837 1.3263 1.3263 1.3270 1.3270 1.3321 1.3321 1.3693 1.3693 1.3937 1.3937 1.4122 1.4122 1.4235 1.4235 1.4319 1.4319 1.4919 1.4919 1.4972 1.4972 1.6902 1.6902 1.7249 1.7249 1.7951 1.7951 1.8167 1.8167 1.8483 1.8483 1.9070 1.9070 1.9572 1.9572 1.9849 1.9849 2.0038 2.0038 2.0619 2.0619 2.0908 2.0908 2.1245 2.1245 2.1265 2.1265 2.1639 2.1639 2.1708 2.1708 2.2444 2.2444 2.2824 2.2824 2.3226 2.3226 2.6906 2.6906 2.7239 2.7239 3.3605 3.3605 3.3833 3.3833 3.7847 3.7847 3.9391 3.9391 6.6542 6.6542 6.6604 6.6604 7.6057 7.6057 7.6336 7.6336 7.9320 7.9320 7.9379 7.9379 9.5245 9.5245 9.5707 9.5707 k = 0.5000 0.5000 0.3269 ( 8140 PWs) bands (ev): -4.3953 -4.3953 -4.3953 -4.3953 1.1944 1.1944 1.2952 1.2952 1.3315 1.3315 1.3349 1.3349 1.3377 1.3377 1.3701 1.3701 1.3950 1.3950 1.4105 1.4105 1.4219 1.4219 1.4318 1.4318 1.4916 1.4916 1.4972 1.4972 1.6971 1.6971 1.7246 1.7246 1.7962 1.7962 1.8201 1.8201 1.8497 1.8497 1.9069 1.9069 1.9529 1.9529 1.9824 1.9824 1.9942 1.9942 2.0590 2.0590 2.0872 2.0872 2.1229 2.1229 2.1305 2.1305 2.1643 2.1643 2.1694 2.1694 2.2370 2.2370 2.2559 2.2559 2.3167 2.3167 2.7174 2.7174 2.7572 2.7572 3.3178 3.3178 3.3395 3.3395 3.7127 3.7127 3.8494 3.8494 6.7910 6.7910 6.7977 6.7977 7.6140 7.6140 7.6366 7.6366 7.9208 7.9208 7.9248 7.9248 9.4367 9.4367 9.4736 9.4736 k = 0.5000 0.5000 0.3462 ( 8164 PWs) bands (ev): -4.3940 -4.3940 -4.3939 -4.3939 1.2287 1.2287 1.3061 1.3061 1.3363 1.3363 1.3384 1.3384 1.3483 1.3483 1.3708 1.3708 1.3957 1.3957 1.4087 1.4087 1.4197 1.4197 1.4309 1.4309 1.4916 1.4916 1.4977 1.4977 1.7042 1.7042 1.7249 1.7249 1.7976 1.7976 1.8238 1.8238 1.8511 1.8511 1.9067 1.9067 1.9493 1.9493 1.9796 1.9796 1.9829 1.9829 2.0550 2.0550 2.0841 2.0841 2.1212 2.1212 2.1345 2.1345 2.1657 2.1657 2.1680 2.1680 2.2295 2.2295 2.2297 2.2297 2.3100 2.3100 2.7482 2.7482 2.7921 2.7921 3.2798 3.2798 3.3000 3.3000 3.6418 3.6418 3.7611 3.7611 6.9266 6.9266 6.9336 6.9336 7.6238 7.6238 7.6420 7.6420 7.9092 7.9092 7.9115 7.9115 9.3408 9.3408 9.3701 9.3701 k = 0.5000 0.5000 0.3654 ( 8172 PWs) bands (ev): -4.3927 -4.3927 -4.3927 -4.3927 1.2620 1.2620 1.3165 1.3165 1.3412 1.3412 1.3420 1.3420 1.3587 1.3587 1.3715 1.3715 1.3960 1.3960 1.4068 1.4068 1.4169 1.4169 1.4292 1.4292 1.4922 1.4922 1.4985 1.4985 1.7113 1.7113 1.7260 1.7260 1.7994 1.7994 1.8276 1.8276 1.8523 1.8523 1.9066 1.9066 1.9463 1.9463 1.9703 1.9703 1.9766 1.9766 2.0494 2.0494 2.0817 2.0817 2.1196 2.1196 2.1383 2.1383 2.1668 2.1668 2.1679 2.1679 2.2046 2.2046 2.2228 2.2228 2.3026 2.3026 2.7831 2.7831 2.8288 2.8288 3.2465 3.2465 3.2648 3.2648 3.5723 3.5723 3.6747 3.6747 7.0597 7.0597 7.0671 7.0671 7.6353 7.6353 7.6498 7.6498 7.8975 7.8975 7.8985 7.8985 9.2386 9.2386 9.2619 9.2619 k = 0.5000 0.5000 0.3846 ( 8156 PWs) bands (ev): -4.3916 -4.3916 -4.3916 -4.3916 1.2933 1.2933 1.3261 1.3261 1.3458 1.3458 1.3462 1.3462 1.3685 1.3685 1.3721 1.3721 1.3960 1.3960 1.4049 1.4049 1.4137 1.4137 1.4266 1.4266 1.4936 1.4936 1.4997 1.4997 1.7185 1.7185 1.7280 1.7280 1.8017 1.8017 1.8316 1.8316 1.8532 1.8532 1.9073 1.9073 1.9438 1.9438 1.9567 1.9567 1.9731 1.9731 2.0414 2.0414 2.0803 2.0803 2.1180 2.1180 2.1419 2.1419 2.1656 2.1656 2.1707 2.1707 2.1827 2.1827 2.2170 2.2170 2.2946 2.2946 2.8222 2.8222 2.8672 2.8672 3.2179 3.2179 3.2341 3.2341 3.5045 3.5045 3.5904 3.5904 7.1886 7.1886 7.1962 7.1962 7.6490 7.6490 7.6603 7.6603 7.8858 7.8858 7.8860 7.8860 9.1324 9.1324 9.1508 9.1508 k = 0.5000 0.5000 0.4038 ( 8148 PWs) bands (ev): -4.3907 -4.3907 -4.3907 -4.3907 1.3218 1.3218 1.3348 1.3348 1.3497 1.3497 1.3512 1.3512 1.3725 1.3725 1.3775 1.3775 1.3957 1.3957 1.4031 1.4031 1.4104 1.4104 1.4231 1.4231 1.4956 1.4956 1.5009 1.5009 1.7255 1.7255 1.7311 1.7311 1.8048 1.8048 1.8354 1.8354 1.8536 1.8536 1.9091 1.9091 1.9377 1.9377 1.9461 1.9461 1.9692 1.9692 2.0304 2.0304 2.0799 2.0799 2.1155 2.1155 2.1451 2.1451 2.1644 2.1644 2.1656 2.1656 2.1729 2.1729 2.2131 2.2131 2.2860 2.2860 2.8653 2.8653 2.9076 2.9076 3.1939 3.1939 3.2078 3.2078 3.4386 3.4386 3.5085 3.5085 7.3101 7.3101 7.3178 7.3178 7.6659 7.6659 7.6747 7.6747 7.8738 7.8738 7.8748 7.8748 9.0247 9.0247 9.0392 9.0392 k = 0.5000 0.5000 0.4231 ( 8156 PWs) bands (ev): -4.3899 -4.3899 -4.3898 -4.3898 1.3426 1.3426 1.3463 1.3463 1.3536 1.3536 1.3559 1.3559 1.3725 1.3725 1.3855 1.3855 1.3954 1.3954 1.4013 1.4013 1.4072 1.4072 1.4189 1.4189 1.4980 1.4980 1.5023 1.5023 1.7320 1.7320 1.7352 1.7352 1.8088 1.8088 1.8391 1.8391 1.8535 1.8535 1.9125 1.9125 1.9223 1.9223 1.9443 1.9443 1.9650 1.9650 2.0162 2.0162 2.0805 2.0805 2.1115 2.1115 2.1479 2.1479 2.1547 2.1547 2.1631 2.1631 2.1732 2.1732 2.2125 2.2125 2.2768 2.2768 2.9124 2.9124 2.9499 2.9499 3.1746 3.1746 3.1859 3.1859 3.3751 3.3751 3.4294 3.4294 7.4184 7.4184 7.4259 7.4259 7.6889 7.6889 7.6956 7.6956 7.8630 7.8630 7.8645 7.8645 8.9190 8.9190 8.9303 8.9303 k = 0.5000 0.5000 0.4423 ( 8164 PWs) bands (ev): -4.3892 -4.3892 -4.3892 -4.3892 1.3496 1.3496 1.3573 1.3573 1.3600 1.3600 1.3661 1.3661 1.3719 1.3719 1.3919 1.3919 1.3954 1.3954 1.3996 1.3996 1.4043 1.4043 1.4142 1.4142 1.5005 1.5005 1.5036 1.5036 1.7380 1.7380 1.7399 1.7399 1.8144 1.8144 1.8424 1.8424 1.8530 1.8530 1.9044 1.9044 1.9181 1.9181 1.9445 1.9445 1.9608 1.9608 1.9997 1.9997 2.0819 2.0819 2.1061 2.1061 2.1502 2.1502 2.1505 2.1505 2.1617 2.1617 2.1708 2.1708 2.2156 2.2156 2.2674 2.2674 2.9635 2.9635 2.9942 2.9942 3.1600 3.1600 3.1685 3.1685 3.3139 3.3139 3.3532 3.3532 7.5043 7.5043 7.5106 7.5106 7.7233 7.7233 7.7277 7.7277 7.8538 7.8538 7.8553 7.8553 8.8201 8.8201 8.8287 8.8287 k = 0.5000 0.5000 0.4615 ( 8152 PWs) bands (ev): -4.3888 -4.3888 -4.3887 -4.3887 1.3557 1.3557 1.3608 1.3608 1.3633 1.3633 1.3706 1.3706 1.3805 1.3805 1.3960 1.3960 1.3964 1.3964 1.3984 1.3984 1.4022 1.4022 1.4093 1.4093 1.5028 1.5028 1.5047 1.5047 1.7429 1.7429 1.7443 1.7443 1.8227 1.8227 1.8452 1.8452 1.8521 1.8521 1.8857 1.8857 1.9262 1.9262 1.9456 1.9456 1.9567 1.9567 1.9822 1.9822 2.0841 2.0841 2.1004 2.1004 2.1502 2.1502 2.1528 2.1528 2.1603 2.1603 2.1666 2.1666 2.2218 2.2218 2.2577 2.2577 3.0182 3.0182 3.0404 3.0404 3.1502 3.1502 3.1557 3.1557 3.2555 3.2555 3.2803 3.2803 7.5594 7.5594 7.5635 7.5635 7.7699 7.7699 7.7719 7.7719 7.8466 7.8466 7.8479 7.8479 8.7356 8.7356 8.7415 8.7415 k = 0.5000 0.5000 0.4808 ( 8144 PWs) bands (ev): -4.3885 -4.3885 -4.3885 -4.3885 1.3608 1.3608 1.3635 1.3635 1.3651 1.3651 1.3683 1.3683 1.3896 1.3896 1.3962 1.3962 1.3977 1.3977 1.3999 1.3999 1.4011 1.4011 1.4047 1.4047 1.5045 1.5045 1.5054 1.5054 1.7464 1.7464 1.7473 1.7473 1.8344 1.8344 1.8476 1.8476 1.8510 1.8510 1.8670 1.8670 1.9368 1.9368 1.9474 1.9474 1.9531 1.9531 1.9653 1.9653 2.0871 2.0871 2.0953 2.0953 2.1528 2.1528 2.1549 2.1549 2.1586 2.1586 2.1617 2.1617 2.2297 2.2297 2.2481 2.2481 3.0756 3.0756 3.0874 3.0874 3.1455 3.1455 3.1478 3.1478 3.2004 3.2004 3.2117 3.2117 7.5868 7.5868 7.5886 7.5886 7.8136 7.8136 7.8142 7.8142 7.8417 7.8417 7.8424 7.8424 8.6766 8.6766 8.6798 8.6798 k = 0.5000 0.5000 0.5000 ( 8144 PWs) bands (ev): -4.3884 -4.3884 -4.3884 -4.3884 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3651 1.3941 1.3941 1.3941 1.3941 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.4007 1.5054 1.5054 1.5054 1.5054 1.7480 1.7480 1.7480 1.7480 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.8494 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 1.9499 2.0908 2.0908 2.0908 2.0908 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.1569 2.2386 2.2386 2.2386 2.2386 3.1193 3.1193 3.1193 3.1193 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 3.1548 7.5953 7.5953 7.5953 7.5953 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 7.8359 8.6560 8.6560 8.6560 8.6560 Writing output data file Ag3As.save init_run : 0.22s CPU 0.42s WALL ( 1 calls) electrons : 258.18s CPU 260.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 258.17s CPU 260.96s 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 : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 203 calls) cegterg : 230.75s CPU 232.67s WALL ( 241 calls) Called by sum_band: Called by *egterg: h_psi : 136.86s CPU 138.33s WALL ( 3842 calls) s_psi : 13.14s CPU 13.28s WALL ( 3842 calls) g_psi : 0.44s CPU 0.44s WALL ( 3398 calls) cdiaghg : 65.45s CPU 66.28s WALL ( 3601 calls) cegterg:over : 14.13s CPU 14.06s WALL ( 3398 calls) cegterg:upda : 11.12s CPU 11.19s WALL ( 3398 calls) cegterg:last : 6.75s CPU 6.75s WALL ( 647 calls) cdiaghg:chol : 4.00s CPU 3.98s WALL ( 3601 calls) cdiaghg:inve : 2.84s CPU 2.98s WALL ( 3601 calls) cdiaghg:para : 5.18s CPU 5.25s WALL ( 7202 calls) Called by h_psi: h_psi:vloc : 112.79s CPU 114.04s WALL ( 3842 calls) h_psi:vnl : 23.54s CPU 23.79s WALL ( 3842 calls) add_vuspsi : 12.78s CPU 12.90s WALL ( 3842 calls) General routines calbec : 10.72s CPU 10.88s WALL ( 3842 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 107.57s CPU 108.83s WALL ( 776520 calls) davcio : 0.19s CPU 0.41s WALL ( 406 calls) Parallel routines fft_scatter : 38.65s CPU 38.94s WALL ( 776535 calls) PWSCF : 4m44.01s CPU 5m 4.26s WALL This run was terminated on: 19: 3:28 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=