Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:20 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: ./Zr3Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized 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 62 49 14 2232 1593 244 Max 63 50 15 2237 1608 249 Sum 2241 1789 517 80389 57555 8829 bravais-lattice index = 14 lattice parameter (alat) = 10.6392 a.u. unit-cell volume = 1204.2640 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.639157 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Zr 4.00 91.22400 Zr( 1.00) Sn 14.00 118.71000 Sn( 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= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 Dense grid: 80389 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 57555 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 414, 62) NL pseudopotentials 0.52 Mb ( 207, 164) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2234) G-vector shells 0.00 Mb ( 471) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 414, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) The potential is recalculated from file : ./Zr3Sn.save/charge-density.dat Starting wfc are 144 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.1 secs Computing kpt #: 18 total cpu time spent up to now is 21.1 secs Computing kpt #: 19 total cpu time spent up to now is 22.1 secs Computing kpt #: 20 total cpu time spent up to now is 23.0 secs Computing kpt #: 21 total cpu time spent up to now is 24.0 secs Computing kpt #: 22 total cpu time spent up to now is 25.0 secs Computing kpt #: 23 total cpu time spent up to now is 25.9 secs Computing kpt #: 24 total cpu time spent up to now is 26.9 secs Computing kpt #: 25 total cpu time spent up to now is 27.8 secs Computing kpt #: 26 total cpu time spent up to now is 28.8 secs Computing kpt #: 27 total cpu time spent up to now is 29.7 secs Computing kpt #: 28 total cpu time spent up to now is 30.8 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.0 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.3 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.6 secs Computing kpt #: 34 total cpu time spent up to now is 41.8 secs Computing kpt #: 35 total cpu time spent up to now is 43.2 secs Computing kpt #: 36 total cpu time spent up to now is 44.8 secs Computing kpt #: 37 total cpu time spent up to now is 46.2 secs Computing kpt #: 38 total cpu time spent up to now is 47.6 secs Computing kpt #: 39 total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 50.0 secs Computing kpt #: 41 total cpu time spent up to now is 51.1 secs Computing kpt #: 42 total cpu time spent up to now is 52.3 secs Computing kpt #: 43 total cpu time spent up to now is 53.3 secs Computing kpt #: 44 total cpu time spent up to now is 54.4 secs Computing kpt #: 45 total cpu time spent up to now is 55.6 secs Computing kpt #: 46 total cpu time spent up to now is 56.8 secs Computing kpt #: 47 total cpu time spent up to now is 57.8 secs Computing kpt #: 48 total cpu time spent up to now is 58.9 secs Computing kpt #: 49 total cpu time spent up to now is 60.1 secs Computing kpt #: 50 total cpu time spent up to now is 61.4 secs Computing kpt #: 51 total cpu time spent up to now is 62.9 secs Computing kpt #: 52 total cpu time spent up to now is 64.3 secs Computing kpt #: 53 total cpu time spent up to now is 66.3 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.7 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.2 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.7 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 76.8 secs Computing kpt #: 59 total cpu time spent up to now is 78.3 secs Computing kpt #: 60 total cpu time spent up to now is 79.9 secs Computing kpt #: 61 total cpu time spent up to now is 81.5 secs Computing kpt #: 62 total cpu time spent up to now is 83.7 secs Computing kpt #: 63 total cpu time spent up to now is 85.1 secs Computing kpt #: 64 total cpu time spent up to now is 86.3 secs Computing kpt #: 65 total cpu time spent up to now is 87.4 secs Computing kpt #: 66 total cpu time spent up to now is 88.5 secs Computing kpt #: 67 total cpu time spent up to now is 89.6 secs Computing kpt #: 68 total cpu time spent up to now is 90.7 secs Computing kpt #: 69 total cpu time spent up to now is 91.7 secs Computing kpt #: 70 total cpu time spent up to now is 92.8 secs Computing kpt #: 71 total cpu time spent up to now is 93.8 secs Computing kpt #: 72 total cpu time spent up to now is 94.9 secs Computing kpt #: 73 total cpu time spent up to now is 95.9 secs Computing kpt #: 74 total cpu time spent up to now is 96.9 secs Computing kpt #: 75 total cpu time spent up to now is 97.9 secs Computing kpt #: 76 total cpu time spent up to now is 99.0 secs Computing kpt #: 77 total cpu time spent up to now is 100.0 secs Computing kpt #: 78 total cpu time spent up to now is 101.0 secs Computing kpt #: 79 total cpu time spent up to now is 102.0 secs Computing kpt #: 80 total cpu time spent up to now is 103.0 secs Computing kpt #: 81 total cpu time spent up to now is 104.1 secs Computing kpt #: 82 total cpu time spent up to now is 105.1 secs Computing kpt #: 83 total cpu time spent up to now is 106.2 secs Computing kpt #: 84 total cpu time spent up to now is 107.2 secs Computing kpt #: 85 total cpu time spent up to now is 108.7 secs Computing kpt #: 86 total cpu time spent up to now is 110.3 secs Computing kpt #: 87 total cpu time spent up to now is 111.4 secs Computing kpt #: 88 total cpu time spent up to now is 112.4 secs Computing kpt #: 89 total cpu time spent up to now is 113.4 secs Computing kpt #: 90 total cpu time spent up to now is 114.3 secs Computing kpt #: 91 total cpu time spent up to now is 115.3 secs Computing kpt #: 92 total cpu time spent up to now is 116.1 secs Computing kpt #: 93 total cpu time spent up to now is 117.0 secs Computing kpt #: 94 total cpu time spent up to now is 117.8 secs Computing kpt #: 95 total cpu time spent up to now is 118.6 secs Computing kpt #: 96 total cpu time spent up to now is 119.4 secs Computing kpt #: 97 total cpu time spent up to now is 120.2 secs Computing kpt #: 98 total cpu time spent up to now is 121.1 secs Computing kpt #: 99 total cpu time spent up to now is 121.9 secs Computing kpt #: 100 total cpu time spent up to now is 122.7 secs Computing kpt #: 101 total cpu time spent up to now is 123.5 secs Computing kpt #: 102 total cpu time spent up to now is 124.3 secs Computing kpt #: 103 total cpu time spent up to now is 125.1 secs Computing kpt #: 104 total cpu time spent up to now is 125.9 secs Computing kpt #: 105 total cpu time spent up to now is 126.7 secs Computing kpt #: 106 total cpu time spent up to now is 127.6 secs Computing kpt #: 107 total cpu time spent up to now is 128.5 secs Computing kpt #: 108 total cpu time spent up to now is 129.4 secs Computing kpt #: 109 total cpu time spent up to now is 130.3 secs Computing kpt #: 110 total cpu time spent up to now is 131.3 secs Computing kpt #: 111 total cpu time spent up to now is 132.3 secs Computing kpt #: 112 total cpu time spent up to now is 133.5 secs Computing kpt #: 113 total cpu time spent up to now is 134.7 secs Computing kpt #: 114 total cpu time spent up to now is 136.8 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.1 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.4 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.7 secs Computing kpt #: 118 total cpu time spent up to now is 146.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 120 total cpu time spent up to now is 150.2 secs Computing kpt #: 121 total cpu time spent up to now is 152.1 secs Computing kpt #: 122 total cpu time spent up to now is 153.7 secs Computing kpt #: 123 total cpu time spent up to now is 155.6 secs Computing kpt #: 124 total cpu time spent up to now is 157.5 secs Computing kpt #: 125 total cpu time spent up to now is 159.4 secs Computing kpt #: 126 total cpu time spent up to now is 161.3 secs Computing kpt #: 127 total cpu time spent up to now is 163.0 secs Computing kpt #: 128 total cpu time spent up to now is 164.9 secs Computing kpt #: 129 total cpu time spent up to now is 166.3 secs Computing kpt #: 130 total cpu time spent up to now is 168.2 secs Computing kpt #: 131 total cpu time spent up to now is 170.1 secs Computing kpt #: 132 total cpu time spent up to now is 172.0 secs Computing kpt #: 133 total cpu time spent up to now is 173.5 secs Computing kpt #: 134 total cpu time spent up to now is 175.4 secs Computing kpt #: 135 total cpu time spent up to now is 177.4 secs Computing kpt #: 136 total cpu time spent up to now is 179.5 secs Computing kpt #: 137 total cpu time spent up to now is 181.0 secs Computing kpt #: 138 total cpu time spent up to now is 182.8 secs Computing kpt #: 139 total cpu time spent up to now is 184.6 secs Computing kpt #: 140 total cpu time spent up to now is 186.2 secs Computing kpt #: 141 total cpu time spent up to now is 188.0 secs Computing kpt #: 142 total cpu time spent up to now is 190.0 secs Computing kpt #: 143 total cpu time spent up to now is 192.0 secs Computing kpt #: 144 total cpu time spent up to now is 194.0 secs Computing kpt #: 145 total cpu time spent up to now is 196.1 secs Computing kpt #: 146 total cpu time spent up to now is 198.6 secs Computing kpt #: 147 total cpu time spent up to now is 201.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 149 total cpu time spent up to now is 205.7 secs Computing kpt #: 150 total cpu time spent up to now is 207.5 secs Computing kpt #: 151 total cpu time spent up to now is 209.9 secs Computing kpt #: 152 total cpu time spent up to now is 212.4 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.2 secs Computing kpt #: 154 total cpu time spent up to now is 217.2 secs Computing kpt #: 155 total cpu time spent up to now is 219.1 secs Computing kpt #: 156 total cpu time spent up to now is 221.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.7 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.5 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.0 secs Computing kpt #: 161 total cpu time spent up to now is 232.5 secs Computing kpt #: 162 total cpu time spent up to now is 234.1 secs Computing kpt #: 163 total cpu time spent up to now is 235.7 secs Computing kpt #: 164 total cpu time spent up to now is 237.3 secs Computing kpt #: 165 total cpu time spent up to now is 238.6 secs Computing kpt #: 166 total cpu time spent up to now is 239.8 secs Computing kpt #: 167 total cpu time spent up to now is 241.0 secs Computing kpt #: 168 total cpu time spent up to now is 242.5 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.8 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.7 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.0 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.3 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.0 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.4 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.8 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.0 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.8 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.4 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.8 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.1 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.4 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.0 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.2 secs Computing kpt #: 189 total cpu time spent up to now is 290.2 secs Computing kpt #: 190 total cpu time spent up to now is 291.2 secs Computing kpt #: 191 total cpu time spent up to now is 292.8 secs Computing kpt #: 192 total cpu time spent up to now is 294.5 secs Computing kpt #: 193 total cpu time spent up to now is 296.2 secs Computing kpt #: 194 total cpu time spent up to now is 298.2 secs Computing kpt #: 195 total cpu time spent up to now is 300.0 secs Computing kpt #: 196 total cpu time spent up to now is 301.4 secs Computing kpt #: 197 total cpu time spent up to now is 302.7 secs Computing kpt #: 198 total cpu time spent up to now is 303.8 secs Computing kpt #: 199 total cpu time spent up to now is 304.9 secs Computing kpt #: 200 total cpu time spent up to now is 306.1 secs Computing kpt #: 201 total cpu time spent up to now is 307.2 secs Computing kpt #: 202 total cpu time spent up to now is 308.5 secs Computing kpt #: 203 total cpu time spent up to now is 309.6 secs Computing kpt #: 204 total cpu time spent up to now is 310.8 secs Computing kpt #: 205 total cpu time spent up to now is 312.1 secs Computing kpt #: 206 total cpu time spent up to now is 313.3 secs Computing kpt #: 207 total cpu time spent up to now is 314.6 secs Computing kpt #: 208 total cpu time spent up to now is 315.9 secs Computing kpt #: 209 total cpu time spent up to now is 317.2 secs Computing kpt #: 210 total cpu time spent up to now is 318.5 secs Computing kpt #: 211 total cpu time spent up to now is 319.8 secs Computing kpt #: 212 total cpu time spent up to now is 321.1 secs Computing kpt #: 213 total cpu time spent up to now is 322.5 secs Computing kpt #: 214 total cpu time spent up to now is 324.1 secs Computing kpt #: 215 total cpu time spent up to now is 326.0 secs Computing kpt #: 216 total cpu time spent up to now is 327.9 secs Computing kpt #: 217 total cpu time spent up to now is 330.1 secs Computing kpt #: 218 total cpu time spent up to now is 332.6 secs Computing kpt #: 219 total cpu time spent up to now is 334.4 secs ethr = 1.92E-08, avg # of iterations = 56.2 total cpu time spent up to now is 334.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5834 -10.5834 -10.5785 -10.5785 1.1079 1.1079 2.4129 2.4129 6.7379 6.7379 6.9167 6.9167 6.9167 6.9167 7.1285 7.1285 7.3669 7.3669 7.3669 7.3669 7.8631 7.8631 7.8631 7.8631 8.4994 8.4994 8.4994 8.4994 8.5133 8.5133 8.5133 8.5133 9.2898 9.2898 9.8623 9.8623 9.8845 9.8845 9.8845 9.8845 10.4665 10.4665 10.4665 10.4665 11.5077 11.5077 k = 0.0000 0.0179-0.0000 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5785 -10.5785 1.1093 1.1093 2.4124 2.4124 6.7379 6.7379 6.9162 6.9162 6.9172 6.9172 7.1262 7.1262 7.3605 7.3605 7.3676 7.3676 7.8606 7.8606 7.8699 7.8699 8.4999 8.4999 8.5014 8.5014 8.5146 8.5146 8.5174 8.5174 9.2905 9.2905 9.8624 9.8624 9.8845 9.8845 9.8848 9.8848 10.4668 10.4668 10.4671 10.4671 11.5123 11.5123 k = 0.0000 0.0357-0.0000 ( 7124 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1136 1.1136 2.4111 2.4111 6.7380 6.7380 6.9146 6.9146 6.9186 6.9186 7.1186 7.1186 7.3433 7.3433 7.3695 7.3695 7.8533 7.8533 7.8892 7.8892 8.5012 8.5012 8.5058 8.5058 8.5196 8.5196 8.5294 8.5294 9.2926 9.2926 9.8628 9.8628 9.8846 9.8846 9.8856 9.8856 10.4678 10.4678 10.4687 10.4687 11.5262 11.5262 k = 0.0000 0.0536-0.0000 ( 7132 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1207 1.1207 2.4090 2.4090 6.7378 6.7378 6.9118 6.9118 6.9208 6.9208 7.1037 7.1037 7.3206 7.3206 7.3728 7.3728 7.8428 7.8428 7.9186 7.9186 8.5036 8.5036 8.5103 8.5103 8.5302 8.5302 8.5486 8.5486 9.2961 9.2961 9.8634 9.8634 9.8847 9.8847 9.8869 9.8869 10.4694 10.4694 10.4712 10.4712 11.5493 11.5493 k = 0.0000 0.0714-0.0000 ( 7136 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5835 -10.5835 -10.5787 -10.5787 1.1306 1.1306 2.4060 2.4060 6.7369 6.7369 6.9075 6.9075 6.9237 6.9237 7.0785 7.0785 7.2991 7.2991 7.3775 7.3775 7.8307 7.8307 7.9557 7.9557 8.5069 8.5069 8.5143 8.5143 8.5458 8.5458 8.5737 8.5737 9.3010 9.3010 9.8640 9.8640 9.8848 9.8848 9.8886 9.8886 10.4713 10.4713 10.4745 10.4745 11.5817 11.5817 k = 0.0000 0.0893-0.0000 ( 7140 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5835 -10.5835 -10.5787 -10.5787 1.1432 1.1432 2.4020 2.4020 6.7346 6.7346 6.9015 6.9015 6.9271 6.9271 7.0412 7.0412 7.2837 7.2837 7.3835 7.3835 7.8195 7.8195 7.9989 7.9989 8.5112 8.5112 8.5189 8.5189 8.5647 8.5647 8.6033 8.6033 9.3072 9.3072 9.8644 9.8644 9.8850 9.8850 9.8903 9.8903 10.4733 10.4733 10.4783 10.4783 11.6233 11.6233 k = 0.0000 0.1071-0.0000 ( 7140 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6204 -11.6204 -11.6203 -11.6203 -10.5943 -10.5943 -10.5941 -10.5941 -10.5930 -10.5930 -10.5928 -10.5928 -10.5835 -10.5835 -10.5788 -10.5788 1.1586 1.1586 2.3971 2.3971 6.7297 6.7297 6.8941 6.8941 6.9302 6.9302 6.9930 6.9930 7.2761 7.2761 7.3909 7.3909 7.8112 7.8112 8.0473 8.0473 8.5166 8.5166 8.5242 8.5242 8.5857 8.5857 8.6361 8.6361 9.3148 9.3148 9.8645 9.8645 9.8850 9.8850 9.8919 9.8919 10.4751 10.4751 10.4821 10.4821 11.6740 11.6740 k = 0.0000 0.1250-0.0000 ( 7140 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6204 -11.6204 -11.6203 -11.6203 -10.5943 -10.5943 -10.5941 -10.5941 -10.5930 -10.5930 -10.5928 -10.5928 -10.5835 -10.5835 -10.5789 -10.5789 1.1766 1.1766 2.3913 2.3913 6.7207 6.7207 6.8859 6.8859 6.9248 6.9248 6.9451 6.9451 7.2754 7.2754 7.3996 7.3996 7.8080 7.8080 8.1001 8.1001 8.5232 8.5232 8.5306 8.5306 8.6079 8.6079 8.6708 8.6708 9.3237 9.3237 9.8640 9.8640 9.8847 9.8847 9.8930 9.8930 10.4766 10.4766 10.4856 10.4856 11.7336 11.7336 k = 0.0000 0.1429-0.0000 ( 7140 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6205 -11.6205 -11.6204 -11.6204 -10.5944 -10.5944 -10.5941 -10.5941 -10.5931 -10.5931 -10.5928 -10.5928 -10.5834 -10.5834 -10.5790 -10.5790 1.1972 1.1972 2.3844 2.3844 6.7058 6.7058 6.8694 6.8694 6.8782 6.8782 6.9415 6.9415 7.2800 7.2800 7.4098 7.4098 7.8113 7.8113 8.1573 8.1573 8.5310 8.5310 8.5380 8.5380 8.6309 8.6309 8.7063 8.7063 9.3338 9.3338 9.8630 9.8630 9.8839 9.8839 9.8934 9.8934 10.4772 10.4772 10.4883 10.4883 11.8015 11.8015 k = 0.0000 0.1607-0.0000 ( 7156 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6205 -11.6205 -11.6204 -11.6204 -10.5944 -10.5944 -10.5941 -10.5941 -10.5932 -10.5932 -10.5928 -10.5928 -10.5834 -10.5834 -10.5791 -10.5791 1.2203 1.2203 2.3764 2.3764 6.6836 6.6836 6.8038 6.8038 6.8721 6.8721 6.9445 6.9445 7.2890 7.2890 7.4213 7.4213 7.8225 7.8225 8.2185 8.2185 8.5402 8.5402 8.5467 8.5467 8.6541 8.6541 8.7416 8.7416 9.3451 9.3451 9.8613 9.8613 9.8821 9.8821 9.8926 9.8926 10.4769 10.4769 10.4897 10.4897 11.8770 11.8770 k = 0.0000 0.1786-0.0000 ( 7164 PWs) bands (ev): -11.6221 -11.6221 -11.6219 -11.6219 -11.6206 -11.6206 -11.6204 -11.6204 -10.5945 -10.5945 -10.5940 -10.5940 -10.5932 -10.5932 -10.5928 -10.5928 -10.5834 -10.5834 -10.5793 -10.5793 1.2458 1.2458 2.3673 2.3673 6.6534 6.6534 6.7362 6.7362 6.8685 6.8685 6.9475 6.9475 7.3014 7.3014 7.4341 7.4341 7.8419 7.8419 8.2835 8.2835 8.5508 8.5508 8.5566 8.5566 8.6774 8.6774 8.7763 8.7763 9.3576 9.3576 9.8587 9.8587 9.8793 9.8793 9.8904 9.8904 10.4752 10.4752 10.4893 10.4893 11.9583 11.9583 k = 0.0000 0.1964-0.0000 ( 7172 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6206 -11.6206 -11.6204 -11.6204 -10.5945 -10.5945 -10.5940 -10.5940 -10.5933 -10.5933 -10.5928 -10.5928 -10.5834 -10.5834 -10.5794 -10.5794 1.2736 1.2736 2.3571 2.3571 6.6160 6.6160 6.6682 6.6682 6.8673 6.8673 6.9501 6.9501 7.3168 7.3168 7.4482 7.4482 7.8698 7.8698 8.3518 8.3518 8.5629 8.5629 8.5678 8.5678 8.7006 8.7006 8.8099 8.8099 9.3712 9.3712 9.8553 9.8553 9.8750 9.8750 9.8863 9.8863 10.4720 10.4720 10.4863 10.4863 12.0416 12.0416 k = 0.0000 0.2143-0.0000 ( 7172 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6206 -11.6206 -11.6204 -11.6204 -10.5946 -10.5946 -10.5940 -10.5940 -10.5933 -10.5933 -10.5927 -10.5927 -10.5834 -10.5834 -10.5796 -10.5796 1.3036 1.3036 2.3455 2.3455 6.5726 6.5726 6.6008 6.6008 6.8681 6.8681 6.9520 6.9520 7.3348 7.3348 7.4635 7.4635 7.9058 7.9058 8.4225 8.4225 8.5769 8.5769 8.5803 8.5803 8.7236 8.7236 8.8426 8.8426 9.3858 9.3858 9.8506 9.8506 9.8693 9.8693 9.8801 9.8801 10.4669 10.4669 10.4801 10.4801 12.1120 12.1120 k = 0.0000 0.2321-0.0000 ( 7164 PWs) bands (ev): -11.6222 -11.6222 -11.6220 -11.6220 -11.6207 -11.6207 -11.6205 -11.6205 -10.5946 -10.5946 -10.5940 -10.5940 -10.5933 -10.5933 -10.5927 -10.5927 -10.5834 -10.5834 -10.5797 -10.5797 1.3356 1.3356 2.3326 2.3326 6.5247 6.5247 6.5348 6.5348 6.8701 6.8701 6.9532 6.9532 7.3550 7.3550 7.4798 7.4798 7.9495 7.9495 8.4939 8.4939 8.5936 8.5936 8.5942 8.5942 8.7463 8.7463 8.8746 8.8746 9.4013 9.4013 9.8441 9.8441 9.8624 9.8624 9.8714 9.8714 10.4598 10.4598 10.4696 10.4696 12.1177 12.1177 k = 0.0000 0.2500-0.0000 ( 7156 PWs) bands (ev): -11.6222 -11.6222 -11.6220 -11.6220 -11.6207 -11.6207 -11.6205 -11.6205 -10.5947 -10.5947 -10.5940 -10.5940 -10.5933 -10.5933 -10.5927 -10.5927 -10.5833 -10.5833 -10.5798 -10.5798 1.3695 1.3695 2.3182 2.3182 6.4707 6.4707 6.4740 6.4740 6.8731 6.8731 6.9536 6.9536 7.3770 7.3770 7.4970 7.4970 8.0002 8.0002 8.5605 8.5605 8.6095 8.6095 8.6169 8.6169 8.7689 8.7689 8.9068 8.9068 9.4177 9.4177 9.8351 9.8351 9.8547 9.8547 9.8602 9.8602 10.4504 10.4504 10.4538 10.4538 12.0580 12.0580 k = 0.0000 0.2679-0.0000 ( 7160 PWs) bands (ev): -11.6223 -11.6223 -11.6220 -11.6220 -11.6207 -11.6207 -11.6205 -11.6205 -10.5947 -10.5947 -10.5940 -10.5940 -10.5933 -10.5933 -10.5927 -10.5927 -10.5833 -10.5833 -10.5800 -10.5800 1.4052 1.4052 2.3024 2.3024 6.4091 6.4091 6.4217 6.4217 6.8765 6.8765 6.9534 6.9534 7.4006 7.4006 7.5149 7.5149 8.0574 8.0574 8.6053 8.6053 8.6260 8.6260 8.6615 8.6615 8.7914 8.7914 8.9411 8.9411 9.4349 9.4349 9.8229 9.8229 9.8463 9.8463 9.8469 9.8469 10.4316 10.4316 10.4387 10.4387 11.9857 11.9857 k = 0.0000 0.2857-0.0000 ( 7136 PWs) bands (ev): -11.6223 -11.6223 -11.6221 -11.6221 -11.6207 -11.6207 -11.6205 -11.6205 -10.5947 -10.5947 -10.5941 -10.5941 -10.5933 -10.5933 -10.5927 -10.5927 -10.5833 -10.5833 -10.5802 -10.5802 1.4424 1.4424 2.2849 2.2849 6.3505 6.3505 6.3692 6.3692 6.8802 6.8802 6.9526 6.9526 7.4252 7.4252 7.5331 7.5331 8.1202 8.1202 8.6305 8.6305 8.6437 8.6437 8.7218 8.7218 8.8139 8.8139 8.9803 8.9803 9.4529 9.4529 9.8074 9.8074 9.8297 9.8297 9.8390 9.8390 10.4020 10.4020 10.4243 10.4243 11.9174 11.9174 k = 0.0000 0.3036-0.0000 ( 7148 PWs) bands (ev): -11.6223 -11.6223 -11.6221 -11.6221 -11.6207 -11.6207 -11.6205 -11.6205 -10.5948 -10.5948 -10.5942 -10.5942 -10.5932 -10.5932 -10.5927 -10.5927 -10.5832 -10.5832 -10.5803 -10.5803 1.4810 1.4810 2.2658 2.2658 6.2952 6.2952 6.3174 6.3174 6.8839 6.8839 6.9512 6.9512 7.4506 7.4506 7.5515 7.5515 8.1880 8.1880 8.6518 8.6518 8.6625 8.6625 8.7775 8.7775 8.8367 8.8367 9.0281 9.0281 9.4714 9.4714 9.7889 9.7889 9.8104 9.8104 9.8308 9.8308 10.3640 10.3640 10.4072 10.4072 11.8583 11.8583 k = 0.0000 0.3214-0.0000 ( 7148 PWs) bands (ev): -11.6224 -11.6224 -11.6222 -11.6222 -11.6207 -11.6207 -11.6205 -11.6205 -10.5948 -10.5948 -10.5943 -10.5943 -10.5932 -10.5932 -10.5927 -10.5927 -10.5832 -10.5832 -10.5805 -10.5805 1.5208 1.5208 2.2449 2.2449 6.2436 6.2436 6.2673 6.2673 6.8876 6.8876 6.9493 6.9493 7.4762 7.4762 7.5695 7.5695 8.2598 8.2598 8.6727 8.6727 8.6822 8.6822 8.8215 8.8215 8.8599 8.8599 9.0870 9.0870 9.4904 9.4904 9.7680 9.7680 9.7888 9.7888 9.8219 9.8219 10.3170 10.3170 10.3871 10.3871 11.8114 11.8114 k = 0.0000 0.3393-0.0000 ( 7152 PWs) bands (ev): -11.6224 -11.6224 -11.6222 -11.6222 -11.6207 -11.6207 -11.6205 -11.6205 -10.5949 -10.5949 -10.5944 -10.5944 -10.5932 -10.5932 -10.5926 -10.5926 -10.5831 -10.5831 -10.5807 -10.5807 1.5616 1.5616 2.2223 2.2223 6.1960 6.1960 6.2198 6.2198 6.8912 6.8912 6.9471 6.9471 7.5017 7.5017 7.5870 7.5870 8.3349 8.3349 8.6938 8.6938 8.7026 8.7026 8.8531 8.8531 8.8842 8.8842 9.1560 9.1560 9.5099 9.5099 9.7451 9.7451 9.7652 9.7652 9.8123 9.8123 10.2613 10.2613 10.3638 10.3638 11.7780 11.7780 k = 0.0000 0.3571-0.0000 ( 7168 PWs) bands (ev): -11.6225 -11.6225 -11.6223 -11.6223 -11.6207 -11.6207 -11.6205 -11.6205 -10.5949 -10.5949 -10.5944 -10.5944 -10.5931 -10.5931 -10.5927 -10.5927 -10.5830 -10.5830 -10.5808 -10.5808 1.6032 1.6032 2.1977 2.1977 6.1527 6.1527 6.1754 6.1754 6.8946 6.8946 6.9445 6.9445 7.5266 7.5266 7.6035 7.6035 8.4118 8.4118 8.7150 8.7150 8.7234 8.7234 8.8745 8.8745 8.9100 8.9100 9.2314 9.2314 9.5296 9.5296 9.7209 9.7209 9.7401 9.7401 9.8018 9.8018 10.1976 10.1976 10.3373 10.3373 11.7592 11.7592 k = 0.0000 0.3750-0.0000 ( 7176 PWs) bands (ev): -11.6225 -11.6225 -11.6223 -11.6223 -11.6207 -11.6207 -11.6205 -11.6205 -10.5949 -10.5949 -10.5945 -10.5945 -10.5931 -10.5931 -10.5927 -10.5927 -10.5829 -10.5829 -10.5810 -10.5810 1.6454 1.6454 2.1713 2.1713 6.1140 6.1140 6.1348 6.1348 6.8979 6.8979 6.9416 6.9416 7.5504 7.5504 7.6185 7.6185 8.4892 8.4892 8.7361 8.7361 8.7442 8.7442 8.8883 8.8883 8.9385 8.9385 9.3087 9.3087 9.5495 9.5495 9.6962 9.6962 9.7142 9.7142 9.7904 9.7904 10.1279 10.1279 10.3072 10.3072 11.7551 11.7551 k = 0.0000 0.3929-0.0000 ( 7176 PWs) bands (ev): -11.6225 -11.6225 -11.6224 -11.6224 -11.6207 -11.6207 -11.6205 -11.6205 -10.5950 -10.5950 -10.5946 -10.5946 -10.5930 -10.5930 -10.5927 -10.5927 -10.5829 -10.5829 -10.5812 -10.5812 1.6878 1.6878 2.1430 2.1430 6.0801 6.0801 6.0985 6.0985 6.9011 6.9011 6.9386 6.9386 7.5728 7.5728 7.6318 7.6318 8.5649 8.5649 8.7566 8.7566 8.7644 8.7644 8.8963 8.8963 8.9713 8.9713 9.3830 9.3830 9.5696 9.5696 9.6717 9.6717 9.6882 9.6882 9.7780 9.7780 10.0557 10.0557 10.2735 10.2735 11.7653 11.7653 k = 0.0000 0.4107-0.0000 ( 7180 PWs) bands (ev): -11.6226 -11.6226 -11.6224 -11.6224 -11.6207 -11.6207 -11.6206 -11.6206 -10.5950 -10.5950 -10.5947 -10.5947 -10.5930 -10.5930 -10.5927 -10.5927 -10.5828 -10.5828 -10.5814 -10.5814 1.7304 1.7304 2.1129 2.1129 6.0513 6.0513 6.0669 6.0669 6.9043 6.9043 6.9355 6.9355 7.5934 7.5934 7.6430 7.6430 8.6359 8.6359 8.7759 8.7759 8.7835 8.7835 8.8996 8.8996 9.0104 9.0104 9.4482 9.4482 9.5896 9.5896 9.6485 9.6485 9.6631 9.6631 9.7647 9.7647 9.9865 9.9865 10.2360 10.2360 11.7893 11.7893 k = 0.0000 0.4286-0.0000 ( 7184 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6206 -11.6206 -10.5950 -10.5950 -10.5947 -10.5947 -10.5929 -10.5929 -10.5927 -10.5927 -10.5826 -10.5826 -10.5815 -10.5815 1.7728 1.7728 2.0809 2.0809 6.0277 6.0277 6.0403 6.0403 6.9073 6.9073 6.9323 6.9323 7.6117 7.6117 7.6517 7.6517 8.6992 8.6992 8.7934 8.7934 8.8008 8.8008 8.8988 8.8988 9.0583 9.0583 9.4942 9.4942 9.6095 9.6095 9.6277 9.6277 9.6397 9.6397 9.7505 9.7505 9.9308 9.9308 10.1946 10.1946 11.8262 11.8262 k = 0.0000 0.4464-0.0000 ( 7192 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6206 -11.6206 -10.5950 -10.5950 -10.5948 -10.5948 -10.5929 -10.5929 -10.5927 -10.5927 -10.5825 -10.5825 -10.5817 -10.5817 1.8148 1.8148 2.0471 2.0471 6.0095 6.0095 6.0190 6.0190 6.9104 6.9104 6.9291 6.9291 7.6275 7.6275 7.6577 7.6577 8.7519 8.7519 8.8083 8.8083 8.8157 8.8157 8.8943 8.8943 9.1168 9.1168 9.5062 9.5062 9.6104 9.6104 9.6193 9.6193 9.6291 9.6291 9.7353 9.7353 9.9036 9.9036 10.1494 10.1494 11.8752 11.8752 k = 0.0000 0.4643-0.0000 ( 7192 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6207 -11.6207 -11.6206 -11.6206 -10.5950 -10.5950 -10.5949 -10.5949 -10.5928 -10.5928 -10.5927 -10.5927 -10.5824 -10.5824 -10.5819 -10.5819 1.8562 1.8562 2.0117 2.0117 5.9969 5.9969 6.0032 6.0032 6.9134 6.9134 6.9259 6.9259 7.6404 7.6404 7.6606 7.6606 8.7924 8.7924 8.8196 8.8196 8.8282 8.8282 8.8860 8.8860 9.1854 9.1854 9.4762 9.4762 9.5976 9.5976 9.6036 9.6036 9.6482 9.6482 9.7193 9.7193 9.9132 9.9132 10.1008 10.1008 11.9354 11.9354 k = 0.0000 0.4821-0.0000 ( 7200 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5949 -10.5949 -10.5928 -10.5928 -10.5927 -10.5927 -10.5823 -10.5823 -10.5820 -10.5820 1.8968 1.8968 1.9748 1.9748 5.9899 5.9899 5.9931 5.9931 6.9165 6.9165 6.9227 6.9227 7.6503 7.6503 7.6604 7.6604 8.8187 8.8187 8.8266 8.8266 8.8407 8.8407 8.8738 8.8738 9.2615 9.2615 9.4155 9.4155 9.5902 9.5902 9.5933 9.5933 9.6669 9.6669 9.7026 9.7026 9.9494 9.9494 10.0496 10.0496 12.0056 12.0056 k = 0.0000 0.5000-0.0000 ( 7224 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5950 -10.5950 -10.5928 -10.5928 -10.5928 -10.5928 -10.5822 -10.5822 -10.5822 -10.5822 1.9364 1.9364 1.9364 1.9364 5.9886 5.9886 5.9886 5.9886 6.9196 6.9196 6.9196 6.9196 7.6570 7.6570 7.6570 7.6570 8.8277 8.8277 8.8277 8.8277 8.8578 8.8578 8.8578 8.8578 9.3404 9.3404 9.3404 9.3404 9.5887 9.5887 9.5887 9.5887 9.6851 9.6851 9.6851 9.6851 9.9978 9.9978 9.9978 9.9978 12.0847 12.0847 k = 0.0000 0.5000-0.0000 ( 7224 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5950 -10.5950 -10.5928 -10.5928 -10.5928 -10.5928 -10.5822 -10.5822 -10.5822 -10.5822 1.9364 1.9364 1.9364 1.9364 5.9886 5.9886 5.9886 5.9886 6.9196 6.9196 6.9196 6.9196 7.6570 7.6570 7.6570 7.6570 8.8277 8.8277 8.8277 8.8277 8.8578 8.8578 8.8578 8.8578 9.3404 9.3404 9.3404 9.3404 9.5887 9.5887 9.5887 9.5887 9.6851 9.6851 9.6851 9.6851 9.9978 9.9978 9.9978 9.9978 12.0847 12.0847 k = 0.0179 0.5000-0.0000 ( 7200 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5949 -10.5949 -10.5928 -10.5928 -10.5927 -10.5927 -10.5822 -10.5822 -10.5821 -10.5821 1.9372 1.9372 1.9372 1.9372 5.9869 5.9869 5.9884 5.9884 6.9172 6.9172 6.9227 6.9227 7.6552 7.6552 7.6605 7.6605 8.8057 8.8057 8.8328 8.8328 8.8539 8.8539 8.8780 8.8780 9.3357 9.3357 9.3429 9.3429 9.5720 9.5720 9.5945 9.5945 9.6871 9.6871 9.7011 9.7011 9.9979 9.9979 10.0008 10.0008 12.0822 12.0831 k = 0.0357 0.5000-0.0000 ( 7196 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5951 -10.5951 -10.5948 -10.5948 -10.5929 -10.5929 -10.5927 -10.5927 -10.5822 -10.5822 -10.5821 -10.5821 1.9395 1.9395 1.9396 1.9396 5.9831 5.9831 5.9862 5.9862 6.9145 6.9145 6.9278 6.9278 7.6545 7.6545 7.6665 7.6665 8.7739 8.7739 8.8339 8.8339 8.8585 8.8585 8.9027 8.9027 9.3246 9.3246 9.3486 9.3486 9.5373 9.5373 9.6103 9.6103 9.6934 9.6934 9.7340 9.7340 10.0007 10.0007 10.0074 10.0074 12.0746 12.0754 k = 0.0536 0.5000-0.0000 ( 7186 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6207 -11.6207 -11.6206 -11.6206 -10.5951 -10.5951 -10.5947 -10.5947 -10.5930 -10.5930 -10.5926 -10.5926 -10.5822 -10.5822 -10.5821 -10.5821 1.9434 1.9434 1.9436 1.9436 5.9772 5.9772 5.9821 5.9821 6.9112 6.9112 6.9355 6.9355 7.6545 7.6545 7.6752 7.6752 8.7385 8.7385 8.8348 8.8348 8.8667 8.8667 8.9262 8.9262 9.3089 9.3089 9.3580 9.3580 9.4966 9.4966 9.6339 9.6339 9.7038 9.7038 9.7717 9.7717 10.0059 10.0059 10.0179 10.0179 12.0619 12.0619 k = 0.0714 0.5000-0.0000 ( 7172 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6207 -11.6207 -10.5952 -10.5952 -10.5946 -10.5946 -10.5930 -10.5930 -10.5926 -10.5926 -10.5823 -10.5823 -10.5821 -10.5821 1.9488 1.9488 1.9491 1.9491 5.9692 5.9692 5.9758 5.9758 6.9077 6.9077 6.9460 6.9460 7.6548 7.6548 7.6866 7.6866 8.7010 8.7010 8.8362 8.8362 8.8774 8.8774 8.9475 8.9475 9.2912 9.2912 9.3710 9.3710 9.4533 9.4533 9.6628 9.6628 9.7183 9.7183 9.8108 9.8108 10.0133 10.0133 10.0325 10.0325 12.0443 12.0443 k = 0.0893 0.5000-0.0000 ( 7180 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6207 -11.6207 -10.5952 -10.5952 -10.5946 -10.5946 -10.5931 -10.5931 -10.5925 -10.5925 -10.5823 -10.5823 -10.5821 -10.5821 1.9557 1.9557 1.9562 1.9562 5.9590 5.9590 5.9671 5.9671 6.9048 6.9048 6.9593 6.9593 7.6554 7.6554 7.7008 7.7008 8.6619 8.6619 8.8381 8.8381 8.8892 8.8892 8.9665 8.9665 9.2736 9.2736 9.3875 9.3875 9.4085 9.4085 9.6951 9.6951 9.7368 9.7368 9.8504 9.8504 10.0226 10.0226 10.0512 10.0512 12.0218 12.0218 k = 0.1071 0.5000-0.0000 ( 7178 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6207 -11.6207 -10.5953 -10.5953 -10.5945 -10.5945 -10.5932 -10.5932 -10.5925 -10.5925 -10.5824 -10.5824 -10.5821 -10.5821 1.9640 1.9640 1.9646 1.9646 5.9466 5.9466 5.9557 5.9557 6.9033 6.9033 6.9755 6.9755 7.6562 7.6562 7.7173 7.7173 8.6218 8.6218 8.8405 8.8405 8.9006 8.9006 8.9831 8.9831 9.2585 9.2585 9.3619 9.3619 9.4079 9.4079 9.7295 9.7295 9.7591 9.7591 9.8903 9.8903 10.0338 10.0338 10.0742 10.0742 11.9947 11.9947 k = 0.1250 0.5000-0.0000 ( 7188 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6208 -11.6208 -11.6207 -11.6207 -10.5954 -10.5954 -10.5944 -10.5944 -10.5932 -10.5932 -10.5925 -10.5925 -10.5825 -10.5825 -10.5822 -10.5822 1.9735 1.9735 1.9744 1.9744 5.9318 5.9318 5.9417 5.9417 6.9041 6.9041 6.9945 6.9945 7.6571 7.6571 7.7360 7.7360 8.5811 8.5811 8.8435 8.8435 8.9091 8.9091 8.9975 8.9975 9.2479 9.2479 9.3145 9.3145 9.4313 9.4313 9.7650 9.7650 9.7853 9.7853 9.9305 9.9305 10.0466 10.0466 10.1014 10.1014 11.9631 11.9631 k = 0.1429 0.5000-0.0000 ( 7184 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6208 -11.6208 -11.6208 -11.6208 -10.5954 -10.5954 -10.5944 -10.5944 -10.5933 -10.5933 -10.5925 -10.5925 -10.5825 -10.5825 -10.5822 -10.5822 1.9844 1.9844 1.9855 1.9855 5.9140 5.9140 5.9257 5.9257 6.9081 6.9081 7.0162 7.0162 7.6582 7.6582 7.7563 7.7563 8.5403 8.5403 8.8471 8.8471 8.9123 8.9123 9.0099 9.0099 9.2442 9.2442 9.2661 9.2661 9.4580 9.4580 9.8011 9.8011 9.8151 9.8151 9.9708 9.9708 10.0610 10.0610 10.1328 10.1328 11.9275 11.9275 k = 0.1607 0.5000-0.0000 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6208 -11.6208 -11.6208 -11.6208 -10.5955 -10.5955 -10.5943 -10.5943 -10.5934 -10.5934 -10.5925 -10.5925 -10.5826 -10.5826 -10.5822 -10.5822 1.9964 1.9964 1.9977 1.9977 5.8925 5.8925 5.9084 5.9084 6.9159 6.9159 7.0406 7.0406 7.6594 7.6594 7.7779 7.7779 8.4997 8.4997 8.8514 8.8514 8.9077 8.9077 9.0202 9.0202 9.2161 9.2161 9.2498 9.2498 9.4877 9.4877 9.8376 9.8376 9.8483 9.8483 10.0114 10.0114 10.0770 10.0770 10.1682 10.1682 11.8883 11.8883 k = 0.1786 0.5000-0.0000 ( 7196 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6209 -11.6209 -11.6208 -11.6208 -10.5956 -10.5956 -10.5942 -10.5942 -10.5935 -10.5935 -10.5925 -10.5925 -10.5827 -10.5827 -10.5823 -10.5823 2.0094 2.0094 2.0109 2.0109 5.8669 5.8669 5.8903 5.8903 6.9281 6.9281 7.0676 7.0676 7.6607 7.6607 7.8004 7.8004 8.4598 8.4598 8.8564 8.8564 8.8944 8.8944 9.0289 9.0289 9.1656 9.1656 9.2643 9.2643 9.5203 9.5203 9.8746 9.8746 9.8845 9.8845 10.0524 10.0524 10.0946 10.0946 10.2072 10.2072 11.8461 11.8461 k = 0.1964 0.5000-0.0000 ( 7184 PWs) bands (ev): -11.6228 -11.6228 -11.6225 -11.6225 -11.6209 -11.6209 -11.6209 -11.6209 -10.5956 -10.5956 -10.5942 -10.5942 -10.5935 -10.5935 -10.5925 -10.5925 -10.5827 -10.5827 -10.5823 -10.5823 2.0233 2.0233 2.0250 2.0250 5.8377 5.8377 5.8715 5.8715 6.9449 6.9449 7.0970 7.0970 7.6620 7.6620 7.8233 7.8233 8.4211 8.4211 8.8614 8.8614 8.8729 8.8729 9.0360 9.0360 9.1141 9.1141 9.2870 9.2870 9.5555 9.5555 9.9124 9.9124 9.9237 9.9237 10.0938 10.0938 10.1138 10.1138 10.2495 10.2495 11.8013 11.8013 k = 0.2143 0.5000-0.0000 ( 7188 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6209 -11.6209 -11.6209 -11.6209 -10.5957 -10.5957 -10.5941 -10.5941 -10.5936 -10.5936 -10.5925 -10.5925 -10.5828 -10.5828 -10.5824 -10.5824 2.0380 2.0380 2.0398 2.0398 5.8053 5.8053 5.8522 5.8522 6.9664 6.9664 7.1288 7.1288 7.6634 7.6634 7.8462 7.8462 8.3839 8.3839 8.8421 8.8421 8.8689 8.8689 9.0417 9.0417 9.0621 9.0621 9.3159 9.3159 9.5932 9.5932 9.9512 9.9512 9.9660 9.9660 10.1343 10.1343 10.1361 10.1361 10.2946 10.2946 11.7547 11.7547 k = 0.2321 0.5000-0.0000 ( 7188 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6210 -11.6210 -11.6209 -11.6209 -10.5957 -10.5957 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5829 -10.5829 -10.5824 -10.5824 2.0532 2.0532 2.0552 2.0552 5.7704 5.7704 5.8324 5.8324 6.9924 6.9924 7.1629 7.1629 7.6648 7.6648 7.8687 7.8687 8.3484 8.3484 8.8064 8.8064 8.8755 8.8755 9.0081 9.0081 9.0475 9.0475 9.3487 9.3487 9.6330 9.6330 9.9916 9.9916 10.0114 10.0114 10.1572 10.1572 10.1784 10.1784 10.3421 10.3421 11.7067 11.7067 k = 0.2500 0.5000-0.0000 ( 7198 PWs) bands (ev): -11.6229 -11.6229 -11.6226 -11.6226 -11.6210 -11.6210 -11.6210 -11.6210 -10.5958 -10.5958 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5830 -10.5830 -10.5825 -10.5825 2.0689 2.0689 2.0710 2.0710 5.7337 5.7337 5.8123 5.8123 7.0228 7.0228 7.1990 7.1990 7.6662 7.6662 7.8904 7.8904 8.3150 8.3150 8.7655 8.7655 8.8828 8.8828 8.9544 8.9544 9.0514 9.0514 9.3834 9.3834 9.6748 9.6748 10.0341 10.0341 10.0597 10.0597 10.1818 10.1818 10.2216 10.2216 10.3916 10.3916 11.6579 11.6579 k = 0.2679 0.5000-0.0000 ( 7194 PWs) bands (ev): -11.6229 -11.6229 -11.6226 -11.6226 -11.6210 -11.6210 -11.6210 -11.6210 -10.5959 -10.5959 -10.5940 -10.5940 -10.5937 -10.5937 -10.5925 -10.5925 -10.5830 -10.5830 -10.5825 -10.5825 2.0848 2.0848 2.0869 2.0869 5.6958 5.6958 5.7921 5.7921 7.0572 7.0572 7.2371 7.2371 7.6676 7.6676 7.9108 7.9108 8.2840 8.2840 8.7202 8.7202 8.8903 8.8903 8.9002 8.9002 9.0547 9.0547 9.4182 9.4182 9.7181 9.7181 10.0794 10.0794 10.1107 10.1107 10.2084 10.2084 10.2656 10.2656 10.4430 10.4430 11.6089 11.6089 k = 0.2857 0.5000-0.0000 ( 7190 PWs) bands (ev): -11.6230 -11.6230 -11.6226 -11.6226 -11.6210 -11.6210 -11.6210 -11.6210 -10.5960 -10.5960 -10.5939 -10.5939 -10.5937 -10.5937 -10.5925 -10.5925 -10.5831 -10.5831 -10.5826 -10.5826 2.1008 2.1008 2.1029 2.1029 5.6575 5.6575 5.7720 5.7720 7.0952 7.0952 7.2768 7.2768 7.6691 7.6691 7.9298 7.9298 8.2555 8.2555 8.6715 8.6715 8.8451 8.8451 8.8985 8.8985 9.0573 9.0573 9.4516 9.4516 9.7628 9.7628 10.1277 10.1277 10.1643 10.1643 10.2372 10.2372 10.3105 10.3105 10.4961 10.4961 11.5600 11.5600 k = 0.3036 0.5000-0.0000 ( 7198 PWs) bands (ev): -11.6230 -11.6230 -11.6227 -11.6227 -11.6210 -11.6210 -11.6210 -11.6210 -10.5960 -10.5960 -10.5939 -10.5939 -10.5937 -10.5937 -10.5925 -10.5925 -10.5832 -10.5832 -10.5826 -10.5826 2.1166 2.1166 2.1187 2.1187 5.6195 5.6195 5.7523 5.7523 7.1363 7.1363 7.3181 7.3181 7.6707 7.6707 7.9471 7.9471 8.2295 8.2295 8.6198 8.6198 8.7901 8.7901 8.9066 8.9066 9.0594 9.0594 9.4827 9.4827 9.8085 9.8085 10.1789 10.1789 10.2203 10.2203 10.2682 10.2682 10.3562 10.3562 10.5509 10.5509 11.5117 11.5117 k = 0.3214 0.5000-0.0000 ( 7202 PWs) bands (ev): -11.6231 -11.6231 -11.6227 -11.6227 -11.6211 -11.6211 -11.6210 -11.6210 -10.5961 -10.5961 -10.5939 -10.5939 -10.5937 -10.5937 -10.5925 -10.5925 -10.5832 -10.5832 -10.5827 -10.5827 2.1321 2.1321 2.1340 2.1340 5.5824 5.5824 5.7332 5.7332 7.1801 7.1801 7.3605 7.3605 7.6724 7.6724 7.9626 7.9626 8.2063 8.2063 8.5657 8.5657 8.7353 8.7353 8.9147 8.9147 9.0611 9.0611 9.5107 9.5107 9.8546 9.8546 10.2322 10.2322 10.2786 10.2786 10.3013 10.3013 10.4029 10.4029 10.6078 10.6078 11.4642 11.4643 k = 0.3393 0.5000-0.0000 ( 7214 PWs) bands (ev): -11.6231 -11.6231 -11.6227 -11.6227 -11.6211 -11.6211 -11.6210 -11.6210 -10.5962 -10.5962 -10.5940 -10.5940 -10.5937 -10.5937 -10.5925 -10.5925 -10.5833 -10.5833 -10.5827 -10.5827 2.1469 2.1469 2.1487 2.1487 5.5469 5.5469 5.7149 5.7149 7.2259 7.2259 7.4037 7.4037 7.6744 7.6744 7.9762 7.9762 8.1856 8.1856 8.5097 8.5097 8.6808 8.6808 8.9226 8.9226 9.0624 9.0624 9.5353 9.5353 9.9006 9.9006 10.2865 10.2865 10.3366 10.3366 10.3390 10.3390 10.4505 10.4505 10.6669 10.6669 11.4181 11.4181 k = 0.3571 0.5000-0.0000 ( 7206 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5962 -10.5962 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5833 -10.5833 -10.5828 -10.5828 2.1610 2.1610 2.1626 2.1626 5.5134 5.5134 5.6977 5.6977 7.2731 7.2731 7.4473 7.4473 7.6768 7.6768 7.9880 7.9880 8.1674 8.1674 8.4525 8.4525 8.6273 8.6273 8.9302 8.9302 9.0634 9.0634 9.5564 9.5564 9.9461 9.9461 10.3400 10.3400 10.3739 10.3739 10.4011 10.4011 10.4990 10.4990 10.7287 10.7287 11.3737 11.3737 k = 0.3750 0.5000-0.0000 ( 7208 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5963 -10.5963 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5828 -10.5828 2.1740 2.1740 2.1754 2.1754 5.4826 5.4826 5.6818 5.6818 7.3209 7.3209 7.4904 7.4904 7.6800 7.6800 7.9981 7.9981 8.1516 8.1516 8.3946 8.3946 8.5752 8.5752 8.9373 8.9373 9.0642 9.0642 9.5741 9.5741 9.9902 9.9902 10.3901 10.3901 10.4132 10.4132 10.4647 10.4647 10.5484 10.5484 10.7930 10.7930 11.3316 11.3316 k = 0.3929 0.5000-0.0000 ( 7208 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5829 -10.5829 2.1857 2.1857 2.1870 2.1870 5.4549 5.4549 5.6674 5.6674 7.3683 7.3683 7.5321 7.5321 7.6844 7.6844 8.0067 8.0067 8.1379 8.1379 8.3370 8.3370 8.5253 8.5253 8.9438 8.9438 9.0648 9.0648 9.5887 9.5887 10.0321 10.0321 10.4348 10.4348 10.4541 10.4541 10.5293 10.5293 10.5984 10.5984 10.8596 10.8596 11.2922 11.2922 k = 0.4107 0.5000-0.0000 ( 7208 PWs) bands (ev): -11.6233 -11.6233 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5835 -10.5835 -10.5829 -10.5829 2.1960 2.1960 2.1972 2.1972 5.4307 5.4307 5.6548 5.6548 7.4140 7.4140 7.5707 7.5707 7.6912 7.6912 8.0141 8.0141 8.1262 8.1262 8.2805 8.2805 8.4787 8.4787 8.9495 8.9495 9.0653 9.0653 9.6004 9.6004 10.0709 10.0709 10.4741 10.4741 10.4938 10.4938 10.5940 10.5940 10.6487 10.6487 10.9269 10.9269 11.2566 11.2566 k = 0.4286 0.5000-0.0000 ( 7216 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2047 2.2047 2.2058 2.2058 5.4104 5.4104 5.6443 5.6443 7.4562 7.4562 7.6035 7.6035 7.7021 7.7021 8.0204 8.0204 8.1164 8.1164 8.2266 8.2266 8.4365 8.4365 8.9544 8.9544 9.0657 9.0657 9.6095 9.6095 10.1052 10.1052 10.5090 10.5090 10.5289 10.5289 10.6573 10.6573 10.6990 10.6990 10.9921 10.9921 11.2257 11.2257 k = 0.4464 0.5000-0.0000 ( 7210 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2116 2.2116 2.2127 2.2127 5.3943 5.3943 5.6358 5.6358 7.4928 7.4928 7.6278 7.6278 7.7185 7.7185 8.0257 8.0257 8.1084 8.1084 8.1774 8.1774 8.4004 8.4004 8.9583 8.9583 9.0660 9.0660 9.6164 9.6164 10.1339 10.1339 10.5385 10.5385 10.5576 10.5576 10.7163 10.7163 10.7488 10.7488 11.0505 11.0505 11.2016 11.2023 k = 0.4643 0.5000-0.0000 ( 7208 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2166 2.2166 2.2177 2.2177 5.3826 5.3826 5.6297 5.6297 7.5211 7.5211 7.6430 7.6430 7.7383 7.7383 8.0300 8.0300 8.1023 8.1023 8.1361 8.1361 8.3724 8.3724 8.9612 8.9612 9.0662 9.0662 9.6211 9.6211 10.1557 10.1557 10.5611 10.5611 10.5791 10.5791 10.7656 10.7656 10.7968 10.7968 11.0942 11.0942 11.1734 11.1734 k = 0.4821 0.5000-0.0000 ( 7204 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2197 2.2197 2.2208 2.2208 5.3755 5.3755 5.6260 5.6260 7.5390 7.5390 7.6512 7.6512 7.7550 7.7550 8.0328 8.0328 8.0983 8.0983 8.1077 8.1077 8.3545 8.3545 8.9629 8.9629 9.0663 9.0663 9.6239 9.6239 10.1693 10.1693 10.5753 10.5753 10.5925 10.5925 10.7991 10.7991 10.8364 10.8364 11.1132 11.1132 11.1367 11.1367 k = 0.5000 0.5000-0.0000 ( 7184 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2207 2.2207 2.2218 2.2218 5.3732 5.3732 5.6247 5.6247 7.5451 7.5451 7.6538 7.6538 7.7617 7.7617 8.0338 8.0338 8.0958 8.0958 8.0984 8.0984 8.3484 8.3484 8.9635 8.9635 9.0663 9.0663 9.6248 9.6248 10.1739 10.1739 10.5800 10.5800 10.5971 10.5971 10.8113 10.8113 10.8527 10.8527 11.1115 11.1115 11.1266 11.1266 k = 0.5000 0.5000-0.0000 ( 7184 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2207 2.2207 2.2218 2.2218 5.3732 5.3732 5.6247 5.6247 7.5451 7.5451 7.6538 7.6538 7.7617 7.7617 8.0338 8.0338 8.0958 8.0958 8.0984 8.0984 8.3484 8.3484 8.9635 8.9635 9.0663 9.0663 9.6248 9.6248 10.1739 10.1739 10.5800 10.5800 10.5971 10.5971 10.8113 10.8113 10.8527 10.8527 11.1115 11.1115 11.1266 11.1266 k = 0.4875 0.4875-0.0000 ( 7204 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2189 2.2189 2.2216 2.2216 5.3755 5.3755 5.6260 5.6260 7.5391 7.5391 7.6512 7.6512 7.7552 7.7552 8.0328 8.0328 8.0972 8.0972 8.1085 8.1085 8.3544 8.3544 8.9629 8.9629 9.0663 9.0663 9.6239 9.6239 10.1694 10.1694 10.5753 10.5753 10.5926 10.5926 10.7994 10.7994 10.8366 10.8366 11.1139 11.1139 11.1366 11.1367 k = 0.4750 0.4750-0.0000 ( 7212 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2124 2.2124 2.2221 2.2221 5.3825 5.3825 5.6296 5.6296 7.5218 7.5218 7.6433 7.6433 7.7386 7.7386 8.0300 8.0300 8.0980 8.0980 8.1391 8.1391 8.3720 8.3720 8.9612 8.9612 9.0662 9.0662 9.6211 9.6211 10.1560 10.1560 10.5614 10.5614 10.5792 10.5792 10.7670 10.7670 10.7972 10.7972 11.1052 11.1052 11.1735 11.1735 k = 0.4625 0.4625-0.0000 ( 7221 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2016 2.2016 2.2231 2.2231 5.3940 5.3940 5.6358 5.6358 7.4948 7.4948 7.6294 7.6294 7.7182 7.7182 8.0255 8.0255 8.0990 8.0990 8.1832 8.1832 8.3995 8.3995 8.9585 8.9585 9.0660 9.0660 9.6163 9.6163 10.1347 10.1347 10.5391 10.5391 10.5573 10.5573 10.7203 10.7203 10.7481 10.7481 11.0853 11.0853 11.1638 11.1638 k = 0.4500 0.4500-0.0000 ( 7211 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.1865 2.1865 2.2245 2.2245 5.4100 5.4100 5.6444 5.6444 7.4607 7.4607 7.6081 7.6081 7.6993 7.6993 8.0195 8.0195 8.1002 8.1002 8.2355 8.2355 8.4350 8.4350 8.9550 8.9550 9.0657 9.0657 9.6092 9.6092 10.1067 10.1067 10.5091 10.5091 10.5277 10.5277 10.6646 10.6646 10.6968 10.6968 11.0550 11.0550 11.1534 11.1534 k = 0.4375 0.4375-0.0000 ( 7199 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.1675 2.1675 2.2263 2.2263 5.4304 5.4304 5.6556 5.6556 7.4219 7.4219 7.5796 7.5796 7.6842 7.6842 8.0120 8.0120 8.1015 8.1015 8.2921 8.2921 8.4763 8.4763 8.9508 8.9508 9.0653 9.0653 9.5993 9.5993 10.0736 10.0736 10.4699 10.4699 10.4942 10.4942 10.6044 10.6044 10.6453 10.6453 11.0153 11.0153 11.1492 11.1492 k = 0.4250 0.4250-0.0000 ( 7199 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5828 -10.5828 2.1448 2.1448 2.2285 2.2285 5.4551 5.4551 5.6693 5.6693 7.3807 7.3807 7.5461 7.5461 7.6719 7.6719 8.0029 8.0029 8.1024 8.1024 8.3501 8.3501 8.5215 8.5215 8.9465 8.9465 9.0647 9.0647 9.5864 9.5864 10.0372 10.0372 10.4194 10.4194 10.4614 10.4614 10.5428 10.5428 10.5942 10.5942 10.9684 10.9684 11.1524 11.1524 k = 0.4125 0.4125-0.0000 ( 7185 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6211 -11.6211 -11.6210 -11.6210 -10.5963 -10.5963 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5828 -10.5828 2.1185 2.1185 2.2311 2.2311 5.4838 5.4838 5.6856 5.6856 7.3387 7.3387 7.5097 7.5097 7.6613 7.6613 7.9922 7.9922 8.1029 8.1029 8.4072 8.4072 8.5685 8.5685 8.9427 8.9427 9.0640 9.0640 9.5701 9.5701 9.9996 9.9996 10.3591 10.3591 10.4308 10.4308 10.4813 10.4813 10.5440 10.5440 10.9167 10.9167 11.1631 11.1631 k = 0.4000 0.4000-0.0000 ( 7189 PWs) bands (ev): -11.6231 -11.6231 -11.6227 -11.6227 -11.6211 -11.6211 -11.6210 -11.6210 -10.5962 -10.5962 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5827 -10.5827 2.0890 2.0890 2.2341 2.2341 5.5164 5.5164 5.7045 5.7045 7.2971 7.2971 7.4720 7.4720 7.6511 7.6511 7.9798 7.9798 8.1027 8.1027 8.4614 8.4614 8.6154 8.6154 8.9405 8.9405 9.0631 9.0631 9.5502 9.5502 9.9626 9.9626 10.2915 10.2915 10.4021 10.4021 10.4214 10.4214 10.4950 10.4950 10.8622 10.8622 11.1809 11.1809 k = 0.3875 0.3875-0.0000 ( 7193 PWs) bands (ev): -11.6231 -11.6231 -11.6227 -11.6227 -11.6211 -11.6211 -11.6210 -11.6210 -10.5962 -10.5962 -10.5939 -10.5939 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5826 -10.5826 2.0567 2.0567 2.2376 2.2376 5.5527 5.5527 5.7261 5.7261 7.2567 7.2567 7.4339 7.4339 7.6409 7.6409 7.9658 7.9658 8.1015 8.1015 8.5104 8.5104 8.6594 8.6594 8.9416 8.9416 9.0619 9.0619 9.5266 9.5266 9.9281 9.9281 10.2192 10.2192 10.3592 10.3592 10.3800 10.3800 10.4477 10.4477 10.8066 10.8066 11.2050 11.2050 k = 0.3750 0.3750-0.0000 ( 7197 PWs) bands (ev): -11.6230 -11.6230 -11.6226 -11.6226 -11.6211 -11.6211 -11.6210 -11.6210 -10.5961 -10.5961 -10.5939 -10.5939 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5825 -10.5825 2.0218 2.0218 2.2414 2.2414 5.5925 5.5925 5.7505 5.7505 7.2181 7.2181 7.3961 7.3961 7.6303 7.6303 7.9500 7.9500 8.0990 8.0990 8.5524 8.5524 8.6973 8.6973 8.9487 8.9487 9.0602 9.0602 9.4994 9.4994 9.8970 9.8970 10.1454 10.1454 10.3024 10.3024 10.3568 10.3568 10.4021 10.4021 10.7517 10.7517 11.2348 11.2348 k = 0.3625 0.3625-0.0000 ( 7189 PWs) bands (ev): -11.6230 -11.6230 -11.6226 -11.6226 -11.6211 -11.6211 -11.6210 -11.6210 -10.5960 -10.5960 -10.5939 -10.5939 -10.5936 -10.5936 -10.5925 -10.5925 -10.5834 -10.5834 -10.5824 -10.5824 1.9846 1.9846 2.2456 2.2456 5.6354 5.6354 5.7776 5.7776 7.1816 7.1816 7.3590 7.3590 7.6191 7.6191 7.9322 7.9322 8.0951 8.0951 8.5854 8.5854 8.7256 8.7256 8.9648 8.9648 9.0581 9.0581 9.4689 9.4689 9.8678 9.8678 10.0751 10.0751 10.2470 10.2470 10.3361 10.3361 10.3586 10.3586 10.6990 10.6990 11.2696 11.2696 k = 0.3500 0.3500-0.0000 ( 7205 PWs) bands (ev): -11.6229 -11.6229 -11.6226 -11.6226 -11.6211 -11.6211 -11.6210 -11.6210 -10.5959 -10.5959 -10.5939 -10.5939 -10.5936 -10.5936 -10.5926 -10.5926 -10.5834 -10.5834 -10.5823 -10.5823 1.9455 1.9455 2.2502 2.2502 5.6813 5.6813 5.8077 5.8077 7.1476 7.1476 7.3228 7.3228 7.6074 7.6074 7.9124 7.9124 8.0896 8.0896 8.6079 8.6079 8.7422 8.7422 8.9913 8.9913 9.0553 9.0553 9.4356 9.4356 9.8341 9.8341 10.0176 10.0177 10.1938 10.1938 10.3135 10.3135 10.3199 10.3199 10.6503 10.6503 11.3090 11.3090 k = 0.3375 0.3375-0.0000 ( 7219 PWs) bands (ev): -11.6229 -11.6229 -11.6225 -11.6225 -11.6211 -11.6211 -11.6210 -11.6210 -10.5958 -10.5958 -10.5939 -10.5939 -10.5936 -10.5936 -10.5926 -10.5926 -10.5834 -10.5834 -10.5821 -10.5821 1.9049 1.9049 2.2552 2.2552 5.7297 5.7297 5.8407 5.8407 7.1161 7.1161 7.2879 7.2879 7.5950 7.5950 7.8904 7.8904 8.0825 8.0825 8.6193 8.6193 8.7480 8.7480 9.0268 9.0268 9.0520 9.0520 9.4000 9.4000 9.7849 9.7849 9.9859 9.9859 10.1429 10.1429 10.2764 10.2764 10.2970 10.2970 10.6073 10.6073 11.3524 11.3524 k = 0.3250 0.3250-0.0000 ( 7215 PWs) bands (ev): -11.6228 -11.6228 -11.6225 -11.6225 -11.6211 -11.6211 -11.6210 -11.6210 -10.5957 -10.5957 -10.5939 -10.5939 -10.5936 -10.5936 -10.5926 -10.5926 -10.5834 -10.5834 -10.5820 -10.5820 1.8630 1.8630 2.2606 2.2606 5.7803 5.7803 5.8768 5.8768 7.0874 7.0874 7.2544 7.2544 7.5820 7.5820 7.8661 7.8661 8.0736 8.0736 8.6198 8.6198 8.7458 8.7458 9.0460 9.0460 9.0698 9.0698 9.3628 9.3628 9.7178 9.7178 9.9829 9.9829 10.0948 10.0948 10.2393 10.2393 10.2740 10.2740 10.5715 10.5715 11.3995 11.3995 k = 0.3125 0.3125-0.0000 ( 7195 PWs) bands (ev): -11.6227 -11.6227 -11.6224 -11.6224 -11.6211 -11.6211 -11.6210 -11.6210 -10.5956 -10.5956 -10.5939 -10.5939 -10.5936 -10.5936 -10.5927 -10.5927 -10.5834 -10.5834 -10.5818 -10.5818 1.8202 1.8202 2.2664 2.2664 5.8326 5.8326 5.9163 5.9163 7.0615 7.0615 7.2223 7.2223 7.5683 7.5683 7.8392 7.8392 8.0630 8.0630 8.6103 8.6103 8.7386 8.7386 9.0403 9.0403 9.1139 9.1139 9.3245 9.3245 9.6400 9.6400 10.0007 10.0007 10.0498 10.0498 10.2042 10.2042 10.2478 10.2478 10.5438 10.5438 11.4500 11.4500 k = 0.3000 0.3000-0.0000 ( 7189 PWs) bands (ev): -11.6226 -11.6226 -11.6223 -11.6223 -11.6211 -11.6211 -11.6210 -11.6210 -10.5955 -10.5955 -10.5939 -10.5939 -10.5936 -10.5936 -10.5927 -10.5927 -10.5834 -10.5834 -10.5816 -10.5816 1.7767 1.7767 2.2725 2.2725 5.8860 5.8860 5.9595 5.9595 7.0383 7.0383 7.1919 7.1919 7.5540 7.5540 7.8098 7.8098 8.0509 8.0509 8.5928 8.5928 8.7281 8.7281 9.0326 9.0326 9.1588 9.1588 9.2855 9.2855 9.5576 9.5576 10.0062 10.0062 10.0338 10.0338 10.1714 10.1714 10.2183 10.2183 10.5240 10.5240 11.5039 11.5039 k = 0.2875 0.2875-0.0000 ( 7175 PWs) bands (ev): -11.6226 -11.6226 -11.6223 -11.6223 -11.6211 -11.6211 -11.6209 -11.6209 -10.5954 -10.5954 -10.5939 -10.5939 -10.5936 -10.5936 -10.5927 -10.5927 -10.5834 -10.5834 -10.5815 -10.5815 1.7330 1.7330 2.2789 2.2789 5.9397 5.9397 6.0068 6.0068 7.0180 7.0180 7.1632 7.1632 7.5392 7.5392 7.7777 7.7777 8.0373 8.0373 8.5691 8.5691 8.7156 8.7156 9.0229 9.0229 9.2023 9.2023 9.2467 9.2467 9.4737 9.4737 9.9682 9.9682 10.0735 10.0735 10.1407 10.1407 10.1865 10.1865 10.5112 10.5112 11.5608 11.5608 k = 0.2750 0.2750-0.0000 ( 7183 PWs) bands (ev): -11.6225 -11.6225 -11.6222 -11.6222 -11.6211 -11.6211 -11.6209 -11.6209 -10.5953 -10.5953 -10.5939 -10.5939 -10.5935 -10.5935 -10.5927 -10.5927 -10.5834 -10.5834 -10.5813 -10.5813 1.6892 1.6892 2.2856 2.2856 5.9931 5.9931 6.0584 6.0584 7.0003 7.0003 7.1362 7.1362 7.5238 7.5238 7.7429 7.7429 8.0224 8.0224 8.5412 8.5412 8.7019 8.7019 9.0109 9.0109 9.2073 9.2073 9.2440 9.2440 9.3899 9.3899 9.9335 9.9335 10.1121 10.1121 10.1180 10.1180 10.1546 10.1546 10.5036 10.5036 11.6209 11.6209 k = 0.2625 0.2625-0.0000 ( 7175 PWs) bands (ev): -11.6224 -11.6224 -11.6222 -11.6222 -11.6210 -11.6210 -11.6209 -11.6209 -10.5952 -10.5952 -10.5939 -10.5939 -10.5935 -10.5935 -10.5927 -10.5927 -10.5834 -10.5834 -10.5811 -10.5811 1.6457 1.6457 2.2926 2.2926 6.0460 6.0460 6.1142 6.1142 6.9853 6.9853 7.1111 7.1111 7.5078 7.5078 7.7058 7.7058 8.0065 8.0065 8.5109 8.5109 8.6875 8.6875 8.9962 8.9962 9.1695 9.1695 9.2806 9.2806 9.3076 9.3076 9.9029 9.9029 10.0858 10.0858 10.1185 10.1185 10.1694 10.1694 10.4997 10.4997 11.6840 11.6840 k = 0.2500 0.2500-0.0000 ( 7179 PWs) bands (ev): -11.6224 -11.6224 -11.6221 -11.6221 -11.6210 -11.6210 -11.6209 -11.6209 -10.5951 -10.5951 -10.5939 -10.5939 -10.5935 -10.5935 -10.5928 -10.5928 -10.5834 -10.5834 -10.5809 -10.5809 1.6026 1.6026 2.2998 2.2998 6.0987 6.0987 6.1735 6.1735 6.9725 6.9725 7.0880 7.0880 7.4913 7.4913 7.6666 7.6666 7.9900 7.9900 8.4794 8.4794 8.6728 8.6728 8.9785 8.9785 9.1323 9.1323 9.2258 9.2258 9.3140 9.3140 9.8770 9.8770 10.0614 10.0614 10.0878 10.0878 10.2171 10.2171 10.4982 10.4982 11.7502 11.7502 k = 0.2375 0.2375-0.0000 ( 7177 PWs) bands (ev): -11.6223 -11.6223 -11.6221 -11.6221 -11.6210 -11.6210 -11.6208 -11.6208 -10.5950 -10.5950 -10.5939 -10.5939 -10.5935 -10.5935 -10.5928 -10.5928 -10.5835 -10.5835 -10.5807 -10.5807 1.5603 1.5603 2.3073 2.3073 6.1514 6.1514 6.2354 6.2354 6.9619 6.9619 7.0671 7.0671 7.4740 7.4740 7.6260 7.6260 7.9730 7.9730 8.4476 8.4476 8.6580 8.6580 8.9577 8.9577 9.0956 9.0956 9.1479 9.1479 9.3409 9.3409 9.8563 9.8563 10.0389 10.0389 10.0586 10.0586 10.2636 10.2636 10.4982 10.4982 11.8195 11.8195 k = 0.2250 0.2250-0.0000 ( 7181 PWs) bands (ev): -11.6223 -11.6223 -11.6221 -11.6221 -11.6210 -11.6210 -11.6208 -11.6208 -10.5949 -10.5949 -10.5939 -10.5939 -10.5935 -10.5935 -10.5928 -10.5928 -10.5835 -10.5835 -10.5806 -10.5806 1.5189 1.5189 2.3149 2.3149 6.2045 6.2045 6.2993 6.2993 6.9530 6.9530 7.0486 7.0486 7.4557 7.4557 7.5849 7.5849 7.9561 7.9561 8.4161 8.4161 8.6434 8.6434 8.9337 8.9337 9.0554 9.0554 9.0774 9.0774 9.3615 9.3615 9.8411 9.8411 10.0182 10.0182 10.0320 10.0320 10.3071 10.3071 10.4988 10.4988 11.8918 11.8918 k = 0.2125 0.2125-0.0000 ( 7177 PWs) bands (ev): -11.6222 -11.6222 -11.6220 -11.6220 -11.6209 -11.6209 -11.6208 -11.6208 -10.5948 -10.5948 -10.5940 -10.5940 -10.5934 -10.5934 -10.5928 -10.5928 -10.5835 -10.5835 -10.5804 -10.5804 1.4786 1.4786 2.3226 2.3226 6.2579 6.2579 6.3644 6.3644 6.9452 6.9452 7.0329 7.0329 7.4358 7.4358 7.5446 7.5446 7.9394 7.9394 8.3850 8.3850 8.6291 8.6291 8.9070 8.9070 8.9934 8.9934 9.0330 9.0330 9.3757 9.3757 9.8312 9.8312 9.9989 9.9989 10.0086 10.0086 10.3464 10.3464 10.4997 10.4997 11.9670 11.9670 k = 0.2000 0.2000-0.0000 ( 7183 PWs) bands (ev): -11.6222 -11.6222 -11.6220 -11.6220 -11.6209 -11.6209 -11.6207 -11.6207 -10.5948 -10.5948 -10.5940 -10.5940 -10.5934 -10.5934 -10.5928 -10.5928 -10.5835 -10.5835 -10.5802 -10.5802 1.4397 1.4397 2.3304 2.3304 6.3114 6.3114 6.4303 6.4303 6.9379 6.9379 7.0204 7.0204 7.4132 7.4132 7.5072 7.5072 7.9234 7.9234 8.3542 8.3542 8.6152 8.6152 8.8778 8.8778 8.9260 8.9260 8.9984 8.9984 9.3836 9.3836 9.8265 9.8265 9.9807 9.9807 9.9887 9.9887 10.3807 10.3807 10.5004 10.5004 12.0448 12.0448 k = 0.1875 0.1875-0.0000 ( 7173 PWs) bands (ev): -11.6222 -11.6222 -11.6220 -11.6220 -11.6208 -11.6208 -11.6207 -11.6207 -10.5947 -10.5947 -10.5940 -10.5940 -10.5934 -10.5934 -10.5929 -10.5929 -10.5835 -10.5835 -10.5800 -10.5800 1.4024 1.4024 2.3382 2.3382 6.3646 6.3646 6.4965 6.4965 6.9304 6.9304 7.0113 7.0113 7.3868 7.3868 7.4748 7.4748 7.9085 7.9085 8.3232 8.3232 8.6020 8.6020 8.8468 8.8468 8.8624 8.8624 8.9648 8.9648 9.3860 9.3860 9.8260 9.8260 9.9636 9.9636 9.9720 9.9720 10.4097 10.4097 10.5006 10.5006 12.1246 12.1246 k = 0.1750 0.1750-0.0000 ( 7181 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6208 -11.6208 -11.6206 -11.6206 -10.5946 -10.5946 -10.5940 -10.5940 -10.5933 -10.5933 -10.5929 -10.5929 -10.5835 -10.5835 -10.5799 -10.5799 1.3667 1.3667 2.3460 2.3460 6.4171 6.4171 6.5629 6.5629 6.9225 6.9225 7.0057 7.0057 7.3565 7.3565 7.4485 7.4485 7.8949 7.8949 8.2916 8.2916 8.5893 8.5893 8.8021 8.8021 8.8163 8.8163 8.9309 8.9309 9.3837 9.3837 9.8287 9.8287 9.9484 9.9484 9.9579 9.9579 10.4333 10.4333 10.5003 10.5003 12.2053 12.2053 k = 0.1625 0.1625-0.0000 ( 7173 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6207 -11.6207 -11.6206 -11.6206 -10.5945 -10.5945 -10.5940 -10.5940 -10.5933 -10.5933 -10.5929 -10.5929 -10.5835 -10.5835 -10.5797 -10.5797 1.3328 1.3328 2.3536 2.3536 6.4682 6.4682 6.6288 6.6288 6.9143 6.9143 7.0027 7.0027 7.3244 7.3244 7.4278 7.4278 7.8830 7.8830 8.2589 8.2589 8.5774 8.5774 8.7489 8.7489 8.7838 8.7838 8.8962 8.8962 9.3781 9.3781 9.8334 9.8334 9.9351 9.9351 9.9455 9.9455 10.4517 10.4517 10.4994 10.4994 12.1891 12.1891 k = 0.1500 0.1500-0.0000 ( 7173 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6207 -11.6207 -11.6206 -11.6206 -10.5945 -10.5945 -10.5941 -10.5941 -10.5932 -10.5932 -10.5929 -10.5929 -10.5835 -10.5835 -10.5795 -10.5795 1.3010 1.3010 2.3611 2.3611 6.5172 6.5172 6.6940 6.6940 6.9060 6.9060 7.0014 7.0014 7.2933 7.2933 7.4110 7.4110 7.8729 7.8729 8.2246 8.2246 8.5663 8.5663 8.7016 8.7016 8.7518 8.7518 8.8606 8.8606 9.3702 9.3702 9.8391 9.8391 9.9238 9.9238 9.9347 9.9347 10.4652 10.4652 10.4978 10.4978 12.1007 12.1007 k = 0.1375 0.1375-0.0000 ( 7173 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.6206 -11.6206 -11.6205 -11.6205 -10.5944 -10.5944 -10.5941 -10.5941 -10.5932 -10.5932 -10.5929 -10.5929 -10.5835 -10.5835 -10.5794 -10.5794 1.2712 1.2712 2.3684 2.3684 6.5633 6.5633 6.7580 6.7580 6.8983 6.8983 7.0002 7.0002 7.2663 7.2663 7.3972 7.3972 7.8649 7.8649 8.1884 8.1884 8.5561 8.5561 8.6605 8.6605 8.7202 8.7202 8.8240 8.8240 9.3608 9.3608 9.8451 9.8451 9.9143 9.9143 9.9253 9.9253 10.4745 10.4745 10.4957 10.4957 12.0149 12.0149 k = 0.1250 0.1250-0.0000 ( 7179 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6206 -11.6206 -11.6205 -11.6205 -10.5944 -10.5944 -10.5941 -10.5941 -10.5931 -10.5931 -10.5929 -10.5929 -10.5835 -10.5835 -10.5793 -10.5793 1.2437 1.2437 2.3753 2.3753 6.6054 6.6054 6.8200 6.8200 6.8916 6.8916 6.9976 6.9976 7.2456 7.2456 7.3857 7.3857 7.8591 7.8591 8.1506 8.1506 8.5467 8.5467 8.6257 8.6257 8.6895 8.6895 8.7865 8.7865 9.3509 9.3509 9.8507 9.8507 9.9065 9.9065 9.9172 9.9172 10.4801 10.4801 10.4930 10.4930 11.9333 11.9333 k = 0.1125 0.1125-0.0000 ( 7159 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6205 -11.6205 -11.6204 -11.6204 -10.5944 -10.5944 -10.5941 -10.5941 -10.5931 -10.5931 -10.5929 -10.5929 -10.5835 -10.5835 -10.5791 -10.5791 1.2185 1.2185 2.3818 2.3818 6.6427 6.6427 6.8789 6.8789 6.8867 6.8867 6.9926 6.9926 7.2334 7.2334 7.3763 7.3763 7.8554 7.8554 8.1115 8.1115 8.5381 8.5381 8.5969 8.5969 8.6600 8.6600 8.7484 8.7484 9.3408 9.3408 9.8556 9.8556 9.9000 9.9000 9.9103 9.9103 10.4826 10.4826 10.4900 10.4900 11.8570 11.8570 k = 0.1000 0.1000-0.0000 ( 7151 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6205 -11.6205 -11.6204 -11.6204 -10.5943 -10.5943 -10.5941 -10.5941 -10.5930 -10.5930 -10.5929 -10.5929 -10.5835 -10.5835 -10.5790 -10.5790 1.1957 1.1957 2.3879 2.3879 6.6741 6.6741 6.8839 6.8839 6.9328 6.9328 6.9855 6.9855 7.2308 7.2308 7.3690 7.3690 7.8537 7.8537 8.0718 8.0718 8.5304 8.5304 8.5734 8.5734 8.6319 8.6319 8.7103 8.7103 9.3311 9.3311 9.8594 9.8594 9.8948 9.8948 9.9043 9.9043 10.4827 10.4827 10.4867 10.4867 11.7868 11.7868 k = 0.0875 0.0875-0.0000 ( 7139 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6204 -11.6204 -11.6204 -11.6204 -10.5943 -10.5943 -10.5942 -10.5942 -10.5930 -10.5930 -10.5928 -10.5928 -10.5835 -10.5835 -10.5789 -10.5789 1.1754 1.1754 2.3934 2.3934 6.6989 6.6989 6.8840 6.8840 6.9649 6.9649 6.9923 6.9923 7.2376 7.2376 7.3638 7.3638 7.8537 7.8537 8.0325 8.0325 8.5236 8.5236 8.5546 8.5546 8.6056 8.6056 8.6727 8.6727 9.3220 9.3220 9.8621 9.8621 9.8909 9.8909 9.8993 9.8993 10.4809 10.4809 10.4835 10.4835 11.7234 11.7234 k = 0.0750 0.0750-0.0000 ( 7135 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6204 -11.6204 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5834 -10.5834 -10.5788 -10.5788 1.1577 1.1577 2.3984 2.3984 6.7166 6.7166 6.8871 6.8871 6.9575 6.9575 7.0302 7.0302 7.2529 7.2529 7.3607 7.3607 7.8549 7.8549 7.9945 7.9945 8.5176 8.5176 8.5399 8.5399 8.5815 8.5815 8.6367 8.6367 9.3138 9.3138 9.8636 9.8636 9.8881 9.8881 9.8952 9.8952 10.4782 10.4782 10.4803 10.4803 11.6674 11.6674 k = 0.0625 0.0625-0.0000 ( 7125 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5834 -10.5834 -10.5787 -10.5787 1.1425 1.1425 2.4027 2.4027 6.7279 6.7279 6.8927 6.8927 6.9465 6.9465 7.0637 7.0637 7.2749 7.2749 7.3597 7.3597 7.8568 7.8568 7.9591 7.9591 8.5124 8.5124 8.5284 8.5284 8.5600 8.5600 8.6031 8.6031 9.3067 9.3067 9.8641 9.8641 9.8864 9.8864 9.8918 9.8918 10.4751 10.4751 10.4769 10.4769 11.6193 11.6193 k = 0.0500 0.0500-0.0000 ( 7125 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5835 -10.5835 -10.5787 -10.5787 1.1301 1.1301 2.4063 2.4063 6.7341 6.7341 6.8995 6.8995 6.9362 6.9362 7.0893 7.0893 7.3005 7.3005 7.3603 7.3603 7.8589 7.8589 7.9274 7.9274 8.5080 8.5080 8.5196 8.5196 8.5418 8.5418 8.5731 8.5731 9.3007 9.3007 9.8639 9.8639 9.8854 9.8854 9.8891 9.8891 10.4723 10.4723 10.4737 10.4737 11.5795 11.5795 k = 0.0375 0.0375-0.0000 ( 7131 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1204 1.1204 2.4091 2.4091 6.7369 6.7369 6.9063 6.9063 6.9278 6.9278 7.1075 7.1075 7.3260 7.3260 7.3621 7.3621 7.8608 7.8608 7.9007 7.9007 8.5043 8.5043 8.5124 8.5124 8.5278 8.5278 8.5481 8.5481 9.2960 9.2960 9.8634 9.8634 9.8849 9.8849 9.8871 9.8871 10.4698 10.4698 10.4708 10.4708 11.5482 11.5482 k = 0.0250 0.0250-0.0000 ( 7125 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1135 1.1135 2.4112 2.4112 6.7378 6.7378 6.9118 6.9118 6.9217 6.9217 7.1195 7.1195 7.3475 7.3475 7.3644 7.3644 7.8621 7.8621 7.8803 7.8803 8.5017 8.5017 8.5061 8.5061 8.5188 8.5188 8.5291 8.5291 9.2926 9.2926 9.8628 9.8628 9.8846 9.8846 9.8856 9.8856 10.4680 10.4680 10.4685 10.4685 11.5257 11.5257 k = 0.0125 0.0125-0.0000 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5785 -10.5785 1.1093 1.1093 2.4124 2.4124 6.7379 6.7379 6.9154 6.9154 6.9179 6.9179 7.1263 7.1263 7.3619 7.3619 7.3662 7.3662 7.8629 7.8629 7.8675 7.8675 8.5000 8.5000 8.5013 8.5013 8.5145 8.5145 8.5173 8.5173 9.2905 9.2905 9.8624 9.8624 9.8845 9.8845 9.8848 9.8848 10.4669 10.4669 10.4670 10.4670 11.5122 11.5122 k = 0.0000 0.0000 0.0000 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5834 -10.5834 -10.5785 -10.5785 1.1079 1.1079 2.4129 2.4129 6.7379 6.7379 6.9167 6.9167 6.9167 6.9167 7.1285 7.1285 7.3669 7.3669 7.3669 7.3669 7.8631 7.8631 7.8631 7.8631 8.4994 8.4994 8.4994 8.4994 8.5133 8.5133 8.5133 8.5133 9.2898 9.2898 9.8623 9.8623 9.8845 9.8845 9.8845 9.8845 10.4665 10.4665 10.4665 10.4665 11.5077 11.5077 k = 0.0000 0.0000 0.0000 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5834 -10.5834 -10.5785 -10.5785 1.1079 1.1079 2.4129 2.4129 6.7379 6.7379 6.9167 6.9167 6.9167 6.9167 7.1285 7.1285 7.3669 7.3669 7.3669 7.3669 7.8631 7.8631 7.8631 7.8631 8.4994 8.4994 8.4994 8.4994 8.5133 8.5133 8.5133 8.5133 9.2898 9.2898 9.8623 9.8623 9.8845 9.8845 9.8845 9.8845 10.4665 10.4665 10.4665 10.4665 11.5077 11.5077 k = 0.0102 0.0102 0.0102 ( 7123 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5785 -10.5785 1.1093 1.1093 2.4124 2.4124 6.7379 6.7379 6.9153 6.9153 6.9181 6.9181 7.1263 7.1263 7.3625 7.3625 7.3655 7.3655 7.8651 7.8651 7.8653 7.8653 8.5000 8.5000 8.5013 8.5013 8.5145 8.5145 8.5173 8.5173 9.2905 9.2905 9.8624 9.8624 9.8845 9.8845 9.8848 9.8848 10.4669 10.4669 10.4670 10.4670 11.5122 11.5122 k = 0.0204 0.0204 0.0204 ( 7126 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6202 -11.6202 -11.6202 -11.6202 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1135 1.1135 2.4112 2.4112 6.7377 6.7377 6.9110 6.9110 6.9226 6.9226 7.1197 7.1197 7.3500 7.3500 7.3615 7.3615 7.8708 7.8708 7.8718 7.8718 8.5014 8.5014 8.5068 8.5068 8.5185 8.5185 8.5291 8.5291 9.2926 9.2926 9.8628 9.8628 9.8846 9.8846 9.8857 9.8857 10.4681 10.4681 10.4684 10.4684 11.5257 11.5257 k = 0.0306 0.0306 0.0306 ( 7132 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5942 -10.5942 -10.5942 -10.5942 -10.5928 -10.5928 -10.5928 -10.5928 -10.5835 -10.5835 -10.5786 -10.5786 1.1204 1.1204 2.4092 2.4092 6.7367 6.7367 6.9038 6.9038 6.9307 6.9307 7.1084 7.1084 7.3306 7.3306 7.3554 7.3554 7.8799 7.8799 7.8820 7.8820 8.5031 8.5031 8.5161 8.5161 8.5258 8.5258 8.5480 8.5480 9.2960 9.2960 9.8634 9.8634 9.8847 9.8847 9.8873 9.8873 10.4700 10.4700 10.4706 10.4706 11.5481 11.5481 k = 0.0408 0.0408 0.0408 ( 7126 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5942 -10.5942 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5835 -10.5835 -10.5787 -10.5787 1.1301 1.1301 2.4063 2.4063 6.7340 6.7340 6.8935 6.8935 6.9431 6.9431 7.0920 7.0920 7.3067 7.3067 7.3480 7.3480 7.8919 7.8919 7.8953 7.8953 8.5049 8.5049 8.5291 8.5291 8.5369 8.5369 8.5729 8.5729 9.3007 9.3007 9.8641 9.8641 9.8849 9.8849 9.8898 9.8898 10.4725 10.4725 10.4735 10.4735 11.5792 11.5792 k = 0.0510 0.0510 0.0510 ( 7138 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6203 -11.6203 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5928 -10.5928 -10.5835 -10.5835 -10.5787 -10.5787 1.1425 1.1425 2.4028 2.4028 6.7286 6.7286 6.8803 6.8803 6.9605 6.9605 7.0696 7.0696 7.2811 7.2811 7.3402 7.3402 7.9063 7.9063 7.9109 7.9109 8.5069 8.5069 8.5458 8.5458 8.5516 8.5516 8.6027 8.6027 9.3066 9.3066 9.8647 9.8647 9.8851 9.8851 9.8933 9.8933 10.4754 10.4754 10.4769 10.4769 11.6187 11.6187 k = 0.0612 0.0612 0.0612 ( 7138 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6204 -11.6204 -11.6203 -11.6203 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5929 -10.5929 -10.5835 -10.5835 -10.5788 -10.5788 1.1577 1.1577 2.3987 2.3987 6.7199 6.7199 6.8641 6.8641 6.9830 6.9830 7.0401 7.0401 7.2568 7.2568 7.3327 7.3327 7.9226 7.9226 7.9283 7.9283 8.5091 8.5091 8.5664 8.5664 8.5701 8.5701 8.6363 8.6363 9.3138 9.3138 9.8651 9.8651 9.8853 9.8853 9.8981 9.8981 10.4784 10.4784 10.4806 10.4806 11.6662 11.6662 k = 0.0714 0.0714 0.0714 ( 7138 PWs) bands (ev): -11.6219 -11.6219 -11.6219 -11.6219 -11.6204 -11.6204 -11.6204 -11.6204 -10.5943 -10.5943 -10.5942 -10.5942 -10.5929 -10.5929 -10.5929 -10.5929 -10.5835 -10.5835 -10.5789 -10.5789 1.1754 1.1754 2.3940 2.3940 6.7078 6.7078 6.8449 6.8449 7.0018 7.0018 7.0123 7.0123 7.2360 7.2360 7.3261 7.3261 7.9402 7.9402 7.9469 7.9469 8.5118 8.5118 8.5906 8.5906 8.5921 8.5921 8.6726 8.6726 9.3220 9.3220 9.8653 9.8653 9.8855 9.8855 9.9042 9.9042 10.4812 10.4812 10.4842 10.4842 11.7214 11.7214 k = 0.0816 0.0816 0.0816 ( 7156 PWs) bands (ev): -11.6220 -11.6220 -11.6219 -11.6219 -11.6204 -11.6204 -11.6204 -11.6204 -10.5943 -10.5943 -10.5942 -10.5942 -10.5930 -10.5930 -10.5929 -10.5929 -10.5835 -10.5835 -10.5790 -10.5790 1.1957 1.1957 2.3888 2.3888 6.6924 6.6924 6.8231 6.8231 6.9585 6.9585 7.0442 7.0442 7.2200 7.2200 7.3208 7.3208 7.9588 7.9588 7.9662 7.9662 8.5150 8.5150 8.6178 8.6178 8.6184 8.6184 8.7107 8.7107 9.3311 9.3311 9.8653 9.8653 9.8857 9.8857 9.9119 9.9119 10.4835 10.4835 10.4873 10.4873 11.7838 11.7838 k = 0.0918 0.0918 0.0918 ( 7163 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6205 -11.6205 -11.6205 -11.6205 -10.5943 -10.5943 -10.5942 -10.5942 -10.5930 -10.5930 -10.5929 -10.5929 -10.5835 -10.5835 -10.5791 -10.5791 1.2186 1.2186 2.3833 2.3833 6.6739 6.6739 6.7989 6.7989 6.9083 6.9083 7.0811 7.0811 7.2092 7.2092 7.3170 7.3170 7.9782 7.9782 7.9861 7.9861 8.5188 8.5188 8.6470 8.6470 8.6497 8.6497 8.7499 8.7499 9.3412 9.3412 9.8651 9.8651 9.8858 9.8858 9.9211 9.9211 10.4849 10.4849 10.4897 10.4897 11.8527 11.8527 k = 0.1020 0.1020 0.1020 ( 7160 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6205 -11.6205 -11.6205 -11.6205 -10.5943 -10.5943 -10.5942 -10.5942 -10.5931 -10.5931 -10.5929 -10.5929 -10.5835 -10.5835 -10.5793 -10.5793 1.2438 1.2438 2.3774 2.3774 6.6529 6.6529 6.7728 6.7728 6.8536 6.8536 7.1204 7.1204 7.2043 7.2043 7.3148 7.3148 7.9981 7.9981 8.0063 8.0063 8.5233 8.5233 8.6797 8.6797 8.6844 8.6844 8.7896 8.7896 9.3519 9.3519 9.8646 9.8646 9.8859 9.8859 9.9321 9.9321 10.4850 10.4850 10.4908 10.4908 11.9277 11.9277 k = 0.1122 0.1122 0.1122 ( 7178 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6206 -11.6206 -11.6206 -11.6206 -10.5944 -10.5944 -10.5942 -10.5942 -10.5931 -10.5931 -10.5929 -10.5929 -10.5835 -10.5835 -10.5794 -10.5794 1.2714 1.2714 2.3715 2.3715 6.6297 6.6297 6.7450 6.7450 6.7958 6.7958 7.1560 7.1560 7.2100 7.2100 7.3140 7.3140 8.0186 8.0186 8.0270 8.0270 8.5286 8.5286 8.7156 8.7156 8.7222 8.7222 8.8293 8.8293 9.3632 9.3632 9.8640 9.8640 9.8860 9.8860 9.9449 9.9449 10.4835 10.4835 10.4903 10.4903 12.0080 12.0080 k = 0.1224 0.1224 0.1224 ( 7172 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6206 -11.6206 -11.6206 -11.6206 -10.5944 -10.5944 -10.5942 -10.5942 -10.5932 -10.5932 -10.5929 -10.5929 -10.5835 -10.5835 -10.5795 -10.5795 1.3013 1.3013 2.3654 2.3654 6.6050 6.6050 6.7161 6.7161 6.7363 6.7363 7.1739 7.1739 7.2391 7.2391 7.3146 7.3146 8.0396 8.0396 8.0480 8.0480 8.5349 8.5349 8.7546 8.7546 8.7628 8.7628 8.8688 8.8688 9.3749 9.3749 9.8633 9.8633 9.8861 9.8861 9.9597 9.9597 10.4799 10.4799 10.4877 10.4877 12.0929 12.0929 k = 0.1327 0.1327 0.1327 ( 7163 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6207 -11.6207 -11.6207 -11.6207 -10.5944 -10.5944 -10.5942 -10.5942 -10.5932 -10.5932 -10.5929 -10.5929 -10.5835 -10.5835 -10.5797 -10.5797 1.3333 1.3333 2.3594 2.3594 6.5790 6.5790 6.6760 6.6760 6.6864 6.6864 7.1793 7.1793 7.2853 7.2853 7.3165 7.3165 8.0613 8.0613 8.0696 8.0696 8.5421 8.5421 8.7964 8.7964 8.8061 8.8061 8.9076 8.9076 9.3869 9.3869 9.8624 9.8624 9.8862 9.8862 9.9765 9.9765 10.4739 10.4739 10.4827 10.4827 12.1815 12.1815 k = 0.1429 0.1429 0.1429 ( 7172 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6208 -11.6208 -11.6208 -11.6208 -10.5944 -10.5944 -10.5942 -10.5942 -10.5932 -10.5932 -10.5930 -10.5930 -10.5835 -10.5835 -10.5799 -10.5799 1.3674 1.3674 2.3535 2.3535 6.5520 6.5520 6.6159 6.6159 6.6564 6.6564 7.1824 7.1824 7.3193 7.3193 7.3373 7.3373 8.0835 8.0835 8.0918 8.0918 8.5504 8.5504 8.8409 8.8409 8.8519 8.8519 8.9457 8.9457 9.3991 9.3991 9.8614 9.8614 9.8862 9.8862 9.9955 9.9955 10.4653 10.4653 10.4750 10.4750 12.2715 12.2715 k = 0.1531 0.1531 0.1531 ( 7178 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6208 -11.6208 -11.6208 -11.6208 -10.5945 -10.5945 -10.5942 -10.5942 -10.5933 -10.5933 -10.5930 -10.5930 -10.5835 -10.5835 -10.5801 -10.5801 1.4033 1.4033 2.3479 2.3479 6.5234 6.5234 6.5575 6.5575 6.6265 6.6265 7.1856 7.1856 7.3229 7.3229 7.3918 7.3918 8.1065 8.1065 8.1146 8.1146 8.5599 8.5599 8.8878 8.8878 8.8998 8.8998 8.9827 8.9827 9.4113 9.4113 9.8601 9.8601 9.8861 9.8861 10.0167 10.0167 10.4538 10.4538 10.4643 10.4643 12.2680 12.2680 k = 0.1633 0.1633 0.1633 ( 7178 PWs) bands (ev): -11.6220 -11.6220 -11.6220 -11.6220 -11.6209 -11.6209 -11.6209 -11.6209 -10.5945 -10.5945 -10.5942 -10.5942 -10.5933 -10.5933 -10.5930 -10.5930 -10.5835 -10.5835 -10.5802 -10.5802 1.4410 1.4410 2.3425 2.3425 6.4864 6.4864 6.5087 6.5087 6.5969 6.5969 7.1891 7.1891 7.3272 7.3272 7.4474 7.4474 8.1304 8.1304 8.1383 8.1383 8.5705 8.5705 8.9368 8.9368 8.9498 8.9498 9.0188 9.0188 9.4236 9.4236 9.8585 9.8585 9.8858 9.8858 10.0402 10.0402 10.4394 10.4394 10.4506 10.4506 12.1954 12.1954 k = 0.1735 0.1735 0.1735 ( 7178 PWs) bands (ev): -11.6221 -11.6221 -11.6221 -11.6221 -11.6210 -11.6210 -11.6209 -11.6209 -10.5945 -10.5945 -10.5942 -10.5942 -10.5933 -10.5933 -10.5930 -10.5930 -10.5836 -10.5836 -10.5804 -10.5804 1.4803 1.4803 2.3376 2.3376 6.4338 6.4338 6.4774 6.4774 6.5679 6.5679 7.1931 7.1931 7.3319 7.3319 7.5033 7.5033 8.1551 8.1551 8.1629 8.1629 8.5822 8.5822 8.9877 8.9877 9.0015 9.0015 9.0538 9.0538 9.4360 9.4360 9.8564 9.8564 9.8851 9.8851 10.0661 10.0661 10.4224 10.4224 10.4339 10.4339 12.1219 12.1219 k = 0.1837 0.1837 0.1837 ( 7175 PWs) bands (ev): -11.6221 -11.6221 -11.6221 -11.6221 -11.6210 -11.6210 -11.6210 -11.6210 -10.5946 -10.5946 -10.5943 -10.5943 -10.5933 -10.5933 -10.5930 -10.5930 -10.5836 -10.5836 -10.5806 -10.5806 1.5210 1.5210 2.3331 2.3331 6.3790 6.3790 6.4508 6.4508 6.5399 6.5399 7.1974 7.1974 7.3368 7.3368 7.5584 7.5584 8.1809 8.1809 8.1885 8.1885 8.5948 8.5948 9.0399 9.0399 9.0547 9.0547 9.0880 9.0880 9.4487 9.4487 9.8536 9.8536 9.8838 9.8838 10.0941 10.0941 10.4030 10.4030 10.4147 10.4147 12.0488 12.0488 k = 0.1939 0.1939 0.1939 ( 7181 PWs) bands (ev): -11.6221 -11.6221 -11.6221 -11.6221 -11.6211 -11.6211 -11.6211 -11.6211 -10.5946 -10.5946 -10.5943 -10.5943 -10.5933 -10.5933 -10.5930 -10.5930 -10.5836 -10.5836 -10.5808 -10.5808 1.5630 1.5630 2.3291 2.3291 6.3257 6.3257 6.4258 6.4258 6.5130 6.5130 7.2019 7.2019 7.3418 7.3418 7.6122 7.6122 8.2076 8.2076 8.2150 8.2150 8.6081 8.6081 9.0923 9.0923 9.1093 9.1093 9.1222 9.1222 9.4620 9.4620 9.8497 9.8497 9.8816 9.8816 10.1243 10.1243 10.3818 10.3818 10.3933 10.3933 11.9763 11.9763 k = 0.2041 0.2041 0.2041 ( 7181 PWs) bands (ev): -11.6221 -11.6221 -11.6221 -11.6221 -11.6212 -11.6212 -11.6212 -11.6212 -10.5946 -10.5946 -10.5943 -10.5943 -10.5933 -10.5933 -10.5930 -10.5930 -10.5836 -10.5836 -10.5810 -10.5810 1.6061 1.6061 2.3257 2.3257 6.2748 6.2748 6.4022 6.4022 6.4875 6.4875 7.2064 7.2064 7.3467 7.3467 7.6638 7.6638 8.2353 8.2353 8.2425 8.2425 8.6216 8.6216 9.1398 9.1398 9.1614 9.1614 9.1650 9.1650 9.4764 9.4764 9.8443 9.8443 9.8780 9.8780 10.1563 10.1563 10.3597 10.3597 10.3706 10.3706 11.9050 11.9050 k = 0.2143 0.2143 0.2143 ( 7175 PWs) bands (ev): -11.6221 -11.6221 -11.6221 -11.6221 -11.6212 -11.6212 -11.6212 -11.6212 -10.5947 -10.5947 -10.5944 -10.5944 -10.5933 -10.5933 -10.5930 -10.5930 -10.5837 -10.5837 -10.5812 -10.5812 1.6500 1.6500 2.3230 2.3230 6.2266 6.2266 6.3801 6.3801 6.4636 6.4636 7.2106 7.2106 7.3513 7.3513 7.7126 7.7126 8.2640 8.2640 8.2710 8.2710 8.6346 8.6346 9.1753 9.1753 9.2125 9.2125 9.2215 9.2215 9.4925 9.4925 9.8369 9.8369 9.8726 9.8726 10.1901 10.1901 10.3377 10.3377 10.3477 10.3477 11.8348 11.8348 k = 0.2245 0.2245 0.2245 ( 7181 PWs) bands (ev): -11.6222 -11.6222 -11.6222 -11.6222 -11.6213 -11.6213 -11.6213 -11.6213 -10.5947 -10.5947 -10.5944 -10.5944 -10.5933 -10.5933 -10.5930 -10.5930 -10.5837 -10.5837 -10.5814 -10.5814 1.6947 1.6947 2.3209 2.3209 6.1814 6.1814 6.3595 6.3595 6.4413 6.4413 7.2146 7.2146 7.3554 7.3554 7.7580 7.7580 8.2937 8.2937 8.3005 8.3005 8.6465 8.6465 9.2056 9.2056 9.2683 9.2683 9.2787 9.2787 9.5113 9.5113 9.8270 9.8270 9.8646 9.8646 10.2250 10.2250 10.3172 10.3172 10.3258 10.3258 11.7660 11.7660 k = 0.2347 0.2347 0.2347 ( 7190 PWs) bands (ev): -11.6222 -11.6222 -11.6222 -11.6222 -11.6214 -11.6214 -11.6213 -11.6213 -10.5948 -10.5948 -10.5945 -10.5945 -10.5933 -10.5933 -10.5930 -10.5930 -10.5837 -10.5837 -10.5816 -10.5816 1.7398 1.7398 2.3195 2.3195 6.1397 6.1397 6.3406 6.3406 6.4210 6.4210 7.2180 7.2180 7.3589 7.3589 7.7993 7.7993 8.3242 8.3242 8.3308 8.3308 8.6565 8.6565 9.2339 9.2339 9.3252 9.3252 9.3361 9.3361 9.5336 9.5336 9.8143 9.8143 9.8536 9.8536 10.2601 10.2601 10.3001 10.3001 10.3062 10.3062 11.6986 11.6986 k = 0.2449 0.2449 0.2449 ( 7199 PWs) bands (ev): -11.6222 -11.6222 -11.6222 -11.6222 -11.6214 -11.6214 -11.6214 -11.6214 -10.5948 -10.5948 -10.5945 -10.5945 -10.5934 -10.5934 -10.5930 -10.5930 -10.5838 -10.5838 -10.5818 -10.5818 1.7850 1.7850 2.3188 2.3188 6.1015 6.1015 6.3236 6.3236 6.4027 6.4027 7.2207 7.2207 7.3616 7.3616 7.8361 7.8361 8.3555 8.3555 8.3619 8.3619 8.6636 8.6636 9.2611 9.2611 9.3818 9.3818 9.3930 9.3930 9.5603 9.5603 9.7988 9.7988 9.8395 9.8395 10.2792 10.2792 10.2903 10.2903 10.3030 10.3030 11.6326 11.6326 k = 0.2551 0.2551 0.2551 ( 7187 PWs) bands (ev): -11.6223 -11.6223 -11.6222 -11.6222 -11.6215 -11.6215 -11.6215 -11.6215 -10.5948 -10.5948 -10.5946 -10.5946 -10.5934 -10.5934 -10.5930 -10.5930 -10.5838 -10.5838 -10.5820 -10.5820 1.8303 1.8303 2.3189 2.3189 6.0672 6.0672 6.3086 6.3086 6.3865 6.3865 7.2225 7.2225 7.3631 7.3631 7.8678 7.8678 8.3876 8.3876 8.3938 8.3938 8.6675 8.6675 9.2873 9.2873 9.4368 9.4368 9.4486 9.4486 9.5921 9.5921 9.7816 9.7816 9.8227 9.8227 10.2719 10.2719 10.2790 10.2790 10.3369 10.3369 11.5681 11.5681 k = 0.2653 0.2653 0.2653 ( 7184 PWs) bands (ev): -11.6223 -11.6223 -11.6223 -11.6223 -11.6216 -11.6216 -11.6215 -11.6215 -10.5948 -10.5948 -10.5946 -10.5946 -10.5933 -10.5933 -10.5931 -10.5931 -10.5838 -10.5838 -10.5822 -10.5822 1.8753 1.8753 2.3196 2.3196 6.0370 6.0370 6.2956 6.2956 6.3726 6.3726 7.2231 7.2231 7.3633 7.3633 7.8939 7.8939 8.4204 8.4204 8.4264 8.4264 8.6679 8.6679 9.3126 9.3126 9.4878 9.4878 9.5009 9.5009 9.6295 9.6295 9.7651 9.7651 9.8053 9.8053 10.2672 10.2672 10.2729 10.2729 10.3725 10.3725 11.5049 11.5049 k = 0.2755 0.2755 0.2755 ( 7190 PWs) bands (ev): -11.6223 -11.6223 -11.6223 -11.6223 -11.6216 -11.6216 -11.6216 -11.6216 -10.5949 -10.5949 -10.5947 -10.5947 -10.5934 -10.5934 -10.5931 -10.5931 -10.5839 -10.5839 -10.5823 -10.5823 1.9198 1.9198 2.3211 2.3211 6.0111 6.0111 6.2847 6.2847 6.3609 6.3609 7.2224 7.2224 7.3619 7.3619 7.9137 7.9137 8.4537 8.4537 8.4596 8.4596 8.6650 8.6650 9.3371 9.3371 9.5297 9.5297 9.5461 9.5461 9.6724 9.6724 9.7552 9.7552 9.7915 9.7915 10.2673 10.2673 10.2721 10.2721 10.4070 10.4070 11.4431 11.4431 k = 0.2857 0.2857 0.2857 ( 7196 PWs) bands (ev): -11.6223 -11.6223 -11.6223 -11.6223 -11.6217 -11.6217 -11.6217 -11.6217 -10.5949 -10.5949 -10.5947 -10.5947 -10.5933 -10.5933 -10.5931 -10.5931 -10.5839 -10.5839 -10.5825 -10.5825 1.9636 1.9636 2.3233 2.3233 5.9898 5.9898 6.2761 6.2761 6.3517 6.3517 7.2200 7.2200 7.3587 7.3587 7.9264 7.9264 8.4876 8.4876 8.4934 8.4934 8.6599 8.6599 9.3608 9.3608 9.5540 9.5540 9.5770 9.5770 9.7197 9.7197 9.7620 9.7620 9.7893 9.7893 10.2721 10.2721 10.2763 10.2763 10.4396 10.4396 11.3827 11.3827 k = 0.2959 0.2959 0.2959 ( 7196 PWs) bands (ev): -11.6224 -11.6224 -11.6223 -11.6223 -11.6218 -11.6218 -11.6217 -11.6217 -10.5949 -10.5949 -10.5948 -10.5948 -10.5934 -10.5934 -10.5931 -10.5931 -10.5840 -10.5840 -10.5827 -10.5827 2.0063 2.0063 2.3261 2.3261 5.9731 5.9731 6.2698 6.2698 6.3450 6.3450 7.2157 7.2157 7.3534 7.3534 7.9313 7.9313 8.5219 8.5219 8.5277 8.5277 8.6537 8.6537 9.3836 9.3836 9.5553 9.5553 9.5863 9.5863 9.7687 9.7687 9.7939 9.7939 9.8070 9.8070 10.2811 10.2811 10.2849 10.2849 10.4694 10.4694 11.3237 11.3237 k = 0.3061 0.3061 0.3061 ( 7196 PWs) bands (ev): -11.6224 -11.6224 -11.6224 -11.6224 -11.6218 -11.6218 -11.6218 -11.6218 -10.5949 -10.5949 -10.5948 -10.5948 -10.5934 -10.5934 -10.5932 -10.5932 -10.5840 -10.5840 -10.5829 -10.5829 2.0477 2.0477 2.3296 2.3296 5.9614 5.9614 6.2659 6.2659 6.3408 6.3408 7.2093 7.2093 7.3457 7.3457 7.9275 7.9275 8.5565 8.5565 8.5625 8.5625 8.6483 8.6483 9.4053 9.4053 9.5396 9.5396 9.5758 9.5758 9.8190 9.8190 9.8437 9.8437 9.8455 9.8455 10.2940 10.2940 10.2974 10.2974 10.4959 10.4959 11.2661 11.2661 k = 0.3163 0.3163 0.3163 ( 7190 PWs) bands (ev): -11.6224 -11.6224 -11.6224 -11.6224 -11.6219 -11.6219 -11.6218 -11.6218 -10.5949 -10.5949 -10.5948 -10.5948 -10.5934 -10.5934 -10.5932 -10.5932 -10.5841 -10.5841 -10.5830 -10.5830 2.0877 2.0877 2.3337 2.3337 5.9547 5.9547 6.2644 6.2644 6.3392 6.3392 7.2005 7.2005 7.3354 7.3354 7.9142 7.9142 8.5915 8.5915 8.5976 8.5976 8.6452 8.6452 9.4257 9.4257 9.5158 9.5158 9.5542 9.5542 9.8727 9.8727 9.8916 9.8916 9.9057 9.9057 10.3100 10.3100 10.3131 10.3131 10.5183 10.5183 11.2100 11.2100 k = 0.3265 0.3265 0.3265 ( 7181 PWs) bands (ev): -11.6225 -11.6225 -11.6224 -11.6224 -11.6219 -11.6219 -11.6219 -11.6219 -10.5949 -10.5949 -10.5948 -10.5948 -10.5934 -10.5934 -10.5932 -10.5932 -10.5841 -10.5841 -10.5832 -10.5832 2.1260 2.1260 2.3384 2.3384 5.9531 5.9531 6.2654 6.2654 6.3402 6.3402 7.1891 7.1891 7.3222 7.3222 7.8910 7.8910 8.6264 8.6264 8.6332 8.6332 8.6462 8.6462 9.4434 9.4434 9.4902 9.4902 9.5281 9.5281 9.9288 9.9288 9.9447 9.9447 9.9697 9.9697 10.3287 10.3287 10.3314 10.3314 10.5364 10.5364 11.1556 11.1556 k = 0.3367 0.3367 0.3367 ( 7205 PWs) bands (ev): -11.6225 -11.6225 -11.6225 -11.6225 -11.6220 -11.6220 -11.6220 -11.6220 -10.5949 -10.5949 -10.5949 -10.5949 -10.5934 -10.5934 -10.5933 -10.5933 -10.5842 -10.5842 -10.5833 -10.5833 2.1623 2.1623 2.3436 2.3436 5.9568 5.9568 6.2688 6.2688 6.3439 6.3439 7.1750 7.1750 7.3061 7.3061 7.8580 7.8580 8.6495 8.6495 8.6639 8.6639 8.6692 8.6692 9.4492 9.4492 9.4747 9.4747 9.5009 9.5009 9.9858 9.9858 9.9999 9.9999 10.0357 10.0357 10.3496 10.3496 10.3520 10.3520 10.5500 10.5500 11.1028 11.1028 k = 0.3469 0.3469 0.3469 ( 7211 PWs) bands (ev): -11.6225 -11.6225 -11.6225 -11.6225 -11.6220 -11.6220 -11.6220 -11.6220 -10.5949 -10.5949 -10.5949 -10.5949 -10.5935 -10.5935 -10.5934 -10.5934 -10.5843 -10.5843 -10.5835 -10.5835 2.1966 2.1966 2.3492 2.3492 5.9659 5.9659 6.2748 6.2748 6.3502 6.3502 7.1581 7.1581 7.2868 7.2868 7.8157 7.8157 8.6604 8.6604 8.6991 8.6991 8.7055 8.7055 9.4296 9.4296 9.4745 9.4745 9.4838 9.4838 10.0426 10.0426 10.0557 10.0557 10.1024 10.1024 10.3721 10.3721 10.3742 10.3742 10.5592 10.5592 11.0520 11.0520 k = 0.3571 0.3571 0.3571 ( 7211 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6221 -11.6221 -11.6221 -11.6221 -10.5949 -10.5949 -10.5949 -10.5949 -10.5935 -10.5935 -10.5934 -10.5934 -10.5843 -10.5843 -10.5836 -10.5836 2.2286 2.2286 2.3552 2.3552 5.9803 5.9803 6.2833 6.2833 6.3592 6.3592 7.1382 7.1382 7.2645 7.2645 7.7649 7.7649 8.6759 8.6759 8.7351 8.7351 8.7421 8.7421 9.4065 9.4065 9.4499 9.4499 9.4959 9.4959 10.0985 10.0985 10.1110 10.1110 10.1686 10.1686 10.3958 10.3958 10.3976 10.3976 10.5645 10.5645 11.0033 11.0033 k = 0.3673 0.3673 0.3673 ( 7205 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6221 -11.6221 -11.6221 -11.6221 -10.5949 -10.5949 -10.5948 -10.5948 -10.5935 -10.5935 -10.5935 -10.5935 -10.5844 -10.5844 -10.5837 -10.5837 2.2583 2.2583 2.3615 2.3615 6.0001 6.0001 6.2943 6.2943 6.3709 6.3709 7.1154 7.1154 7.2390 7.2390 7.7068 7.7068 8.6961 8.6961 8.7714 8.7714 8.7791 8.7791 9.3850 9.3850 9.4275 9.4275 9.5057 9.5057 10.1530 10.1530 10.1652 10.1652 10.2333 10.2333 10.4201 10.4201 10.4218 10.4218 10.5668 10.5668 10.9569 10.9569 k = 0.3776 0.3776 0.3776 ( 7199 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6222 -11.6222 -11.6222 -11.6222 -10.5949 -10.5949 -10.5948 -10.5948 -10.5936 -10.5936 -10.5935 -10.5935 -10.5844 -10.5844 -10.5838 -10.5838 2.2854 2.2854 2.3680 2.3680 6.0253 6.0253 6.3077 6.3077 6.3852 6.3852 7.0898 7.0898 7.2105 7.2105 7.6426 7.6426 8.7207 8.7207 8.8078 8.8078 8.8164 8.8164 9.3660 9.3660 9.4076 9.4076 9.5119 9.5119 10.2055 10.2055 10.2178 10.2178 10.2956 10.2956 10.4445 10.4445 10.4464 10.4464 10.5671 10.5671 10.9132 10.9132 k = 0.3878 0.3878 0.3878 ( 7217 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6222 -11.6222 -11.6222 -11.6222 -10.5949 -10.5949 -10.5948 -10.5948 -10.5936 -10.5936 -10.5936 -10.5936 -10.5845 -10.5845 -10.5839 -10.5839 2.3101 2.3101 2.3747 2.3747 6.0557 6.0557 6.3237 6.3237 6.4021 6.4021 7.0615 7.0615 7.1792 7.1792 7.5733 7.5733 8.7491 8.7491 8.8444 8.8444 8.8538 8.8538 9.3494 9.3494 9.3900 9.3900 9.5140 9.5140 10.2557 10.2557 10.2683 10.2683 10.3545 10.3545 10.4683 10.4683 10.4710 10.4710 10.5669 10.5669 10.8725 10.8725 k = 0.3980 0.3980 0.3980 ( 7205 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6223 -11.6223 -11.6222 -11.6222 -10.5948 -10.5948 -10.5948 -10.5948 -10.5937 -10.5937 -10.5936 -10.5936 -10.5846 -10.5846 -10.5840 -10.5840 2.3322 2.3322 2.3814 2.3814 6.0913 6.0913 6.3420 6.3420 6.4216 6.4216 7.0308 7.0308 7.1453 7.1453 7.4999 7.4999 8.7811 8.7811 8.8810 8.8810 8.8914 8.8914 9.3350 9.3350 9.3745 9.3745 9.5112 9.5112 10.3030 10.3030 10.3163 10.3163 10.4091 10.4091 10.4906 10.4906 10.4952 10.4952 10.5678 10.5678 10.8352 10.8352 k = 0.4082 0.4082 0.4082 ( 7178 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6223 -11.6223 -11.6223 -11.6223 -10.5948 -10.5948 -10.5947 -10.5947 -10.5937 -10.5937 -10.5937 -10.5937 -10.5846 -10.5846 -10.5841 -10.5841 2.3518 2.3518 2.3881 2.3881 6.1318 6.1318 6.3627 6.3627 6.4437 6.4437 6.9979 6.9979 7.1091 7.1091 7.4235 7.4235 8.8161 8.8161 8.9175 8.9175 8.9289 8.9289 9.3225 9.3225 9.3608 9.3608 9.5030 9.5030 10.3472 10.3472 10.3614 10.3614 10.4585 10.4585 10.5103 10.5103 10.5187 10.5187 10.5716 10.5716 10.8016 10.8016 k = 0.4184 0.4184 0.4184 ( 7190 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6223 -11.6223 -11.6223 -11.6223 -10.5947 -10.5947 -10.5947 -10.5947 -10.5938 -10.5938 -10.5937 -10.5937 -10.5846 -10.5846 -10.5842 -10.5842 2.3688 2.3688 2.3946 2.3946 6.1771 6.1771 6.3856 6.3856 6.4681 6.4681 6.9631 6.9631 7.0710 7.0710 7.3448 7.3448 8.8538 8.8538 8.9537 8.9537 8.9661 8.9661 9.3113 9.3113 9.3482 9.3482 9.4893 9.4893 10.3878 10.3878 10.4034 10.4034 10.5016 10.5016 10.5265 10.5265 10.5409 10.5409 10.5800 10.5800 10.7722 10.7722 k = 0.4286 0.4286 0.4286 ( 7190 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6224 -11.6224 -11.6224 -11.6224 -10.5947 -10.5947 -10.5947 -10.5947 -10.5938 -10.5938 -10.5938 -10.5938 -10.5847 -10.5847 -10.5843 -10.5843 2.3834 2.3834 2.4008 2.4008 6.2269 6.2269 6.4107 6.4107 6.4950 6.4950 6.9269 6.9269 7.0313 7.0313 7.2645 7.2645 8.8939 8.8939 8.9893 8.9893 9.0030 9.0030 9.3009 9.3009 9.3362 9.3362 9.4699 9.4699 10.4245 10.4245 10.4420 10.4420 10.5341 10.5341 10.5434 10.5434 10.5618 10.5618 10.5927 10.5927 10.7473 10.7473 k = 0.4388 0.4388 0.4388 ( 7205 PWs) bands (ev): -11.6227 -11.6227 -11.6227 -11.6227 -11.6224 -11.6224 -11.6224 -11.6224 -10.5947 -10.5947 -10.5946 -10.5946 -10.5939 -10.5939 -10.5939 -10.5939 -10.5847 -10.5847 -10.5844 -10.5844 2.3956 2.3956 2.4067 2.4067 6.2809 6.2809 6.4377 6.4377 6.5241 6.5241 6.8897 6.8897 6.9903 6.9903 7.1835 7.1835 8.9359 8.9359 9.0241 9.0241 9.0391 9.0391 9.2907 9.2907 9.3243 9.3243 9.4450 9.4450 10.4573 10.4573 10.4772 10.4772 10.5477 10.5477 10.5705 10.5705 10.5809 10.5809 10.6078 10.6078 10.7273 10.7273 k = 0.4490 0.4490 0.4490 ( 7199 PWs) bands (ev): -11.6227 -11.6227 -11.6227 -11.6227 -11.6225 -11.6225 -11.6224 -11.6224 -10.5946 -10.5946 -10.5946 -10.5946 -10.5940 -10.5940 -10.5939 -10.5939 -10.5847 -10.5847 -10.5844 -10.5844 2.4056 2.4056 2.4120 2.4120 6.3386 6.3386 6.4666 6.4666 6.5554 6.5554 6.8519 6.8519 6.9485 6.9485 7.1022 7.1022 8.9796 8.9796 9.0578 9.0578 9.0741 9.0741 9.2800 9.2800 9.3117 9.3117 9.4151 9.4151 10.4862 10.4862 10.5088 10.5088 10.5588 10.5588 10.5929 10.5929 10.5981 10.5981 10.6231 10.6231 10.7121 10.7121 k = 0.4592 0.4592 0.4592 ( 7187 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5945 -10.5945 -10.5945 -10.5945 -10.5940 -10.5940 -10.5940 -10.5940 -10.5847 -10.5847 -10.5845 -10.5845 2.4134 2.4134 2.4167 2.4167 6.3994 6.3994 6.4970 6.4970 6.5888 6.5888 6.8143 6.8143 6.9062 6.9062 7.0215 7.0215 9.0245 9.0245 9.0900 9.0900 9.1079 9.1079 9.2683 9.2683 9.2980 9.2980 9.3808 9.3808 10.5117 10.5117 10.5373 10.5373 10.5703 10.5703 10.6083 10.6083 10.6133 10.6133 10.6369 10.6369 10.7013 10.7013 k = 0.4694 0.4694 0.4694 ( 7181 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5945 -10.5945 -10.5945 -10.5945 -10.5941 -10.5941 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4192 2.4192 2.4206 2.4206 6.4623 6.4623 6.5285 6.5285 6.6240 6.6240 6.7779 6.7779 6.8639 6.8639 6.9421 6.9421 9.0703 9.0703 9.1202 9.1202 9.1399 9.1399 9.2552 9.2552 9.2826 9.2826 9.3428 9.3428 10.5348 10.5348 10.5632 10.5632 10.5819 10.5819 10.6175 10.6175 10.6260 10.6260 10.6476 10.6476 10.6938 10.6942 k = 0.4796 0.4796 0.4796 ( 7193 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5944 -10.5944 -10.5944 -10.5944 -10.5942 -10.5942 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4231 2.4231 2.4236 2.4236 6.5246 6.5246 6.5601 6.5601 6.6609 6.6609 6.7451 6.7451 6.8217 6.8217 6.8654 6.8654 9.1162 9.1162 9.1481 9.1481 9.1698 9.1698 9.2402 9.2402 9.2651 9.2651 9.3020 9.3020 10.5565 10.5565 10.5871 10.5871 10.5926 10.5926 10.6215 10.6215 10.6352 10.6352 10.6516 10.6516 10.6863 10.6863 k = 0.4898 0.4898 0.4898 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5944 -10.5944 -10.5944 -10.5944 -10.5942 -10.5942 -10.5942 -10.5942 -10.5847 -10.5847 -10.5847 -10.5847 2.4254 2.4254 2.4255 2.4255 6.5777 6.5777 6.5896 6.5896 6.6994 6.6994 6.7242 6.7242 6.7800 6.7800 6.7944 6.7944 9.1607 9.1607 9.1727 9.1727 9.1975 9.1975 9.2244 9.2244 9.2451 9.2451 9.2598 9.2598 10.5775 10.5775 10.5996 10.5996 10.6092 10.6092 10.6226 10.6226 10.6375 10.6375 10.6418 10.6418 10.6824 10.6827 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5847 -10.5847 -10.5847 -10.5847 2.4261 2.4261 2.4261 2.4261 6.6022 6.6022 6.6022 6.6022 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 9.1880 9.1880 9.1880 9.1880 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 10.5948 10.5948 10.5948 10.5948 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6879 10.6879 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5847 -10.5847 -10.5847 -10.5847 2.4261 2.4261 2.4261 2.4261 6.6022 6.6022 6.6022 6.6022 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 9.1880 9.1880 9.1880 9.1880 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 10.5948 10.5948 10.5948 10.5948 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6879 10.6879 k = 0.4875 0.5000 0.4875 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5944 -10.5944 -10.5943 -10.5943 -10.5942 -10.5942 -10.5942 -10.5942 -10.5847 -10.5847 -10.5847 -10.5847 2.4254 2.4254 2.4254 2.4254 6.5783 6.5783 6.5883 6.5883 6.7087 6.7087 6.7138 6.7138 6.7855 6.7855 6.7906 6.7906 9.1652 9.1652 9.1659 9.1659 9.2096 9.2096 9.2104 9.2104 9.2541 9.2541 9.2550 9.2550 10.5772 10.5772 10.5986 10.5986 10.6111 10.6111 10.6220 10.6220 10.6387 10.6387 10.6407 10.6407 10.6825 10.6825 k = 0.4750 0.5000 0.4750 ( 7190 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5944 -10.5944 -10.5944 -10.5944 -10.5942 -10.5942 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4233 2.4233 2.4234 2.4234 6.5318 6.5318 6.5451 6.5451 6.6994 6.6994 6.7056 6.7056 6.8441 6.8441 6.8518 6.8518 9.1269 9.1269 9.1281 9.1281 9.2016 9.2016 9.2033 9.2033 9.2898 9.2898 9.2917 9.2917 10.5546 10.5546 10.5793 10.5793 10.6042 10.6042 10.6175 10.6175 10.6449 10.6449 10.6451 10.6451 10.6872 10.6872 k = 0.4625 0.5000 0.4625 ( 7182 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5945 -10.5945 -10.5944 -10.5944 -10.5941 -10.5941 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4199 2.4199 2.4199 2.4199 6.4774 6.4774 6.4913 6.4913 6.6995 6.6995 6.7053 6.7053 6.9082 6.9082 6.9170 6.9170 9.0865 9.0865 9.0879 9.0879 9.1905 9.1905 9.1932 9.1932 9.3250 9.3250 9.3279 9.3279 10.5294 10.5294 10.5514 10.5514 10.5995 10.5995 10.6126 10.6126 10.6409 10.6409 10.6419 10.6419 10.6948 10.6956 k = 0.4500 0.5000 0.4500 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5946 -10.5946 -10.5945 -10.5945 -10.5940 -10.5940 -10.5940 -10.5940 -10.5847 -10.5847 -10.5845 -10.5845 2.4151 2.4151 2.4151 2.4151 6.4213 6.4213 6.4351 6.4351 6.7034 6.7034 6.7089 6.7089 6.9746 6.9746 6.9839 6.9839 9.0456 9.0456 9.0472 9.0472 9.1758 9.1758 9.1796 9.1796 9.3586 9.3586 9.3627 9.3627 10.5013 10.5013 10.5198 10.5198 10.5940 10.5940 10.6067 10.6067 10.6327 10.6327 10.6341 10.6341 10.7061 10.7062 k = 0.4375 0.5000 0.4375 ( 7196 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6224 -11.6224 -11.6224 -11.6224 -10.5947 -10.5947 -10.5945 -10.5945 -10.5940 -10.5940 -10.5939 -10.5939 -10.5847 -10.5847 -10.5844 -10.5844 2.4089 2.4089 2.4089 2.4089 6.3660 6.3660 6.3795 6.3795 6.7095 6.7095 6.7150 6.7150 7.0420 7.0420 7.0513 7.0513 9.0050 9.0050 9.0065 9.0065 9.1580 9.1580 9.1629 9.1629 9.3903 9.3903 9.3956 9.3956 10.4699 10.4699 10.4850 10.4850 10.5858 10.5858 10.5968 10.5968 10.6258 10.6258 10.6259 10.6259 10.7198 10.7199 k = 0.4250 0.5000 0.4250 ( 7200 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6224 -11.6224 -11.6224 -11.6224 -10.5947 -10.5947 -10.5945 -10.5945 -10.5939 -10.5939 -10.5939 -10.5939 -10.5847 -10.5847 -10.5844 -10.5844 2.4014 2.4014 2.4015 2.4015 6.3123 6.3123 6.3257 6.3257 6.7172 6.7172 6.7229 6.7229 7.1096 7.1096 7.1185 7.1185 8.9652 8.9652 8.9664 8.9664 9.1375 9.1375 9.1437 9.1437 9.4197 9.4197 9.4261 9.4261 10.4351 10.4351 10.4474 10.4474 10.5713 10.5713 10.5796 10.5796 10.6211 10.6211 10.6248 10.6248 10.7338 10.7354 k = 0.4125 0.5000 0.4125 ( 7196 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6224 -11.6224 -11.6223 -11.6223 -10.5948 -10.5948 -10.5946 -10.5946 -10.5938 -10.5938 -10.5938 -10.5938 -10.5847 -10.5847 -10.5843 -10.5843 2.3926 2.3926 2.3927 2.3927 6.2609 6.2609 6.2740 6.2740 6.7264 6.7264 6.7325 6.7325 7.1766 7.1766 7.1848 7.1848 8.9267 8.9267 8.9274 8.9274 9.1148 9.1148 9.1224 9.1224 9.4465 9.4465 9.4541 9.4541 10.3975 10.3975 10.4077 10.4077 10.5496 10.5496 10.5562 10.5562 10.6213 10.6213 10.6284 10.6284 10.7498 10.7500 k = 0.4000 0.5000 0.4000 ( 7186 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6223 -11.6223 -11.6223 -11.6223 -10.5949 -10.5949 -10.5946 -10.5946 -10.5938 -10.5938 -10.5937 -10.5937 -10.5846 -10.5846 -10.5842 -10.5842 2.3826 2.3826 2.3826 2.3826 6.2122 6.2122 6.2251 6.2251 6.7367 6.7367 6.7435 6.7435 7.2424 7.2424 7.2496 7.2496 8.8897 8.8897 8.8898 8.8898 9.0905 9.0905 9.0997 9.0997 9.4705 9.4705 9.4791 9.4791 10.3577 10.3577 10.3663 10.3663 10.5222 10.5222 10.5282 10.5282 10.6248 10.6248 10.6349 10.6350 10.7688 10.7694 k = 0.3875 0.5000 0.3875 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6223 -11.6223 -11.6222 -11.6222 -10.5949 -10.5949 -10.5946 -10.5946 -10.5938 -10.5938 -10.5936 -10.5936 -10.5846 -10.5846 -10.5841 -10.5841 2.3713 2.3713 2.3714 2.3714 6.1663 6.1663 6.1791 6.1791 6.7480 6.7480 6.7558 6.7558 7.3065 7.3065 7.3124 7.3124 8.8540 8.8540 8.8548 8.8548 9.0650 9.0650 9.0760 9.0760 9.4914 9.4914 9.5009 9.5009 10.3166 10.3166 10.3241 10.3241 10.4906 10.4906 10.4964 10.4964 10.6302 10.6302 10.6433 10.6433 10.7906 10.7912 k = 0.3750 0.5000 0.3750 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6222 -11.6222 -11.6222 -11.6222 -10.5950 -10.5950 -10.5946 -10.5946 -10.5937 -10.5937 -10.5936 -10.5936 -10.5845 -10.5845 -10.5840 -10.5840 2.3589 2.3589 2.3589 2.3589 6.1235 6.1235 6.1361 6.1361 6.7602 6.7602 6.7691 6.7691 7.3683 7.3683 7.3725 7.3725 8.8205 8.8205 8.8222 8.8222 9.0391 9.0391 9.0521 9.0521 9.5087 9.5087 9.5189 9.5189 10.2751 10.2751 10.2819 10.2819 10.4555 10.4555 10.4615 10.4615 10.6362 10.6362 10.6523 10.6523 10.8155 10.8160 k = 0.3625 0.5000 0.3625 ( 7188 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6221 -11.6221 -11.6221 -11.6221 -10.5951 -10.5951 -10.5946 -10.5946 -10.5937 -10.5937 -10.5935 -10.5935 -10.5845 -10.5845 -10.5840 -10.5840 2.3453 2.3453 2.3454 2.3454 6.0840 6.0840 6.0965 6.0965 6.7731 6.7731 6.7833 6.7833 7.4272 7.4272 7.4293 7.4293 8.7896 8.7896 8.7923 8.7923 9.0133 9.0133 9.0285 9.0285 9.5222 9.5222 9.5328 9.5328 10.2341 10.2341 10.2405 10.2405 10.4177 10.4177 10.4239 10.4239 10.6419 10.6419 10.6609 10.6609 10.8437 10.8437 k = 0.3500 0.5000 0.3500 ( 7178 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6221 -11.6221 -11.6221 -11.6221 -10.5951 -10.5951 -10.5946 -10.5946 -10.5937 -10.5937 -10.5934 -10.5934 -10.5844 -10.5844 -10.5838 -10.5838 2.3308 2.3308 2.3308 2.3308 6.0477 6.0477 6.0601 6.0601 6.7864 6.7864 6.7982 6.7982 7.4823 7.4823 7.4828 7.4828 8.7613 8.7613 8.7652 8.7652 8.9882 8.9882 9.0059 9.0059 9.5312 9.5312 9.5423 9.5423 10.1946 10.1946 10.2006 10.2006 10.3778 10.3778 10.3842 10.3842 10.6465 10.6465 10.6680 10.6680 10.8754 10.8754 k = 0.3375 0.5000 0.3375 ( 7182 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6220 -11.6220 -11.6220 -11.6220 -10.5952 -10.5952 -10.5946 -10.5946 -10.5936 -10.5936 -10.5933 -10.5933 -10.5843 -10.5843 -10.5838 -10.5838 2.3152 2.3152 2.3153 2.3153 6.0149 6.0149 6.0272 6.0272 6.8001 6.8001 6.8137 6.8137 7.5308 7.5308 7.5345 7.5345 8.7360 8.7360 8.7409 8.7409 8.9646 8.9646 8.9849 8.9849 9.5356 9.5356 9.5468 9.5468 10.1573 10.1573 10.1631 10.1631 10.3362 10.3362 10.3427 10.3427 10.6490 10.6490 10.6727 10.6727 10.9108 10.9108 k = 0.3250 0.5000 0.3250 ( 7194 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6220 -11.6220 -11.6220 -11.6220 -10.5953 -10.5953 -10.5946 -10.5946 -10.5936 -10.5936 -10.5932 -10.5932 -10.5843 -10.5843 -10.5837 -10.5837 2.2988 2.2988 2.2989 2.2989 5.9855 5.9855 5.9977 5.9977 6.8138 6.8138 6.8294 6.8294 7.5745 7.5745 7.5817 7.5817 8.7133 8.7133 8.7194 8.7194 8.9434 8.9434 8.9666 8.9666 9.5348 9.5348 9.5460 9.5460 10.1230 10.1230 10.1286 10.1286 10.2935 10.2935 10.3000 10.3000 10.6488 10.6488 10.6740 10.6740 10.9501 10.9502 k = 0.3125 0.5000 0.3125 ( 7198 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6219 -11.6219 -11.6219 -11.6219 -10.5953 -10.5953 -10.5945 -10.5945 -10.5936 -10.5936 -10.5932 -10.5932 -10.5842 -10.5842 -10.5836 -10.5836 2.2817 2.2817 2.2817 2.2817 5.9595 5.9595 5.9717 5.9717 6.8274 6.8274 6.8452 6.8452 7.6130 7.6130 7.6242 7.6242 8.6933 8.6933 8.7003 8.7003 8.9254 8.9254 8.9515 8.9515 9.5286 9.5286 9.5397 9.5397 10.0922 10.0922 10.0975 10.0975 10.2503 10.2503 10.2565 10.2565 10.6452 10.6452 10.6715 10.6715 10.9934 10.9945 k = 0.3000 0.5000 0.3000 ( 7194 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6218 -11.6218 -11.6218 -11.6218 -10.5954 -10.5954 -10.5945 -10.5945 -10.5936 -10.5936 -10.5931 -10.5931 -10.5841 -10.5841 -10.5835 -10.5835 2.2638 2.2638 2.2638 2.2638 5.9369 5.9369 5.9490 5.9490 6.8407 6.8407 6.8608 6.8608 7.6460 7.6460 7.6617 7.6617 8.6753 8.6753 8.6831 8.6831 8.9116 8.9116 8.9406 8.9406 9.5171 9.5171 9.5280 9.5280 10.0649 10.0649 10.0697 10.0697 10.2070 10.2070 10.2129 10.2129 10.6377 10.6377 10.6646 10.6646 11.0405 11.0407 k = 0.2875 0.5000 0.2875 ( 7190 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6218 -11.6218 -11.6217 -11.6217 -10.5954 -10.5954 -10.5945 -10.5945 -10.5936 -10.5936 -10.5930 -10.5930 -10.5840 -10.5840 -10.5834 -10.5834 2.2454 2.2454 2.2454 2.2454 5.9177 5.9177 5.9298 5.9298 6.8534 6.8534 6.8760 6.8760 7.6735 7.6735 7.6940 7.6940 8.6591 8.6591 8.6672 8.6672 8.9029 8.9029 8.9344 8.9344 9.5006 9.5006 9.5112 9.5112 10.0408 10.0408 10.0449 10.0449 10.1647 10.1647 10.1699 10.1699 10.6261 10.6261 10.6530 10.6530 11.0913 11.0914 k = 0.2750 0.5000 0.2750 ( 7204 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6217 -11.6217 -11.6217 -11.6217 -10.5954 -10.5954 -10.5944 -10.5944 -10.5936 -10.5936 -10.5929 -10.5929 -10.5839 -10.5839 -10.5833 -10.5833 2.2265 2.2265 2.2265 2.2265 5.9017 5.9017 5.9139 5.9139 6.8654 6.8654 6.8906 6.8906 7.6958 7.6958 7.7212 7.7212 8.6443 8.6443 8.6522 8.6522 8.8997 8.8997 8.9335 8.9335 9.4797 9.4797 9.4899 9.4899 10.0188 10.0188 10.0217 10.0217 10.1244 10.1244 10.1285 10.1285 10.6103 10.6103 10.6368 10.6368 11.1454 11.1460 k = 0.2625 0.5000 0.2625 ( 7208 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6216 -11.6216 -11.6216 -11.6216 -10.5955 -10.5955 -10.5944 -10.5944 -10.5936 -10.5936 -10.5929 -10.5929 -10.5838 -10.5838 -10.5832 -10.5832 2.2073 2.2073 2.2073 2.2073 5.8890 5.8890 5.9012 5.9012 6.8765 6.8765 6.9042 6.9042 7.7130 7.7130 7.7434 7.7434 8.6306 8.6306 8.6380 8.6380 8.9022 8.9022 8.9377 8.9377 9.4550 9.4550 9.4649 9.4649 9.9969 9.9969 9.9980 9.9980 10.0882 10.0882 10.0905 10.0905 10.5901 10.5901 10.6161 10.6161 11.2032 11.2043 k = 0.2500 0.5000 0.2500 ( 7172 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6215 -11.6215 -11.6215 -11.6215 -10.5955 -10.5955 -10.5943 -10.5943 -10.5936 -10.5936 -10.5928 -10.5928 -10.5837 -10.5837 -10.5831 -10.5831 2.1879 2.1879 2.1879 2.1879 5.8794 5.8794 5.8916 5.8916 6.8865 6.8865 6.9168 6.9168 7.7257 7.7257 7.7608 7.7608 8.6182 8.6182 8.6247 8.6247 8.9099 8.9099 8.9468 8.9468 9.4275 9.4275 9.4370 9.4370 9.9709 9.9709 9.9722 9.9722 10.0584 10.0584 10.0585 10.0585 10.5658 10.5658 10.5910 10.5910 11.2639 11.2648 k = 0.2375 0.5000 0.2375 ( 7212 PWs) bands (ev): -11.6228 -11.6228 -11.6225 -11.6225 -11.6215 -11.6215 -11.6215 -11.6215 -10.5955 -10.5955 -10.5943 -10.5943 -10.5937 -10.5937 -10.5928 -10.5928 -10.5836 -10.5836 -10.5830 -10.5830 2.1684 2.1684 2.1684 2.1684 5.8727 5.8727 5.8849 5.8849 6.8953 6.8953 6.9280 6.9280 7.7343 7.7343 7.7738 7.7738 8.6073 8.6073 8.6127 8.6127 8.9223 8.9223 8.9600 8.9600 9.3982 9.3982 9.4071 9.4071 9.9389 9.9389 9.9422 9.9422 10.0343 10.0343 10.0361 10.0361 10.5376 10.5376 10.5619 10.5619 11.3282 11.3295 k = 0.2250 0.5000 0.2250 ( 7208 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6214 -11.6214 -11.6214 -11.6214 -10.5955 -10.5955 -10.5942 -10.5942 -10.5937 -10.5937 -10.5927 -10.5927 -10.5835 -10.5835 -10.5829 -10.5829 2.1490 2.1490 2.1490 2.1490 5.8688 5.8688 5.8810 5.8810 6.9029 6.9029 6.9378 6.9378 7.7393 7.7393 7.7827 7.7827 8.5982 8.5982 8.6027 8.6027 8.9382 8.9382 8.9766 8.9766 9.3678 9.3678 9.3763 9.3763 9.9030 9.9030 9.9075 9.9075 10.0169 10.0169 10.0199 10.0199 10.5058 10.5058 10.5293 10.5293 11.3949 11.3966 k = 0.2125 0.5000 0.2125 ( 7212 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6214 -11.6214 -11.6213 -11.6213 -10.5955 -10.5955 -10.5942 -10.5942 -10.5937 -10.5937 -10.5927 -10.5927 -10.5834 -10.5834 -10.5828 -10.5828 2.1297 2.1297 2.1297 2.1297 5.8675 5.8675 5.8796 5.8796 6.9092 6.9092 6.9461 6.9461 7.7413 7.7413 7.7878 7.7878 8.5914 8.5914 8.5952 8.5952 8.9566 8.9566 8.9955 8.9955 9.3374 9.3374 9.3451 9.3451 9.8653 9.8653 9.8703 9.8703 10.0039 10.0039 10.0073 10.0073 10.4709 10.4709 10.4935 10.4935 11.4641 11.4652 k = 0.2000 0.5000 0.2000 ( 7224 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6213 -11.6213 -11.6213 -11.6213 -10.5956 -10.5956 -10.5942 -10.5942 -10.5937 -10.5937 -10.5926 -10.5926 -10.5833 -10.5833 -10.5827 -10.5827 2.1108 2.1108 2.1108 2.1108 5.8686 5.8686 5.8806 5.8806 6.9142 6.9142 6.9527 6.9527 7.7406 7.7406 7.7895 7.7895 8.5873 8.5873 8.5907 8.5907 8.9764 8.9764 9.0157 9.0157 9.3076 9.3076 9.3146 9.3146 9.8273 9.8273 9.8325 9.8325 9.9930 9.9930 9.9966 9.9966 10.4332 10.4332 10.4551 10.4551 11.5354 11.5367 k = 0.1875 0.5000 0.1875 ( 7212 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6212 -11.6212 -11.6212 -11.6212 -10.5955 -10.5955 -10.5941 -10.5941 -10.5937 -10.5937 -10.5926 -10.5926 -10.5832 -10.5832 -10.5826 -10.5826 2.0923 2.0923 2.0923 2.0923 5.8719 5.8719 5.8838 5.8838 6.9180 6.9180 6.9576 6.9576 7.7378 7.7378 7.7881 7.7881 8.5861 8.5861 8.5894 8.5894 8.9963 8.9963 9.0360 9.0360 9.2795 9.2795 9.2856 9.2856 9.7899 9.7899 9.7952 9.7952 9.9829 9.9829 9.9867 9.9867 10.3934 10.3934 10.4146 10.4146 11.6081 11.6117 k = 0.1750 0.5000 0.1750 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6211 -11.6211 -11.6211 -11.6211 -10.5955 -10.5955 -10.5941 -10.5941 -10.5937 -10.5937 -10.5925 -10.5925 -10.5831 -10.5831 -10.5826 -10.5826 2.0743 2.0743 2.0743 2.0743 5.8771 5.8771 5.8889 5.8889 6.9206 6.9206 6.9610 6.9610 7.7331 7.7331 7.7839 7.7839 8.5881 8.5881 8.5918 8.5918 9.0148 9.0148 9.0548 9.0548 9.2543 9.2543 9.2596 9.2596 9.7537 9.7537 9.7591 9.7591 9.9728 9.9728 9.9769 9.9769 10.3519 10.3519 10.3726 10.3726 11.6800 11.6809 k = 0.1625 0.5000 0.1625 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6211 -11.6211 -11.6210 -11.6210 -10.5955 -10.5955 -10.5941 -10.5941 -10.5937 -10.5937 -10.5925 -10.5925 -10.5830 -10.5830 -10.5825 -10.5825 2.0570 2.0570 2.0571 2.0571 5.8839 5.8839 5.8955 5.8955 6.9221 6.9221 6.9627 6.9627 7.7270 7.7270 7.7774 7.7774 8.5933 8.5933 8.5977 8.5977 9.0301 9.0301 9.0698 9.0698 9.2336 9.2336 9.2385 9.2385 9.7191 9.7191 9.7246 9.7246 9.9621 9.9621 9.9666 9.9666 10.3093 10.3093 10.3297 10.3297 11.7498 11.7520 k = 0.1500 0.5000 0.1500 ( 7196 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6210 -11.6210 -11.6210 -11.6210 -10.5955 -10.5955 -10.5942 -10.5942 -10.5936 -10.5936 -10.5925 -10.5925 -10.5829 -10.5829 -10.5824 -10.5824 2.0406 2.0406 2.0406 2.0406 5.8922 5.8922 5.9035 5.9035 6.9228 6.9228 6.9630 6.9630 7.7197 7.7197 7.7689 7.7689 8.6016 8.6016 8.6070 8.6070 9.0396 9.0396 9.0777 9.0777 9.2199 9.2199 9.2256 9.2256 9.6865 9.6865 9.6922 9.6922 9.9504 9.9504 9.9554 9.9554 10.2664 10.2664 10.2866 10.2866 11.8152 11.8160 k = 0.1375 0.5000 0.1375 ( 7200 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6210 -11.6210 -11.6209 -11.6209 -10.5955 -10.5955 -10.5942 -10.5942 -10.5935 -10.5935 -10.5925 -10.5925 -10.5828 -10.5828 -10.5824 -10.5824 2.0250 2.0250 2.0250 2.0250 5.9015 5.9015 5.9125 5.9125 6.9226 6.9226 6.9621 6.9621 7.7116 7.7116 7.7588 7.7588 8.6130 8.6130 8.6195 8.6195 9.0409 9.0409 9.0757 9.0757 9.2152 9.2152 9.2235 9.2235 9.6561 9.6561 9.6622 9.6622 9.9372 9.9372 9.9428 9.9428 10.2239 10.2239 10.2440 10.2440 11.8738 11.8750 k = 0.1250 0.5000 0.1250 ( 7208 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6209 -11.6209 -11.6209 -11.6209 -10.5955 -10.5955 -10.5943 -10.5943 -10.5935 -10.5935 -10.5925 -10.5925 -10.5827 -10.5827 -10.5823 -10.5823 2.0104 2.0104 2.0105 2.0105 5.9117 5.9117 5.9222 5.9222 6.9219 6.9219 6.9599 6.9599 7.7031 7.7031 7.7476 7.7476 8.6270 8.6270 8.6349 8.6349 9.0337 9.0337 9.0642 9.0642 9.2196 9.2196 9.2316 9.2316 9.6285 9.6285 9.6350 9.6350 9.9221 9.9221 9.9285 9.9285 10.1828 10.1828 10.2027 10.2027 11.9224 11.9232 k = 0.1125 0.5000 0.1125 ( 7188 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6209 -11.6209 -11.6208 -11.6208 -10.5954 -10.5954 -10.5943 -10.5943 -10.5934 -10.5934 -10.5925 -10.5925 -10.5826 -10.5826 -10.5822 -10.5822 1.9970 1.9970 1.9970 1.9970 5.9223 5.9223 5.9322 5.9322 6.9208 6.9208 6.9569 6.9569 7.6945 7.6945 7.7358 7.7358 8.6433 8.6433 8.6526 8.6526 9.0201 9.0201 9.0467 9.0467 9.2311 9.2311 9.2460 9.2460 9.6039 9.6039 9.6110 9.6110 9.9047 9.9047 9.9118 9.9118 10.1440 10.1440 10.1637 10.1637 11.9617 11.9623 k = 0.1000 0.5000 0.1000 ( 7182 PWs) bands (ev): -11.6227 -11.6227 -11.6225 -11.6225 -11.6208 -11.6208 -11.6208 -11.6208 -10.5954 -10.5954 -10.5944 -10.5944 -10.5933 -10.5933 -10.5925 -10.5925 -10.5825 -10.5825 -10.5822 -10.5822 1.9847 1.9847 1.9847 1.9847 5.9331 5.9331 5.9423 5.9423 6.9195 6.9195 6.9531 6.9531 7.6861 7.6861 7.7237 7.7237 8.6616 8.6616 8.6722 8.6722 9.0025 9.0025 9.0263 9.0263 9.2466 9.2466 9.2635 9.2635 9.5830 9.5830 9.5906 9.5906 9.8845 9.8845 9.8920 9.8920 10.1089 10.1089 10.1279 10.1279 11.9924 11.9946 k = 0.0875 0.5000 0.0875 ( 7188 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6208 -11.6208 -11.6207 -11.6207 -10.5953 -10.5953 -10.5945 -10.5945 -10.5932 -10.5932 -10.5925 -10.5925 -10.5825 -10.5825 -10.5822 -10.5822 1.9736 1.9736 1.9737 1.9737 5.9436 5.9436 5.9521 5.9521 6.9181 6.9181 6.9487 6.9487 7.6783 7.6783 7.7118 7.7118 8.6813 8.6813 8.6932 8.6932 8.9828 8.9828 9.0046 9.0046 9.2640 9.2640 9.2818 9.2818 9.5662 9.5662 9.5744 9.5744 9.8612 9.8612 9.8686 9.8686 10.0783 10.0783 10.0963 10.0963 12.0170 12.0213 k = 0.0750 0.5000 0.0750 ( 7184 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6207 -11.6207 -10.5953 -10.5953 -10.5945 -10.5945 -10.5932 -10.5932 -10.5925 -10.5925 -10.5824 -10.5824 -10.5821 -10.5821 1.9639 1.9639 1.9640 1.9640 5.9538 5.9538 5.9613 5.9613 6.9169 6.9169 6.9440 6.9440 7.6712 7.6712 7.7004 7.7004 8.7022 8.7022 8.7151 8.7151 8.9623 8.9623 8.9826 8.9826 9.2815 9.2815 9.2992 9.2992 9.5545 9.5545 9.5630 9.5630 9.8348 9.8348 9.8417 9.8417 10.0531 10.0531 10.0693 10.0693 12.0369 12.0380 k = 0.0625 0.5000 0.0625 ( 7174 PWs) bands (ev): -11.6226 -11.6226 -11.6225 -11.6225 -11.6207 -11.6207 -11.6207 -11.6207 -10.5952 -10.5952 -10.5946 -10.5946 -10.5931 -10.5931 -10.5925 -10.5925 -10.5823 -10.5823 -10.5821 -10.5821 1.9556 1.9556 1.9557 1.9557 5.9631 5.9631 5.9696 5.9696 6.9159 6.9159 6.9392 6.9392 7.6652 7.6652 7.6898 7.6898 8.7237 8.7237 8.7376 8.7376 8.9414 8.9414 8.9607 8.9607 9.2978 9.2978 9.3145 9.3145 9.5487 9.5487 9.5570 9.5570 9.8057 9.8057 9.8118 9.8118 10.0333 10.0333 10.0471 10.0471 12.0520 12.0558 k = 0.0500 0.5000 0.0500 ( 7182 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6207 -11.6207 -11.6207 -11.6207 -10.5952 -10.5952 -10.5947 -10.5947 -10.5930 -10.5930 -10.5926 -10.5926 -10.5823 -10.5823 -10.5821 -10.5821 1.9488 1.9488 1.9488 1.9488 5.9713 5.9713 5.9767 5.9767 6.9154 6.9154 6.9345 6.9345 7.6604 7.6604 7.6803 7.6803 8.7456 8.7456 8.7603 8.7603 8.9204 8.9204 8.9389 8.9389 9.3119 9.3119 9.3267 9.3267 9.5493 9.5493 9.5570 9.5570 9.7751 9.7751 9.7801 9.7801 10.0185 10.0185 10.0296 10.0296 12.0642 12.0656 k = 0.0375 0.5000 0.0375 ( 7194 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6207 -11.6207 -11.6206 -11.6206 -10.5951 -10.5951 -10.5947 -10.5947 -10.5930 -10.5930 -10.5926 -10.5926 -10.5822 -10.5822 -10.5821 -10.5821 1.9434 1.9434 1.9434 1.9434 5.9781 5.9781 5.9823 5.9823 6.9154 6.9154 6.9300 6.9300 7.6571 7.6571 7.6721 7.6721 8.7675 8.7675 8.7828 8.7828 8.8996 8.8996 8.9174 8.9174 9.3233 9.3233 9.3350 9.3350 9.5562 9.5562 9.5628 9.5628 9.7444 9.7444 9.7483 9.7483 10.0080 10.0080 10.0164 10.0164 12.0728 12.0743 k = 0.0250 0.5000 0.0250 ( 7196 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5951 -10.5951 -10.5948 -10.5948 -10.5929 -10.5929 -10.5927 -10.5927 -10.5822 -10.5822 -10.5821 -10.5821 1.9395 1.9395 1.9395 1.9395 5.9834 5.9834 5.9862 5.9862 6.9161 6.9161 6.9259 6.9259 7.6554 7.6554 7.6654 7.6654 8.7892 8.7892 8.8046 8.8046 8.8791 8.8791 8.8962 8.8962 9.3316 9.3316 9.3397 9.3397 9.5682 9.5682 9.5731 9.5731 9.7159 9.7159 9.7189 9.7189 10.0013 10.0013 10.0068 10.0068 12.0793 12.0800 k = 0.0125 0.5000 0.0125 ( 7196 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5949 -10.5949 -10.5928 -10.5928 -10.5927 -10.5927 -10.5822 -10.5822 -10.5821 -10.5821 1.9372 1.9372 1.9372 1.9372 5.9869 5.9869 5.9884 5.9884 6.9174 6.9174 6.9224 6.9224 7.6553 7.6553 7.6604 7.6604 8.8101 8.8101 8.8242 8.8242 8.8606 8.8606 8.8755 8.8755 9.3372 9.3372 9.3413 9.3413 9.5814 9.5814 9.5842 9.5842 9.6936 9.6936 9.6954 9.6954 9.9979 9.9979 10.0007 10.0007 12.0832 12.0838 k = 0.0000 0.5000-0.0000 ( 7224 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6206 -11.6206 -11.6206 -11.6206 -10.5950 -10.5950 -10.5950 -10.5950 -10.5928 -10.5928 -10.5928 -10.5928 -10.5822 -10.5822 -10.5822 -10.5822 1.9364 1.9364 1.9364 1.9364 5.9886 5.9886 5.9886 5.9886 6.9196 6.9196 6.9196 6.9196 7.6570 7.6570 7.6570 7.6570 8.8277 8.8277 8.8277 8.8277 8.8578 8.8578 8.8578 8.8578 9.3404 9.3404 9.3404 9.3404 9.5887 9.5887 9.5887 9.5887 9.6851 9.6851 9.6851 9.6851 9.9978 9.9978 9.9978 9.9978 12.0847 12.0847 k = 0.5000 0.5000-0.0000 ( 7184 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5835 -10.5835 -10.5829 -10.5829 2.2207 2.2207 2.2218 2.2218 5.3732 5.3732 5.6247 5.6247 7.5451 7.5451 7.6538 7.6538 7.7617 7.7617 8.0338 8.0338 8.0958 8.0958 8.0984 8.0984 8.3484 8.3484 8.9635 8.9635 9.0663 9.0663 9.6248 9.6248 10.1739 10.1739 10.5800 10.5800 10.5971 10.5971 10.8113 10.8113 10.8527 10.8527 11.1115 11.1115 11.1266 11.1266 k = 0.5000 0.5000 0.0179 ( 7208 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6210 -11.6210 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5836 -10.5836 -10.5830 -10.5830 2.2213 2.2213 2.2224 2.2224 5.3751 5.3751 5.6265 5.6265 7.5429 7.5429 7.6466 7.6466 7.7557 7.7557 8.0262 8.0262 8.1037 8.1037 8.1065 8.1065 8.3541 8.3541 8.9626 8.9626 9.0689 9.0689 9.6247 9.6247 10.1749 10.1749 10.5803 10.5803 10.5974 10.5974 10.8090 10.8090 10.8496 10.8496 11.0950 11.0950 11.1250 11.1250 k = 0.5000 0.5000 0.0357 ( 7216 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6211 -11.6211 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5924 -10.5924 -10.5836 -10.5836 -10.5830 -10.5830 2.2231 2.2231 2.2241 2.2241 5.3810 5.3810 5.6320 5.6320 7.5362 7.5362 7.6262 7.6262 7.7397 7.7397 8.0064 8.0064 8.1256 8.1256 8.1281 8.1281 8.3700 8.3700 8.9600 8.9600 9.0767 9.0767 9.6245 9.6245 10.1779 10.1779 10.5813 10.5813 10.5983 10.5983 10.8026 10.8026 10.8407 10.8407 11.0450 11.0450 11.1277 11.1277 k = 0.5000 0.5000 0.0536 ( 7196 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6211 -11.6211 -11.6211 -11.6211 -10.5965 -10.5965 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5836 -10.5836 -10.5830 -10.5830 2.2260 2.2260 2.2271 2.2271 5.3908 5.3908 5.6409 5.6409 7.5240 7.5240 7.5954 7.5954 7.7184 7.7184 7.9781 7.9781 8.1578 8.1578 8.1593 8.1593 8.3934 8.3934 8.9556 8.9556 9.0897 9.0897 9.6241 9.6241 10.1829 10.1829 10.5828 10.5828 10.5996 10.5996 10.7923 10.7923 10.8270 10.8270 10.9774 10.9774 11.1296 11.1296 k = 0.5000 0.5000 0.0714 ( 7204 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6212 -11.6212 -11.6211 -11.6211 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5836 -10.5836 -10.5830 -10.5830 2.2301 2.2301 2.2311 2.2311 5.4045 5.4045 5.6535 5.6535 7.5050 7.5050 7.5571 7.5571 7.6965 7.6965 7.9441 7.9441 8.1968 8.1968 8.1972 8.1972 8.4216 8.4216 8.9497 8.9497 9.1078 9.1078 9.6236 9.6236 10.1899 10.1899 10.5848 10.5848 10.6015 10.6015 10.7792 10.7792 10.8095 10.8095 10.9027 10.9027 11.1186 11.1186 k = 0.5000 0.5000 0.0893 ( 7196 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6212 -11.6212 -11.6211 -11.6211 -10.5964 -10.5964 -10.5940 -10.5940 -10.5936 -10.5936 -10.5925 -10.5925 -10.5837 -10.5837 -10.5830 -10.5830 2.2352 2.2352 2.2362 2.2362 5.4221 5.4221 5.6694 5.6694 7.4784 7.4784 7.5138 7.5138 7.6769 7.6769 7.9060 7.9060 8.2397 8.2397 8.2402 8.2402 8.4526 8.4526 8.9423 8.9423 9.1310 9.1310 9.6227 9.6227 10.1991 10.1991 10.5872 10.5872 10.6038 10.6038 10.7639 10.7639 10.7872 10.7873 10.8278 10.8278 11.0891 11.0891 k = 0.5000 0.5000 0.1071 ( 7196 PWs) bands (ev): -11.6233 -11.6233 -11.6229 -11.6229 -11.6212 -11.6212 -11.6212 -11.6212 -10.5963 -10.5963 -10.5941 -10.5941 -10.5936 -10.5936 -10.5925 -10.5925 -10.5837 -10.5837 -10.5831 -10.5831 2.2414 2.2414 2.2424 2.2424 5.4435 5.4435 5.6888 5.6888 7.4447 7.4447 7.4671 7.4671 7.6606 7.6606 7.8649 7.8649 8.2855 8.2855 8.2866 8.2866 8.4852 8.4852 8.9338 8.9338 9.1590 9.1590 9.6215 9.6215 10.2105 10.2105 10.5895 10.5895 10.6065 10.6065 10.7379 10.7379 10.7473 10.7473 10.7786 10.7786 11.0512 11.0512 k = 0.5000 0.5000 0.1250 ( 7196 PWs) bands (ev): -11.6232 -11.6232 -11.6229 -11.6229 -11.6213 -11.6213 -11.6212 -11.6212 -10.5963 -10.5963 -10.5941 -10.5941 -10.5936 -10.5936 -10.5926 -10.5926 -10.5838 -10.5838 -10.5832 -10.5832 2.2486 2.2486 2.2495 2.2495 5.4686 5.4686 5.7115 5.7115 7.4052 7.4052 7.4181 7.4181 7.6470 7.6470 7.8217 7.8217 8.3337 8.3337 8.3351 8.3351 8.5184 8.5184 8.9243 8.9243 9.1917 9.1917 9.6199 9.6199 10.2242 10.2242 10.5900 10.5900 10.6094 10.6094 10.6655 10.6655 10.7301 10.7301 10.7549 10.7549 11.0101 11.0101 k = 0.5000 0.5000 0.1429 ( 7184 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6214 -11.6214 -11.6213 -11.6213 -10.5962 -10.5962 -10.5941 -10.5941 -10.5936 -10.5936 -10.5927 -10.5927 -10.5838 -10.5838 -10.5832 -10.5832 2.2567 2.2567 2.2575 2.2575 5.4975 5.4975 5.7373 5.7373 7.3615 7.3615 7.3678 7.3678 7.6347 7.6347 7.7767 7.7767 8.3834 8.3834 8.3849 8.3849 8.5517 8.5517 8.9143 8.9143 9.2289 9.2289 9.6177 9.6177 10.2403 10.2403 10.5682 10.5682 10.6124 10.6124 10.6142 10.6142 10.7130 10.7130 10.7341 10.7341 10.9681 10.9681 k = 0.5000 0.5000 0.1607 ( 7200 PWs) bands (ev): -11.6232 -11.6232 -11.6228 -11.6228 -11.6214 -11.6214 -11.6214 -11.6214 -10.5962 -10.5962 -10.5941 -10.5941 -10.5936 -10.5936 -10.5927 -10.5927 -10.5839 -10.5839 -10.5833 -10.5833 2.2656 2.2656 2.2664 2.2664 5.5301 5.5301 5.7662 5.7662 7.3152 7.3152 7.3167 7.3167 7.6224 7.6224 7.7304 7.7304 8.4344 8.4344 8.4359 8.4359 8.5849 8.5849 8.9042 8.9042 9.2703 9.2703 9.6148 9.6148 10.2587 10.2587 10.5017 10.5017 10.6093 10.6093 10.6153 10.6153 10.6966 10.6966 10.7144 10.7144 10.9262 10.9262 k = 0.5000 0.5000 0.1786 ( 7184 PWs) bands (ev): -11.6231 -11.6231 -11.6228 -11.6228 -11.6215 -11.6215 -11.6214 -11.6214 -10.5961 -10.5961 -10.5942 -10.5942 -10.5936 -10.5936 -10.5928 -10.5928 -10.5840 -10.5840 -10.5833 -10.5833 2.2753 2.2753 2.2759 2.2759 5.5663 5.5663 5.7980 5.7980 7.2653 7.2653 7.2672 7.2672 7.6090 7.6090 7.6828 7.6828 8.4862 8.4862 8.4876 8.4876 8.6177 8.6177 8.8945 8.8945 9.3154 9.3154 9.6110 9.6110 10.2796 10.2796 10.4299 10.4299 10.6121 10.6121 10.6177 10.6177 10.6815 10.6815 10.6960 10.6960 10.8855 10.8855 k = 0.5000 0.5000 0.1964 ( 7184 PWs) bands (ev): -11.6231 -11.6231 -11.6228 -11.6228 -11.6216 -11.6216 -11.6215 -11.6215 -10.5960 -10.5960 -10.5942 -10.5942 -10.5936 -10.5936 -10.5929 -10.5929 -10.5840 -10.5840 -10.5834 -10.5834 2.2856 2.2856 2.2861 2.2861 5.6060 5.6060 5.8325 5.8325 7.2142 7.2142 7.2185 7.2185 7.5934 7.5934 7.6342 7.6342 8.5387 8.5387 8.5399 8.5399 8.6499 8.6499 8.8858 8.8858 9.3635 9.3635 9.6063 9.6063 10.3027 10.3027 10.3600 10.3600 10.6160 10.6160 10.6190 10.6190 10.6687 10.6687 10.6789 10.6789 10.8464 10.8464 k = 0.5000 0.5000 0.2143 ( 7168 PWs) bands (ev): -11.6231 -11.6231 -11.6228 -11.6228 -11.6216 -11.6216 -11.6216 -11.6216 -10.5959 -10.5959 -10.5942 -10.5942 -10.5936 -10.5936 -10.5929 -10.5929 -10.5841 -10.5841 -10.5835 -10.5835 2.2963 2.2963 2.2968 2.2968 5.6491 5.6491 5.8697 5.8697 7.1637 7.1637 7.1697 7.1697 7.5747 7.5747 7.5846 7.5846 8.5915 8.5915 8.5926 8.5926 8.6817 8.6817 8.8787 8.8787 9.4136 9.4136 9.6004 9.6004 10.2938 10.2938 10.3281 10.3281 10.6179 10.6179 10.6201 10.6201 10.6594 10.6594 10.6636 10.6636 10.8096 10.8096 k = 0.5000 0.5000 0.2321 ( 7180 PWs) bands (ev): -11.6230 -11.6230 -11.6227 -11.6227 -11.6217 -11.6217 -11.6217 -11.6217 -10.5958 -10.5958 -10.5942 -10.5942 -10.5936 -10.5936 -10.5930 -10.5930 -10.5842 -10.5842 -10.5836 -10.5836 2.3075 2.3075 2.3079 2.3079 5.6956 5.6956 5.9093 5.9093 7.1141 7.1141 7.1214 7.1214 7.5342 7.5342 7.5523 7.5523 8.6445 8.6445 8.6455 8.6455 8.7130 8.7130 8.8738 8.8738 9.4642 9.4642 9.5930 9.5930 10.2328 10.2328 10.3555 10.3555 10.6135 10.6135 10.6237 10.6237 10.6503 10.6503 10.6547 10.6547 10.7753 10.7753 k = 0.5000 0.5000 0.2500 ( 7180 PWs) bands (ev): -11.6230 -11.6230 -11.6227 -11.6227 -11.6218 -11.6218 -11.6217 -11.6217 -10.5957 -10.5957 -10.5943 -10.5943 -10.5937 -10.5937 -10.5931 -10.5931 -10.5843 -10.5843 -10.5837 -10.5837 2.3189 2.3189 2.3193 2.3193 5.7452 5.7452 5.9512 5.9512 7.0659 7.0659 7.0740 7.0740 7.4829 7.4829 7.5256 7.5256 8.6974 8.6974 8.6985 8.6985 8.7440 8.7440 8.8717 8.8717 9.5131 9.5131 9.5840 9.5840 10.1792 10.1792 10.3846 10.3846 10.6067 10.6067 10.6251 10.6251 10.6407 10.6407 10.6539 10.6539 10.7441 10.7441 k = 0.5000 0.5000 0.2679 ( 7204 PWs) bands (ev): -11.6230 -11.6230 -11.6227 -11.6227 -11.6219 -11.6219 -11.6218 -11.6218 -10.5956 -10.5956 -10.5943 -10.5943 -10.5937 -10.5937 -10.5932 -10.5932 -10.5844 -10.5844 -10.5838 -10.5838 2.3304 2.3304 2.3307 2.3307 5.7980 5.7980 5.9951 5.9951 7.0192 7.0192 7.0279 7.0279 7.4309 7.4309 7.4942 7.4942 8.7495 8.7495 8.7511 8.7511 8.7752 8.7752 8.8729 8.8729 9.5567 9.5567 9.5731 9.5731 10.1362 10.1362 10.4152 10.4152 10.5990 10.5990 10.6207 10.6207 10.6379 10.6379 10.6553 10.6553 10.7163 10.7163 k = 0.5000 0.5000 0.2857 ( 7196 PWs) bands (ev): -11.6230 -11.6230 -11.6227 -11.6227 -11.6220 -11.6220 -11.6219 -11.6219 -10.5955 -10.5955 -10.5944 -10.5944 -10.5937 -10.5937 -10.5933 -10.5933 -10.5844 -10.5844 -10.5839 -10.5839 2.3419 2.3419 2.3421 2.3421 5.8537 5.8537 6.0410 6.0410 6.9745 6.9745 6.9835 6.9835 7.3781 7.3781 7.4576 7.4576 8.7971 8.7971 8.8033 8.8033 8.8102 8.8102 8.8780 8.8780 9.5602 9.5602 9.5898 9.5898 10.1086 10.1086 10.4468 10.4468 10.5917 10.5917 10.6134 10.6134 10.6383 10.6383 10.6576 10.6576 10.6929 10.6929 k = 0.5000 0.5000 0.3036 ( 7188 PWs) bands (ev): -11.6229 -11.6229 -11.6227 -11.6227 -11.6221 -11.6221 -11.6220 -11.6220 -10.5954 -10.5954 -10.5944 -10.5944 -10.5937 -10.5937 -10.5934 -10.5934 -10.5845 -10.5845 -10.5840 -10.5840 2.3532 2.3532 2.3534 2.3534 5.9122 5.9122 6.0887 6.0887 6.9321 6.9321 6.9412 6.9412 7.3246 7.3246 7.4160 7.4160 8.8318 8.8318 8.8545 8.8545 8.8572 8.8572 8.8872 8.8872 9.5449 9.5449 9.6071 9.6071 10.1013 10.1013 10.4787 10.4787 10.5854 10.5854 10.6066 10.6066 10.6366 10.6366 10.6603 10.6603 10.6757 10.6757 k = 0.5000 0.5000 0.3214 ( 7188 PWs) bands (ev): -11.6229 -11.6229 -11.6227 -11.6227 -11.6221 -11.6221 -11.6221 -11.6221 -10.5953 -10.5953 -10.5944 -10.5944 -10.5938 -10.5938 -10.5935 -10.5935 -10.5845 -10.5845 -10.5841 -10.5841 2.3642 2.3642 2.3643 2.3643 5.9733 5.9733 6.1378 6.1378 6.8923 6.8923 6.9013 6.9013 7.2706 7.2706 7.3693 7.3693 8.8629 8.8629 8.8979 8.8979 8.9067 8.9067 8.9072 8.9072 9.5271 9.5271 9.6053 9.6053 10.1168 10.1168 10.5102 10.5102 10.5806 10.5806 10.6011 10.6011 10.6293 10.6293 10.6630 10.6630 10.6674 10.6674 k = 0.5000 0.5000 0.3393 ( 7192 PWs) bands (ev): -11.6229 -11.6229 -11.6227 -11.6227 -11.6222 -11.6222 -11.6222 -11.6222 -10.5952 -10.5952 -10.5944 -10.5944 -10.5938 -10.5938 -10.5936 -10.5936 -10.5846 -10.5846 -10.5841 -10.5841 2.3747 2.3747 2.3748 2.3748 6.0369 6.0369 6.1884 6.1884 6.8553 6.8553 6.8641 6.8641 7.2160 7.2160 7.3177 7.3177 8.8938 8.8938 8.9168 8.9168 8.9542 8.9542 8.9552 8.9552 9.5067 9.5067 9.5865 9.5865 10.1524 10.1524 10.5399 10.5399 10.5780 10.5780 10.5970 10.5970 10.6183 10.6183 10.6656 10.6656 10.6660 10.6660 k = 0.5000 0.5000 0.3571 ( 7192 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6223 -11.6223 -11.6222 -11.6222 -10.5950 -10.5950 -10.5944 -10.5944 -10.5938 -10.5938 -10.5937 -10.5937 -10.5846 -10.5846 -10.5842 -10.5842 2.3846 2.3846 2.3846 2.3846 6.1027 6.1027 6.2401 6.2401 6.8214 6.8214 6.8300 6.8300 7.1609 7.1609 7.2615 7.2615 8.9250 8.9250 8.9382 8.9382 9.0005 9.0005 9.0016 9.0016 9.4834 9.4834 9.5554 9.5554 10.2022 10.2022 10.5627 10.5627 10.5820 10.5820 10.5940 10.5940 10.6081 10.6081 10.6674 10.6674 10.6679 10.6679 k = 0.5000 0.5000 0.3750 ( 7192 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6223 -11.6223 -11.6223 -11.6223 -10.5949 -10.5949 -10.5944 -10.5944 -10.5939 -10.5939 -10.5938 -10.5938 -10.5847 -10.5847 -10.5843 -10.5843 2.3937 2.3937 2.3937 2.3937 6.1704 6.1704 6.2927 6.2927 6.7910 6.7910 6.7993 6.7993 7.1054 7.1054 7.2014 7.2014 8.9568 8.9568 8.9633 8.9633 9.0442 9.0442 9.0452 9.0452 9.4574 9.4574 9.5170 9.5170 10.2605 10.2605 10.5689 10.5689 10.5909 10.5909 10.6011 10.6011 10.6017 10.6017 10.6696 10.6696 10.6698 10.6698 k = 0.5000 0.5000 0.3929 ( 7192 PWs) bands (ev): -11.6228 -11.6228 -11.6226 -11.6226 -11.6224 -11.6224 -11.6224 -11.6224 -10.5948 -10.5948 -10.5944 -10.5944 -10.5939 -10.5939 -10.5939 -10.5939 -10.5847 -10.5847 -10.5844 -10.5844 2.4019 2.4019 2.4019 2.4019 6.2397 6.2397 6.3459 6.3459 6.7643 6.7643 6.7722 6.7722 7.0496 7.0496 7.1377 7.1377 8.9894 8.9894 8.9917 8.9917 9.0844 9.0844 9.0854 9.0854 9.4286 9.4286 9.4746 9.4746 10.3224 10.3224 10.5710 10.5710 10.5871 10.5871 10.6005 10.6005 10.6219 10.6219 10.6711 10.6711 10.6720 10.6720 k = 0.5000 0.5000 0.4107 ( 7192 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6224 -11.6224 -11.6224 -11.6224 -10.5947 -10.5947 -10.5944 -10.5944 -10.5940 -10.5940 -10.5940 -10.5940 -10.5847 -10.5847 -10.5844 -10.5844 2.4090 2.4090 2.4091 2.4091 6.3103 6.3103 6.3995 6.3995 6.7416 6.7416 6.7492 6.7492 6.9938 6.9938 7.0712 7.0712 9.0230 9.0230 9.0231 9.0231 9.1205 9.1205 9.1214 9.1214 9.3972 9.3972 9.4303 9.4303 10.3844 10.3844 10.5741 10.5741 10.5845 10.5845 10.6030 10.6030 10.6381 10.6381 10.6715 10.6715 10.6744 10.6744 k = 0.5000 0.5000 0.4286 ( 7176 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6225 -11.6225 -11.6224 -11.6224 -10.5946 -10.5946 -10.5944 -10.5944 -10.5940 -10.5940 -10.5940 -10.5940 -10.5847 -10.5847 -10.5845 -10.5845 2.4150 2.4150 2.4151 2.4151 6.3814 6.3814 6.4528 6.4528 6.7232 6.7232 6.7306 6.7306 6.9382 6.9382 7.0025 7.0025 9.0571 9.0571 9.0576 9.0576 9.1516 9.1516 9.1524 9.1524 9.3636 9.3636 9.3856 9.3856 10.4436 10.4436 10.5788 10.5788 10.5846 10.5846 10.6079 10.6079 10.6478 10.6478 10.6698 10.6698 10.6765 10.6765 k = 0.5000 0.5000 0.4464 ( 7184 PWs) bands (ev): -11.6227 -11.6227 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5945 -10.5945 -10.5944 -10.5944 -10.5941 -10.5941 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4198 2.4198 2.4199 2.4199 6.4519 6.4519 6.5047 6.5047 6.7098 6.7098 6.7173 6.7173 6.8832 6.8832 6.9325 6.9325 9.0929 9.0929 9.0933 9.0933 9.1770 9.1770 9.1775 9.1775 9.3280 9.3280 9.3413 9.3413 10.4972 10.4972 10.5853 10.5853 10.5882 10.5882 10.6149 10.6149 10.6497 10.6497 10.6645 10.6645 10.6785 10.6785 k = 0.5000 0.5000 0.4643 ( 7192 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6225 -11.6225 -11.6225 -11.6225 -10.5945 -10.5945 -10.5944 -10.5944 -10.5942 -10.5942 -10.5941 -10.5941 -10.5847 -10.5847 -10.5846 -10.5846 2.4233 2.4233 2.4233 2.4233 6.5193 6.5193 6.5527 6.5527 6.7030 6.7030 6.7108 6.7108 6.8298 6.8298 6.8626 6.8626 9.1298 9.1298 9.1298 9.1298 9.1960 9.1960 9.1962 9.1962 9.2912 9.2912 9.2981 9.2981 10.5423 10.5423 10.5932 10.5932 10.5961 10.5961 10.6230 10.6230 10.6421 10.6421 10.6561 10.6561 10.6802 10.6802 k = 0.5000 0.5000 0.4821 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5944 -10.5944 -10.5943 -10.5943 -10.5942 -10.5942 -10.5942 -10.5942 -10.5847 -10.5847 -10.5847 -10.5847 2.4254 2.4254 2.4254 2.4254 6.5756 6.5756 6.5900 6.5900 6.7084 6.7084 6.7157 6.7157 6.7801 6.7801 6.7956 6.7956 9.1658 9.1658 9.1659 9.1659 9.2085 9.2085 9.2087 9.2087 9.2543 9.2543 9.2569 9.2569 10.5755 10.5755 10.5996 10.5996 10.6096 10.6096 10.6287 10.6287 10.6307 10.6307 10.6444 10.6444 10.6815 10.6816 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -11.6226 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5943 -10.5847 -10.5847 -10.5847 -10.5847 2.4261 2.4261 2.4261 2.4261 6.6022 6.6022 6.6022 6.6022 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 6.7392 9.1880 9.1880 9.1880 9.1880 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 9.2226 10.5948 10.5948 10.5948 10.5948 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6278 10.6879 10.6879 Writing output data file Zr3Sn.save init_run : 0.17s CPU 3.01s WALL ( 1 calls) electrons : 325.00s CPU 329.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 324.99s CPU 329.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 219 calls) cegterg : 300.37s CPU 303.65s WALL ( 703 calls) Called by sum_band: Called by *egterg: h_psi : 159.62s CPU 161.62s WALL ( 13235 calls) s_psi : 8.16s CPU 8.08s WALL ( 13235 calls) g_psi : 0.62s CPU 0.55s WALL ( 12313 calls) cdiaghg : 108.98s CPU 110.48s WALL ( 12532 calls) cegterg:over : 14.58s CPU 14.93s WALL ( 12313 calls) cegterg:upda : 16.73s CPU 16.51s WALL ( 12313 calls) cegterg:last : 6.22s CPU 6.37s WALL ( 1483 calls) cdiaghg:chol : 6.32s CPU 6.30s WALL ( 12532 calls) cdiaghg:inve : 4.46s CPU 4.36s WALL ( 12532 calls) cdiaghg:para : 6.67s CPU 6.86s WALL ( 25064 calls) Called by h_psi: h_psi:vloc : 135.76s CPU 137.63s WALL ( 13235 calls) h_psi:vnl : 23.16s CPU 23.31s WALL ( 13235 calls) add_vuspsi : 11.46s CPU 11.46s WALL ( 13235 calls) General routines calbec : 11.67s CPU 11.82s WALL ( 13235 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.16s CPU 129.64s WALL ( 1126172 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.28s WALL ( 438 calls) Parallel routines fft_scatter : 49.87s CPU 50.71s WALL ( 1126195 calls) PWSCF : 5m41.94s CPU 6m 2.62s WALL This run was terminated on: 21:22:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=