Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:52 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: ./Ca3TlN.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 36 10 2248 976 152 Max 63 37 11 2253 984 157 Sum 2249 1305 377 80989 35273 5575 bravais-lattice index = 14 lattice parameter (alat) = 9.4205 a.u. unit-cell volume = 836.0228 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.420473 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) 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= 247 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0040486 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0040486 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0040486 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0040486 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0040486 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0040486 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0040486 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0040486 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0040486 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0040486 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0040486 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0040486 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0040486 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0040486 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0040486 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0040486 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0040486 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0040486 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0040486 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0040486 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0040486 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0040486 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0040486 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0040486 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0040486 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0040486 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0040486 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0040486 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0040486 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0040486 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0040486 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040486 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040486 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0040486 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0040486 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0040486 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0040486 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0040486 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0040486 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0040486 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0040486 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0040486 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0040486 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0040486 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0040486 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0040486 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0040486 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0040486 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0040486 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0040486 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0040486 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0040486 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0040486 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0040486 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0040486 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0040486 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0040486 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0040486 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0040486 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0040486 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0040486 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0040486 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0040486 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0040486 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040486 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040486 k( 68) = ( 0.4888889 0.4888889 -0.0000000), wk = 0.0040486 k( 69) = ( 0.4777778 0.4777778 -0.0000000), wk = 0.0040486 k( 70) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0040486 k( 71) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0040486 k( 72) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0040486 k( 73) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0040486 k( 74) = ( 0.4222222 0.4222222 -0.0000000), wk = 0.0040486 k( 75) = ( 0.4111111 0.4111111 -0.0000000), wk = 0.0040486 k( 76) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0040486 k( 77) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0040486 k( 78) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0040486 k( 79) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0040486 k( 80) = ( 0.3555556 0.3555556 -0.0000000), wk = 0.0040486 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0040486 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040486 k( 83) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0040486 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0040486 k( 85) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0040486 k( 86) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0040486 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0040486 k( 88) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0040486 k( 89) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0040486 k( 90) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0040486 k( 91) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0040486 k( 92) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0040486 k( 93) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0040486 k( 94) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0040486 k( 95) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0040486 k( 96) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0040486 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0040486 k( 98) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0040486 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0040486 k( 100) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0040486 k( 101) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0040486 k( 102) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0040486 k( 103) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0040486 k( 104) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0040486 k( 105) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0040486 k( 106) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0040486 k( 107) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0040486 k( 108) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0040486 k( 109) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0040486 k( 110) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0040486 k( 111) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0040486 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 114) = ( 0.0090909 0.0090909 0.0090909), wk = 0.0040486 k( 115) = ( 0.0181818 0.0181818 0.0181818), wk = 0.0040486 k( 116) = ( 0.0272727 0.0272727 0.0272727), wk = 0.0040486 k( 117) = ( 0.0363636 0.0363636 0.0363636), wk = 0.0040486 k( 118) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0040486 k( 119) = ( 0.0545455 0.0545454 0.0545454), wk = 0.0040486 k( 120) = ( 0.0636364 0.0636364 0.0636364), wk = 0.0040486 k( 121) = ( 0.0727273 0.0727273 0.0727273), wk = 0.0040486 k( 122) = ( 0.0818182 0.0818182 0.0818182), wk = 0.0040486 k( 123) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0040486 k( 124) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0040486 k( 125) = ( 0.1090909 0.1090909 0.1090909), wk = 0.0040486 k( 126) = ( 0.1181818 0.1181818 0.1181818), wk = 0.0040486 k( 127) = ( 0.1272727 0.1272727 0.1272727), wk = 0.0040486 k( 128) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0040486 k( 129) = ( 0.1454545 0.1454545 0.1454545), wk = 0.0040486 k( 130) = ( 0.1545455 0.1545454 0.1545454), wk = 0.0040486 k( 131) = ( 0.1636364 0.1636364 0.1636364), wk = 0.0040486 k( 132) = ( 0.1727273 0.1727273 0.1727273), wk = 0.0040486 k( 133) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0040486 k( 134) = ( 0.1909091 0.1909091 0.1909091), wk = 0.0040486 k( 135) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0040486 k( 136) = ( 0.2090909 0.2090909 0.2090909), wk = 0.0040486 k( 137) = ( 0.2181818 0.2181818 0.2181818), wk = 0.0040486 k( 138) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0040486 k( 139) = ( 0.2363636 0.2363636 0.2363636), wk = 0.0040486 k( 140) = ( 0.2454545 0.2454545 0.2454545), wk = 0.0040486 k( 141) = ( 0.2545455 0.2545455 0.2545454), wk = 0.0040486 k( 142) = ( 0.2636364 0.2636364 0.2636364), wk = 0.0040486 k( 143) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0040486 k( 144) = ( 0.2818182 0.2818182 0.2818182), wk = 0.0040486 k( 145) = ( 0.2909091 0.2909091 0.2909091), wk = 0.0040486 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0040486 k( 147) = ( 0.3090909 0.3090909 0.3090909), wk = 0.0040486 k( 148) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0040486 k( 149) = ( 0.3272727 0.3272727 0.3272727), wk = 0.0040486 k( 150) = ( 0.3363636 0.3363636 0.3363636), wk = 0.0040486 k( 151) = ( 0.3454546 0.3454545 0.3454545), wk = 0.0040486 k( 152) = ( 0.3545454 0.3545454 0.3545454), wk = 0.0040486 k( 153) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0040486 k( 154) = ( 0.3727273 0.3727273 0.3727273), wk = 0.0040486 k( 155) = ( 0.3818182 0.3818182 0.3818182), wk = 0.0040486 k( 156) = ( 0.3909091 0.3909091 0.3909091), wk = 0.0040486 k( 157) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0040486 k( 158) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0040486 k( 159) = ( 0.4181818 0.4181818 0.4181818), wk = 0.0040486 k( 160) = ( 0.4272727 0.4272727 0.4272727), wk = 0.0040486 k( 161) = ( 0.4363636 0.4363636 0.4363636), wk = 0.0040486 k( 162) = ( 0.4454546 0.4454545 0.4454545), wk = 0.0040486 k( 163) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0040486 k( 164) = ( 0.4636364 0.4636364 0.4636364), wk = 0.0040486 k( 165) = ( 0.4727273 0.4727273 0.4727273), wk = 0.0040486 k( 166) = ( 0.4818182 0.4818182 0.4818182), wk = 0.0040486 k( 167) = ( 0.4909091 0.4909091 0.4909091), wk = 0.0040486 k( 168) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 k( 170) = ( 0.4888889 0.5000000 0.4888889), wk = 0.0040486 k( 171) = ( 0.4777778 0.5000000 0.4777778), wk = 0.0040486 k( 172) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0040486 k( 173) = ( 0.4555556 0.5000000 0.4555556), wk = 0.0040486 k( 174) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0040486 k( 175) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0040486 k( 176) = ( 0.4222222 0.5000000 0.4222222), wk = 0.0040486 k( 177) = ( 0.4111111 0.5000000 0.4111111), wk = 0.0040486 k( 178) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0040486 k( 179) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0040486 k( 180) = ( 0.3777778 0.5000000 0.3777778), wk = 0.0040486 k( 181) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0040486 k( 182) = ( 0.3555556 0.5000000 0.3555556), wk = 0.0040486 k( 183) = ( 0.3444444 0.5000000 0.3444444), wk = 0.0040486 k( 184) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0040486 k( 185) = ( 0.3222222 0.5000000 0.3222222), wk = 0.0040486 k( 186) = ( 0.3111111 0.5000000 0.3111111), wk = 0.0040486 k( 187) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0040486 k( 188) = ( 0.2888889 0.5000000 0.2888889), wk = 0.0040486 k( 189) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0040486 k( 190) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0040486 k( 191) = ( 0.2555556 0.5000000 0.2555556), wk = 0.0040486 k( 192) = ( 0.2444444 0.5000000 0.2444444), wk = 0.0040486 k( 193) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0040486 k( 194) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0040486 k( 195) = ( 0.2111111 0.5000000 0.2111111), wk = 0.0040486 k( 196) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0040486 k( 197) = ( 0.1888889 0.5000000 0.1888889), wk = 0.0040486 k( 198) = ( 0.1777778 0.5000000 0.1777778), wk = 0.0040486 k( 199) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0040486 k( 200) = ( 0.1555556 0.5000000 0.1555556), wk = 0.0040486 k( 201) = ( 0.1444444 0.5000000 0.1444444), wk = 0.0040486 k( 202) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0040486 k( 203) = ( 0.1222222 0.5000000 0.1222222), wk = 0.0040486 k( 204) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0040486 k( 205) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0040486 k( 206) = ( 0.0888889 0.5000000 0.0888889), wk = 0.0040486 k( 207) = ( 0.0777778 0.5000000 0.0777778), wk = 0.0040486 k( 208) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0040486 k( 209) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0040486 k( 210) = ( 0.0444444 0.5000000 0.0444444), wk = 0.0040486 k( 211) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0040486 k( 212) = ( 0.0222222 0.5000000 0.0222222), wk = 0.0040486 k( 213) = ( 0.0111111 0.5000000 0.0111111), wk = 0.0040486 k( 214) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040486 k( 215) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040486 k( 216) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0040486 k( 217) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0040486 k( 218) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0040486 k( 219) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040486 k( 220) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0040486 k( 221) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0040486 k( 222) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0040486 k( 223) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040486 k( 224) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0040486 k( 225) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0040486 k( 226) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0040486 k( 227) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040486 k( 228) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0040486 k( 229) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0040486 k( 230) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0040486 k( 231) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040486 k( 232) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0040486 k( 233) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0040486 k( 234) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0040486 k( 235) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040486 k( 236) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0040486 k( 237) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0040486 k( 238) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0040486 k( 239) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040486 k( 240) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0040486 k( 241) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0040486 k( 242) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0040486 k( 243) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040486 k( 244) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0040486 k( 245) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0040486 k( 246) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0040486 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 2) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0040486 k( 3) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0040486 k( 4) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0040486 k( 5) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0040486 k( 6) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0040486 k( 7) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0040486 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0040486 k( 9) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0040486 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0040486 k( 11) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0040486 k( 12) = ( 0.0000000 0.1718750 0.0000000), wk = 0.0040486 k( 13) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0040486 k( 14) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0040486 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0040486 k( 16) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0040486 k( 17) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0040486 k( 18) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0040486 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0040486 k( 20) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0040486 k( 21) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0040486 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0040486 k( 23) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0040486 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0040486 k( 25) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0040486 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0040486 k( 27) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0040486 k( 28) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0040486 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0040486 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0040486 k( 31) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0040486 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0040486 k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040486 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040486 k( 35) = ( 0.0156250 0.5000000 0.0000000), wk = 0.0040486 k( 36) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0040486 k( 37) = ( 0.0468750 0.5000000 0.0000000), wk = 0.0040486 k( 38) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0040486 k( 39) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0040486 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0040486 k( 41) = ( 0.1093750 0.5000000 0.0000000), wk = 0.0040486 k( 42) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0040486 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0040486 k( 44) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0040486 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0040486 k( 46) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0040486 k( 47) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0040486 k( 48) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0040486 k( 49) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0040486 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0040486 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0040486 k( 52) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0040486 k( 53) = ( 0.2968750 0.5000000 0.0000000), wk = 0.0040486 k( 54) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0040486 k( 55) = ( 0.3281250 0.5000000 0.0000000), wk = 0.0040486 k( 56) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0040486 k( 57) = ( 0.3593750 0.5000000 0.0000000), wk = 0.0040486 k( 58) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0040486 k( 59) = ( 0.3906250 0.5000000 0.0000000), wk = 0.0040486 k( 60) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0040486 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0040486 k( 62) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0040486 k( 63) = ( 0.4531250 0.5000000 0.0000000), wk = 0.0040486 k( 64) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0040486 k( 65) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0040486 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040486 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040486 k( 68) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0040486 k( 69) = ( 0.4777778 0.4777778 0.0000000), wk = 0.0040486 k( 70) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0040486 k( 71) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0040486 k( 72) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0040486 k( 73) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0040486 k( 74) = ( 0.4222222 0.4222222 0.0000000), wk = 0.0040486 k( 75) = ( 0.4111111 0.4111111 0.0000000), wk = 0.0040486 k( 76) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0040486 k( 77) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0040486 k( 78) = ( 0.3777778 0.3777778 0.0000000), wk = 0.0040486 k( 79) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0040486 k( 80) = ( 0.3555556 0.3555556 0.0000000), wk = 0.0040486 k( 81) = ( 0.3444444 0.3444444 0.0000000), wk = 0.0040486 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0040486 k( 83) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0040486 k( 84) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0040486 k( 85) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0040486 k( 86) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0040486 k( 87) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0040486 k( 88) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0040486 k( 89) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0040486 k( 90) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0040486 k( 91) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0040486 k( 92) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0040486 k( 93) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0040486 k( 94) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0040486 k( 95) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0040486 k( 96) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0040486 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0040486 k( 98) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0040486 k( 99) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0040486 k( 100) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0040486 k( 101) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0040486 k( 102) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0040486 k( 103) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0040486 k( 104) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0040486 k( 105) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0040486 k( 106) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0040486 k( 107) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0040486 k( 108) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0040486 k( 109) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0040486 k( 110) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0040486 k( 111) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0040486 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486 k( 114) = ( 0.0090909 0.0090909 0.0090909), wk = 0.0040486 k( 115) = ( 0.0181818 0.0181818 0.0181818), wk = 0.0040486 k( 116) = ( 0.0272727 0.0272727 0.0272727), wk = 0.0040486 k( 117) = ( 0.0363636 0.0363636 0.0363636), wk = 0.0040486 k( 118) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0040486 k( 119) = ( 0.0545455 0.0545455 0.0545455), wk = 0.0040486 k( 120) = ( 0.0636364 0.0636364 0.0636364), wk = 0.0040486 k( 121) = ( 0.0727273 0.0727273 0.0727273), wk = 0.0040486 k( 122) = ( 0.0818182 0.0818182 0.0818182), wk = 0.0040486 k( 123) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0040486 k( 124) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0040486 k( 125) = ( 0.1090909 0.1090909 0.1090909), wk = 0.0040486 k( 126) = ( 0.1181818 0.1181818 0.1181818), wk = 0.0040486 k( 127) = ( 0.1272727 0.1272727 0.1272727), wk = 0.0040486 k( 128) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0040486 k( 129) = ( 0.1454545 0.1454545 0.1454545), wk = 0.0040486 k( 130) = ( 0.1545455 0.1545455 0.1545455), wk = 0.0040486 k( 131) = ( 0.1636364 0.1636364 0.1636364), wk = 0.0040486 k( 132) = ( 0.1727273 0.1727273 0.1727273), wk = 0.0040486 k( 133) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0040486 k( 134) = ( 0.1909091 0.1909091 0.1909091), wk = 0.0040486 k( 135) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0040486 k( 136) = ( 0.2090909 0.2090909 0.2090909), wk = 0.0040486 k( 137) = ( 0.2181818 0.2181818 0.2181818), wk = 0.0040486 k( 138) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0040486 k( 139) = ( 0.2363636 0.2363636 0.2363636), wk = 0.0040486 k( 140) = ( 0.2454545 0.2454545 0.2454545), wk = 0.0040486 k( 141) = ( 0.2545455 0.2545455 0.2545455), wk = 0.0040486 k( 142) = ( 0.2636364 0.2636364 0.2636364), wk = 0.0040486 k( 143) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0040486 k( 144) = ( 0.2818182 0.2818182 0.2818182), wk = 0.0040486 k( 145) = ( 0.2909091 0.2909091 0.2909091), wk = 0.0040486 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0040486 k( 147) = ( 0.3090909 0.3090909 0.3090909), wk = 0.0040486 k( 148) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0040486 k( 149) = ( 0.3272727 0.3272727 0.3272727), wk = 0.0040486 k( 150) = ( 0.3363636 0.3363636 0.3363636), wk = 0.0040486 k( 151) = ( 0.3454546 0.3454546 0.3454546), wk = 0.0040486 k( 152) = ( 0.3545454 0.3545454 0.3545454), wk = 0.0040486 k( 153) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0040486 k( 154) = ( 0.3727273 0.3727273 0.3727273), wk = 0.0040486 k( 155) = ( 0.3818182 0.3818182 0.3818182), wk = 0.0040486 k( 156) = ( 0.3909091 0.3909091 0.3909091), wk = 0.0040486 k( 157) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0040486 k( 158) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0040486 k( 159) = ( 0.4181818 0.4181818 0.4181818), wk = 0.0040486 k( 160) = ( 0.4272727 0.4272727 0.4272727), wk = 0.0040486 k( 161) = ( 0.4363636 0.4363636 0.4363636), wk = 0.0040486 k( 162) = ( 0.4454546 0.4454546 0.4454546), wk = 0.0040486 k( 163) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0040486 k( 164) = ( 0.4636364 0.4636364 0.4636364), wk = 0.0040486 k( 165) = ( 0.4727273 0.4727273 0.4727273), wk = 0.0040486 k( 166) = ( 0.4818182 0.4818182 0.4818182), wk = 0.0040486 k( 167) = ( 0.4909091 0.4909091 0.4909091), wk = 0.0040486 k( 168) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 k( 170) = ( 0.4888889 0.5000000 0.4888889), wk = 0.0040486 k( 171) = ( 0.4777778 0.5000000 0.4777778), wk = 0.0040486 k( 172) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0040486 k( 173) = ( 0.4555556 0.5000000 0.4555556), wk = 0.0040486 k( 174) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0040486 k( 175) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0040486 k( 176) = ( 0.4222222 0.5000000 0.4222222), wk = 0.0040486 k( 177) = ( 0.4111111 0.5000000 0.4111111), wk = 0.0040486 k( 178) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0040486 k( 179) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0040486 k( 180) = ( 0.3777778 0.5000000 0.3777778), wk = 0.0040486 k( 181) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0040486 k( 182) = ( 0.3555556 0.5000000 0.3555556), wk = 0.0040486 k( 183) = ( 0.3444444 0.5000000 0.3444444), wk = 0.0040486 k( 184) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0040486 k( 185) = ( 0.3222222 0.5000000 0.3222222), wk = 0.0040486 k( 186) = ( 0.3111111 0.5000000 0.3111111), wk = 0.0040486 k( 187) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0040486 k( 188) = ( 0.2888889 0.5000000 0.2888889), wk = 0.0040486 k( 189) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0040486 k( 190) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0040486 k( 191) = ( 0.2555556 0.5000000 0.2555556), wk = 0.0040486 k( 192) = ( 0.2444444 0.5000000 0.2444444), wk = 0.0040486 k( 193) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0040486 k( 194) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0040486 k( 195) = ( 0.2111111 0.5000000 0.2111111), wk = 0.0040486 k( 196) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0040486 k( 197) = ( 0.1888889 0.5000000 0.1888889), wk = 0.0040486 k( 198) = ( 0.1777778 0.5000000 0.1777778), wk = 0.0040486 k( 199) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0040486 k( 200) = ( 0.1555556 0.5000000 0.1555556), wk = 0.0040486 k( 201) = ( 0.1444444 0.5000000 0.1444444), wk = 0.0040486 k( 202) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0040486 k( 203) = ( 0.1222222 0.5000000 0.1222222), wk = 0.0040486 k( 204) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0040486 k( 205) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0040486 k( 206) = ( 0.0888889 0.5000000 0.0888889), wk = 0.0040486 k( 207) = ( 0.0777778 0.5000000 0.0777778), wk = 0.0040486 k( 208) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0040486 k( 209) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0040486 k( 210) = ( 0.0444444 0.5000000 0.0444444), wk = 0.0040486 k( 211) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0040486 k( 212) = ( 0.0222222 0.5000000 0.0222222), wk = 0.0040486 k( 213) = ( 0.0111111 0.5000000 0.0111111), wk = 0.0040486 k( 214) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040486 k( 215) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040486 k( 216) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0040486 k( 217) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0040486 k( 218) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0040486 k( 219) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040486 k( 220) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0040486 k( 221) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0040486 k( 222) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0040486 k( 223) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040486 k( 224) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0040486 k( 225) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0040486 k( 226) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0040486 k( 227) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040486 k( 228) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0040486 k( 229) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0040486 k( 230) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0040486 k( 231) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040486 k( 232) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0040486 k( 233) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0040486 k( 234) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0040486 k( 235) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040486 k( 236) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0040486 k( 237) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0040486 k( 238) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0040486 k( 239) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040486 k( 240) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0040486 k( 241) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0040486 k( 242) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0040486 k( 243) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040486 k( 244) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0040486 k( 245) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0040486 k( 246) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0040486 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486 Dense grid: 80989 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 35273 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 246, 58) NL pseudopotentials 0.28 Mb ( 123, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2251) G-vector shells 0.00 Mb ( 467) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 246, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 150, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3TlN.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.4 secs Computing kpt #: 11 total cpu time spent up to now is 16.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.9 secs Computing kpt #: 15 total cpu time spent up to now is 21.1 secs Computing kpt #: 16 total cpu time spent up to now is 22.2 secs Computing kpt #: 17 total cpu time spent up to now is 23.3 secs Computing kpt #: 18 total cpu time spent up to now is 24.9 secs Computing kpt #: 19 total cpu time spent up to now is 26.4 secs Computing kpt #: 20 total cpu time spent up to now is 27.6 secs Computing kpt #: 21 total cpu time spent up to now is 29.2 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.3 secs Computing kpt #: 24 total cpu time spent up to now is 34.1 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.0 secs Computing kpt #: 26 total cpu time spent up to now is 37.7 secs Computing kpt #: 27 total cpu time spent up to now is 39.9 secs Computing kpt #: 28 total cpu time spent up to now is 41.0 secs Computing kpt #: 29 total cpu time spent up to now is 42.0 secs Computing kpt #: 30 total cpu time spent up to now is 43.1 secs Computing kpt #: 31 total cpu time spent up to now is 44.1 secs Computing kpt #: 32 total cpu time spent up to now is 45.1 secs Computing kpt #: 33 total cpu time spent up to now is 46.1 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.1 secs Computing kpt #: 36 total cpu time spent up to now is 49.1 secs Computing kpt #: 37 total cpu time spent up to now is 50.1 secs Computing kpt #: 38 total cpu time spent up to now is 51.2 secs Computing kpt #: 39 total cpu time spent up to now is 52.2 secs Computing kpt #: 40 total cpu time spent up to now is 53.3 secs Computing kpt #: 41 total cpu time spent up to now is 54.4 secs Computing kpt #: 42 total cpu time spent up to now is 55.5 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.5 secs Computing kpt #: 44 total cpu time spent up to now is 59.2 secs Computing kpt #: 45 total cpu time spent up to now is 60.9 secs Computing kpt #: 46 total cpu time spent up to now is 62.2 secs Computing kpt #: 47 total cpu time spent up to now is 63.9 secs Computing kpt #: 48 total cpu time spent up to now is 65.5 secs Computing kpt #: 49 total cpu time spent up to now is 67.0 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.0 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.1 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.2 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.2 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.2 secs Computing kpt #: 57 total cpu time spent up to now is 82.9 secs Computing kpt #: 58 total cpu time spent up to now is 84.8 secs Computing kpt #: 59 total cpu time spent up to now is 86.4 secs Computing kpt #: 60 total cpu time spent up to now is 88.0 secs Computing kpt #: 61 total cpu time spent up to now is 89.7 secs Computing kpt #: 62 total cpu time spent up to now is 91.2 secs Computing kpt #: 63 total cpu time spent up to now is 92.8 secs Computing kpt #: 64 total cpu time spent up to now is 94.8 secs Computing kpt #: 65 total cpu time spent up to now is 96.4 secs Computing kpt #: 66 total cpu time spent up to now is 97.8 secs Computing kpt #: 67 total cpu time spent up to now is 99.3 secs Computing kpt #: 68 total cpu time spent up to now is 101.0 secs Computing kpt #: 69 total cpu time spent up to now is 102.6 secs Computing kpt #: 70 total cpu time spent up to now is 104.2 secs Computing kpt #: 71 total cpu time spent up to now is 105.7 secs Computing kpt #: 72 total cpu time spent up to now is 107.2 secs Computing kpt #: 73 total cpu time spent up to now is 108.7 secs Computing kpt #: 74 total cpu time spent up to now is 110.2 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.2 secs Computing kpt #: 76 total cpu time spent up to now is 114.2 secs Computing kpt #: 77 total cpu time spent up to now is 116.1 secs Computing kpt #: 78 total cpu time spent up to now is 117.8 secs Computing kpt #: 79 total cpu time spent up to now is 119.4 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.4 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.4 secs Computing kpt #: 82 total cpu time spent up to now is 124.8 secs Computing kpt #: 83 total cpu time spent up to now is 126.2 secs Computing kpt #: 84 total cpu time spent up to now is 127.9 secs Computing kpt #: 85 total cpu time spent up to now is 129.2 secs Computing kpt #: 86 total cpu time spent up to now is 130.5 secs Computing kpt #: 87 total cpu time spent up to now is 131.7 secs Computing kpt #: 88 total cpu time spent up to now is 133.6 secs Computing kpt #: 89 total cpu time spent up to now is 134.8 secs Computing kpt #: 90 total cpu time spent up to now is 135.8 secs Computing kpt #: 91 total cpu time spent up to now is 137.0 secs Computing kpt #: 92 total cpu time spent up to now is 138.1 secs Computing kpt #: 93 total cpu time spent up to now is 139.2 secs Computing kpt #: 94 total cpu time spent up to now is 140.2 secs Computing kpt #: 95 total cpu time spent up to now is 141.3 secs Computing kpt #: 96 total cpu time spent up to now is 142.4 secs Computing kpt #: 97 total cpu time spent up to now is 143.5 secs Computing kpt #: 98 total cpu time spent up to now is 144.5 secs Computing kpt #: 99 total cpu time spent up to now is 145.6 secs Computing kpt #: 100 total cpu time spent up to now is 146.5 secs Computing kpt #: 101 total cpu time spent up to now is 147.5 secs Computing kpt #: 102 total cpu time spent up to now is 148.6 secs Computing kpt #: 103 total cpu time spent up to now is 149.6 secs Computing kpt #: 104 total cpu time spent up to now is 150.7 secs Computing kpt #: 105 total cpu time spent up to now is 151.7 secs Computing kpt #: 106 total cpu time spent up to now is 152.8 secs Computing kpt #: 107 total cpu time spent up to now is 153.9 secs Computing kpt #: 108 total cpu time spent up to now is 155.1 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.0 secs Computing kpt #: 110 total cpu time spent up to now is 158.4 secs Computing kpt #: 111 total cpu time spent up to now is 159.9 secs Computing kpt #: 112 total cpu time spent up to now is 161.0 secs Computing kpt #: 113 total cpu time spent up to now is 162.2 secs Computing kpt #: 114 total cpu time spent up to now is 163.7 secs Computing kpt #: 115 total cpu time spent up to now is 165.2 secs Computing kpt #: 116 total cpu time spent up to now is 166.6 secs Computing kpt #: 117 total cpu time spent up to now is 168.0 secs Computing kpt #: 118 total cpu time spent up to now is 169.2 secs Computing kpt #: 119 total cpu time spent up to now is 170.4 secs Computing kpt #: 120 total cpu time spent up to now is 171.5 secs Computing kpt #: 121 total cpu time spent up to now is 172.5 secs Computing kpt #: 122 total cpu time spent up to now is 173.7 secs Computing kpt #: 123 total cpu time spent up to now is 174.8 secs Computing kpt #: 124 total cpu time spent up to now is 175.8 secs Computing kpt #: 125 total cpu time spent up to now is 177.0 secs Computing kpt #: 126 total cpu time spent up to now is 178.0 secs Computing kpt #: 127 total cpu time spent up to now is 179.1 secs Computing kpt #: 128 total cpu time spent up to now is 180.4 secs Computing kpt #: 129 total cpu time spent up to now is 181.8 secs Computing kpt #: 130 total cpu time spent up to now is 182.9 secs Computing kpt #: 131 total cpu time spent up to now is 184.1 secs Computing kpt #: 132 total cpu time spent up to now is 185.3 secs Computing kpt #: 133 total cpu time spent up to now is 186.4 secs Computing kpt #: 134 total cpu time spent up to now is 187.6 secs Computing kpt #: 135 total cpu time spent up to now is 188.8 secs Computing kpt #: 136 total cpu time spent up to now is 190.0 secs Computing kpt #: 137 total cpu time spent up to now is 191.2 secs Computing kpt #: 138 total cpu time spent up to now is 192.4 secs Computing kpt #: 139 total cpu time spent up to now is 194.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.0 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.0 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.8 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.6 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.5 secs Computing kpt #: 151 total cpu time spent up to now is 216.7 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.6 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.5 secs Computing kpt #: 155 total cpu time spent up to now is 223.7 secs Computing kpt #: 156 total cpu time spent up to now is 225.0 secs Computing kpt #: 157 total cpu time spent up to now is 226.1 secs Computing kpt #: 158 total cpu time spent up to now is 227.3 secs Computing kpt #: 159 total cpu time spent up to now is 228.5 secs Computing kpt #: 160 total cpu time spent up to now is 229.6 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.6 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.4 secs Computing kpt #: 163 total cpu time spent up to now is 235.0 secs Computing kpt #: 164 total cpu time spent up to now is 236.2 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.0 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.9 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.6 secs Computing kpt #: 170 total cpu time spent up to now is 246.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.7 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.5 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.5 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.4 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.3 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.1 secs Computing kpt #: 178 total cpu time spent up to now is 261.3 secs Computing kpt #: 179 total cpu time spent up to now is 262.9 secs Computing kpt #: 180 total cpu time spent up to now is 264.2 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.0 secs Computing kpt #: 183 total cpu time spent up to now is 269.4 secs Computing kpt #: 184 total cpu time spent up to now is 270.7 secs Computing kpt #: 185 total cpu time spent up to now is 271.9 secs Computing kpt #: 186 total cpu time spent up to now is 273.1 secs Computing kpt #: 187 total cpu time spent up to now is 274.5 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.3 secs Computing kpt #: 189 total cpu time spent up to now is 277.8 secs Computing kpt #: 190 total cpu time spent up to now is 279.4 secs Computing kpt #: 191 total cpu time spent up to now is 280.8 secs Computing kpt #: 192 total cpu time spent up to now is 282.3 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.3 secs Computing kpt #: 195 total cpu time spent up to now is 288.1 secs Computing kpt #: 196 total cpu time spent up to now is 289.6 secs Computing kpt #: 197 total cpu time spent up to now is 291.1 secs Computing kpt #: 198 total cpu time spent up to now is 292.7 secs Computing kpt #: 199 total cpu time spent up to now is 294.1 secs Computing kpt #: 200 total cpu time spent up to now is 295.5 secs Computing kpt #: 201 total cpu time spent up to now is 297.0 secs Computing kpt #: 202 total cpu time spent up to now is 298.6 secs Computing kpt #: 203 total cpu time spent up to now is 300.2 secs Computing kpt #: 204 total cpu time spent up to now is 301.9 secs Computing kpt #: 205 total cpu time spent up to now is 303.6 secs Computing kpt #: 206 total cpu time spent up to now is 305.0 secs Computing kpt #: 207 total cpu time spent up to now is 306.1 secs Computing kpt #: 208 total cpu time spent up to now is 307.2 secs Computing kpt #: 209 total cpu time spent up to now is 308.4 secs Computing kpt #: 210 total cpu time spent up to now is 309.4 secs Computing kpt #: 211 total cpu time spent up to now is 310.4 secs Computing kpt #: 212 total cpu time spent up to now is 311.4 secs Computing kpt #: 213 total cpu time spent up to now is 312.5 secs Computing kpt #: 214 total cpu time spent up to now is 313.5 secs Computing kpt #: 215 total cpu time spent up to now is 315.0 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 317.0 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.2 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.2 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.1 secs Computing kpt #: 220 total cpu time spent up to now is 324.5 secs Computing kpt #: 221 total cpu time spent up to now is 326.3 secs Computing kpt #: 222 total cpu time spent up to now is 327.7 secs Computing kpt #: 223 total cpu time spent up to now is 329.0 secs Computing kpt #: 224 total cpu time spent up to now is 330.3 secs Computing kpt #: 225 total cpu time spent up to now is 331.5 secs Computing kpt #: 226 total cpu time spent up to now is 332.7 secs Computing kpt #: 227 total cpu time spent up to now is 333.9 secs Computing kpt #: 228 total cpu time spent up to now is 335.0 secs Computing kpt #: 229 total cpu time spent up to now is 336.2 secs Computing kpt #: 230 total cpu time spent up to now is 337.5 secs Computing kpt #: 231 total cpu time spent up to now is 338.7 secs Computing kpt #: 232 total cpu time spent up to now is 339.9 secs Computing kpt #: 233 total cpu time spent up to now is 341.0 secs Computing kpt #: 234 total cpu time spent up to now is 342.2 secs Computing kpt #: 235 total cpu time spent up to now is 343.4 secs Computing kpt #: 236 total cpu time spent up to now is 344.7 secs Computing kpt #: 237 total cpu time spent up to now is 346.0 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.9 secs Computing kpt #: 239 total cpu time spent up to now is 349.1 secs Computing kpt #: 240 total cpu time spent up to now is 350.8 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 352.6 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.5 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.2 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.1 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.0 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.8 secs ethr = 2.08E-08, avg # of iterations = 74.8 total cpu time spent up to now is 363.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9558 -13.9558 -13.9558 -13.9558 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5555 -13.5555 -13.4572 -13.4572 -13.2984 -13.2984 -13.2984 -13.2984 -4.2489 -4.2489 -4.2489 -4.2489 -4.1947 -4.1947 -2.0862 -2.0862 -2.0862 -2.0862 -2.0810 -2.0810 1.2959 1.2959 6.8215 6.8215 6.9111 6.9111 6.9111 6.9111 8.8556 8.8556 8.9031 8.9031 8.9031 8.9031 9.8293 9.8293 9.8293 9.8293 9.8510 9.8510 9.8907 9.8907 k = 0.0000 0.0156-0.0000 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9558 -13.9558 -13.9557 -13.9557 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5556 -13.5556 -13.4572 -13.4572 -13.2986 -13.2986 -13.2985 -13.2985 -4.2489 -4.2489 -4.2489 -4.2489 -4.1941 -4.1941 -2.0862 -2.0862 -2.0861 -2.0861 -2.0810 -2.0810 1.2968 1.2968 6.8202 6.8202 6.9088 6.9088 6.9108 6.9108 8.8115 8.8115 8.9047 8.9047 8.9356 8.9356 9.7876 9.7876 9.8060 9.8060 9.8382 9.8382 9.9085 9.9085 k = 0.0000 0.0312-0.0000 ( 4389 PWs) bands (ev): -32.6158 -32.6158 -32.5601 -32.5601 -32.5600 -32.5600 -13.9557 -13.9557 -13.9555 -13.9555 -13.8618 -13.8618 -13.6115 -13.6115 -13.6114 -13.6114 -13.5557 -13.5557 -13.4572 -13.4572 -13.2992 -13.2992 -13.2986 -13.2986 -4.2489 -4.2489 -4.2488 -4.2488 -4.1923 -4.1923 -2.0861 -2.0861 -2.0859 -2.0859 -2.0809 -2.0809 1.2995 1.2995 6.8159 6.8159 6.9023 6.9023 6.9102 6.9102 8.7401 8.7401 8.9096 8.9096 8.9721 8.9721 9.7170 9.7170 9.7610 9.7610 9.8393 9.8393 9.9415 9.9416 k = 0.0000 0.0469-0.0000 ( 4397 PWs) bands (ev): -32.6157 -32.6157 -32.5603 -32.5603 -32.5600 -32.5600 -13.9556 -13.9556 -13.9551 -13.9551 -13.8619 -13.8619 -13.6116 -13.6116 -13.6112 -13.6112 -13.5558 -13.5558 -13.4572 -13.4572 -13.3001 -13.3001 -13.2989 -13.2989 -4.2488 -4.2488 -4.2487 -4.2487 -4.1893 -4.1893 -2.0860 -2.0860 -2.0856 -2.0856 -2.0809 -2.0809 1.3041 1.3041 6.8077 6.8077 6.8929 6.8929 6.9091 6.9091 8.6577 8.6577 8.9176 8.9176 8.9955 8.9955 9.6461 9.6461 9.7123 9.7123 9.8423 9.8423 9.9819 9.9820 k = 0.0000 0.0625-0.0000 ( 4405 PWs) bands (ev): -32.6155 -32.6155 -32.5605 -32.5605 -32.5600 -32.5600 -13.9555 -13.9555 -13.9545 -13.9545 -13.8620 -13.8620 -13.6116 -13.6116 -13.6110 -13.6110 -13.5560 -13.5560 -13.4572 -13.4572 -13.3014 -13.3014 -13.2993 -13.2993 -4.2488 -4.2488 -4.2484 -4.2484 -4.1851 -4.1851 -2.0858 -2.0858 -2.0851 -2.0851 -2.0808 -2.0808 1.3104 1.3104 6.7939 6.7939 6.8826 6.8826 6.9076 6.9076 8.5665 8.5665 8.9289 8.9289 9.0035 9.0035 9.5765 9.5765 9.6691 9.6691 9.8466 9.8466 10.0301 10.0301 k = 0.0000 0.0781-0.0000 ( 4401 PWs) bands (ev): -32.6152 -32.6152 -32.5607 -32.5607 -32.5600 -32.5600 -13.9553 -13.9553 -13.9538 -13.9538 -13.8621 -13.8621 -13.6116 -13.6116 -13.6106 -13.6106 -13.5562 -13.5562 -13.4573 -13.4573 -13.3030 -13.3030 -13.2997 -13.2997 -4.2487 -4.2487 -4.2482 -4.2482 -4.1799 -4.1799 -2.0856 -2.0856 -2.0846 -2.0846 -2.0806 -2.0806 1.3185 1.3185 6.7730 6.7730 6.8733 6.8733 6.9057 6.9057 8.4676 8.4676 8.9433 8.9433 8.9947 8.9947 9.5084 9.5084 9.6379 9.6379 9.8521 9.8521 10.0858 10.0858 k = 0.0000 0.0938-0.0000 ( 4409 PWs) bands (ev): -32.6149 -32.6149 -32.5611 -32.5611 -32.5600 -32.5600 -13.9551 -13.9551 -13.9530 -13.9530 -13.8622 -13.8622 -13.6116 -13.6116 -13.6103 -13.6103 -13.5565 -13.5565 -13.4573 -13.4573 -13.3049 -13.3049 -13.3002 -13.3002 -4.2485 -4.2485 -4.2479 -4.2479 -4.1735 -4.1735 -2.0854 -2.0854 -2.0839 -2.0839 -2.0805 -2.0805 1.3283 1.3283 6.7446 6.7446 6.8659 6.8659 6.9034 6.9034 8.3622 8.3622 8.9608 8.9608 8.9700 8.9700 9.4422 9.4422 9.6220 9.6220 9.8589 9.8589 10.1484 10.1484 k = 0.0000 0.1094-0.0000 ( 4409 PWs) bands (ev): -32.6145 -32.6145 -32.5614 -32.5614 -32.5600 -32.5600 -13.9549 -13.9549 -13.9519 -13.9519 -13.8623 -13.8623 -13.6116 -13.6116 -13.6098 -13.6098 -13.5568 -13.5568 -13.4573 -13.4573 -13.3071 -13.3071 -13.3008 -13.3008 -4.2484 -4.2484 -4.2475 -4.2475 -4.1661 -4.1661 -2.0852 -2.0852 -2.0831 -2.0831 -2.0803 -2.0803 1.3398 1.3398 6.7095 6.7095 6.8603 6.8603 6.9007 6.9007 8.2516 8.2516 8.9322 8.9322 8.9814 8.9814 9.3778 9.3778 9.6210 9.6210 9.8668 9.8668 10.2168 10.2168 k = 0.0000 0.1250-0.0000 ( 4405 PWs) bands (ev): -32.6141 -32.6141 -32.5619 -32.5619 -32.5600 -32.5600 -13.9546 -13.9546 -13.9508 -13.9508 -13.8625 -13.8625 -13.6116 -13.6116 -13.6092 -13.6092 -13.5572 -13.5572 -13.4572 -13.4572 -13.3097 -13.3097 -13.3015 -13.3015 -4.2482 -4.2482 -4.2471 -4.2471 -4.1578 -4.1578 -2.0849 -2.0849 -2.0822 -2.0822 -2.0801 -2.0801 1.3528 1.3528 6.6690 6.6690 6.8559 6.8559 6.8978 6.8978 8.1369 8.1369 8.8850 8.8850 9.0050 9.0050 9.3154 9.3154 9.6328 9.6328 9.8759 9.8759 10.2900 10.2900 k = 0.0000 0.1406-0.0000 ( 4397 PWs) bands (ev): -32.6136 -32.6136 -32.5623 -32.5623 -32.5600 -32.5600 -13.9543 -13.9543 -13.9495 -13.9495 -13.8627 -13.8627 -13.6116 -13.6116 -13.6086 -13.6086 -13.5576 -13.5576 -13.4571 -13.4571 -13.3125 -13.3125 -13.3023 -13.3023 -4.2481 -4.2481 -4.2466 -4.2466 -4.1485 -4.1485 -2.0845 -2.0845 -2.0812 -2.0812 -2.0799 -2.0799 1.3673 1.3673 6.6241 6.6241 6.8523 6.8523 6.8945 6.8945 8.0193 8.0193 8.8322 8.8322 9.0315 9.0315 9.2551 9.2551 9.6547 9.6547 9.8860 9.8860 10.3670 10.3670 k = 0.0000 0.1562-0.0000 ( 4413 PWs) bands (ev): -32.6131 -32.6131 -32.5629 -32.5629 -32.5600 -32.5600 -13.9541 -13.9541 -13.9480 -13.9480 -13.8630 -13.8630 -13.6117 -13.6117 -13.6080 -13.6080 -13.5581 -13.5581 -13.4570 -13.4570 -13.3156 -13.3156 -13.3032 -13.3032 -4.2479 -4.2479 -4.2461 -4.2461 -4.1385 -4.1385 -2.0842 -2.0842 -2.0801 -2.0801 -2.0796 -2.0796 1.3832 1.3832 6.5759 6.5759 6.8491 6.8491 6.8910 6.8910 7.8998 7.8998 8.7766 8.7766 9.0607 9.0607 9.1970 9.1970 9.6842 9.6842 9.8972 9.8972 10.4470 10.4470 k = 0.0000 0.1719-0.0000 ( 4412 PWs) bands (ev): -32.6125 -32.6125 -32.5635 -32.5635 -32.5600 -32.5600 -13.9537 -13.9537 -13.9465 -13.9465 -13.8633 -13.8633 -13.6118 -13.6118 -13.6073 -13.6073 -13.5587 -13.5587 -13.4567 -13.4567 -13.3190 -13.3190 -13.3040 -13.3040 -4.2477 -4.2477 -4.2455 -4.2455 -4.1278 -4.1278 -2.0838 -2.0838 -2.0793 -2.0793 -2.0790 -2.0790 1.4005 1.4005 6.5252 6.5252 6.8462 6.8462 6.8873 6.8873 7.7796 7.7796 8.7201 8.7201 9.0918 9.0918 9.1420 9.1420 9.7198 9.7198 9.9093 9.9093 10.5294 10.5294 k = 0.0000 0.1875-0.0000 ( 4412 PWs) bands (ev): -32.6118 -32.6118 -32.5641 -32.5641 -32.5600 -32.5600 -13.9534 -13.9534 -13.9448 -13.9448 -13.8637 -13.8637 -13.6119 -13.6119 -13.6064 -13.6064 -13.5593 -13.5593 -13.4564 -13.4564 -13.3226 -13.3226 -13.3050 -13.3050 -4.2475 -4.2475 -4.2450 -4.2450 -4.1164 -4.1164 -2.0834 -2.0834 -2.0791 -2.0791 -2.0778 -2.0778 1.4189 1.4189 6.4728 6.4728 6.8434 6.8434 6.8833 6.8833 7.6595 7.6595 8.6641 8.6641 9.0840 9.0840 9.1307 9.1307 9.7601 9.7601 9.9224 9.9224 10.6137 10.6137 k = 0.0000 0.2031-0.0000 ( 4404 PWs) bands (ev): -32.6111 -32.6111 -32.5648 -32.5648 -32.5600 -32.5600 -13.9529 -13.9529 -13.9430 -13.9430 -13.8641 -13.8641 -13.6120 -13.6120 -13.6055 -13.6055 -13.5599 -13.5599 -13.4560 -13.4560 -13.3265 -13.3265 -13.3059 -13.3059 -4.2472 -4.2472 -4.2444 -4.2444 -4.1045 -4.1045 -2.0830 -2.0830 -2.0788 -2.0788 -2.0765 -2.0765 1.4383 1.4383 6.4194 6.4194 6.8406 6.8406 6.8793 6.8793 7.5403 7.5403 8.6092 8.6092 9.0337 9.0337 9.1668 9.1668 9.8045 9.8045 9.9363 9.9363 10.6993 10.6993 k = 0.0000 0.2188-0.0000 ( 4408 PWs) bands (ev): -32.6104 -32.6104 -32.5655 -32.5655 -32.5600 -32.5600 -13.9526 -13.9526 -13.9411 -13.9411 -13.8646 -13.8646 -13.6121 -13.6121 -13.6046 -13.6046 -13.5606 -13.5606 -13.4555 -13.4555 -13.3305 -13.3305 -13.3069 -13.3069 -4.2470 -4.2470 -4.2438 -4.2438 -4.0922 -4.0922 -2.0826 -2.0826 -2.0785 -2.0785 -2.0752 -2.0752 1.4587 1.4587 6.3657 6.3657 6.8378 6.8378 6.8751 6.8751 7.4227 7.4227 8.5560 8.5560 8.9846 8.9846 9.2063 9.2063 9.8523 9.8523 9.9510 9.9510 10.7858 10.7858 k = 0.0000 0.2344-0.0000 ( 4412 PWs) bands (ev): -32.6096 -32.6096 -32.5662 -32.5662 -32.5600 -32.5600 -13.9522 -13.9522 -13.9391 -13.9391 -13.8651 -13.8651 -13.6123 -13.6123 -13.6036 -13.6036 -13.5613 -13.5613 -13.4549 -13.4549 -13.3348 -13.3348 -13.3080 -13.3080 -4.2468 -4.2468 -4.2432 -4.2432 -4.0796 -4.0796 -2.0822 -2.0822 -2.0781 -2.0781 -2.0739 -2.0739 1.4798 1.4798 6.3124 6.3124 6.8349 6.8349 6.8709 6.8709 7.3076 7.3076 8.5050 8.5050 8.9377 8.9377 9.2482 9.2482 9.9030 9.9030 9.9664 9.9664 10.8728 10.8728 k = 0.0000 0.2500-0.0000 ( 4408 PWs) bands (ev): -32.6088 -32.6088 -32.5670 -32.5670 -32.5599 -32.5599 -13.9518 -13.9518 -13.9370 -13.9370 -13.8657 -13.8657 -13.6125 -13.6125 -13.6025 -13.6025 -13.5621 -13.5621 -13.4541 -13.4541 -13.3391 -13.3391 -13.3090 -13.3090 -4.2465 -4.2465 -4.2425 -4.2425 -4.0669 -4.0669 -2.0818 -2.0818 -2.0778 -2.0778 -2.0726 -2.0726 1.5015 1.5015 6.2600 6.2600 6.8315 6.8315 6.8667 6.8667 7.1957 7.1957 8.4562 8.4562 8.8932 8.8932 9.2921 9.2921 9.9566 9.9566 9.9823 9.9823 10.9600 10.9600 k = 0.0000 0.2656-0.0000 ( 4416 PWs) bands (ev): -32.6080 -32.6080 -32.5679 -32.5679 -32.5599 -32.5599 -13.9514 -13.9514 -13.9348 -13.9348 -13.8665 -13.8665 -13.6127 -13.6127 -13.6014 -13.6014 -13.5629 -13.5629 -13.4531 -13.4531 -13.3437 -13.3437 -13.3101 -13.3101 -4.2463 -4.2463 -4.2419 -4.2419 -4.0541 -4.0541 -2.0814 -2.0814 -2.0775 -2.0775 -2.0713 -2.0713 1.5236 1.5236 6.2091 6.2091 6.8272 6.8272 6.8625 6.8625 7.0881 7.0881 8.4098 8.4098 8.8511 8.8511 9.3378 9.3378 9.9987 9.9987 10.0126 10.0126 11.0470 11.0470 k = 0.0000 0.2812-0.0000 ( 4416 PWs) bands (ev): -32.6071 -32.6071 -32.5687 -32.5687 -32.5599 -32.5599 -13.9511 -13.9511 -13.9325 -13.9325 -13.8672 -13.8672 -13.6129 -13.6129 -13.6003 -13.6003 -13.5639 -13.5639 -13.4520 -13.4520 -13.3484 -13.3484 -13.3111 -13.3111 -4.2461 -4.2461 -4.2413 -4.2413 -4.0413 -4.0413 -2.0810 -2.0810 -2.0771 -2.0771 -2.0700 -2.0700 1.5458 1.5458 6.1601 6.1601 6.8198 6.8198 6.8583 6.8583 6.9872 6.9872 8.3660 8.3660 8.8114 8.8114 9.3850 9.3850 10.0153 10.0153 10.0710 10.0710 11.1337 11.1337 k = 0.0000 0.2969-0.0000 ( 4396 PWs) bands (ev): -32.6062 -32.6062 -32.5696 -32.5696 -32.5599 -32.5599 -13.9506 -13.9506 -13.9302 -13.9302 -13.8681 -13.8681 -13.6131 -13.6131 -13.5990 -13.5990 -13.5648 -13.5648 -13.4506 -13.4506 -13.3531 -13.3531 -13.3121 -13.3121 -4.2459 -4.2459 -4.2407 -4.2407 -4.0288 -4.0288 -2.0806 -2.0806 -2.0768 -2.0768 -2.0687 -2.0687 1.5680 1.5680 6.1136 6.1136 6.8010 6.8010 6.8543 6.8543 6.9021 6.9021 8.3249 8.3249 8.7744 8.7744 9.4334 9.4334 10.0322 10.0322 10.1315 10.1315 11.2195 11.2195 k = 0.0000 0.3125-0.0000 ( 4384 PWs) bands (ev): -32.6053 -32.6053 -32.5705 -32.5705 -32.5599 -32.5599 -13.9503 -13.9503 -13.9278 -13.9278 -13.8689 -13.8689 -13.6133 -13.6133 -13.5977 -13.5977 -13.5657 -13.5657 -13.4491 -13.4491 -13.3578 -13.3578 -13.3130 -13.3130 -4.2456 -4.2456 -4.2401 -4.2401 -4.0166 -4.0166 -2.0802 -2.0802 -2.0765 -2.0765 -2.0674 -2.0674 1.5899 1.5899 6.0700 6.0700 6.7464 6.7464 6.8504 6.8504 6.8572 6.8572 8.2866 8.2866 8.7399 8.7399 9.4824 9.4824 10.0490 10.0490 10.1941 10.1941 11.3043 11.3043 k = 0.0000 0.3281-0.0000 ( 4380 PWs) bands (ev): -32.6044 -32.6044 -32.5714 -32.5714 -32.5599 -32.5599 -13.9499 -13.9499 -13.9254 -13.9254 -13.8700 -13.8700 -13.6136 -13.6136 -13.5964 -13.5964 -13.5668 -13.5668 -13.4474 -13.4474 -13.3627 -13.3627 -13.3140 -13.3140 -4.2454 -4.2454 -4.2395 -4.2395 -4.0048 -4.0048 -2.0799 -2.0799 -2.0761 -2.0761 -2.0662 -2.0662 1.6114 1.6114 6.0297 6.0297 6.6658 6.6658 6.8434 6.8434 6.8467 6.8467 8.2510 8.2510 8.7081 8.7081 9.5318 9.5318 10.0658 10.0658 10.2587 10.2587 11.3875 11.3875 k = 0.0000 0.3438-0.0000 ( 4388 PWs) bands (ev): -32.6035 -32.6035 -32.5723 -32.5723 -32.5599 -32.5599 -13.9496 -13.9496 -13.9230 -13.9230 -13.8711 -13.8711 -13.6139 -13.6139 -13.5951 -13.5951 -13.5679 -13.5679 -13.4455 -13.4455 -13.3676 -13.3676 -13.3149 -13.3149 -4.2452 -4.2452 -4.2390 -4.2390 -3.9936 -3.9936 -2.0795 -2.0795 -2.0758 -2.0758 -2.0651 -2.0651 1.6321 1.6321 5.9931 5.9931 6.5824 6.5824 6.8378 6.8378 6.8432 6.8432 8.2184 8.2184 8.6789 8.6789 9.5810 9.5810 10.0820 10.0820 10.3250 10.3250 11.4686 11.4686 k = 0.0000 0.3594-0.0000 ( 4392 PWs) bands (ev): -32.6025 -32.6025 -32.5732 -32.5732 -32.5599 -32.5599 -13.9493 -13.9493 -13.9206 -13.9206 -13.8722 -13.8722 -13.6141 -13.6141 -13.5938 -13.5938 -13.5690 -13.5690 -13.4434 -13.4434 -13.3725 -13.3725 -13.3158 -13.3158 -4.2450 -4.2450 -4.2385 -4.2385 -3.9830 -3.9830 -2.0792 -2.0792 -2.0755 -2.0755 -2.0640 -2.0640 1.6518 1.6518 5.9604 5.9604 6.5023 6.5023 6.8346 6.8346 6.8399 6.8399 8.1886 8.1886 8.6523 8.6523 9.6294 9.6294 10.0977 10.0977 10.3932 10.3932 11.5459 11.5459 k = 0.0000 0.3750-0.0000 ( 4408 PWs) bands (ev): -32.6017 -32.6017 -32.5741 -32.5741 -32.5599 -32.5599 -13.9491 -13.9491 -13.9183 -13.9183 -13.8735 -13.8735 -13.6144 -13.6144 -13.5924 -13.5924 -13.5702 -13.5702 -13.4411 -13.4411 -13.3775 -13.3775 -13.3166 -13.3166 -4.2449 -4.2449 -4.2380 -4.2380 -3.9733 -3.9733 -2.0790 -2.0790 -2.0752 -2.0752 -2.0630 -2.0630 1.6703 1.6703 5.9319 5.9319 6.4273 6.4273 6.8325 6.8325 6.8369 6.8369 8.1618 8.1618 8.6285 8.6285 9.6762 9.6762 10.1127 10.1127 10.4628 10.4628 11.6108 11.6108 k = 0.0000 0.3906-0.0000 ( 4404 PWs) bands (ev): -32.6008 -32.6008 -32.5749 -32.5749 -32.5599 -32.5599 -13.9488 -13.9488 -13.9160 -13.9160 -13.8748 -13.8748 -13.6147 -13.6147 -13.5910 -13.5910 -13.5714 -13.5714 -13.4385 -13.4385 -13.3824 -13.3824 -13.3173 -13.3173 -4.2447 -4.2447 -4.2376 -4.2376 -3.9644 -3.9644 -2.0787 -2.0787 -2.0750 -2.0750 -2.0622 -2.0622 1.6873 1.6873 5.9077 5.9077 6.3583 6.3583 6.8310 6.8310 6.8342 6.8342 8.1381 8.1381 8.6075 8.6075 9.7209 9.7209 10.1266 10.1266 10.5338 10.5338 11.6004 11.6004 k = 0.0000 0.4062-0.0000 ( 4408 PWs) bands (ev): -32.6000 -32.6000 -32.5757 -32.5757 -32.5599 -32.5599 -13.9486 -13.9486 -13.9138 -13.9138 -13.8761 -13.8761 -13.6149 -13.6149 -13.5896 -13.5896 -13.5726 -13.5726 -13.4358 -13.4358 -13.3872 -13.3872 -13.3180 -13.3180 -4.2446 -4.2446 -4.2372 -4.2372 -3.9565 -3.9565 -2.0785 -2.0785 -2.0748 -2.0748 -2.0614 -2.0614 1.7026 1.7026 5.8880 5.8880 6.2961 6.2961 6.8298 6.8298 6.8318 6.8318 8.1174 8.1174 8.5892 8.5892 9.7624 9.7624 10.1392 10.1392 10.6059 10.6059 11.5392 11.5392 k = 0.0000 0.4219-0.0000 ( 4408 PWs) bands (ev): -32.5992 -32.5992 -32.5765 -32.5765 -32.5599 -32.5599 -13.9484 -13.9484 -13.9117 -13.9117 -13.8774 -13.8774 -13.6151 -13.6151 -13.5881 -13.5881 -13.5739 -13.5739 -13.4328 -13.4328 -13.3919 -13.3919 -13.3185 -13.3185 -4.2444 -4.2444 -4.2369 -4.2369 -3.9497 -3.9497 -2.0783 -2.0783 -2.0746 -2.0746 -2.0607 -2.0607 1.7160 1.7160 5.8726 5.8726 6.2411 6.2411 6.8289 6.8289 6.8298 6.8298 8.0999 8.0999 8.5736 8.5736 9.7999 9.7999 10.1503 10.1503 10.6788 10.6788 11.4705 11.4705 k = 0.0000 0.4375-0.0000 ( 4400 PWs) bands (ev): -32.5986 -32.5986 -32.5771 -32.5771 -32.5599 -32.5599 -13.9482 -13.9482 -13.9098 -13.9098 -13.8786 -13.8786 -13.6153 -13.6153 -13.5867 -13.5867 -13.5752 -13.5752 -13.4296 -13.4296 -13.3965 -13.3965 -13.3190 -13.3190 -4.2443 -4.2443 -4.2366 -4.2366 -3.9440 -3.9440 -2.0782 -2.0782 -2.0744 -2.0744 -2.0601 -2.0601 1.7272 1.7272 5.8614 5.8614 6.1942 6.1942 6.8281 6.8281 6.8282 6.8282 8.0854 8.0854 8.5609 8.5609 9.8324 9.8324 10.1599 10.1599 10.7521 10.7521 11.3994 11.3994 k = 0.0000 0.4531-0.0000 ( 4404 PWs) bands (ev): -32.5980 -32.5980 -32.5777 -32.5777 -32.5599 -32.5599 -13.9481 -13.9481 -13.9082 -13.9082 -13.8796 -13.8796 -13.6154 -13.6154 -13.5852 -13.5852 -13.5766 -13.5766 -13.4263 -13.4263 -13.4009 -13.4009 -13.3193 -13.3193 -4.2443 -4.2443 -4.2364 -4.2364 -3.9395 -3.9395 -2.0781 -2.0781 -2.0743 -2.0743 -2.0597 -2.0597 1.7361 1.7361 5.8538 5.8538 6.1561 6.1561 6.8267 6.8267 6.8277 6.8277 8.0742 8.0742 8.5510 8.5510 9.8589 9.8589 10.1675 10.1675 10.8247 10.8247 11.3278 11.3278 k = 0.0000 0.4688-0.0000 ( 4404 PWs) bands (ev): -32.5976 -32.5976 -32.5781 -32.5781 -32.5599 -32.5599 -13.9480 -13.9480 -13.9070 -13.9070 -13.8805 -13.8805 -13.6155 -13.6155 -13.5837 -13.5837 -13.5780 -13.5780 -13.4229 -13.4229 -13.4052 -13.4052 -13.3196 -13.3196 -4.2442 -4.2442 -4.2363 -4.2363 -3.9363 -3.9363 -2.0780 -2.0780 -2.0742 -2.0742 -2.0594 -2.0594 1.7426 1.7426 5.8493 5.8493 6.1279 6.1279 6.8258 6.8258 6.8274 6.8274 8.0661 8.0661 8.5439 8.5439 9.8785 9.8785 10.1730 10.1730 10.8946 10.8946 11.2584 11.2584 k = 0.0000 0.4844-0.0000 ( 4412 PWs) bands (ev): -32.5973 -32.5973 -32.5784 -32.5784 -32.5599 -32.5599 -13.9480 -13.9480 -13.9062 -13.9062 -13.8810 -13.8810 -13.6156 -13.6156 -13.5823 -13.5823 -13.5794 -13.5794 -13.4197 -13.4197 -13.4089 -13.4089 -13.3198 -13.3198 -4.2442 -4.2442 -4.2362 -4.2362 -3.9343 -3.9343 -2.0779 -2.0779 -2.0741 -2.0741 -2.0592 -2.0592 1.7465 1.7465 5.8470 5.8470 6.1104 6.1104 6.8252 6.8252 6.8272 6.8272 8.0613 8.0613 8.5397 8.5397 9.8906 9.8906 10.1764 10.1764 10.9550 10.9550 11.1981 11.1981 k = 0.0000 0.5000-0.0000 ( 4436 PWs) bands (ev): -32.5972 -32.5972 -32.5785 -32.5785 -32.5599 -32.5599 -13.9481 -13.9481 -13.9060 -13.9060 -13.8813 -13.8813 -13.6157 -13.6157 -13.5812 -13.5812 -13.5807 -13.5807 -13.4180 -13.4180 -13.4109 -13.4109 -13.3198 -13.3198 -4.2442 -4.2442 -4.2361 -4.2361 -3.9337 -3.9337 -2.0779 -2.0779 -2.0741 -2.0741 -2.0591 -2.0591 1.7478 1.7478 5.8463 5.8463 6.1044 6.1044 6.8250 6.8250 6.8271 6.8271 8.0597 8.0597 8.5382 8.5382 9.8947 9.8947 10.1775 10.1775 10.9836 10.9836 11.1695 11.1695 k = 0.0000 0.5000-0.0000 ( 4436 PWs) bands (ev): -32.5972 -32.5972 -32.5785 -32.5785 -32.5599 -32.5599 -13.9481 -13.9481 -13.9060 -13.9060 -13.8813 -13.8813 -13.6157 -13.6157 -13.5812 -13.5812 -13.5807 -13.5807 -13.4180 -13.4180 -13.4109 -13.4109 -13.3198 -13.3198 -4.2442 -4.2442 -4.2361 -4.2361 -3.9337 -3.9337 -2.0779 -2.0779 -2.0741 -2.0741 -2.0591 -2.0591 1.7478 1.7478 5.8463 5.8463 6.1044 6.1044 6.8250 6.8250 6.8271 6.8271 8.0597 8.0597 8.5382 8.5382 9.8947 9.8947 10.1775 10.1775 10.9836 10.9836 11.1695 11.1695 k = 0.0156 0.5000-0.0000 ( 4416 PWs) bands (ev): -32.5972 -32.5972 -32.5785 -32.5785 -32.5599 -32.5599 -13.9480 -13.9480 -13.9061 -13.9061 -13.8812 -13.8812 -13.6157 -13.6157 -13.5833 -13.5833 -13.5784 -13.5784 -13.4203 -13.4203 -13.4087 -13.4087 -13.3197 -13.3197 -4.2441 -4.2441 -4.2361 -4.2361 -3.9331 -3.9331 -2.0779 -2.0779 -2.0741 -2.0741 -2.0591 -2.0591 1.7486 1.7486 5.8458 5.8458 6.1028 6.1028 6.8243 6.8243 6.8264 6.8264 8.0577 8.0577 8.5357 8.5357 9.8977 9.8977 10.1791 10.1791 10.9840 10.9840 11.1724 11.1724 k = 0.0312 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5971 -32.5971 -32.5785 -32.5785 -32.5600 -32.5600 -13.9478 -13.9478 -13.9064 -13.9064 -13.8811 -13.8811 -13.6157 -13.6157 -13.5854 -13.5854 -13.5759 -13.5759 -13.4246 -13.4246 -13.4049 -13.4049 -13.3194 -13.3194 -4.2441 -4.2441 -4.2362 -4.2362 -3.9313 -3.9313 -2.0778 -2.0778 -2.0741 -2.0741 -2.0590 -2.0590 1.7507 1.7507 5.8444 5.8444 6.0977 6.0977 6.8222 6.8222 6.8244 6.8244 8.0518 8.0518 8.5284 8.5284 9.9063 9.9063 10.1837 10.1837 10.9849 10.9849 11.1810 11.1810 k = 0.0469 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5970 -32.5970 -32.5785 -32.5785 -32.5601 -32.5601 -13.9477 -13.9477 -13.9071 -13.9071 -13.8810 -13.8810 -13.6159 -13.6159 -13.5875 -13.5875 -13.5733 -13.5733 -13.4293 -13.4293 -13.4010 -13.4010 -13.3189 -13.3189 -4.2440 -4.2440 -4.2362 -4.2362 -3.9284 -3.9284 -2.0776 -2.0776 -2.0742 -2.0742 -2.0590 -2.0590 1.7543 1.7543 5.8418 5.8418 6.0892 6.0892 6.8185 6.8185 6.8213 6.8213 8.0419 8.0419 8.5168 8.5168 9.9204 9.9204 10.1914 10.1914 10.9865 10.9865 11.1951 11.1951 k = 0.0625 0.5000-0.0000 ( 4410 PWs) bands (ev): -32.5969 -32.5969 -32.5785 -32.5785 -32.5602 -32.5602 -13.9475 -13.9475 -13.9079 -13.9079 -13.8808 -13.8808 -13.6162 -13.6162 -13.5895 -13.5895 -13.5707 -13.5707 -13.4342 -13.4342 -13.3974 -13.3974 -13.3182 -13.3182 -4.2440 -4.2440 -4.2362 -4.2362 -3.9244 -3.9244 -2.0774 -2.0774 -2.0742 -2.0742 -2.0589 -2.0589 1.7593 1.7593 5.8379 5.8379 6.0775 6.0775 6.8137 6.8137 6.8172 6.8172 8.0278 8.0278 8.5020 8.5020 9.9393 9.9393 10.2020 10.2020 10.9886 10.9886 11.2144 11.2144 k = 0.0781 0.5000-0.0000 ( 4394 PWs) bands (ev): -32.5967 -32.5967 -32.5784 -32.5784 -32.5604 -32.5604 -13.9473 -13.9473 -13.9089 -13.9089 -13.8806 -13.8806 -13.6165 -13.6165 -13.5912 -13.5912 -13.5680 -13.5680 -13.4391 -13.4391 -13.3940 -13.3940 -13.3172 -13.3172 -4.2438 -4.2438 -4.2363 -4.2363 -3.9194 -3.9194 -2.0771 -2.0771 -2.0743 -2.0743 -2.0587 -2.0587 1.7656 1.7656 5.8325 5.8325 6.0626 6.0626 6.8083 6.8083 6.8122 6.8122 8.0094 8.0094 8.4850 8.4850 9.9626 9.9626 10.2157 10.2157 10.9912 10.9912 11.2388 11.2388 k = 0.0938 0.5000-0.0000 ( 4398 PWs) bands (ev): -32.5964 -32.5964 -32.5784 -32.5784 -32.5607 -32.5607 -13.9470 -13.9470 -13.9101 -13.9101 -13.8804 -13.8804 -13.6169 -13.6169 -13.5928 -13.5928 -13.5654 -13.5654 -13.4441 -13.4441 -13.3910 -13.3910 -13.3160 -13.3160 -4.2437 -4.2437 -4.2363 -4.2363 -3.9132 -3.9132 -2.0768 -2.0768 -2.0743 -2.0743 -2.0586 -2.0586 1.7733 1.7733 5.8251 5.8251 6.0446 6.0446 6.8027 6.8027 6.8062 6.8062 7.9867 7.9867 8.4669 8.4669 9.9896 9.9896 10.2321 10.2321 10.9942 10.9942 11.2677 11.2677 k = 0.1094 0.5000-0.0000 ( 4394 PWs) bands (ev): -32.5961 -32.5961 -32.5784 -32.5784 -32.5609 -32.5609 -13.9467 -13.9467 -13.9114 -13.9114 -13.8803 -13.8803 -13.6174 -13.6174 -13.5942 -13.5942 -13.5629 -13.5629 -13.4491 -13.4491 -13.3884 -13.3884 -13.3145 -13.3145 -4.2435 -4.2435 -4.2364 -4.2364 -3.9061 -3.9061 -2.0765 -2.0765 -2.0743 -2.0743 -2.0584 -2.0584 1.7823 1.7823 5.8156 5.8156 6.0236 6.0236 6.7976 6.7976 6.7994 6.7994 7.9598 7.9598 8.4487 8.4487 10.0198 10.0198 10.2513 10.2513 10.9976 10.9976 11.3006 11.3006 k = 0.1250 0.5000-0.0000 ( 4392 PWs) bands (ev): -32.5958 -32.5958 -32.5784 -32.5784 -32.5613 -32.5613 -13.9464 -13.9464 -13.9127 -13.9127 -13.8802 -13.8802 -13.6181 -13.6181 -13.5953 -13.5953 -13.5603 -13.5603 -13.4539 -13.4539 -13.3861 -13.3861 -13.3128 -13.3128 -4.2433 -4.2433 -4.2365 -4.2365 -3.8981 -3.8981 -2.0763 -2.0763 -2.0742 -2.0742 -2.0581 -2.0581 1.7925 1.7925 5.8035 5.8035 5.9998 5.9998 6.7917 6.7917 6.7937 6.7937 7.9290 7.9290 8.4312 8.4312 10.0528 10.0528 10.2729 10.2729 11.0011 11.0011 11.3372 11.3372 k = 0.1406 0.5000-0.0000 ( 4394 PWs) bands (ev): -32.5954 -32.5954 -32.5784 -32.5784 -32.5616 -32.5616 -13.9461 -13.9461 -13.9141 -13.9141 -13.8802 -13.8802 -13.6188 -13.6188 -13.5963 -13.5963 -13.5579 -13.5579 -13.4587 -13.4587 -13.3843 -13.3843 -13.3109 -13.3109 -4.2431 -4.2431 -4.2366 -4.2366 -3.8892 -3.8892 -2.0762 -2.0762 -2.0740 -2.0740 -2.0579 -2.0579 1.8040 1.8040 5.7885 5.7885 5.9734 5.9734 6.7834 6.7834 6.7915 6.7915 7.8948 7.8948 8.4148 8.4148 10.0881 10.0881 10.2970 10.2970 11.0048 11.0048 11.3732 11.3744 k = 0.1562 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5950 -32.5950 -32.5784 -32.5784 -32.5620 -32.5620 -13.9458 -13.9458 -13.9156 -13.9156 -13.8803 -13.8803 -13.6196 -13.6196 -13.5970 -13.5970 -13.5556 -13.5556 -13.4633 -13.4633 -13.3828 -13.3828 -13.3089 -13.3089 -4.2429 -4.2429 -4.2367 -4.2367 -3.8796 -3.8796 -2.0762 -2.0762 -2.0736 -2.0736 -2.0576 -2.0576 1.8165 1.8165 5.7706 5.7706 5.9445 5.9445 6.7744 6.7744 6.7916 6.7916 7.8579 7.8579 8.3999 8.3999 10.1253 10.1253 10.3232 10.3232 11.0084 11.0084 11.3388 11.3388 k = 0.1719 0.5000-0.0000 ( 4406 PWs) bands (ev): -32.5945 -32.5945 -32.5784 -32.5784 -32.5625 -32.5625 -13.9455 -13.9455 -13.9170 -13.9170 -13.8805 -13.8805 -13.6205 -13.6205 -13.5975 -13.5975 -13.5535 -13.5535 -13.4677 -13.4677 -13.3817 -13.3817 -13.3066 -13.3066 -4.2427 -4.2427 -4.2367 -4.2367 -3.8693 -3.8693 -2.0762 -2.0762 -2.0731 -2.0731 -2.0572 -2.0572 1.8301 1.8301 5.7496 5.7496 5.9133 5.9133 6.7649 6.7649 6.7944 6.7944 7.8190 7.8190 8.3865 8.3865 10.1644 10.1644 10.3515 10.3515 11.0118 11.0118 11.3032 11.3032 k = 0.1875 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5940 -32.5940 -32.5784 -32.5784 -32.5630 -32.5630 -13.9452 -13.9452 -13.9183 -13.9183 -13.8808 -13.8808 -13.6214 -13.6214 -13.5978 -13.5978 -13.5514 -13.5514 -13.4719 -13.4719 -13.3810 -13.3810 -13.3042 -13.3042 -4.2424 -4.2424 -4.2368 -4.2368 -3.8583 -3.8583 -2.0764 -2.0764 -2.0726 -2.0726 -2.0568 -2.0568 1.8446 1.8446 5.7255 5.7255 5.8800 5.8800 6.7550 6.7550 6.8002 6.8002 7.7789 7.7789 8.3746 8.3746 10.2052 10.2052 10.3815 10.3815 11.0149 11.0149 11.2686 11.2686 k = 0.2031 0.5000-0.0000 ( 4400 PWs) bands (ev): -32.5935 -32.5935 -32.5784 -32.5784 -32.5635 -32.5635 -13.9450 -13.9450 -13.9195 -13.9195 -13.8812 -13.8812 -13.6223 -13.6223 -13.5980 -13.5980 -13.5497 -13.5497 -13.4758 -13.4758 -13.3805 -13.3805 -13.3016 -13.3016 -4.2422 -4.2422 -4.2369 -4.2369 -3.8469 -3.8469 -2.0766 -2.0766 -2.0720 -2.0720 -2.0564 -2.0564 1.8600 1.8600 5.6985 5.6985 5.8450 5.8450 6.7449 6.7449 6.8091 6.8091 7.7383 7.7383 8.3641 8.3641 10.2474 10.2474 10.4133 10.4133 11.0175 11.0175 11.2353 11.2353 k = 0.2188 0.5000-0.0000 ( 4396 PWs) bands (ev): -32.5929 -32.5929 -32.5784 -32.5784 -32.5640 -32.5640 -13.9449 -13.9449 -13.9205 -13.9205 -13.8817 -13.8817 -13.6232 -13.6232 -13.5980 -13.5980 -13.5481 -13.5481 -13.4793 -13.4793 -13.3804 -13.3804 -13.2990 -13.2990 -4.2419 -4.2419 -4.2370 -4.2370 -3.8351 -3.8351 -2.0768 -2.0768 -2.0714 -2.0714 -2.0559 -2.0559 1.8761 1.8761 5.6689 5.6689 5.8084 5.8084 6.7345 6.7345 6.8212 6.8212 7.6980 7.6980 8.3547 8.3547 10.2909 10.2909 10.4464 10.4464 11.0195 11.0195 11.2033 11.2033 k = 0.2344 0.5000-0.0000 ( 4388 PWs) bands (ev): -32.5923 -32.5923 -32.5784 -32.5784 -32.5646 -32.5646 -13.9448 -13.9448 -13.9214 -13.9214 -13.8823 -13.8823 -13.6242 -13.6242 -13.5978 -13.5978 -13.5469 -13.5469 -13.4825 -13.4825 -13.3804 -13.3804 -13.2964 -13.2964 -4.2416 -4.2416 -4.2371 -4.2371 -3.8230 -3.8230 -2.0771 -2.0771 -2.0709 -2.0709 -2.0554 -2.0554 1.8928 1.8928 5.6372 5.6372 5.7706 5.7706 6.7240 6.7240 6.8362 6.8362 7.6586 7.6586 8.3464 8.3464 10.3357 10.3357 10.4806 10.4806 11.0207 11.0207 11.1728 11.1728 k = 0.2500 0.5000-0.0000 ( 4396 PWs) bands (ev): -32.5917 -32.5917 -32.5784 -32.5784 -32.5653 -32.5653 -13.9450 -13.9450 -13.9221 -13.9221 -13.8831 -13.8831 -13.6252 -13.6252 -13.5975 -13.5975 -13.5461 -13.5461 -13.4853 -13.4853 -13.3807 -13.3807 -13.2938 -13.2938 -4.2413 -4.2413 -4.2372 -4.2372 -3.8108 -3.8108 -2.0773 -2.0773 -2.0703 -2.0703 -2.0549 -2.0549 1.9100 1.9100 5.6037 5.6037 5.7318 5.7318 6.7135 6.7135 6.8538 6.8538 7.6207 7.6207 8.3391 8.3391 10.3816 10.3816 10.5156 10.5156 11.0208 11.0208 11.1439 11.1439 k = 0.2656 0.5000-0.0000 ( 4392 PWs) bands (ev): -32.5910 -32.5910 -32.5784 -32.5784 -32.5659 -32.5659 -13.9453 -13.9453 -13.9224 -13.9224 -13.8840 -13.8840 -13.6261 -13.6261 -13.5971 -13.5971 -13.5456 -13.5456 -13.4877 -13.4877 -13.3811 -13.3811 -13.2912 -13.2912 -4.2410 -4.2410 -4.2373 -4.2373 -3.7985 -3.7985 -2.0776 -2.0776 -2.0697 -2.0697 -2.0543 -2.0543 1.9276 1.9276 5.5691 5.5691 5.6926 5.6926 6.7032 6.7032 6.8735 6.8735 7.5847 7.5847 8.3326 8.3326 10.4285 10.4285 10.5513 10.5513 11.0195 11.0195 11.1166 11.1166 k = 0.2812 0.5000-0.0000 ( 4400 PWs) bands (ev): -32.5903 -32.5903 -32.5784 -32.5784 -32.5666 -32.5666 -13.9457 -13.9457 -13.9226 -13.9226 -13.8849 -13.8849 -13.6270 -13.6270 -13.5966 -13.5966 -13.5455 -13.5455 -13.4896 -13.4896 -13.3817 -13.3817 -13.2887 -13.2887 -4.2408 -4.2408 -4.2373 -4.2373 -3.7863 -3.7863 -2.0778 -2.0778 -2.0692 -2.0692 -2.0538 -2.0538 1.9453 1.9453 5.5337 5.5337 5.6532 5.6532 6.6930 6.6930 6.8950 6.8950 7.5512 7.5512 8.3268 8.3268 10.4762 10.4762 10.5871 10.5871 11.0156 11.0156 11.0910 11.0910 k = 0.2969 0.5000-0.0000 ( 4416 PWs) bands (ev): -32.5896 -32.5896 -32.5784 -32.5784 -32.5673 -32.5673 -13.9463 -13.9463 -13.9225 -13.9225 -13.8861 -13.8861 -13.6278 -13.6278 -13.5960 -13.5960 -13.5457 -13.5457 -13.4911 -13.4911 -13.3824 -13.3824 -13.2863 -13.2863 -4.2405 -4.2405 -4.2374 -4.2374 -3.7742 -3.7742 -2.0781 -2.0781 -2.0687 -2.0687 -2.0532 -2.0532 1.9630 1.9630 5.4982 5.4982 5.6142 5.6142 6.6832 6.6832 6.9174 6.9174 7.5205 7.5205 8.3217 8.3217 10.5245 10.5245 10.6230 10.6230 11.0058 11.0058 11.0672 11.0678 k = 0.3125 0.5000-0.0000 ( 4416 PWs) bands (ev): -32.5888 -32.5888 -32.5784 -32.5784 -32.5681 -32.5681 -13.9470 -13.9470 -13.9221 -13.9221 -13.8872 -13.8872 -13.6286 -13.6286 -13.5953 -13.5953 -13.5463 -13.5463 -13.4922 -13.4922 -13.3831 -13.3831 -13.2840 -13.2840 -4.2402 -4.2402 -4.2375 -4.2375 -3.7625 -3.7625 -2.0783 -2.0783 -2.0683 -2.0683 -2.0525 -2.0525 1.9805 1.9805 5.4630 5.4630 5.5759 5.5759 6.6737 6.6737 6.9403 6.9403 7.4931 7.4931 8.3172 8.3172 10.5733 10.5733 10.6585 10.6585 10.9798 10.9798 11.0469 11.0486 k = 0.3281 0.5000-0.0000 ( 4412 PWs) bands (ev): -32.5880 -32.5880 -32.5783 -32.5783 -32.5688 -32.5688 -13.9478 -13.9478 -13.9214 -13.9214 -13.8885 -13.8885 -13.6294 -13.6294 -13.5946 -13.5946 -13.5472 -13.5472 -13.4929 -13.4929 -13.3839 -13.3839 -13.2817 -13.2817 -4.2400 -4.2400 -4.2375 -4.2375 -3.7512 -3.7512 -2.0786 -2.0786 -2.0679 -2.0679 -2.0519 -2.0519 1.9977 1.9977 5.4286 5.4286 5.5388 5.5388 6.6647 6.6647 6.9628 6.9628 7.4693 7.4693 8.3133 8.3133 10.6222 10.6222 10.6934 10.6934 10.9306 10.9306 11.0279 11.0371 k = 0.3438 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5872 -32.5872 -32.5783 -32.5783 -32.5696 -32.5696 -13.9486 -13.9486 -13.9206 -13.9206 -13.8899 -13.8899 -13.6300 -13.6300 -13.5937 -13.5937 -13.5483 -13.5483 -13.4932 -13.4932 -13.3847 -13.3847 -13.2797 -13.2797 -4.2397 -4.2397 -4.2376 -4.2376 -3.7404 -3.7404 -2.0788 -2.0788 -2.0675 -2.0675 -2.0513 -2.0513 2.0142 2.0142 5.3955 5.3955 5.5033 5.5033 6.6562 6.6562 6.9842 6.9842 7.4493 7.4493 8.3099 8.3099 10.6708 10.6708 10.7272 10.7272 10.8714 10.8714 11.0087 11.0091 k = 0.3594 0.5000-0.0000 ( 4404 PWs) bands (ev): -32.5864 -32.5864 -32.5783 -32.5783 -32.5704 -32.5704 -13.9494 -13.9494 -13.9196 -13.9196 -13.8913 -13.8913 -13.6307 -13.6307 -13.5929 -13.5929 -13.5496 -13.5496 -13.4934 -13.4934 -13.3855 -13.3855 -13.2778 -13.2778 -4.2395 -4.2395 -4.2376 -4.2376 -3.7303 -3.7303 -2.0790 -2.0790 -2.0672 -2.0672 -2.0508 -2.0508 2.0301 2.0301 5.3640 5.3640 5.4699 5.4699 6.6484 6.6484 7.0038 7.0038 7.4334 7.4334 8.3071 8.3071 10.7186 10.7186 10.7592 10.7592 10.8114 10.8114 10.9917 10.9917 k = 0.3750 0.5000-0.0000 ( 4410 PWs) bands (ev): -32.5856 -32.5856 -32.5783 -32.5783 -32.5713 -32.5713 -13.9502 -13.9502 -13.9185 -13.9185 -13.8928 -13.8928 -13.6312 -13.6312 -13.5920 -13.5920 -13.5511 -13.5511 -13.4934 -13.4934 -13.3863 -13.3863 -13.2761 -13.2761 -4.2393 -4.2393 -4.2377 -4.2377 -3.7209 -3.7209 -2.0792 -2.0792 -2.0669 -2.0669 -2.0502 -2.0502 2.0449 2.0449 5.3346 5.3346 5.4389 5.4389 6.6412 6.6412 7.0209 7.0209 7.4217 7.4217 8.3047 8.3047 10.7505 10.7505 10.7647 10.7647 10.7927 10.7927 10.9767 10.9767 k = 0.3906 0.5000-0.0000 ( 4406 PWs) bands (ev): -32.5847 -32.5847 -32.5783 -32.5783 -32.5721 -32.5721 -13.9510 -13.9510 -13.9172 -13.9172 -13.8944 -13.8944 -13.6317 -13.6317 -13.5912 -13.5912 -13.5525 -13.5525 -13.4932 -13.4932 -13.3870 -13.3870 -13.2745 -13.2745 -4.2391 -4.2391 -4.2377 -4.2377 -3.7124 -3.7124 -2.0794 -2.0794 -2.0666 -2.0666 -2.0497 -2.0497 2.0586 2.0586 5.3077 5.3077 5.4107 5.4107 6.6347 6.6347 7.0352 7.0352 7.4140 7.4140 8.3027 8.3027 10.6964 10.6964 10.8070 10.8070 10.8230 10.8230 10.9636 10.9636 k = 0.4062 0.5000-0.0000 ( 4410 PWs) bands (ev): -32.5838 -32.5838 -32.5783 -32.5783 -32.5730 -32.5730 -13.9517 -13.9517 -13.9159 -13.9159 -13.8960 -13.8960 -13.6322 -13.6322 -13.5903 -13.5903 -13.5539 -13.5539 -13.4929 -13.4929 -13.3876 -13.3876 -13.2732 -13.2732 -4.2390 -4.2390 -4.2377 -4.2377 -3.7049 -3.7049 -2.0795 -2.0795 -2.0664 -2.0664 -2.0493 -2.0493 2.0709 2.0709 5.2835 5.2835 5.3857 5.3857 6.6290 6.6290 7.0465 7.0465 7.4099 7.4099 8.3012 8.3012 10.6464 10.6464 10.8395 10.8395 10.8584 10.8584 10.9523 10.9524 k = 0.4219 0.5000-0.0000 ( 4416 PWs) bands (ev): -32.5829 -32.5829 -32.5783 -32.5783 -32.5739 -32.5739 -13.9524 -13.9524 -13.9144 -13.9144 -13.8977 -13.8977 -13.6326 -13.6326 -13.5895 -13.5895 -13.5553 -13.5553 -13.4927 -13.4927 -13.3882 -13.3882 -13.2721 -13.2721 -4.2389 -4.2389 -4.2377 -4.2377 -3.6983 -3.6983 -2.0796 -2.0796 -2.0662 -2.0662 -2.0489 -2.0489 2.0817 2.0817 5.2625 5.2625 5.3640 5.3640 6.6241 6.6241 7.0549 7.0549 7.4087 7.4087 8.3000 8.3000 10.6023 10.6023 10.8635 10.8635 10.8954 10.8954 10.9432 10.9432 k = 0.4375 0.5000-0.0000 ( 4416 PWs) bands (ev): -32.5820 -32.5820 -32.5783 -32.5783 -32.5748 -32.5748 -13.9529 -13.9529 -13.9129 -13.9129 -13.8993 -13.8993 -13.6329 -13.6329 -13.5888 -13.5888 -13.5565 -13.5565 -13.4924 -13.4924 -13.3887 -13.3887 -13.2711 -13.2711 -4.2388 -4.2388 -4.2377 -4.2377 -3.6928 -3.6928 -2.0797 -2.0797 -2.0661 -2.0661 -2.0485 -2.0485 2.0908 2.0908 5.2449 5.2449 5.3459 5.3459 6.6200 6.6200 7.0607 7.0607 7.4095 7.4095 8.2991 8.2991 10.5649 10.5649 10.8827 10.8827 10.9268 10.9268 10.9382 10.9382 k = 0.4531 0.5000-0.0000 ( 4428 PWs) bands (ev): -32.5811 -32.5811 -32.5783 -32.5783 -32.5757 -32.5757 -13.9533 -13.9533 -13.9113 -13.9113 -13.9011 -13.9011 -13.6331 -13.6331 -13.5882 -13.5882 -13.5575 -13.5575 -13.4922 -13.4922 -13.3891 -13.3891 -13.2704 -13.2704 -4.2387 -4.2387 -4.2377 -4.2377 -3.6885 -3.6885 -2.0798 -2.0798 -2.0660 -2.0660 -2.0483 -2.0483 2.0980 2.0980 5.2310 5.2310 5.3317 5.3317 6.6168 6.6168 7.0646 7.0646 7.4115 7.4115 8.2984 8.2984 10.5349 10.5349 10.8975 10.8975 10.9289 10.9289 10.9590 10.9590 k = 0.4688 0.5000-0.0000 ( 4424 PWs) bands (ev): -32.5802 -32.5802 -32.5783 -32.5783 -32.5766 -32.5766 -13.9536 -13.9536 -13.9097 -13.9097 -13.9028 -13.9028 -13.6333 -13.6333 -13.5877 -13.5877 -13.5582 -13.5582 -13.4920 -13.4920 -13.3894 -13.3894 -13.2699 -13.2699 -4.2387 -4.2387 -4.2377 -4.2377 -3.6854 -3.6854 -2.0799 -2.0799 -2.0659 -2.0659 -2.0481 -2.0481 2.1033 2.1033 5.2208 5.2208 5.3214 5.3214 6.6145 6.6145 7.0669 7.0669 7.4136 7.4136 8.2980 8.2980 10.5131 10.5131 10.9071 10.9071 10.9265 10.9265 10.9798 10.9799 k = 0.4844 0.5000-0.0000 ( 4420 PWs) bands (ev): -32.5793 -32.5793 -32.5783 -32.5783 -32.5775 -32.5775 -13.9538 -13.9538 -13.9081 -13.9081 -13.9045 -13.9045 -13.6334 -13.6334 -13.5874 -13.5874 -13.5587 -13.5587 -13.4919 -13.4919 -13.3896 -13.3896 -13.2696 -13.2696 -4.2386 -4.2386 -4.2377 -4.2377 -3.6835 -3.6835 -2.0799 -2.0799 -2.0658 -2.0658 -2.0479 -2.0479 2.1064 2.1064 5.2147 5.2147 5.3152 5.3152 6.6131 6.6131 7.0682 7.0682 7.4151 7.4151 8.2978 8.2978 10.4998 10.4998 10.9114 10.9114 10.9266 10.9266 10.9919 10.9919 k = 0.5000 0.5000-0.0000 ( 4388 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9538 -13.9538 -13.9067 -13.9067 -13.9057 -13.9057 -13.6334 -13.6334 -13.5872 -13.5872 -13.5588 -13.5588 -13.4918 -13.4918 -13.3896 -13.3896 -13.2694 -13.2694 -4.2386 -4.2386 -4.2377 -4.2377 -3.6829 -3.6829 -2.0799 -2.0799 -2.0658 -2.0658 -2.0479 -2.0479 2.1075 2.1075 5.2127 5.2127 5.3132 5.3132 6.6127 6.6127 7.0686 7.0686 7.4157 7.4157 8.2978 8.2978 10.4953 10.4953 10.9124 10.9124 10.9271 10.9271 10.9948 10.9948 k = 0.5000 0.5000-0.0000 ( 4388 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9538 -13.9538 -13.9067 -13.9067 -13.9057 -13.9057 -13.6334 -13.6334 -13.5872 -13.5872 -13.5588 -13.5588 -13.4918 -13.4918 -13.3896 -13.3896 -13.2694 -13.2694 -4.2386 -4.2386 -4.2377 -4.2377 -3.6829 -3.6829 -2.0799 -2.0799 -2.0658 -2.0658 -2.0479 -2.0479 2.1075 2.1075 5.2127 5.2127 5.3132 5.3132 6.6127 6.6127 7.0686 7.0686 7.4157 7.4157 8.2978 8.2978 10.4953 10.4953 10.9124 10.9124 10.9271 10.9271 10.9948 10.9948 k = 0.4889 0.4889-0.0000 ( 4416 PWs) bands (ev): -32.5793 -32.5793 -32.5783 -32.5783 -32.5775 -32.5775 -13.9538 -13.9538 -13.9081 -13.9081 -13.9045 -13.9045 -13.6334 -13.6334 -13.5874 -13.5874 -13.5587 -13.5587 -13.4919 -13.4919 -13.3896 -13.3896 -13.2695 -13.2695 -4.2386 -4.2386 -4.2377 -4.2377 -3.6836 -3.6836 -2.0799 -2.0799 -2.0658 -2.0658 -2.0479 -2.0479 2.1064 2.1064 5.2147 5.2147 5.3152 5.3152 6.6131 6.6131 7.0682 7.0682 7.4151 7.4151 8.2978 8.2978 10.4998 10.4998 10.9115 10.9115 10.9265 10.9265 10.9918 10.9918 k = 0.4778 0.4778-0.0000 ( 4428 PWs) bands (ev): -32.5803 -32.5803 -32.5782 -32.5782 -32.5766 -32.5766 -13.9536 -13.9536 -13.9098 -13.9098 -13.9028 -13.9028 -13.6333 -13.6333 -13.5877 -13.5877 -13.5583 -13.5583 -13.4921 -13.4921 -13.3894 -13.3894 -13.2699 -13.2699 -4.2387 -4.2387 -4.2377 -4.2377 -3.6855 -3.6855 -2.0799 -2.0799 -2.0659 -2.0659 -2.0481 -2.0481 2.1032 2.1032 5.2209 5.2209 5.3216 5.3216 6.6145 6.6145 7.0670 7.0670 7.4135 7.4135 8.2980 8.2980 10.5131 10.5131 10.9077 10.9077 10.9258 10.9258 10.9789 10.9789 k = 0.4667 0.4667-0.0000 ( 4422 PWs) bands (ev): -32.5813 -32.5813 -32.5781 -32.5781 -32.5757 -32.5757 -13.9533 -13.9533 -13.9114 -13.9114 -13.9010 -13.9010 -13.6331 -13.6331 -13.5882 -13.5882 -13.5575 -13.5575 -13.4922 -13.4922 -13.3891 -13.3891 -13.2704 -13.2704 -4.2387 -4.2387 -4.2377 -4.2377 -3.6886 -3.6886 -2.0798 -2.0798 -2.0660 -2.0660 -2.0483 -2.0483 2.0978 2.0978 5.2311 5.2311 5.3322 5.3322 6.6168 6.6168 7.0648 7.0648 7.4111 7.4111 8.2985 8.2985 10.5346 10.5346 10.8994 10.8994 10.9267 10.9267 10.9573 10.9573 k = 0.4556 0.4556-0.0000 ( 4416 PWs) bands (ev): -32.5822 -32.5822 -32.5779 -32.5779 -32.5749 -32.5749 -13.9529 -13.9529 -13.9131 -13.9131 -13.8992 -13.8992 -13.6329 -13.6329 -13.5888 -13.5888 -13.5565 -13.5565 -13.4924 -13.4924 -13.3887 -13.3887 -13.2711 -13.2711 -4.2388 -4.2388 -4.2377 -4.2377 -3.6930 -3.6930 -2.0797 -2.0797 -2.0661 -2.0661 -2.0485 -2.0485 2.0904 2.0904 5.2450 5.2450 5.3474 5.3474 6.6201 6.6201 7.0616 7.0616 7.4086 7.4086 8.2992 8.2992 10.5630 10.5630 10.8863 10.8863 10.9240 10.9240 10.9348 10.9348 k = 0.4444 0.4444-0.0000 ( 4420 PWs) bands (ev): -32.5833 -32.5833 -32.5777 -32.5777 -32.5741 -32.5741 -13.9524 -13.9524 -13.9147 -13.9147 -13.8974 -13.8974 -13.6326 -13.6326 -13.5896 -13.5896 -13.5553 -13.5553 -13.4927 -13.4927 -13.3882 -13.3882 -13.2721 -13.2721 -4.2389 -4.2389 -4.2377 -4.2377 -3.6987 -3.6987 -2.0796 -2.0796 -2.0662 -2.0662 -2.0489 -2.0489 2.0809 2.0809 5.2624 5.2624 5.3671 5.3671 6.6242 6.6242 7.0569 7.0569 7.4066 7.4066 8.3002 8.3002 10.5958 10.5958 10.8691 10.8691 10.8956 10.8956 10.9362 10.9362 k = 0.4333 0.4333-0.0000 ( 4422 PWs) bands (ev): -32.5843 -32.5843 -32.5775 -32.5775 -32.5733 -32.5733 -13.9518 -13.9518 -13.9163 -13.9163 -13.8956 -13.8956 -13.6322 -13.6322 -13.5904 -13.5904 -13.5540 -13.5540 -13.4930 -13.4930 -13.3876 -13.3876 -13.2732 -13.2732 -4.2390 -4.2390 -4.2378 -4.2378 -3.7055 -3.7055 -2.0795 -2.0795 -2.0664 -2.0664 -2.0493 -2.0493 2.0694 2.0694 5.2831 5.2831 5.3916 5.3916 6.6291 6.6291 7.0505 7.0505 7.4057 7.4057 8.3017 8.3017 10.6279 10.6279 10.8486 10.8486 10.8659 10.8659 10.9419 10.9419 k = 0.4222 0.4222-0.0000 ( 4416 PWs) bands (ev): -32.5853 -32.5853 -32.5772 -32.5772 -32.5726 -32.5726 -13.9510 -13.9510 -13.9179 -13.9179 -13.8938 -13.8938 -13.6317 -13.6317 -13.5912 -13.5912 -13.5525 -13.5525 -13.4932 -13.4932 -13.3868 -13.3868 -13.2744 -13.2744 -4.2391 -4.2391 -4.2378 -4.2378 -3.7135 -3.7135 -2.0794 -2.0794 -2.0666 -2.0666 -2.0498 -2.0498 2.0561 2.0561 5.3066 5.3066 5.4211 5.4211 6.6349 6.6349 7.0424 7.0424 7.4068 7.4068 8.3037 8.3037 10.6483 10.6483 10.8271 10.8271 10.8467 10.8467 10.9490 10.9490 k = 0.4111 0.4111-0.0000 ( 4412 PWs) bands (ev): -32.5864 -32.5864 -32.5769 -32.5769 -32.5718 -32.5718 -13.9503 -13.9503 -13.9195 -13.9195 -13.8920 -13.8920 -13.6312 -13.6312 -13.5921 -13.5921 -13.5511 -13.5511 -13.4935 -13.4935 -13.3860 -13.3860 -13.2758 -13.2758 -4.2393 -4.2393 -4.2378 -4.2378 -3.7226 -3.7226 -2.0793 -2.0793 -2.0668 -2.0668 -2.0504 -2.0504 2.0409 2.0409 5.3328 5.3328 5.4557 5.4557 6.6414 6.6414 7.0325 7.0325 7.4103 7.4103 8.3064 8.3064 10.6422 10.6422 10.8021 10.8021 10.8551 10.8551 10.9572 10.9572 k = 0.4000 0.4000-0.0000 ( 4412 PWs) bands (ev): -32.5875 -32.5875 -32.5766 -32.5766 -32.5711 -32.5711 -13.9495 -13.9495 -13.9210 -13.9210 -13.8902 -13.8902 -13.6306 -13.6306 -13.5930 -13.5930 -13.5497 -13.5497 -13.4936 -13.4936 -13.3851 -13.3851 -13.2773 -13.2773 -4.2395 -4.2395 -4.2378 -4.2378 -3.7327 -3.7327 -2.0791 -2.0791 -2.0671 -2.0671 -2.0511 -2.0511 2.0240 2.0240 5.3614 5.3614 5.4952 5.4952 6.6486 6.6486 7.0209 7.0209 7.4167 7.4167 8.3098 8.3098 10.6097 10.6097 10.7738 10.7738 10.8899 10.8899 10.9666 10.9666 k = 0.3889 0.3889-0.0000 ( 4410 PWs) bands (ev): -32.5886 -32.5886 -32.5762 -32.5762 -32.5704 -32.5704 -13.9487 -13.9487 -13.9225 -13.9225 -13.8884 -13.8884 -13.6299 -13.6299 -13.5939 -13.5939 -13.5484 -13.5484 -13.4935 -13.4935 -13.3841 -13.3841 -13.2789 -13.2789 -4.2397 -4.2397 -4.2379 -4.2379 -3.7439 -3.7439 -2.0790 -2.0790 -2.0674 -2.0674 -2.0518 -2.0518 2.0055 2.0055 5.3924 5.3924 5.5397 5.5397 6.6564 6.6564 7.0080 7.0080 7.4262 7.4262 8.3141 8.3141 10.5628 10.5628 10.7431 10.7431 10.9356 10.9356 10.9783 10.9783 k = 0.3778 0.3778-0.0000 ( 4406 PWs) bands (ev): -32.5897 -32.5897 -32.5757 -32.5757 -32.5698 -32.5698 -13.9478 -13.9478 -13.9240 -13.9240 -13.8866 -13.8866 -13.6292 -13.6292 -13.5947 -13.5947 -13.5472 -13.5472 -13.4933 -13.4933 -13.3830 -13.3830 -13.2805 -13.2805 -4.2399 -4.2399 -4.2380 -4.2380 -3.7560 -3.7560 -2.0788 -2.0788 -2.0677 -2.0677 -2.0526 -2.0526 1.9855 1.9855 5.4256 5.4256 5.5890 5.5890 6.6649 6.6649 6.9943 6.9943 7.4388 7.4388 8.3194 8.3194 10.5087 10.5087 10.7107 10.7107 10.9732 10.9732 11.0010 11.0011 k = 0.3667 0.3667-0.0000 ( 4410 PWs) bands (ev): -32.5908 -32.5908 -32.5753 -32.5753 -32.5692 -32.5692 -13.9470 -13.9470 -13.9255 -13.9255 -13.8849 -13.8849 -13.6285 -13.6285 -13.5955 -13.5955 -13.5462 -13.5462 -13.4929 -13.4929 -13.3818 -13.3818 -13.2822 -13.2822 -4.2401 -4.2401 -4.2380 -4.2380 -3.7691 -3.7691 -2.0787 -2.0787 -2.0681 -2.0681 -2.0534 -2.0534 1.9641 1.9641 5.4611 5.4611 5.6427 5.6427 6.6738 6.6738 6.9802 6.9802 7.4547 7.4547 8.3259 8.3259 10.4507 10.4507 10.6768 10.6768 10.9896 10.9896 11.0412 11.0413 k = 0.3556 0.3556-0.0000 ( 4408 PWs) bands (ev): -32.5919 -32.5919 -32.5748 -32.5748 -32.5685 -32.5685 -13.9462 -13.9462 -13.9269 -13.9269 -13.8832 -13.8832 -13.6276 -13.6276 -13.5963 -13.5963 -13.5455 -13.5455 -13.4921 -13.4921 -13.3806 -13.3806 -13.2839 -13.2839 -4.2404 -4.2404 -4.2381 -4.2381 -3.7829 -3.7829 -2.0786 -2.0786 -2.0685 -2.0685 -2.0543 -2.0543 1.9415 1.9415 5.4987 5.4987 5.7008 5.7008 6.6831 6.6831 6.9665 6.9665 7.4736 7.4736 8.3336 8.3336 10.3905 10.3905 10.6416 10.6416 11.0007 11.0007 11.0573 11.0574 k = 0.3444 0.3444-0.0000 ( 4422 PWs) bands (ev): -32.5931 -32.5931 -32.5743 -32.5743 -32.5680 -32.5680 -13.9455 -13.9455 -13.9284 -13.9284 -13.8815 -13.8815 -13.6268 -13.6268 -13.5971 -13.5971 -13.5451 -13.5451 -13.4912 -13.4912 -13.3793 -13.3793 -13.2857 -13.2857 -4.2407 -4.2407 -4.2383 -4.2383 -3.7975 -3.7975 -2.0785 -2.0785 -2.0689 -2.0689 -2.0553 -2.0553 1.9177 1.9177 5.5385 5.5385 5.7629 5.7629 6.6928 6.6928 6.9536 6.9536 7.4954 7.4954 8.3426 8.3426 10.3290 10.3290 10.6054 10.6054 11.0102 11.0102 11.0594 11.0596 k = 0.3333 0.3333-0.0000 ( 4426 PWs) bands (ev): -32.5942 -32.5942 -32.5737 -32.5737 -32.5674 -32.5674 -13.9448 -13.9448 -13.9298 -13.9298 -13.8799 -13.8799 -13.6258 -13.6258 -13.5978 -13.5978 -13.5449 -13.5449 -13.4899 -13.4899 -13.3779 -13.3779 -13.2874 -13.2874 -4.2410 -4.2410 -4.2384 -4.2384 -3.8129 -3.8129 -2.0784 -2.0784 -2.0693 -2.0693 -2.0563 -2.0563 1.8929 1.8929 5.5804 5.5804 5.8286 5.8286 6.7026 6.7026 6.9422 6.9422 7.5200 7.5200 8.3532 8.3532 10.2667 10.2667 10.5685 10.5685 11.0177 11.0177 11.0604 11.0604 k = 0.3222 0.3222-0.0000 ( 4428 PWs) bands (ev): -32.5953 -32.5953 -32.5732 -32.5732 -32.5669 -32.5669 -13.9442 -13.9442 -13.9312 -13.9312 -13.8784 -13.8784 -13.6249 -13.6249 -13.5984 -13.5984 -13.5450 -13.5450 -13.4883 -13.4883 -13.3763 -13.3763 -13.2890 -13.2890 -4.2413 -4.2413 -4.2386 -4.2386 -3.8288 -3.8288 -2.0784 -2.0784 -2.0698 -2.0698 -2.0574 -2.0574 1.8672 1.8672 5.6242 5.6242 5.8976 5.8976 6.7126 6.7126 6.9330 6.9330 7.5472 7.5472 8.3655 8.3655 10.2041 10.2041 10.5311 10.5311 11.0217 11.0217 11.0609 11.0609 k = 0.3111 0.3111-0.0000 ( 4424 PWs) bands (ev): -32.5964 -32.5964 -32.5726 -32.5726 -32.5664 -32.5664 -13.9437 -13.9437 -13.9325 -13.9325 -13.8768 -13.8768 -13.6239 -13.6239 -13.5990 -13.5990 -13.5454 -13.5454 -13.4864 -13.4864 -13.3747 -13.3747 -13.2905 -13.2905 -4.2416 -4.2416 -4.2388 -4.2388 -3.8452 -3.8452 -2.0784 -2.0784 -2.0703 -2.0703 -2.0585 -2.0585 1.8407 1.8407 5.6700 5.6700 5.9694 5.9694 6.7226 6.7226 6.9265 6.9265 7.5770 7.5770 8.3795 8.3795 10.1415 10.1415 10.4934 10.4934 11.0201 11.0201 11.0611 11.0611 k = 0.3000 0.3000-0.0000 ( 4418 PWs) bands (ev): -32.5976 -32.5976 -32.5720 -32.5720 -32.5659 -32.5659 -13.9433 -13.9433 -13.9338 -13.9338 -13.8754 -13.8754 -13.6229 -13.6229 -13.5995 -13.5995 -13.5461 -13.5461 -13.4844 -13.4844 -13.3729 -13.3729 -13.2920 -13.2920 -4.2419 -4.2419 -4.2390 -4.2390 -3.8621 -3.8621 -2.0784 -2.0784 -2.0708 -2.0708 -2.0596 -2.0596 1.8137 1.8137 5.7175 5.7175 6.0436 6.0436 6.7325 6.7325 6.9234 6.9234 7.6091 7.6091 8.3954 8.3954 10.0792 10.0792 10.4557 10.4557 11.0118 11.0118 11.0450 11.0450 k = 0.2889 0.2889-0.0000 ( 4406 PWs) bands (ev): -32.5987 -32.5987 -32.5713 -32.5713 -32.5654 -32.5654 -13.9430 -13.9430 -13.9350 -13.9350 -13.8740 -13.8740 -13.6218 -13.6218 -13.6000 -13.6000 -13.5469 -13.5469 -13.4821 -13.4821 -13.3709 -13.3709 -13.2933 -13.2933 -4.2423 -4.2423 -4.2393 -4.2393 -3.8793 -3.8793 -2.0784 -2.0784 -2.0713 -2.0713 -2.0608 -2.0608 1.7861 1.7861 5.7668 5.7668 6.1193 6.1193 6.7423 6.7423 6.9244 6.9244 7.6435 7.6435 8.4132 8.4132 10.0173 10.0173 10.4180 10.4180 10.9970 10.9971 11.0051 11.0051 k = 0.2778 0.2778-0.0000 ( 4402 PWs) bands (ev): -32.5998 -32.5998 -32.5707 -32.5707 -32.5650 -32.5650 -13.9428 -13.9428 -13.9362 -13.9362 -13.8727 -13.8727 -13.6208 -13.6208 -13.6005 -13.6005 -13.5478 -13.5478 -13.4798 -13.4798 -13.3688 -13.3688 -13.2945 -13.2945 -4.2426 -4.2426 -4.2396 -4.2396 -3.8969 -3.8969 -2.0785 -2.0785 -2.0718 -2.0718 -2.0620 -2.0620 1.7582 1.7582 5.8176 5.8176 6.1958 6.1958 6.7519 6.7519 6.9304 6.9304 7.6802 7.6802 8.4332 8.4332 9.9561 9.9561 10.3805 10.3805 10.9565 10.9565 10.9772 10.9773 k = 0.2667 0.2667-0.0000 ( 4398 PWs) bands (ev): -32.6008 -32.6008 -32.5701 -32.5701 -32.5646 -32.5646 -13.9428 -13.9428 -13.9373 -13.9373 -13.8716 -13.8716 -13.6198 -13.6198 -13.6009 -13.6009 -13.5489 -13.5489 -13.4775 -13.4775 -13.3666 -13.3666 -13.2956 -13.2956 -4.2430 -4.2430 -4.2399 -4.2399 -3.9146 -3.9146 -2.0786 -2.0786 -2.0724 -2.0724 -2.0633 -2.0633 1.7300 1.7300 5.8698 5.8698 6.2717 6.2717 6.7613 6.7613 6.9424 6.9424 7.7190 7.7190 8.4554 8.4554 9.8957 9.8957 10.3435 10.3435 10.9037 10.9037 10.9514 10.9514 k = 0.2556 0.2556-0.0000 ( 4396 PWs) bands (ev): -32.6019 -32.6019 -32.5694 -32.5694 -32.5642 -32.5642 -13.9430 -13.9430 -13.9383 -13.9383 -13.8705 -13.8705 -13.6189 -13.6189 -13.6013 -13.6013 -13.5500 -13.5500 -13.4751 -13.4751 -13.3641 -13.3641 -13.2965 -13.2965 -4.2434 -4.2434 -4.2402 -4.2402 -3.9324 -3.9324 -2.0788 -2.0788 -2.0730 -2.0730 -2.0646 -2.0646 1.7018 1.7018 5.9232 5.9232 6.3456 6.3456 6.7706 6.7706 6.9618 6.9618 7.7599 7.7599 8.4798 8.4798 9.8363 9.8363 10.3071 10.3071 10.8480 10.8480 10.9201 10.9201 k = 0.2444 0.2444-0.0000 ( 4396 PWs) bands (ev): -32.6030 -32.6030 -32.5688 -32.5688 -32.5638 -32.5638 -13.9434 -13.9434 -13.9393 -13.9393 -13.8694 -13.8694 -13.6180 -13.6180 -13.6018 -13.6018 -13.5511 -13.5511 -13.4729 -13.4729 -13.3614 -13.3614 -13.2974 -13.2974 -4.2437 -4.2437 -4.2406 -4.2406 -3.9503 -3.9503 -2.0789 -2.0789 -2.0736 -2.0736 -2.0659 -2.0659 1.6737 1.6737 5.9777 5.9777 6.4155 6.4155 6.7798 6.7798 6.9901 6.9901 7.8029 7.8029 8.5066 8.5066 9.7781 9.7781 10.2713 10.2713 10.7906 10.7906 10.8835 10.8835 k = 0.2333 0.2333-0.0000 ( 4398 PWs) bands (ev): -32.6040 -32.6040 -32.5682 -32.5682 -32.5634 -32.5634 -13.9439 -13.9439 -13.9402 -13.9402 -13.8685 -13.8685 -13.6171 -13.6171 -13.6021 -13.6021 -13.5523 -13.5523 -13.4707 -13.4707 -13.3586 -13.3586 -13.2981 -13.2981 -4.2441 -4.2441 -4.2410 -4.2410 -3.9681 -3.9681 -2.0792 -2.0792 -2.0742 -2.0742 -2.0672 -2.0672 1.6457 1.6457 6.0330 6.0330 6.4795 6.4795 6.7890 6.7890 7.0290 7.0290 7.8479 7.8479 8.5357 8.5357 9.7211 9.7211 10.2363 10.2363 10.7325 10.7325 10.8414 10.8414 k = 0.2222 0.2222-0.0000 ( 4398 PWs) bands (ev): -32.6050 -32.6050 -32.5675 -32.5675 -32.5631 -32.5631 -13.9445 -13.9445 -13.9410 -13.9410 -13.8677 -13.8677 -13.6164 -13.6164 -13.6025 -13.6025 -13.5533 -13.5533 -13.4687 -13.4687 -13.3554 -13.3554 -13.2986 -13.2986 -4.2445 -4.2445 -4.2415 -4.2415 -3.9857 -3.9857 -2.0794 -2.0794 -2.0748 -2.0748 -2.0685 -2.0685 1.6180 1.6180 6.0890 6.0890 6.5357 6.5357 6.7982 6.7982 7.0801 7.0801 7.8950 7.8950 8.5674 8.5674 9.6657 9.6657 10.2022 10.2022 10.6743 10.6743 10.7943 10.7943 k = 0.2111 0.2111-0.0000 ( 4398 PWs) bands (ev): -32.6060 -32.6060 -32.5669 -32.5669 -32.5628 -32.5628 -13.9453 -13.9453 -13.9418 -13.9418 -13.8669 -13.8669 -13.6157 -13.6157 -13.6029 -13.6029 -13.5543 -13.5543 -13.4669 -13.4669 -13.3521 -13.3521 -13.2991 -13.2991 -4.2448 -4.2448 -4.2419 -4.2419 -4.0031 -4.0031 -2.0797 -2.0797 -2.0754 -2.0754 -2.0698 -2.0698 1.5908 1.5908 6.1453 6.1453 6.5836 6.5836 6.8073 6.8073 7.1436 7.1436 7.9441 7.9441 8.6014 8.6014 9.6119 9.6119 10.1692 10.1692 10.6165 10.6165 10.7423 10.7423 k = 0.2000 0.2000-0.0000 ( 4402 PWs) bands (ev): -32.6069 -32.6069 -32.5663 -32.5663 -32.5625 -32.5625 -13.9461 -13.9461 -13.9426 -13.9426 -13.8662 -13.8662 -13.6150 -13.6150 -13.6034 -13.6034 -13.5551 -13.5551 -13.4653 -13.4653 -13.3486 -13.3486 -13.2995 -13.2995 -4.2452 -4.2452 -4.2424 -4.2424 -4.0201 -4.0201 -2.0800 -2.0800 -2.0760 -2.0760 -2.0711 -2.0711 1.5642 1.5642 6.2018 6.2018 6.6233 6.6233 6.8161 6.8161 7.2190 7.2190 7.9953 7.9953 8.6380 8.6380 9.5599 9.5599 10.1373 10.1373 10.5596 10.5596 10.6859 10.6859 k = 0.1889 0.1889-0.0000 ( 4397 PWs) bands (ev): -32.6078 -32.6078 -32.5657 -32.5657 -32.5622 -32.5622 -13.9470 -13.9470 -13.9434 -13.9434 -13.8656 -13.8656 -13.6145 -13.6145 -13.6039 -13.6039 -13.5558 -13.5558 -13.4638 -13.4638 -13.3449 -13.3449 -13.2997 -13.2997 -4.2455 -4.2455 -4.2429 -4.2429 -4.0368 -4.0368 -2.0804 -2.0804 -2.0766 -2.0766 -2.0724 -2.0724 1.5383 1.5383 6.2581 6.2581 6.6564 6.6564 6.8246 6.8246 7.3046 7.3046 8.0487 8.0487 8.6770 8.6770 9.5099 9.5099 10.1067 10.1067 10.5036 10.5036 10.6257 10.6257 k = 0.1778 0.1778-0.0000 ( 4397 PWs) bands (ev): -32.6087 -32.6087 -32.5651 -32.5651 -32.5619 -32.5619 -13.9479 -13.9479 -13.9443 -13.9443 -13.8650 -13.8650 -13.6140 -13.6140 -13.6043 -13.6043 -13.5564 -13.5564 -13.4625 -13.4625 -13.3412 -13.3412 -13.2998 -13.2998 -4.2459 -4.2459 -4.2434 -4.2434 -4.0530 -4.0530 -2.0807 -2.0807 -2.0771 -2.0771 -2.0737 -2.0737 1.5132 1.5132 6.3140 6.3140 6.6842 6.6842 6.8328 6.8328 7.3983 7.3983 8.1043 8.1043 8.7185 8.7185 9.4621 9.4621 10.0774 10.0774 10.4486 10.4486 10.5624 10.5624 k = 0.1667 0.1667-0.0000 ( 4411 PWs) bands (ev): -32.6095 -32.6095 -32.5646 -32.5646 -32.5617 -32.5617 -13.9488 -13.9488 -13.9452 -13.9452 -13.8646 -13.8646 -13.6136 -13.6136 -13.6049 -13.6049 -13.5569 -13.5569 -13.4615 -13.4615 -13.3373 -13.3373 -13.3000 -13.3000 -4.2462 -4.2462 -4.2439 -4.2439 -4.0686 -4.0686 -2.0812 -2.0812 -2.0776 -2.0776 -2.0750 -2.0750 1.4890 1.4890 6.3690 6.3690 6.7082 6.7082 6.8405 6.8405 7.4982 7.4982 8.1621 8.1621 8.7622 8.7622 9.4167 9.4167 10.0494 10.0494 10.3943 10.3943 10.4972 10.4972 k = 0.1556 0.1556-0.0000 ( 4405 PWs) bands (ev): -32.6103 -32.6103 -32.5640 -32.5640 -32.5615 -32.5615 -13.9496 -13.9496 -13.9462 -13.9462 -13.8641 -13.8641 -13.6132 -13.6132 -13.6055 -13.6055 -13.5572 -13.5572 -13.4606 -13.4606 -13.3334 -13.3334 -13.2999 -13.2999 -4.2465 -4.2465 -4.2444 -4.2444 -4.0836 -4.0836 -2.0816 -2.0816 -2.0781 -2.0781 -2.0762 -2.0762 1.4658 1.4658 6.4230 6.4230 6.7295 6.7295 6.8477 6.8477 7.6025 7.6025 8.2225 8.2225 8.8082 8.8082 9.3742 9.3742 10.0230 10.0230 10.3398 10.3398 10.4319 10.4319 k = 0.1444 0.1444-0.0000 ( 4401 PWs) bands (ev): -32.6110 -32.6110 -32.5635 -32.5635 -32.5613 -32.5613 -13.9504 -13.9504 -13.9471 -13.9471 -13.8637 -13.8637 -13.6129 -13.6129 -13.6060 -13.6060 -13.5573 -13.5573 -13.4598 -13.4598 -13.3295 -13.3295 -13.2999 -13.2999 -4.2468 -4.2468 -4.2449 -4.2449 -4.0979 -4.0979 -2.0821 -2.0821 -2.0786 -2.0786 -2.0774 -2.0774 1.4438 1.4438 6.4755 6.4755 6.7489 6.7489 6.8546 6.8546 7.7095 7.7095 8.2854 8.2854 8.8560 8.8560 9.3349 9.3349 9.9981 9.9981 10.2833 10.2833 10.3690 10.3690 k = 0.1333 0.1333-0.0000 ( 4405 PWs) bands (ev): -32.6118 -32.6118 -32.5630 -32.5630 -32.5611 -32.5611 -13.9511 -13.9511 -13.9481 -13.9481 -13.8634 -13.8634 -13.6126 -13.6126 -13.6067 -13.6067 -13.5574 -13.5574 -13.4592 -13.4592 -13.3256 -13.3256 -13.2998 -13.2998 -4.2471 -4.2471 -4.2454 -4.2454 -4.1114 -4.1114 -2.0825 -2.0825 -2.0791 -2.0791 -2.0784 -2.0784 1.4230 1.4230 6.5260 6.5260 6.7667 6.7667 6.8610 6.8610 7.8179 7.8179 8.3509 8.3509 8.9052 8.9052 9.2996 9.2996 9.9748 9.9748 10.2229 10.2229 10.3114 10.3114 k = 0.1222 0.1222-0.0000 ( 4405 PWs) bands (ev): -32.6124 -32.6124 -32.5626 -32.5626 -32.5609 -32.5609 -13.9519 -13.9519 -13.9491 -13.9491 -13.8631 -13.8631 -13.6124 -13.6124 -13.6073 -13.6073 -13.5574 -13.5574 -13.4587 -13.4587 -13.3218 -13.3218 -13.2997 -13.2997 -4.2474 -4.2474 -4.2459 -4.2459 -4.1241 -4.1241 -2.0830 -2.0830 -2.0799 -2.0799 -2.0790 -2.0790 1.4036 1.4036 6.5742 6.5742 6.7834 6.7834 6.8671 6.8671 7.9261 7.9261 8.4190 8.4190 8.9548 8.9548 9.2696 9.2696 9.9531 9.9531 10.1580 10.1580 10.2608 10.2608 k = 0.1111 0.1111-0.0000 ( 4415 PWs) bands (ev): -32.6130 -32.6130 -32.5621 -32.5621 -32.5608 -32.5608 -13.9526 -13.9526 -13.9501 -13.9501 -13.8629 -13.8629 -13.6122 -13.6122 -13.6079 -13.6079 -13.5573 -13.5573 -13.4583 -13.4583 -13.3182 -13.3182 -13.2996 -13.2996 -4.2476 -4.2476 -4.2464 -4.2464 -4.1358 -4.1358 -2.0835 -2.0835 -2.0809 -2.0809 -2.0794 -2.0794 1.3855 1.3855 6.6194 6.6194 6.7991 6.7991 6.8730 6.8730 8.0329 8.0329 8.4895 8.4895 9.0022 9.0022 9.2479 9.2479 9.9331 9.9331 10.0901 10.0901 10.2165 10.2165 k = 0.1000 0.1000-0.0000 ( 4413 PWs) bands (ev): -32.6136 -32.6136 -32.5618 -32.5618 -32.5606 -32.5606 -13.9531 -13.9531 -13.9511 -13.9511 -13.8627 -13.8627 -13.6121 -13.6121 -13.6085 -13.6085 -13.5571 -13.5571 -13.4580 -13.4580 -13.3148 -13.3148 -13.2995 -13.2995 -4.2479 -4.2479 -4.2468 -4.2468 -4.1467 -4.1467 -2.0839 -2.0839 -2.0818 -2.0818 -2.0798 -2.0798 1.3689 1.3689 6.6612 6.6612 6.8140 6.8140 6.8785 6.8785 8.1370 8.1370 8.5614 8.5614 9.0422 9.0422 9.2402 9.2402 9.9149 9.9149 10.0221 10.0221 10.1773 10.1773 k = 0.0889 0.0889-0.0000 ( 4411 PWs) bands (ev): -32.6141 -32.6141 -32.5614 -32.5614 -32.5605 -32.5605 -13.9537 -13.9537 -13.9520 -13.9520 -13.8625 -13.8625 -13.6120 -13.6120 -13.6091 -13.6091 -13.5569 -13.5569 -13.4578 -13.4578 -13.3116 -13.3116 -13.2993 -13.2993 -4.2481 -4.2481 -4.2472 -4.2472 -4.1565 -4.1565 -2.0844 -2.0844 -2.0827 -2.0827 -2.0800 -2.0800 1.3539 1.3539 6.6990 6.6990 6.8283 6.8283 6.8839 6.8839 8.2375 8.2375 8.6332 8.6332 9.0660 9.0660 9.2559 9.2559 9.8983 9.8983 9.9568 9.9568 10.1420 10.1420 k = 0.0778 0.0778-0.0000 ( 4415 PWs) bands (ev): -32.6145 -32.6145 -32.5611 -32.5611 -32.5604 -32.5604 -13.9542 -13.9542 -13.9528 -13.9528 -13.8623 -13.8623 -13.6118 -13.6118 -13.6097 -13.6097 -13.5566 -13.5566 -13.4576 -13.4576 -13.3087 -13.3087 -13.2992 -13.2992 -4.2483 -4.2483 -4.2476 -4.2476 -4.1653 -4.1653 -2.0848 -2.0848 -2.0834 -2.0834 -2.0803 -2.0803 1.3406 1.3406 6.7320 6.7320 6.8421 6.8421 6.8891 6.8891 8.3337 8.3337 8.7021 8.7021 9.0711 9.0711 9.2980 9.2980 9.8821 9.8821 9.8980 9.8980 10.1097 10.1097 k = 0.0667 0.0667-0.0000 ( 4407 PWs) bands (ev): -32.6149 -32.6149 -32.5608 -32.5608 -32.5603 -32.5603 -13.9546 -13.9546 -13.9535 -13.9535 -13.8622 -13.8622 -13.6118 -13.6118 -13.6101 -13.6101 -13.5564 -13.5564 -13.4574 -13.4574 -13.3061 -13.3061 -13.2990 -13.2990 -4.2485 -4.2485 -4.2479 -4.2479 -4.1730 -4.1730 -2.0851 -2.0851 -2.0842 -2.0842 -2.0805 -2.0805 1.3288 1.3288 6.7596 6.7596 6.8559 6.8559 6.8940 6.8940 8.4252 8.4252 8.7644 8.7644 9.0648 9.0648 9.3597 9.3597 9.8429 9.8429 9.8726 9.8726 10.0798 10.0798 k = 0.0556 0.0556-0.0000 ( 4407 PWs) bands (ev): -32.6152 -32.6152 -32.5606 -32.5606 -32.5602 -32.5602 -13.9549 -13.9549 -13.9542 -13.9542 -13.8621 -13.8621 -13.6117 -13.6117 -13.6105 -13.6105 -13.5561 -13.5561 -13.4574 -13.4574 -13.3039 -13.3039 -13.2989 -13.2989 -4.2486 -4.2486 -4.2482 -4.2482 -4.1796 -4.1796 -2.0854 -2.0854 -2.0848 -2.0848 -2.0806 -2.0806 1.3189 1.3189 6.7814 6.7814 6.8694 6.8694 6.8986 6.8986 8.5122 8.5122 8.8161 8.8161 9.0530 9.0530 9.4342 9.4342 9.8037 9.8037 9.8614 9.8614 10.0512 10.0512 k = 0.0444 0.0444-0.0000 ( 4405 PWs) bands (ev): -32.6155 -32.6155 -32.5604 -32.5604 -32.5601 -32.5601 -13.9552 -13.9552 -13.9548 -13.9548 -13.8620 -13.8620 -13.6116 -13.6116 -13.6109 -13.6109 -13.5559 -13.5559 -13.4573 -13.4573 -13.3020 -13.3020 -13.2987 -13.2987 -4.2487 -4.2487 -4.2485 -4.2485 -4.1850 -4.1850 -2.0857 -2.0857 -2.0853 -2.0853 -2.0807 -2.0807 1.3106 1.3106 6.7975 6.7975 6.8825 6.8825 6.9028 6.9028 8.5947 8.5947 8.8544 8.8544 9.0366 9.0366 9.5175 9.5175 9.7797 9.7797 9.8525 9.8525 10.0224 10.0224 k = 0.0333 0.0333-0.0000 ( 4399 PWs) bands (ev): -32.6157 -32.6157 -32.5602 -32.5602 -32.5601 -32.5601 -13.9555 -13.9555 -13.9552 -13.9552 -13.8619 -13.8619 -13.6116 -13.6116 -13.6112 -13.6112 -13.5558 -13.5558 -13.4572 -13.4572 -13.3005 -13.3005 -13.2986 -13.2986 -4.2488 -4.2488 -4.2487 -4.2487 -4.1892 -4.1892 -2.0859 -2.0859 -2.0857 -2.0857 -2.0809 -2.0809 1.3042 1.3042 6.8088 6.8088 6.8941 6.8941 6.9062 6.9062 8.6727 8.6727 8.8795 8.8795 9.0133 9.0133 9.6066 9.6066 9.7738 9.7738 9.8456 9.8456 9.9911 9.9911 k = 0.0222 0.0222-0.0000 ( 4389 PWs) bands (ev): -32.6158 -32.6158 -32.5601 -32.5601 -32.5600 -32.5600 -13.9556 -13.9556 -13.9555 -13.9555 -13.8618 -13.8618 -13.6116 -13.6116 -13.6114 -13.6114 -13.5557 -13.5557 -13.4572 -13.4572 -13.2994 -13.2994 -13.2985 -13.2985 -4.2489 -4.2489 -4.2488 -4.2488 -4.1922 -4.1922 -2.0861 -2.0861 -2.0860 -2.0860 -2.0809 -2.0809 1.2996 1.2996 6.8161 6.8161 6.9032 6.9032 6.9089 6.9089 8.7459 8.7459 8.8939 8.8939 8.9805 8.9805 9.6971 9.6971 9.7854 9.7854 9.8408 9.8408 9.9549 9.9549 k = 0.0111 0.0111-0.0000 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9557 -13.9557 -13.9557 -13.9557 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5556 -13.5556 -13.4572 -13.4572 -13.2987 -13.2987 -13.2985 -13.2985 -4.2489 -4.2489 -4.2489 -4.2489 -4.1941 -4.1941 -2.0862 -2.0862 -2.0861 -2.0861 -2.0810 -2.0810 1.2968 1.2968 6.8202 6.8202 6.9091 6.9091 6.9105 6.9105 8.8124 8.8124 8.9010 8.9010 8.9383 8.9383 9.7825 9.7825 9.8101 9.8101 9.8385 9.8385 9.9152 9.9152 k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9558 -13.9558 -13.9558 -13.9558 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5555 -13.5555 -13.4572 -13.4572 -13.2984 -13.2984 -13.2984 -13.2984 -4.2489 -4.2489 -4.2489 -4.2489 -4.1947 -4.1947 -2.0862 -2.0862 -2.0862 -2.0862 -2.0810 -2.0810 1.2959 1.2959 6.8215 6.8215 6.9111 6.9111 6.9111 6.9111 8.8556 8.8556 8.9031 8.9031 8.9031 8.9031 9.8293 9.8293 9.8293 9.8293 9.8510 9.8510 9.8907 9.8907 k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9558 -13.9558 -13.9558 -13.9558 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5555 -13.5555 -13.4572 -13.4572 -13.2984 -13.2984 -13.2984 -13.2984 -4.2489 -4.2489 -4.2489 -4.2489 -4.1947 -4.1947 -2.0862 -2.0862 -2.0862 -2.0862 -2.0810 -2.0810 1.2959 1.2959 6.8215 6.8215 6.9111 6.9111 6.9111 6.9111 8.8556 8.8556 8.9031 8.9031 8.9031 8.9031 9.8293 9.8293 9.8293 9.8293 9.8510 9.8510 9.8907 9.8907 k = 0.0091 0.0091 0.0091 ( 4385 PWs) bands (ev): -32.6159 -32.6159 -32.5600 -32.5600 -32.5600 -32.5600 -13.9557 -13.9557 -13.9557 -13.9557 -13.8618 -13.8618 -13.6115 -13.6115 -13.6115 -13.6115 -13.5556 -13.5556 -13.4572 -13.4572 -13.2987 -13.2987 -13.2985 -13.2985 -4.2489 -4.2489 -4.2489 -4.2489 -4.1941 -4.1941 -2.0861 -2.0861 -2.0861 -2.0861 -2.0810 -2.0810 1.2968 1.2968 6.8202 6.8202 6.9092 6.9092 6.9103 6.9103 8.8127 8.8127 8.8999 8.8999 8.9390 8.9390 9.7829 9.7829 9.8072 9.8072 9.8409 9.8409 9.9184 9.9184 k = 0.0182 0.0182 0.0182 ( 4385 PWs) bands (ev): -32.6158 -32.6158 -32.5601 -32.5601 -32.5601 -32.5601 -13.9556 -13.9556 -13.9556 -13.9556 -13.8618 -13.8618 -13.6116 -13.6116 -13.6114 -13.6114 -13.5557 -13.5557 -13.4572 -13.4572 -13.2994 -13.2994 -13.2985 -13.2985 -4.2489 -4.2489 -4.2488 -4.2488 -4.1922 -4.1922 -2.0860 -2.0860 -2.0860 -2.0860 -2.0809 -2.0809 1.2996 1.2996 6.8162 6.8162 6.9036 6.9036 6.9083 6.9083 8.7477 8.7477 8.8905 8.8905 8.9814 8.9814 9.6998 9.6998 9.7741 9.7741 9.8516 9.8516 9.9684 9.9684 k = 0.0273 0.0273 0.0273 ( 4403 PWs) bands (ev): -32.6157 -32.6157 -32.5602 -32.5602 -32.5602 -32.5602 -13.9554 -13.9554 -13.9553 -13.9553 -13.8619 -13.8619 -13.6116 -13.6116 -13.6112 -13.6112 -13.5558 -13.5558 -13.4572 -13.4572 -13.3006 -13.3006 -13.2985 -13.2985 -4.2488 -4.2488 -4.2487 -4.2487 -4.1892 -4.1892 -2.0859 -2.0859 -2.0857 -2.0857 -2.0809 -2.0809 1.3042 1.3042 6.8092 6.8092 6.8944 6.8944 6.9052 6.9052 8.6773 8.6773 8.8748 8.8748 9.0091 9.0091 9.6195 9.6195 9.7450 9.7450 9.8705 9.8705 10.0253 10.0260 k = 0.0364 0.0364 0.0364 ( 4403 PWs) bands (ev): -32.6155 -32.6155 -32.5603 -32.5603 -32.5603 -32.5603 -13.9551 -13.9551 -13.9549 -13.9549 -13.8620 -13.8620 -13.6117 -13.6117 -13.6108 -13.6108 -13.5559 -13.5559 -13.4573 -13.4573 -13.3021 -13.3021 -13.2986 -13.2986 -4.2487 -4.2487 -4.2485 -4.2485 -4.1849 -4.1849 -2.0856 -2.0856 -2.0853 -2.0853 -2.0807 -2.0807 1.3107 1.3107 6.7991 6.7991 6.8817 6.8817 6.9015 6.9015 8.6030 8.6030 8.8534 8.8534 9.0132 9.0132 9.5555 9.5555 9.7221 9.7221 9.8971 9.8971 10.0598 10.0599 k = 0.0455 0.0455 0.0455 ( 4406 PWs) bands (ev): -32.6152 -32.6152 -32.5604 -32.5604 -32.5604 -32.5604 -13.9547 -13.9547 -13.9544 -13.9544 -13.8621 -13.8621 -13.6118 -13.6118 -13.6104 -13.6104 -13.5561 -13.5561 -13.4574 -13.4574 -13.3041 -13.3041 -13.2986 -13.2986 -4.2486 -4.2486 -4.2483 -4.2483 -4.1794 -4.1794 -2.0853 -2.0853 -2.0849 -2.0849 -2.0806 -2.0806 1.3190 1.3190 6.7854 6.7854 6.8656 6.8656 6.8975 6.8975 8.5253 8.5253 8.8266 8.8266 8.9865 8.9865 9.5183 9.5183 9.7060 9.7060 9.9310 9.9310 10.0892 10.0892 k = 0.0545 0.0545 0.0545 ( 4412 PWs) bands (ev): -32.6149 -32.6149 -32.5605 -32.5605 -32.5605 -32.5605 -13.9543 -13.9543 -13.9539 -13.9539 -13.8622 -13.8622 -13.6120 -13.6120 -13.6100 -13.6100 -13.5563 -13.5563 -13.4575 -13.4575 -13.3064 -13.3064 -13.2987 -13.2987 -4.2484 -4.2484 -4.2480 -4.2480 -4.1728 -4.1728 -2.0850 -2.0850 -2.0843 -2.0843 -2.0804 -2.0804 1.3290 1.3290 6.7682 6.7682 6.8462 6.8462 6.8933 6.8933 8.4442 8.4442 8.7950 8.7950 8.9304 8.9304 9.5091 9.5091 9.6964 9.6964 9.9715 9.9715 10.1183 10.1183 k = 0.0636 0.0636 0.0636 ( 4412 PWs) bands (ev): -32.6145 -32.6145 -32.5607 -32.5607 -32.5607 -32.5607 -13.9538 -13.9538 -13.9532 -13.9532 -13.8623 -13.8623 -13.6122 -13.6122 -13.6094 -13.6094 -13.5566 -13.5566 -13.4577 -13.4577 -13.3091 -13.3091 -13.2987 -13.2987 -4.2482 -4.2482 -4.2476 -4.2476 -4.1650 -4.1650 -2.0846 -2.0846 -2.0836 -2.0836 -2.0802 -2.0802 1.3408 1.3408 6.7475 6.7475 6.8238 6.8238 6.8890 6.8890 8.3596 8.3596 8.7593 8.7593 8.8547 8.8547 9.5203 9.5203 9.6932 9.6932 10.0178 10.0178 10.1494 10.1494 k = 0.0727 0.0727 0.0727 ( 4400 PWs) bands (ev): -32.6140 -32.6140 -32.5609 -32.5609 -32.5609 -32.5609 -13.9532 -13.9532 -13.9525 -13.9525 -13.8624 -13.8624 -13.6124 -13.6124 -13.6086 -13.6086 -13.5567 -13.5567 -13.4580 -13.4580 -13.3120 -13.3120 -13.2987 -13.2987 -4.2480 -4.2480 -4.2473 -4.2473 -4.1561 -4.1561 -2.0842 -2.0842 -2.0829 -2.0829 -2.0800 -2.0800 1.3543 1.3543 6.7234 6.7234 6.7986 6.7986 6.8844 6.8844 8.2714 8.2714 8.7202 8.7202 8.7697 8.7697 9.5435 9.5435 9.6959 9.6959 10.0681 10.0681 10.1842 10.1842 k = 0.0818 0.0818 0.0818 ( 4406 PWs) bands (ev): -32.6136 -32.6136 -32.5612 -32.5612 -32.5612 -32.5612 -13.9526 -13.9526 -13.9517 -13.9517 -13.8626 -13.8626 -13.6128 -13.6128 -13.6078 -13.6078 -13.5569 -13.5569 -13.4583 -13.4583 -13.3152 -13.3152 -13.2988 -13.2988 -4.2478 -4.2478 -4.2469 -4.2469 -4.1460 -4.1460 -2.0837 -2.0837 -2.0820 -2.0820 -2.0797 -2.0797 1.3695 1.3695 6.6964 6.6964 6.7708 6.7708 6.8793 6.8793 8.1797 8.1797 8.6785 8.6785 8.6825 8.6825 9.5730 9.5730 9.7039 9.7039 10.1201 10.1201 10.2249 10.2249 k = 0.0909 0.0909 0.0909 ( 4415 PWs) bands (ev): -32.6130 -32.6130 -32.5615 -32.5615 -32.5615 -32.5615 -13.9519 -13.9519 -13.9509 -13.9509 -13.8628 -13.8628 -13.6134 -13.6134 -13.6069 -13.6069 -13.5571 -13.5571 -13.4589 -13.4589 -13.3186 -13.3186 -13.2988 -13.2988 -4.2476 -4.2476 -4.2465 -4.2465 -4.1349 -4.1349 -2.0832 -2.0832 -2.0811 -2.0811 -2.0794 -2.0794 1.3863 1.3863 6.6667 6.6667 6.7406 6.7406 6.8734 6.8734 8.0851 8.0851 8.5971 8.5971 8.6347 8.6347 9.6060 9.6060 9.7167 9.7167 10.1709 10.1709 10.2734 10.2734 k = 0.1000 0.1000 0.1000 ( 4415 PWs) bands (ev): -32.6124 -32.6124 -32.5618 -32.5618 -32.5618 -32.5618 -13.9513 -13.9513 -13.9501 -13.9501 -13.8631 -13.8631 -13.6140 -13.6140 -13.6058 -13.6058 -13.5571 -13.5571 -13.4596 -13.4596 -13.3221 -13.3221 -13.2988 -13.2988 -4.2473 -4.2473 -4.2460 -4.2460 -4.1228 -4.1228 -2.0828 -2.0828 -2.0802 -2.0802 -2.0790 -2.0790 1.4045 1.4045 6.6346 6.6346 6.7084 6.7084 6.8661 6.8661 7.9884 7.9884 8.5153 8.5153 8.5896 8.5896 9.6411 9.6411 9.7337 9.7337 10.2193 10.2193 10.3304 10.3304 k = 0.1091 0.1091 0.1091 ( 4406 PWs) bands (ev): -32.6117 -32.6117 -32.5621 -32.5621 -32.5621 -32.5621 -13.9506 -13.9506 -13.9492 -13.9492 -13.8633 -13.8633 -13.6147 -13.6147 -13.6046 -13.6046 -13.5570 -13.5570 -13.4605 -13.4605 -13.3256 -13.3256 -13.2988 -13.2988 -4.2470 -4.2470 -4.2455 -4.2455 -4.1096 -4.1096 -2.0823 -2.0823 -2.0791 -2.0791 -2.0785 -2.0785 1.4243 1.4243 6.6005 6.6005 6.6742 6.6742 6.8569 6.8569 7.8910 7.8910 8.4381 8.4381 8.5435 8.5435 9.6775 9.6775 9.7546 9.7546 10.2657 10.2657 10.3946 10.3946 k = 0.1182 0.1182 0.1182 ( 4418 PWs) bands (ev): -32.6110 -32.6110 -32.5624 -32.5624 -32.5624 -32.5624 -13.9499 -13.9499 -13.9483 -13.9483 -13.8636 -13.8636 -13.6157 -13.6157 -13.6034 -13.6034 -13.5569 -13.5569 -13.4616 -13.4616 -13.3291 -13.3291 -13.2988 -13.2988 -4.2467 -4.2467 -4.2451 -4.2451 -4.0956 -4.0956 -2.0819 -2.0819 -2.0781 -2.0781 -2.0780 -2.0780 1.4454 1.4454 6.5647 6.5647 6.6384 6.6384 6.8450 6.8450 7.7945 7.7945 8.3654 8.3654 8.4970 8.4970 9.7151 9.7151 9.7789 9.7789 10.3116 10.3116 10.4636 10.4636 k = 0.1273 0.1273 0.1273 ( 4418 PWs) bands (ev): -32.6103 -32.6103 -32.5628 -32.5628 -32.5628 -32.5628 -13.9493 -13.9493 -13.9475 -13.9475 -13.8640 -13.8640 -13.6168 -13.6168 -13.6019 -13.6019 -13.5566 -13.5566 -13.4631 -13.4631 -13.3325 -13.3325 -13.2987 -13.2987 -4.2464 -4.2464 -4.2446 -4.2446 -4.0806 -4.0806 -2.0815 -2.0815 -2.0774 -2.0774 -2.0770 -2.0770 1.4679 1.4679 6.5275 6.5275 6.6013 6.6013 6.8297 6.8297 7.7008 7.7008 8.2971 8.2971 8.4504 8.4504 9.7537 9.7537 9.8063 9.8063 10.3583 10.3583 10.5354 10.5354 k = 0.1364 0.1364 0.1364 ( 4410 PWs) bands (ev): -32.6095 -32.6095 -32.5632 -32.5632 -32.5632 -32.5632 -13.9486 -13.9486 -13.9466 -13.9466 -13.8644 -13.8644 -13.6181 -13.6181 -13.6003 -13.6003 -13.5561 -13.5561 -13.4649 -13.4649 -13.3356 -13.3356 -13.2986 -13.2986 -4.2461 -4.2461 -4.2440 -4.2440 -4.0648 -4.0648 -2.0812 -2.0812 -2.0767 -2.0767 -2.0758 -2.0758 1.4915 1.4915 6.4892 6.4892 6.5630 6.5630 6.8096 6.8096 7.6118 7.6118 8.2327 8.2327 8.4040 8.4040 9.7933 9.7933 9.8363 9.8363 10.4064 10.4064 10.6085 10.6085 k = 0.1455 0.1455 0.1455 ( 4410 PWs) bands (ev): -32.6086 -32.6086 -32.5636 -32.5636 -32.5636 -32.5636 -13.9480 -13.9480 -13.9458 -13.9458 -13.8648 -13.8648 -13.6196 -13.6196 -13.5986 -13.5986 -13.5556 -13.5556 -13.4671 -13.4671 -13.3384 -13.3384 -13.2985 -13.2985 -4.2458 -4.2458 -4.2435 -4.2435 -4.0481 -4.0481 -2.0810 -2.0810 -2.0760 -2.0760 -2.0746 -2.0746 1.5162 1.5162 6.4499 6.4499 6.5238 6.5238 6.7838 6.7838 7.5295 7.5295 8.1720 8.1720 8.3581 8.3581 9.8338 9.8338 9.8689 9.8689 10.4563 10.4563 10.6817 10.6817 k = 0.1545 0.1545 0.1545 ( 4410 PWs) bands (ev): -32.6078 -32.6078 -32.5640 -32.5640 -32.5640 -32.5640 -13.9475 -13.9475 -13.9451 -13.9451 -13.8654 -13.8654 -13.6212 -13.6212 -13.5967 -13.5967 -13.5549 -13.5549 -13.4697 -13.4697 -13.3409 -13.3409 -13.2983 -13.2983 -4.2455 -4.2455 -4.2430 -4.2430 -4.0308 -4.0308 -2.0808 -2.0808 -2.0752 -2.0752 -2.0735 -2.0735 1.5420 1.5420 6.4100 6.4100 6.4838 6.4838 6.7508 6.7508 7.4557 7.4557 8.1146 8.1146 8.3128 8.3128 9.8753 9.8753 9.9036 9.9036 10.5082 10.5082 10.7540 10.7540 k = 0.1636 0.1636 0.1636 ( 4410 PWs) bands (ev): -32.6069 -32.6069 -32.5644 -32.5644 -32.5644 -32.5644 -13.9470 -13.9470 -13.9444 -13.9444 -13.8660 -13.8660 -13.6230 -13.6230 -13.5947 -13.5947 -13.5541 -13.5541 -13.4727 -13.4727 -13.3429 -13.3429 -13.2981 -13.2981 -4.2452 -4.2452 -4.2425 -4.2425 -4.0127 -4.0127 -2.0806 -2.0806 -2.0744 -2.0744 -2.0723 -2.0723 1.5686 1.5686 6.3696 6.3696 6.4433 6.4433 6.7098 6.7098 7.3918 7.3918 8.0604 8.0604 8.2684 8.2684 9.9178 9.9178 9.9403 9.9403 10.5621 10.5621 10.8247 10.8247 k = 0.1727 0.1727 0.1727 ( 4410 PWs) bands (ev): -32.6059 -32.6059 -32.5649 -32.5649 -32.5649 -32.5649 -13.9465 -13.9465 -13.9438 -13.9438 -13.8667 -13.8667 -13.6251 -13.6251 -13.5925 -13.5925 -13.5532 -13.5532 -13.4762 -13.4762 -13.3445 -13.3445 -13.2978 -13.2978 -4.2449 -4.2449 -4.2421 -4.2421 -3.9940 -3.9940 -2.0805 -2.0805 -2.0735 -2.0735 -2.0711 -2.0711 1.5960 1.5960 6.3290 6.3290 6.4025 6.4025 6.6606 6.6606 7.3385 7.3385 8.0091 8.0091 8.2249 8.2249 9.9611 9.9611 9.9787 9.9787 10.6179 10.6179 10.8928 10.8928 k = 0.1818 0.1818 0.1818 ( 4410 PWs) bands (ev): -32.6050 -32.6050 -32.5653 -32.5653 -32.5653 -32.5653 -13.9462 -13.9462 -13.9433 -13.9433 -13.8675 -13.8675 -13.6272 -13.6272 -13.5902 -13.5902 -13.5522 -13.5522 -13.4801 -13.4801 -13.3455 -13.3455 -13.2975 -13.2975 -4.2445 -4.2445 -4.2416 -4.2416 -3.9748 -3.9748 -2.0804 -2.0804 -2.0727 -2.0727 -2.0699 -2.0699 1.6241 1.6241 6.2882 6.2882 6.3614 6.3614 6.6039 6.6039 7.2954 7.2954 7.9606 7.9606 8.1826 8.1826 10.0052 10.0052 10.0187 10.0187 10.6754 10.6754 10.9576 10.9576 k = 0.1909 0.1909 0.1909 ( 4404 PWs) bands (ev): -32.6040 -32.6040 -32.5658 -32.5658 -32.5658 -32.5658 -13.9459 -13.9459 -13.9429 -13.9429 -13.8684 -13.8684 -13.6295 -13.6295 -13.5878 -13.5878 -13.5511 -13.5511 -13.4844 -13.4844 -13.3461 -13.3461 -13.2971 -13.2971 -4.2442 -4.2442 -4.2411 -4.2411 -3.9550 -3.9550 -2.0804 -2.0804 -2.0718 -2.0718 -2.0687 -2.0687 1.6526 1.6526 6.2474 6.2474 6.3204 6.3204 6.5410 6.5410 7.2614 7.2614 7.9150 7.9150 8.1415 8.1415 10.0501 10.0501 10.0600 10.0600 10.7343 10.7343 11.0182 11.0182 k = 0.2000 0.2000 0.2000 ( 4404 PWs) bands (ev): -32.6030 -32.6030 -32.5663 -32.5663 -32.5663 -32.5663 -13.9457 -13.9457 -13.9426 -13.9426 -13.8695 -13.8695 -13.6319 -13.6319 -13.5852 -13.5852 -13.5499 -13.5499 -13.4890 -13.4890 -13.3461 -13.3461 -13.2967 -13.2967 -4.2439 -4.2439 -4.2407 -4.2407 -3.9348 -3.9348 -2.0805 -2.0805 -2.0710 -2.0710 -2.0676 -2.0676 1.6815 1.6815 6.2066 6.2066 6.2795 6.2795 6.4739 6.4739 7.2349 7.2349 7.8721 7.8721 8.1018 8.1018 10.0956 10.0956 10.1025 10.1025 10.7944 10.7944 11.0737 11.0737 k = 0.2091 0.2091 0.2091 ( 4404 PWs) bands (ev): -32.6019 -32.6019 -32.5668 -32.5668 -32.5668 -32.5668 -13.9456 -13.9456 -13.9424 -13.9424 -13.8707 -13.8707 -13.6345 -13.6345 -13.5825 -13.5825 -13.5487 -13.5487 -13.4938 -13.4938 -13.3456 -13.3456 -13.2962 -13.2962 -4.2436 -4.2436 -4.2403 -4.2403 -3.9142 -3.9142 -2.0805 -2.0805 -2.0701 -2.0701 -2.0665 -2.0665 1.7106 1.7106 6.1660 6.1660 6.2388 6.2388 6.4042 6.4042 7.2142 7.2142 7.8320 7.8320 8.0634 8.0634 10.1416 10.1416 10.1459 10.1459 10.8548 10.8548 11.1231 11.1231 k = 0.2182 0.2182 0.2182 ( 4410 PWs) bands (ev): -32.6009 -32.6009 -32.5673 -32.5673 -32.5673 -32.5673 -13.9455 -13.9455 -13.9423 -13.9423 -13.8720 -13.8720 -13.6371 -13.6371 -13.5796 -13.5796 -13.5475 -13.5475 -13.4989 -13.4989 -13.3446 -13.3446 -13.2956 -13.2956 -4.2433 -4.2433 -4.2400 -4.2400 -3.8934 -3.8934 -2.0807 -2.0807 -2.0693 -2.0693 -2.0655 -2.0655 1.7398 1.7398 6.1256 6.1256 6.1985 6.1985 6.3339 6.3339 7.1978 7.1978 7.7948 7.7948 8.0266 8.0266 10.1881 10.1881 10.1900 10.1900 10.9145 10.9145 11.1657 11.1657 k = 0.2273 0.2273 0.2273 ( 4401 PWs) bands (ev): -32.5998 -32.5998 -32.5678 -32.5678 -32.5678 -32.5678 -13.9456 -13.9456 -13.9424 -13.9424 -13.8735 -13.8735 -13.6399 -13.6399 -13.5767 -13.5767 -13.5463 -13.5463 -13.5039 -13.5039 -13.3432 -13.3432 -13.2950 -13.2950 -4.2431 -4.2431 -4.2396 -4.2396 -3.8722 -3.8722 -2.0809 -2.0809 -2.0684 -2.0684 -2.0645 -2.0645 1.7689 1.7689 6.0852 6.0852 6.1587 6.1587 6.2643 6.2643 7.1844 7.1844 7.7606 7.7606 7.9913 7.9913 10.2347 10.2347 10.2347 10.2347 10.9719 10.9719 11.2008 11.2008 k = 0.2364 0.2364 0.2364 ( 4395 PWs) bands (ev): -32.5987 -32.5987 -32.5683 -32.5683 -32.5683 -32.5683 -13.9457 -13.9457 -13.9425 -13.9425 -13.8751 -13.8751 -13.6427 -13.6427 -13.5736 -13.5736 -13.5452 -13.5452 -13.5089 -13.5089 -13.3414 -13.3414 -13.2943 -13.2943 -4.2428 -4.2428 -4.2393 -4.2393 -3.8509 -3.8509 -2.0811 -2.0811 -2.0676 -2.0676 -2.0635 -2.0635 1.7978 1.7978 6.0447 6.0447 6.1195 6.1195 6.1968 6.1968 7.1730 7.1730 7.7293 7.7293 7.9576 7.9576 10.2795 10.2795 10.2814 10.2814 11.0236 11.0236 11.2278 11.2278 k = 0.2455 0.2455 0.2455 ( 4401 PWs) bands (ev): -32.5976 -32.5976 -32.5688 -32.5688 -32.5688 -32.5688 -13.9459 -13.9459 -13.9428 -13.9428 -13.8770 -13.8770 -13.6456 -13.6456 -13.5705 -13.5705 -13.5444 -13.5444 -13.5138 -13.5138 -13.3392 -13.3392 -13.2935 -13.2935 -4.2426 -4.2426 -4.2391 -4.2391 -3.8295 -3.8295 -2.0814 -2.0814 -2.0668 -2.0668 -2.0626 -2.0626 1.8263 1.8263 6.0038 6.0038 6.0809 6.0809 6.1325 6.1325 7.1627 7.1627 7.7012 7.7012 7.9255 7.9255 10.3243 10.3243 10.3278 10.3278 11.0646 11.0646 11.2463 11.2463 k = 0.2545 0.2545 0.2545 ( 4401 PWs) bands (ev): -32.5966 -32.5966 -32.5694 -32.5694 -32.5694 -32.5694 -13.9462 -13.9462 -13.9432 -13.9432 -13.8791 -13.8791 -13.6485 -13.6485 -13.5673 -13.5673 -13.5439 -13.5439 -13.5181 -13.5181 -13.3368 -13.3368 -13.2927 -13.2927 -4.2423 -4.2423 -4.2389 -4.2389 -3.8081 -3.8081 -2.0818 -2.0818 -2.0661 -2.0661 -2.0618 -2.0618 1.8542 1.8542 5.9621 5.9621 6.0431 6.0431 6.0726 6.0726 7.1531 7.1531 7.6762 7.6762 7.8952 7.8952 10.3687 10.3687 10.3736 10.3736 11.0884 11.0884 11.2561 11.2562 k = 0.2636 0.2636 0.2636 ( 4395 PWs) bands (ev): -32.5955 -32.5955 -32.5699 -32.5699 -32.5699 -32.5699 -13.9466 -13.9466 -13.9437 -13.9437 -13.8813 -13.8813 -13.6515 -13.6515 -13.5640 -13.5640 -13.5440 -13.5440 -13.5217 -13.5217 -13.3340 -13.3340 -13.2918 -13.2918 -4.2421 -4.2421 -4.2387 -4.2387 -3.7867 -3.7867 -2.0822 -2.0822 -2.0654 -2.0654 -2.0610 -2.0610 1.8815 1.8815 5.9191 5.9191 6.0062 6.0062 6.0180 6.0180 7.1435 7.1435 7.6544 7.6544 7.8665 7.8665 10.4123 10.4123 10.4186 10.4186 11.0915 11.0915 11.2573 11.2577 k = 0.2727 0.2727 0.2727 ( 4401 PWs) bands (ev): -32.5944 -32.5944 -32.5704 -32.5704 -32.5704 -32.5704 -13.9471 -13.9471 -13.9443 -13.9443 -13.8838 -13.8838 -13.6545 -13.6545 -13.5607 -13.5607 -13.5451 -13.5451 -13.5243 -13.5243 -13.3310 -13.3310 -13.2909 -13.2909 -4.2420 -4.2420 -4.2385 -4.2385 -3.7653 -3.7653 -2.0826 -2.0826 -2.0647 -2.0647 -2.0603 -2.0603 1.9078 1.9078 5.8749 5.8749 5.9691 5.9691 5.9701 5.9701 7.1337 7.1337 7.6358 7.6358 7.8395 7.8395 10.4546 10.4546 10.4623 10.4623 11.0769 11.0769 11.2514 11.2528 k = 0.2818 0.2818 0.2818 ( 4401 PWs) bands (ev): -32.5933 -32.5933 -32.5709 -32.5709 -32.5709 -32.5709 -13.9476 -13.9476 -13.9450 -13.9450 -13.8864 -13.8864 -13.6576 -13.6576 -13.5574 -13.5574 -13.5472 -13.5472 -13.5256 -13.5256 -13.3279 -13.3279 -13.2898 -13.2898 -4.2418 -4.2418 -4.2384 -4.2384 -3.7442 -3.7442 -2.0832 -2.0832 -2.0640 -2.0640 -2.0597 -2.0597 1.9333 1.9333 5.8301 5.8301 5.9256 5.9256 5.9350 5.9350 7.1234 7.1234 7.6202 7.6202 7.8143 7.8143 10.4950 10.4950 10.5041 10.5041 11.0504 11.0504 11.2393 11.2399 k = 0.2909 0.2909 0.2909 ( 4404 PWs) bands (ev): -32.5923 -32.5923 -32.5714 -32.5714 -32.5714 -32.5714 -13.9482 -13.9482 -13.9459 -13.9459 -13.8892 -13.8892 -13.6606 -13.6606 -13.5541 -13.5541 -13.5501 -13.5501 -13.5259 -13.5259 -13.3245 -13.3245 -13.2888 -13.2888 -4.2416 -4.2416 -4.2384 -4.2384 -3.7233 -3.7233 -2.0838 -2.0838 -2.0634 -2.0634 -2.0591 -2.0591 1.9576 1.9576 5.7859 5.7859 5.8866 5.8866 5.9010 5.9010 7.1125 7.1125 7.6076 7.6076 7.7908 7.7908 10.5329 10.5329 10.5434 10.5434 11.0170 11.0170 11.2236 11.2248 k = 0.3000 0.3000 0.3000 ( 4398 PWs) bands (ev): -32.5912 -32.5912 -32.5719 -32.5719 -32.5719 -32.5719 -13.9488 -13.9488 -13.9467 -13.9467 -13.8922 -13.8922 -13.6636 -13.6636 -13.5534 -13.5534 -13.5507 -13.5507 -13.5254 -13.5254 -13.3210 -13.3210 -13.2876 -13.2876 -4.2415 -4.2415 -4.2384 -4.2384 -3.7027 -3.7027 -2.0844 -2.0844 -2.0628 -2.0628 -2.0586 -2.0586 1.9806 1.9806 5.7434 5.7434 5.8510 5.8510 5.8681 5.8681 7.1011 7.1011 7.5977 7.5977 7.7691 7.7691 10.5674 10.5674 10.5792 10.5792 10.9796 10.9796 11.2056 11.2087 k = 0.3091 0.3091 0.3091 ( 4404 PWs) bands (ev): -32.5902 -32.5902 -32.5724 -32.5724 -32.5724 -32.5724 -13.9495 -13.9495 -13.9477 -13.9477 -13.8953 -13.8953 -13.6667 -13.6667 -13.5569 -13.5569 -13.5475 -13.5475 -13.5247 -13.5247 -13.3175 -13.3175 -13.2864 -13.2864 -4.2414 -4.2414 -4.2384 -4.2384 -3.6824 -3.6824 -2.0851 -2.0851 -2.0622 -2.0622 -2.0582 -2.0582 2.0024 2.0024 5.7037 5.7037 5.8180 5.8180 5.8362 5.8362 7.0892 7.0892 7.5903 7.5903 7.7490 7.7490 10.5972 10.5972 10.6104 10.6104 10.9399 10.9399 11.1866 11.1967 k = 0.3182 0.3182 0.3182 ( 4404 PWs) bands (ev): -32.5892 -32.5892 -32.5729 -32.5729 -32.5729 -32.5729 -13.9502 -13.9502 -13.9487 -13.9487 -13.8985 -13.8985 -13.6696 -13.6696 -13.5603 -13.5603 -13.5442 -13.5442 -13.5236 -13.5236 -13.3139 -13.3139 -13.2852 -13.2852 -4.2413 -4.2413 -4.2384 -4.2384 -3.6626 -3.6626 -2.0858 -2.0858 -2.0617 -2.0617 -2.0578 -2.0578 2.0227 2.0227 5.6672 5.6672 5.7872 5.7872 5.8056 5.8056 7.0769 7.0769 7.5851 7.5851 7.7307 7.7307 10.6213 10.6213 10.6358 10.6358 10.8990 10.8990 11.1697 11.1706 k = 0.3273 0.3273 0.3273 ( 4398 PWs) bands (ev): -32.5882 -32.5882 -32.5733 -32.5733 -32.5733 -32.5733 -13.9510 -13.9510 -13.9497 -13.9497 -13.9019 -13.9019 -13.6725 -13.6725 -13.5636 -13.5636 -13.5410 -13.5410 -13.5225 -13.5225 -13.3102 -13.3102 -13.2839 -13.2839 -4.2412 -4.2412 -4.2385 -4.2385 -3.6433 -3.6433 -2.0866 -2.0866 -2.0612 -2.0612 -2.0575 -2.0575 2.0416 2.0416 5.6342 5.6342 5.7582 5.7582 5.7762 5.7762 7.0643 7.0643 7.5818 7.5818 7.7139 7.7139 10.6384 10.6384 10.6539 10.6539 10.8579 10.8579 11.1564 11.1617 k = 0.3364 0.3364 0.3364 ( 4404 PWs) bands (ev): -32.5873 -32.5873 -32.5738 -32.5738 -32.5738 -32.5738 -13.9518 -13.9518 -13.9508 -13.9508 -13.9053 -13.9053 -13.6754 -13.6754 -13.5667 -13.5667 -13.5379 -13.5379 -13.5212 -13.5212 -13.3066 -13.3066 -13.2827 -13.2827 -4.2411 -4.2411 -4.2386 -4.2386 -3.6245 -3.6245 -2.0874 -2.0874 -2.0607 -2.0607 -2.0572 -2.0572 2.0590 2.0590 5.6048 5.6048 5.7309 5.7309 5.7480 5.7480 7.0515 7.0515 7.5801 7.5801 7.6988 7.6988 10.6475 10.6475 10.6635 10.6635 10.8170 10.8170 11.1487 11.1538 k = 0.3455 0.3455 0.3455 ( 4392 PWs) bands (ev): -32.5864 -32.5864 -32.5742 -32.5742 -32.5742 -32.5742 -13.9526 -13.9526 -13.9519 -13.9519 -13.9088 -13.9088 -13.6782 -13.6782 -13.5695 -13.5695 -13.5349 -13.5349 -13.5200 -13.5200 -13.3030 -13.3030 -13.2813 -13.2813 -4.2411 -4.2411 -4.2387 -4.2387 -3.6063 -3.6063 -2.0882 -2.0882 -2.0603 -2.0603 -2.0570 -2.0570 2.0749 2.0749 5.5792 5.5792 5.7052 5.7052 5.7212 5.7212 7.0387 7.0387 7.5798 7.5798 7.6852 7.6852 10.6481 10.6481 10.6640 10.6640 10.7769 10.7769 11.1467 11.1468 k = 0.3545 0.3545 0.3545 ( 4398 PWs) bands (ev): -32.5855 -32.5855 -32.5746 -32.5746 -32.5746 -32.5746 -13.9535 -13.9535 -13.9530 -13.9530 -13.9123 -13.9123 -13.6809 -13.6809 -13.5721 -13.5721 -13.5320 -13.5320 -13.5188 -13.5188 -13.2994 -13.2994 -13.2800 -13.2800 -4.2410 -4.2410 -4.2389 -4.2389 -3.5889 -3.5889 -2.0890 -2.0890 -2.0599 -2.0599 -2.0569 -2.0569 2.0892 2.0892 5.5571 5.5571 5.6810 5.6810 5.6956 5.6956 7.0261 7.0261 7.5804 7.5804 7.6731 7.6731 10.6405 10.6405 10.6553 10.6553 10.7382 10.7382 11.1522 11.1549 k = 0.3636 0.3636 0.3636 ( 4404 PWs) bands (ev): -32.5847 -32.5847 -32.5750 -32.5750 -32.5750 -32.5750 -13.9543 -13.9543 -13.9541 -13.9541 -13.9158 -13.9158 -13.6835 -13.6835 -13.5745 -13.5745 -13.5292 -13.5292 -13.5176 -13.5176 -13.2959 -13.2959 -13.2787 -13.2787 -4.2410 -4.2410 -4.2390 -4.2390 -3.5721 -3.5721 -2.0899 -2.0899 -2.0596 -2.0596 -2.0568 -2.0568 2.1021 2.1021 5.5385 5.5385 5.6582 5.6582 5.6715 5.6715 7.0137 7.0137 7.5819 7.5819 7.6623 7.6623 10.6261 10.6261 10.6386 10.6386 10.7013 10.7013 11.1626 11.1651 k = 0.3727 0.3727 0.3727 ( 4404 PWs) bands (ev): -32.5839 -32.5839 -32.5754 -32.5754 -32.5754 -32.5754 -13.9552 -13.9552 -13.9552 -13.9552 -13.9192 -13.9192 -13.6860 -13.6860 -13.5766 -13.5766 -13.5266 -13.5266 -13.5164 -13.5164 -13.2925 -13.2925 -13.2774 -13.2774 -4.2410 -4.2410 -4.2392 -4.2392 -3.5562 -3.5562 -2.0908 -2.0908 -2.0592 -2.0592 -2.0567 -2.0567 2.1135 2.1135 5.5233 5.5233 5.6369 5.6369 5.6487 5.6487 7.0017 7.0017 7.5840 7.5840 7.6529 7.6529 10.6063 10.6063 10.6156 10.6156 10.6667 10.6667 11.1778 11.1785 k = 0.3818 0.3818 0.3818 ( 4410 PWs) bands (ev): -32.5831 -32.5831 -32.5758 -32.5758 -32.5758 -32.5758 -13.9563 -13.9563 -13.9561 -13.9561 -13.9225 -13.9225 -13.6884 -13.6884 -13.5785 -13.5785 -13.5241 -13.5241 -13.5153 -13.5153 -13.2893 -13.2893 -13.2762 -13.2762 -4.2410 -4.2410 -4.2394 -4.2394 -3.5411 -3.5411 -2.0916 -2.0916 -2.0589 -2.0589 -2.0567 -2.0567 2.1235 2.1235 5.5110 5.5110 5.6170 5.6170 5.6274 5.6274 6.9901 6.9901 7.5864 7.5864 7.6447 7.6447 10.5828 10.5828 10.5883 10.5883 10.6340 10.6340 11.1936 11.1937 k = 0.3909 0.3909 0.3909 ( 4410 PWs) bands (ev): -32.5824 -32.5824 -32.5761 -32.5761 -32.5761 -32.5761 -13.9574 -13.9574 -13.9570 -13.9570 -13.9257 -13.9257 -13.6906 -13.6906 -13.5802 -13.5802 -13.5217 -13.5217 -13.5142 -13.5142 -13.2862 -13.2862 -13.2749 -13.2749 -4.2410 -4.2410 -4.2396 -4.2396 -3.5269 -3.5269 -2.0925 -2.0925 -2.0587 -2.0587 -2.0567 -2.0567 2.1322 2.1322 5.5016 5.5016 5.5985 5.5985 5.6075 5.6075 6.9790 6.9790 7.5891 7.5891 7.6377 7.6377 10.5572 10.5572 10.5591 10.5591 10.6030 10.6030 11.2122 11.2126 k = 0.4000 0.4000 0.4000 ( 4416 PWs) bands (ev): -32.5818 -32.5818 -32.5764 -32.5764 -32.5764 -32.5764 -13.9584 -13.9584 -13.9579 -13.9579 -13.9287 -13.9287 -13.6927 -13.6927 -13.5817 -13.5817 -13.5196 -13.5196 -13.5132 -13.5132 -13.2833 -13.2833 -13.2737 -13.2737 -4.2410 -4.2410 -4.2398 -4.2398 -3.5137 -3.5137 -2.0933 -2.0933 -2.0584 -2.0584 -2.0567 -2.0567 2.1397 2.1397 5.4946 5.4946 5.5815 5.5815 5.5892 5.5892 6.9686 6.9686 7.5918 7.5918 7.6317 7.6317 10.5296 10.5296 10.5305 10.5305 10.5732 10.5732 11.2311 11.2311 k = 0.4091 0.4091 0.4091 ( 4398 PWs) bands (ev): -32.5812 -32.5812 -32.5767 -32.5767 -32.5767 -32.5767 -13.9593 -13.9593 -13.9587 -13.9587 -13.9315 -13.9315 -13.6945 -13.6945 -13.5829 -13.5829 -13.5175 -13.5175 -13.5123 -13.5123 -13.2805 -13.2805 -13.2726 -13.2726 -4.2410 -4.2410 -4.2400 -4.2400 -3.5014 -3.5014 -2.0941 -2.0941 -2.0582 -2.0582 -2.0568 -2.0568 2.1460 2.1460 5.4898 5.4898 5.5659 5.5659 5.5723 5.5723 6.9588 6.9588 7.5946 7.5946 7.6267 7.6267 10.5011 10.5011 10.5039 10.5039 10.5448 10.5448 11.2489 11.2494 k = 0.4182 0.4182 0.4182 ( 4410 PWs) bands (ev): -32.5806 -32.5806 -32.5770 -32.5770 -32.5770 -32.5770 -13.9602 -13.9602 -13.9596 -13.9596 -13.9341 -13.9341 -13.6963 -13.6963 -13.5841 -13.5841 -13.5157 -13.5157 -13.5114 -13.5114 -13.2780 -13.2780 -13.2715 -13.2715 -4.2410 -4.2410 -4.2402 -4.2402 -3.4902 -3.4902 -2.0948 -2.0948 -2.0580 -2.0580 -2.0568 -2.0568 2.1514 2.1514 5.4869 5.4869 5.5517 5.5517 5.5570 5.5570 6.9497 6.9497 7.5972 7.5972 7.6226 7.6226 10.4743 10.4743 10.4781 10.4781 10.5179 10.5179 11.2657 11.2669 k = 0.4273 0.4273 0.4273 ( 4407 PWs) bands (ev): -32.5801 -32.5801 -32.5772 -32.5772 -32.5772 -32.5772 -13.9610 -13.9610 -13.9604 -13.9604 -13.9365 -13.9365 -13.6979 -13.6979 -13.5850 -13.5850 -13.5140 -13.5140 -13.5107 -13.5107 -13.2756 -13.2756 -13.2705 -13.2705 -4.2410 -4.2410 -4.2404 -4.2404 -3.4800 -3.4800 -2.0955 -2.0955 -2.0579 -2.0579 -2.0569 -2.0569 2.1558 2.1558 5.4854 5.4854 5.5390 5.5390 5.5432 5.5432 6.9413 6.9413 7.5996 7.5996 7.6192 7.6192 10.4496 10.4496 10.4537 10.4537 10.4929 10.4929 11.2818 11.2830 k = 0.4364 0.4364 0.4364 ( 4407 PWs) bands (ev): -32.5796 -32.5796 -32.5774 -32.5774 -32.5774 -32.5774 -13.9617 -13.9617 -13.9612 -13.9612 -13.9386 -13.9386 -13.6993 -13.6993 -13.5858 -13.5858 -13.5126 -13.5126 -13.5100 -13.5100 -13.2735 -13.2735 -13.2696 -13.2696 -4.2411 -4.2411 -4.2405 -4.2405 -3.4710 -3.4710 -2.0962 -2.0962 -2.0577 -2.0577 -2.0570 -2.0570 2.1594 2.1594 5.4850 5.4850 5.5277 5.5277 5.5310 5.5310 6.9338 6.9338 7.6019 7.6019 7.6164 7.6164 10.4272 10.4272 10.4312 10.4312 10.4701 10.4701 11.2948 11.2951 k = 0.4455 0.4455 0.4455 ( 4401 PWs) bands (ev): -32.5793 -32.5793 -32.5776 -32.5776 -32.5776 -32.5776 -13.9624 -13.9624 -13.9619 -13.9619 -13.9404 -13.9404 -13.7005 -13.7005 -13.5865 -13.5865 -13.5113 -13.5113 -13.5094 -13.5094 -13.2717 -13.2717 -13.2688 -13.2688 -4.2411 -4.2411 -4.2407 -4.2407 -3.4631 -3.4631 -2.0967 -2.0967 -2.0576 -2.0576 -2.0570 -2.0570 2.1623 2.1623 5.4855 5.4855 5.5180 5.5180 5.5204 5.5204 6.9272 6.9272 7.6038 7.6038 7.6143 7.6143 10.4076 10.4076 10.4109 10.4109 10.4498 10.4498 11.3068 11.3076 k = 0.4545 0.4545 0.4545 ( 4401 PWs) bands (ev): -32.5789 -32.5789 -32.5778 -32.5778 -32.5778 -32.5778 -13.9630 -13.9630 -13.9626 -13.9626 -13.9419 -13.9419 -13.7015 -13.7015 -13.5871 -13.5871 -13.5102 -13.5102 -13.5088 -13.5088 -13.2701 -13.2701 -13.2681 -13.2681 -4.2411 -4.2411 -4.2408 -4.2408 -3.4563 -3.4563 -2.0972 -2.0972 -2.0575 -2.0575 -2.0571 -2.0571 2.1646 2.1646 5.4865 5.4865 5.5097 5.5097 5.5114 5.5114 6.9214 6.9214 7.6055 7.6055 7.6126 7.6126 10.3907 10.3907 10.3933 10.3933 10.4323 10.4323 11.3171 11.3206 k = 0.4636 0.4636 0.4636 ( 4380 PWs) bands (ev): -32.5786 -32.5786 -32.5779 -32.5779 -32.5779 -32.5779 -13.9634 -13.9634 -13.9631 -13.9631 -13.9431 -13.9431 -13.7024 -13.7024 -13.5875 -13.5875 -13.5092 -13.5092 -13.5084 -13.5084 -13.2688 -13.2688 -13.2675 -13.2675 -4.2411 -4.2411 -4.2409 -4.2409 -3.4508 -3.4508 -2.0977 -2.0977 -2.0574 -2.0574 -2.0572 -2.0572 2.1663 2.1663 5.4877 5.4877 5.5029 5.5029 5.5040 5.5040 6.9166 6.9166 7.6069 7.6069 7.6113 7.6113 10.3768 10.3768 10.3786 10.3786 10.4177 10.4177 11.3255 11.3291 k = 0.4727 0.4727 0.4727 ( 4386 PWs) bands (ev): -32.5784 -32.5784 -32.5780 -32.5780 -32.5780 -32.5780 -13.9638 -13.9638 -13.9636 -13.9636 -13.9441 -13.9441 -13.7030 -13.7030 -13.5878 -13.5878 -13.5085 -13.5085 -13.5081 -13.5081 -13.2678 -13.2678 -13.2670 -13.2670 -4.2411 -4.2411 -4.2410 -4.2410 -3.4464 -3.4464 -2.0980 -2.0980 -2.0574 -2.0574 -2.0572 -2.0572 2.1676 2.1676 5.4890 5.4890 5.4976 5.4976 5.4983 5.4983 6.9129 6.9129 7.6080 7.6080 7.6104 7.6104 10.3659 10.3659 10.3669 10.3669 10.4061 10.4061 11.3325 11.3348 k = 0.4818 0.4818 0.4818 ( 4416 PWs) bands (ev): -32.5783 -32.5783 -32.5781 -32.5781 -32.5781 -32.5781 -13.9641 -13.9641 -13.9640 -13.9640 -13.9448 -13.9448 -13.7036 -13.7036 -13.5881 -13.5881 -13.5081 -13.5081 -13.5079 -13.5079 -13.2671 -13.2671 -13.2668 -13.2668 -4.2412 -4.2412 -4.2411 -4.2411 -3.4433 -3.4433 -2.0982 -2.0982 -2.0573 -2.0573 -2.0573 -2.0573 2.1685 2.1685 5.4899 5.4899 5.4938 5.4938 5.4941 5.4941 6.9102 6.9102 7.6087 7.6087 7.6098 7.6098 10.3580 10.3580 10.3585 10.3585 10.3977 10.3977 11.3364 11.3372 k = 0.4909 0.4909 0.4909 ( 4416 PWs) bands (ev): -32.5782 -32.5782 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9642 -13.9642 -13.9452 -13.9452 -13.7039 -13.7039 -13.5882 -13.5882 -13.5078 -13.5078 -13.5077 -13.5077 -13.2667 -13.2667 -13.2666 -13.2666 -4.2412 -4.2412 -4.2412 -4.2412 -3.4415 -3.4415 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1690 2.1690 5.4906 5.4906 5.4915 5.4915 5.4917 5.4917 6.9085 6.9085 7.6092 7.6092 7.6095 7.6095 10.3533 10.3533 10.3534 10.3534 10.3927 10.3927 11.3397 11.3406 k = 0.5000 0.5000 0.5000 ( 4416 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9643 -13.9643 -13.9454 -13.9454 -13.7040 -13.7040 -13.5883 -13.5883 -13.5077 -13.5077 -13.5077 -13.5077 -13.2665 -13.2665 -13.2665 -13.2665 -4.2412 -4.2412 -4.2412 -4.2412 -3.4408 -3.4408 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1691 2.1691 5.4908 5.4908 5.4908 5.4908 5.4908 5.4908 6.9080 6.9080 7.6093 7.6093 7.6093 7.6093 10.3517 10.3517 10.3517 10.3517 10.3910 10.3910 11.3403 11.3416 k = 0.5000 0.5000 0.5000 ( 4416 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9643 -13.9643 -13.9454 -13.9454 -13.7040 -13.7040 -13.5883 -13.5883 -13.5077 -13.5077 -13.5077 -13.5077 -13.2665 -13.2665 -13.2665 -13.2665 -4.2412 -4.2412 -4.2412 -4.2412 -3.4408 -3.4408 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1691 2.1691 5.4908 5.4908 5.4908 5.4908 5.4908 5.4908 6.9080 6.9080 7.6093 7.6093 7.6093 7.6093 10.3517 10.3517 10.3517 10.3517 10.3910 10.3910 11.3404 11.3431 k = 0.4889 0.5000 0.4889 ( 4416 PWs) bands (ev): -32.5782 -32.5782 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9642 -13.9642 -13.9452 -13.9452 -13.7039 -13.7039 -13.5882 -13.5882 -13.5078 -13.5078 -13.5077 -13.5077 -13.2667 -13.2667 -13.2666 -13.2666 -4.2412 -4.2412 -4.2412 -4.2412 -3.4415 -3.4415 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1690 2.1690 5.4903 5.4903 5.4913 5.4913 5.4922 5.4922 6.9085 6.9085 7.6088 7.6088 7.6098 7.6098 10.3531 10.3531 10.3535 10.3535 10.3927 10.3927 11.3401 11.3405 k = 0.4778 0.5000 0.4778 ( 4416 PWs) bands (ev): -32.5782 -32.5782 -32.5781 -32.5781 -32.5781 -32.5781 -13.9641 -13.9641 -13.9640 -13.9640 -13.9448 -13.9448 -13.7036 -13.7036 -13.5881 -13.5881 -13.5081 -13.5081 -13.5079 -13.5079 -13.2672 -13.2672 -13.2667 -13.2667 -4.2412 -4.2412 -4.2411 -4.2411 -3.4433 -3.4433 -2.0982 -2.0982 -2.0574 -2.0574 -2.0573 -2.0573 2.1685 2.1685 5.4887 5.4887 5.4926 5.4926 5.4965 5.4965 6.9101 6.9101 7.6074 7.6074 7.6112 7.6112 10.3574 10.3574 10.3590 10.3590 10.3977 10.3977 11.3371 11.3385 k = 0.4667 0.5000 0.4667 ( 4394 PWs) bands (ev): -32.5783 -32.5783 -32.5781 -32.5781 -32.5779 -32.5779 -13.9639 -13.9639 -13.9635 -13.9635 -13.9441 -13.9441 -13.7031 -13.7031 -13.5878 -13.5878 -13.5086 -13.5086 -13.5080 -13.5080 -13.2679 -13.2679 -13.2669 -13.2669 -4.2411 -4.2411 -4.2410 -4.2410 -3.4464 -3.4464 -2.0980 -2.0980 -2.0574 -2.0574 -2.0572 -2.0572 2.1676 2.1676 5.4862 5.4862 5.4949 5.4949 5.5036 5.5036 6.9128 6.9128 7.6050 7.6050 7.6135 7.6135 10.3645 10.3645 10.3680 10.3680 10.4062 10.4062 11.3324 11.3351 k = 0.4556 0.5000 0.4556 ( 4382 PWs) bands (ev): -32.5785 -32.5785 -32.5781 -32.5781 -32.5778 -32.5778 -13.9636 -13.9636 -13.9630 -13.9630 -13.9431 -13.9431 -13.7024 -13.7024 -13.5875 -13.5875 -13.5093 -13.5093 -13.5083 -13.5083 -13.2691 -13.2691 -13.2672 -13.2672 -4.2411 -4.2411 -4.2410 -4.2410 -3.4507 -3.4507 -2.0977 -2.0977 -2.0575 -2.0575 -2.0571 -2.0571 2.1664 2.1664 5.4829 5.4829 5.4980 5.4980 5.5134 5.5134 6.9165 6.9165 7.6017 7.6017 7.6167 7.6167 10.3743 10.3743 10.3801 10.3801 10.4181 10.4181 11.3256 11.3280 k = 0.4444 0.5000 0.4444 ( 4388 PWs) bands (ev): -32.5787 -32.5787 -32.5781 -32.5781 -32.5776 -32.5776 -13.9632 -13.9632 -13.9623 -13.9623 -13.9419 -13.9419 -13.7015 -13.7015 -13.5870 -13.5870 -13.5103 -13.5103 -13.5087 -13.5087 -13.2706 -13.2706 -13.2676 -13.2676 -4.2411 -4.2411 -4.2409 -4.2409 -3.4562 -3.4562 -2.0972 -2.0972 -2.0576 -2.0576 -2.0570 -2.0570 2.1647 2.1647 5.4789 5.4789 5.5020 5.5020 5.5260 5.5260 6.9212 6.9212 7.5976 7.5976 7.6210 7.6210 10.3867 10.3867 10.3952 10.3952 10.4335 10.4335 11.3181 11.3196 k = 0.4333 0.5000 0.4333 ( 4394 PWs) bands (ev): -32.5790 -32.5790 -32.5781 -32.5781 -32.5773 -32.5773 -13.9627 -13.9627 -13.9615 -13.9615 -13.9405 -13.9405 -13.7005 -13.7005 -13.5865 -13.5865 -13.5114 -13.5114 -13.5091 -13.5091 -13.2723 -13.2723 -13.2681 -13.2681 -4.2411 -4.2411 -4.2407 -4.2407 -3.4628 -3.4628 -2.0967 -2.0967 -2.0578 -2.0578 -2.0569 -2.0569 2.1626 2.1626 5.4744 5.4744 5.5069 5.5069 5.5414 5.5414 6.9268 6.9268 7.5928 7.5928 7.6263 7.6263 10.4015 10.4015 10.4128 10.4128 10.4523 10.4523 11.3074 11.3107 k = 0.4222 0.5000 0.4222 ( 4406 PWs) bands (ev): -32.5793 -32.5793 -32.5782 -32.5782 -32.5771 -32.5771 -13.9622 -13.9622 -13.9606 -13.9606 -13.9387 -13.9387 -13.6993 -13.6993 -13.5859 -13.5859 -13.5127 -13.5127 -13.5097 -13.5097 -13.2744 -13.2744 -13.2687 -13.2687 -4.2410 -4.2410 -4.2406 -4.2406 -3.4706 -3.4706 -2.0962 -2.0962 -2.0580 -2.0580 -2.0567 -2.0567 2.1600 2.1600 5.4697 5.4697 5.5126 5.5126 5.5594 5.5594 6.9331 6.9331 7.5874 7.5874 7.6327 7.6327 10.4187 10.4187 10.4328 10.4328 10.4743 10.4743 11.2950 11.2970 k = 0.4111 0.5000 0.4111 ( 4410 PWs) bands (ev): -32.5796 -32.5796 -32.5782 -32.5782 -32.5768 -32.5768 -13.9616 -13.9616 -13.9597 -13.9597 -13.9367 -13.9367 -13.6979 -13.6979 -13.5851 -13.5851 -13.5143 -13.5143 -13.5103 -13.5103 -13.2768 -13.2768 -13.2694 -13.2694 -4.2410 -4.2410 -4.2404 -4.2404 -3.4795 -3.4795 -2.0955 -2.0955 -2.0582 -2.0582 -2.0566 -2.0566 2.1567 2.1567 5.4650 5.4650 5.5191 5.5191 5.5800 5.5800 6.9401 6.9401 7.5816 7.5816 7.6403 7.6403 10.4379 10.4379 10.4550 10.4550 10.4994 10.4994 11.2817 11.2853 k = 0.4000 0.5000 0.4000 ( 4414 PWs) bands (ev): -32.5800 -32.5800 -32.5782 -32.5782 -32.5764 -32.5764 -13.9609 -13.9609 -13.9586 -13.9586 -13.9345 -13.9345 -13.6963 -13.6963 -13.5842 -13.5842 -13.5160 -13.5160 -13.5110 -13.5110 -13.2793 -13.2793 -13.2702 -13.2702 -4.2410 -4.2410 -4.2403 -4.2403 -3.4893 -3.4893 -2.0948 -2.0948 -2.0584 -2.0584 -2.0564 -2.0564 2.1529 2.1529 5.4606 5.4606 5.5263 5.5263 5.6031 5.6031 6.9476 6.9476 7.5756 7.5756 7.6491 7.6491 10.4587 10.4587 10.4795 10.4795 10.5271 10.5271 11.2671 11.2697 k = 0.3889 0.5000 0.3889 ( 4406 PWs) bands (ev): -32.5804 -32.5804 -32.5782 -32.5782 -32.5760 -32.5760 -13.9601 -13.9601 -13.9575 -13.9575 -13.9320 -13.9320 -13.6946 -13.6946 -13.5831 -13.5831 -13.5178 -13.5178 -13.5118 -13.5118 -13.2821 -13.2821 -13.2710 -13.2710 -4.2409 -4.2409 -4.2401 -4.2401 -3.5002 -3.5002 -2.0941 -2.0941 -2.0587 -2.0587 -2.0562 -2.0562 2.1483 2.1483 5.4569 5.4569 5.5344 5.5344 5.6287 5.6287 6.9555 6.9555 7.5694 7.5694 7.6591 7.6591 10.4808 10.4808 10.5063 10.5063 10.5569 10.5569 11.2498 11.2516 k = 0.3778 0.5000 0.3778 ( 4410 PWs) bands (ev): -32.5808 -32.5808 -32.5782 -32.5782 -32.5756 -32.5756 -13.9593 -13.9593 -13.9564 -13.9564 -13.9293 -13.9293 -13.6926 -13.6926 -13.5819 -13.5819 -13.5198 -13.5198 -13.5126 -13.5126 -13.2852 -13.2852 -13.2720 -13.2720 -4.2409 -4.2409 -4.2399 -4.2399 -3.5120 -3.5120 -2.0933 -2.0933 -2.0590 -2.0590 -2.0561 -2.0561 2.1430 2.1430 5.4539 5.4539 5.5432 5.5432 5.6567 5.6567 6.9635 6.9635 7.5634 7.5634 7.6705 7.6705 10.5037 10.5037 10.5354 10.5354 10.5885 10.5885 11.2280 11.2280 k = 0.3667 0.5000 0.3667 ( 4414 PWs) bands (ev): -32.5813 -32.5813 -32.5782 -32.5782 -32.5751 -32.5751 -13.9584 -13.9584 -13.9552 -13.9552 -13.9265 -13.9265 -13.6906 -13.6906 -13.5806 -13.5806 -13.5220 -13.5220 -13.5136 -13.5136 -13.2884 -13.2884 -13.2730 -13.2730 -4.2408 -4.2408 -4.2397 -4.2397 -3.5246 -3.5246 -2.0924 -2.0924 -2.0593 -2.0593 -2.0559 -2.0559 2.1368 2.1368 5.4522 5.4522 5.5526 5.5526 5.6869 5.6869 6.9716 6.9716 7.5577 7.5577 7.6832 7.6832 10.5269 10.5269 10.5667 10.5667 10.6214 10.6214 11.2033 11.2036 k = 0.3556 0.5000 0.3556 ( 4430 PWs) bands (ev): -32.5818 -32.5818 -32.5782 -32.5782 -32.5746 -32.5746 -13.9575 -13.9575 -13.9540 -13.9540 -13.9236 -13.9236 -13.6884 -13.6884 -13.5791 -13.5791 -13.5243 -13.5243 -13.5146 -13.5146 -13.2918 -13.2918 -13.2742 -13.2742 -4.2408 -4.2408 -4.2395 -4.2395 -3.5380 -3.5380 -2.0916 -2.0916 -2.0597 -2.0597 -2.0557 -2.0557 2.1297 2.1297 5.4518 5.4518 5.5627 5.5627 5.7193 5.7193 6.9794 6.9794 7.5527 7.5527 7.6974 7.6974 10.5499 10.5499 10.6003 10.6003 10.6552 10.6552 11.1757 11.1758 k = 0.3444 0.5000 0.3444 ( 4426 PWs) bands (ev): -32.5824 -32.5824 -32.5782 -32.5782 -32.5741 -32.5741 -13.9566 -13.9566 -13.9527 -13.9527 -13.9206 -13.9206 -13.6860 -13.6860 -13.5774 -13.5774 -13.5266 -13.5266 -13.5157 -13.5157 -13.2954 -13.2954 -13.2753 -13.2753 -4.2408 -4.2408 -4.2393 -4.2393 -3.5522 -3.5522 -2.0907 -2.0907 -2.0601 -2.0601 -2.0555 -2.0555 2.1218 2.1218 5.4531 5.4531 5.5734 5.5734 5.7537 5.7537 6.9868 6.9868 7.5486 7.5486 7.7129 7.7129 10.5721 10.5721 10.6361 10.6361 10.6897 10.6897 11.1453 11.1453 k = 0.3333 0.5000 0.3333 ( 4418 PWs) bands (ev): -32.5830 -32.5830 -32.5782 -32.5782 -32.5736 -32.5736 -13.9556 -13.9556 -13.9513 -13.9513 -13.9175 -13.9175 -13.6835 -13.6835 -13.5756 -13.5756 -13.5290 -13.5290 -13.5168 -13.5168 -13.2990 -13.2990 -13.2766 -13.2766 -4.2407 -4.2407 -4.2391 -4.2391 -3.5670 -3.5670 -2.0898 -2.0898 -2.0605 -2.0605 -2.0554 -2.0554 2.1128 2.1128 5.4563 5.4563 5.5846 5.5846 5.7900 5.7900 6.9934 6.9934 7.5457 7.5457 7.7300 7.7300 10.5928 10.5928 10.6739 10.6739 10.7244 10.7244 11.1121 11.1121 k = 0.3222 0.5000 0.3222 ( 4426 PWs) bands (ev): -32.5835 -32.5835 -32.5782 -32.5782 -32.5730 -32.5730 -13.9546 -13.9546 -13.9499 -13.9499 -13.9144 -13.9144 -13.6808 -13.6808 -13.5736 -13.5736 -13.5313 -13.5313 -13.5180 -13.5180 -13.3028 -13.3028 -13.2779 -13.2779 -4.2407 -4.2407 -4.2389 -4.2389 -3.5824 -3.5824 -2.0889 -2.0889 -2.0609 -2.0609 -2.0553 -2.0553 2.1029 2.1029 5.4616 5.4616 5.5964 5.5964 5.8281 5.8281 6.9990 6.9990 7.5444 7.5444 7.7485 7.7485 10.6116 10.6116 10.7135 10.7135 10.7593 10.7593 11.0762 11.0762 k = 0.3111 0.5000 0.3111 ( 4426 PWs) bands (ev): -32.5841 -32.5841 -32.5783 -32.5783 -32.5725 -32.5725 -13.9536 -13.9536 -13.9485 -13.9485 -13.9113 -13.9113 -13.6781 -13.6781 -13.5716 -13.5716 -13.5336 -13.5336 -13.5193 -13.5193 -13.3067 -13.3067 -13.2793 -13.2793 -4.2407 -4.2407 -4.2388 -4.2388 -3.5982 -3.5982 -2.0879 -2.0879 -2.0614 -2.0614 -2.0552 -2.0552 2.0921 2.0921 5.4690 5.4690 5.6087 5.6087 5.8679 5.8679 7.0033 7.0033 7.5448 7.5448 7.7685 7.7685 10.6274 10.6274 10.7547 10.7547 10.7942 10.7942 11.0377 11.0377 k = 0.3000 0.5000 0.3000 ( 4426 PWs) bands (ev): -32.5848 -32.5848 -32.5783 -32.5783 -32.5719 -32.5719 -13.9526 -13.9526 -13.9470 -13.9470 -13.9082 -13.9082 -13.6753 -13.6753 -13.5696 -13.5696 -13.5357 -13.5357 -13.5206 -13.5206 -13.3106 -13.3106 -13.2808 -13.2808 -4.2407 -4.2407 -4.2386 -4.2386 -3.6145 -3.6145 -2.0870 -2.0870 -2.0620 -2.0620 -2.0551 -2.0551 2.0802 2.0802 5.4787 5.4787 5.6215 5.6215 5.9091 5.9091 7.0062 7.0062 7.5474 7.5474 7.7900 7.7900 10.6398 10.6398 10.7969 10.7969 10.8294 10.8294 10.9968 10.9968 k = 0.2889 0.5000 0.2889 ( 4418 PWs) bands (ev): -32.5854 -32.5854 -32.5783 -32.5783 -32.5712 -32.5712 -13.9517 -13.9517 -13.9455 -13.9455 -13.9052 -13.9052 -13.6723 -13.6723 -13.5678 -13.5678 -13.5374 -13.5374 -13.5219 -13.5219 -13.3146 -13.3146 -13.2823 -13.2823 -4.2407 -4.2407 -4.2385 -4.2385 -3.6311 -3.6311 -2.0861 -2.0861 -2.0625 -2.0625 -2.0550 -2.0550 2.0675 2.0675 5.4908 5.4908 5.6346 5.6346 5.9516 5.9516 7.0074 7.0074 7.5522 7.5522 7.8130 7.8130 10.6481 10.6481 10.8392 10.8392 10.8654 10.8654 10.9538 10.9538 k = 0.2778 0.5000 0.2778 ( 4414 PWs) bands (ev): -32.5861 -32.5861 -32.5783 -32.5783 -32.5706 -32.5706 -13.9508 -13.9508 -13.9439 -13.9439 -13.9024 -13.9024 -13.6693 -13.6693 -13.5664 -13.5664 -13.5386 -13.5386 -13.5232 -13.5232 -13.3185 -13.3185 -13.2839 -13.2839 -4.2407 -4.2407 -4.2383 -4.2383 -3.6480 -3.6480 -2.0853 -2.0853 -2.0631 -2.0631 -2.0550 -2.0550 2.0539 2.0539 5.5052 5.5052 5.6481 5.6481 5.9953 5.9953 7.0069 7.0069 7.5596 7.5596 7.8374 7.8374 10.6517 10.6517 10.8779 10.8779 10.9031 10.9031 10.9117 10.9117 k = 0.2667 0.5000 0.2667 ( 4418 PWs) bands (ev): -32.5867 -32.5867 -32.5783 -32.5783 -32.5700 -32.5700 -13.9499 -13.9499 -13.9422 -13.9422 -13.8996 -13.8996 -13.6663 -13.6663 -13.5657 -13.5657 -13.5390 -13.5390 -13.5245 -13.5245 -13.3225 -13.3225 -13.2856 -13.2856 -4.2408 -4.2408 -4.2382 -4.2382 -3.6650 -3.6650 -2.0844 -2.0844 -2.0637 -2.0637 -2.0550 -2.0550 2.0395 2.0395 5.5219 5.5219 5.6620 5.6620 6.0399 6.0399 7.0046 7.0046 7.5694 7.5694 7.8633 7.8633 10.6504 10.6504 10.8591 10.8591 10.9185 10.9185 10.9481 10.9481 k = 0.2556 0.5000 0.2556 ( 4422 PWs) bands (ev): -32.5874 -32.5874 -32.5783 -32.5783 -32.5694 -32.5694 -13.9491 -13.9491 -13.9406 -13.9406 -13.8971 -13.8971 -13.6632 -13.6632 -13.5657 -13.5657 -13.5384 -13.5384 -13.5256 -13.5256 -13.3265 -13.3265 -13.2873 -13.2873 -4.2408 -4.2408 -4.2380 -4.2380 -3.6822 -3.6822 -2.0836 -2.0836 -2.0644 -2.0644 -2.0550 -2.0550 2.0244 2.0244 5.5407 5.5407 5.6763 5.6763 6.0853 6.0853 7.0005 7.0005 7.5818 7.5818 7.8906 7.8906 10.6441 10.6441 10.8111 10.8111 10.9515 10.9515 10.9951 10.9951 k = 0.2444 0.5000 0.2444 ( 4416 PWs) bands (ev): -32.5880 -32.5880 -32.5783 -32.5783 -32.5687 -32.5687 -13.9484 -13.9484 -13.9388 -13.9388 -13.8946 -13.8946 -13.6601 -13.6601 -13.5666 -13.5666 -13.5373 -13.5373 -13.5262 -13.5262 -13.3305 -13.3305 -13.2890 -13.2890 -4.2409 -4.2409 -4.2379 -4.2379 -3.6993 -3.6993 -2.0828 -2.0828 -2.0651 -2.0651 -2.0551 -2.0551 2.0086 2.0086 5.5615 5.5615 5.6909 5.6909 6.1313 6.1313 6.9948 6.9948 7.5968 7.5968 7.9192 7.9192 10.6330 10.6330 10.7612 10.7612 10.9834 10.9834 11.0441 11.0441 k = 0.2333 0.5000 0.2333 ( 4412 PWs) bands (ev): -32.5887 -32.5887 -32.5783 -32.5783 -32.5681 -32.5681 -13.9477 -13.9477 -13.9370 -13.9370 -13.8924 -13.8924 -13.6570 -13.6570 -13.5682 -13.5682 -13.5363 -13.5363 -13.5258 -13.5258 -13.3344 -13.3344 -13.2908 -13.2908 -4.2410 -4.2410 -4.2378 -4.2378 -3.7164 -3.7164 -2.0820 -2.0820 -2.0658 -2.0658 -2.0552 -2.0552 1.9924 1.9924 5.5840 5.5840 5.7060 5.7060 6.1777 6.1777 6.9876 6.9876 7.6141 7.6141 7.9492 7.9492 10.6176 10.6176 10.7101 10.7101 11.0142 11.0142 11.0700 11.0704 k = 0.2222 0.5000 0.2222 ( 4408 PWs) bands (ev): -32.5894 -32.5894 -32.5783 -32.5783 -32.5674 -32.5674 -13.9472 -13.9472 -13.9352 -13.9352 -13.8904 -13.8904 -13.6538 -13.6538 -13.5702 -13.5702 -13.5363 -13.5363 -13.5237 -13.5237 -13.3383 -13.3383 -13.2926 -13.2926 -4.2411 -4.2411 -4.2377 -4.2377 -3.7333 -3.7333 -2.0813 -2.0813 -2.0665 -2.0665 -2.0554 -2.0554 1.9757 1.9757 5.6078 5.6078 5.7216 5.7216 6.2242 6.2242 6.9792 6.9792 7.6336 7.6336 7.9803 7.9803 10.5984 10.5984 10.6581 10.6581 11.0436 11.0436 11.0664 11.0664 k = 0.2111 0.5000 0.2111 ( 4400 PWs) bands (ev): -32.5900 -32.5900 -32.5783 -32.5783 -32.5668 -32.5668 -13.9467 -13.9467 -13.9333 -13.9333 -13.8885 -13.8885 -13.6507 -13.6507 -13.5724 -13.5724 -13.5372 -13.5372 -13.5201 -13.5201 -13.3421 -13.3421 -13.2944 -13.2944 -4.2412 -4.2412 -4.2376 -4.2376 -3.7500 -3.7500 -2.0806 -2.0806 -2.0672 -2.0672 -2.0555 -2.0555 1.9588 1.9588 5.6325 5.6325 5.7379 5.7379 6.2706 6.2706 6.9697 6.9697 7.6551 7.6551 8.0126 8.0126 10.5759 10.5759 10.6056 10.6056 11.0578 11.0578 11.0775 11.0775 k = 0.2000 0.5000 0.2000 ( 4400 PWs) bands (ev): -32.5907 -32.5907 -32.5783 -32.5783 -32.5662 -32.5662 -13.9463 -13.9463 -13.9314 -13.9314 -13.8869 -13.8869 -13.6476 -13.6476 -13.5748 -13.5748 -13.5386 -13.5386 -13.5157 -13.5157 -13.3459 -13.3459 -13.2963 -13.2963 -4.2414 -4.2414 -4.2375 -4.2375 -3.7663 -3.7663 -2.0799 -2.0799 -2.0679 -2.0679 -2.0557 -2.0557 1.9418 1.9418 5.6573 5.6573 5.7553 5.7553 6.3168 6.3168 6.9594 6.9594 7.6783 7.6783 8.0459 8.0459 10.5508 10.5508 10.5526 10.5526 11.0545 11.0545 11.1058 11.1058 k = 0.1889 0.5000 0.1889 ( 4400 PWs) bands (ev): -32.5913 -32.5913 -32.5784 -32.5784 -32.5656 -32.5656 -13.9460 -13.9460 -13.9295 -13.9295 -13.8854 -13.8854 -13.6445 -13.6445 -13.5773 -13.5773 -13.5403 -13.5403 -13.5106 -13.5106 -13.3496 -13.3496 -13.2982 -13.2982 -4.2415 -4.2415 -4.2374 -4.2374 -3.7823 -3.7823 -2.0793 -2.0793 -2.0687 -2.0687 -2.0559 -2.0559 1.9247 1.9247 5.6816 5.6816 5.7741 5.7741 6.3624 6.3624 6.9485 6.9485 7.7031 7.7031 8.0801 8.0801 10.4996 10.4996 10.5237 10.5237 11.0499 11.0499 11.1350 11.1350 k = 0.1778 0.5000 0.1778 ( 4386 PWs) bands (ev): -32.5919 -32.5919 -32.5784 -32.5784 -32.5650 -32.5650 -13.9458 -13.9458 -13.9276 -13.9276 -13.8841 -13.8841 -13.6414 -13.6414 -13.5797 -13.5797 -13.5422 -13.5422 -13.5052 -13.5052 -13.3532 -13.3532 -13.3000 -13.3000 -4.2417 -4.2417 -4.2373 -4.2373 -3.7978 -3.7978 -2.0787 -2.0787 -2.0694 -2.0694 -2.0562 -2.0562 1.9078 1.9078 5.7045 5.7045 5.7948 5.7948 6.4072 6.4072 6.9374 6.9374 7.7291 7.7291 8.1151 8.1151 10.4468 10.4468 10.4951 10.4951 11.0451 11.0451 11.1644 11.1644 k = 0.1667 0.5000 0.1667 ( 4374 PWs) bands (ev): -32.5925 -32.5925 -32.5784 -32.5784 -32.5644 -32.5644 -13.9456 -13.9456 -13.9256 -13.9256 -13.8831 -13.8831 -13.6384 -13.6384 -13.5820 -13.5820 -13.5442 -13.5442 -13.4995 -13.4995 -13.3569 -13.3569 -13.3019 -13.3019 -4.2419 -4.2419 -4.2372 -4.2372 -3.8127 -3.8127 -2.0782 -2.0782 -2.0702 -2.0702 -2.0564 -2.0564 1.8912 1.8912 5.7254 5.7254 5.8178 5.8178 6.4510 6.4510 6.9260 6.9260 7.7561 7.7561 8.1507 8.1507 10.3944 10.3944 10.4658 10.4658 11.0399 11.0399 11.1938 11.1938 k = 0.1556 0.5000 0.1556 ( 4378 PWs) bands (ev): -32.5930 -32.5930 -32.5784 -32.5784 -32.5639 -32.5639 -13.9456 -13.9456 -13.9237 -13.9237 -13.8822 -13.8822 -13.6355 -13.6355 -13.5842 -13.5842 -13.5464 -13.5464 -13.4936 -13.4936 -13.3605 -13.3605 -13.3037 -13.3037 -4.2421 -4.2421 -4.2371 -4.2371 -3.8271 -3.8271 -2.0777 -2.0777 -2.0709 -2.0709 -2.0567 -2.0567 1.8750 1.8750 5.7438 5.7438 5.8428 5.8428 6.4935 6.4935 6.9148 6.9148 7.7839 7.7839 8.1866 8.1866 10.3428 10.3428 10.4360 10.4360 11.0345 11.0345 11.2233 11.2233 k = 0.1444 0.5000 0.1444 ( 4390 PWs) bands (ev): -32.5936 -32.5936 -32.5784 -32.5784 -32.5634 -32.5634 -13.9457 -13.9457 -13.9219 -13.9219 -13.8815 -13.8815 -13.6326 -13.6326 -13.5862 -13.5862 -13.5486 -13.5486 -13.4876 -13.4876 -13.3641 -13.3641 -13.3056 -13.3056 -4.2423 -4.2423 -4.2370 -4.2370 -3.8408 -3.8408 -2.0773 -2.0773 -2.0716 -2.0716 -2.0570 -2.0570 1.8593 1.8593 5.7599 5.7599 5.8694 5.8694 6.5345 6.5345 6.9037 6.9037 7.8121 7.8121 8.2227 8.2227 10.2921 10.2921 10.4062 10.4062 11.0290 11.0290 11.2530 11.2530 k = 0.1333 0.5000 0.1333 ( 4376 PWs) bands (ev): -32.5941 -32.5941 -32.5784 -32.5784 -32.5629 -32.5629 -13.9457 -13.9457 -13.9200 -13.9200 -13.8810 -13.8810 -13.6299 -13.6299 -13.5880 -13.5880 -13.5508 -13.5508 -13.4815 -13.4815 -13.3676 -13.3676 -13.3073 -13.3073 -4.2426 -4.2426 -4.2369 -4.2369 -3.8537 -3.8537 -2.0769 -2.0769 -2.0723 -2.0723 -2.0572 -2.0572 1.8442 1.8442 5.7739 5.7739 5.8969 5.8969 6.5737 6.5737 6.8931 6.8931 7.8404 7.8404 8.2588 8.2588 10.2429 10.2429 10.3770 10.3770 11.0236 11.0236 11.2826 11.2826 k = 0.1222 0.5000 0.1222 ( 4380 PWs) bands (ev): -32.5946 -32.5946 -32.5784 -32.5784 -32.5624 -32.5624 -13.9459 -13.9459 -13.9182 -13.9182 -13.8806 -13.8806 -13.6273 -13.6273 -13.5895 -13.5895 -13.5532 -13.5532 -13.4754 -13.4754 -13.3711 -13.3711 -13.3091 -13.3091 -4.2428 -4.2428 -4.2368 -4.2368 -3.8658 -3.8658 -2.0766 -2.0766 -2.0729 -2.0729 -2.0575 -2.0575 1.8299 1.8299 5.7863 5.7863 5.9245 5.9245 6.6109 6.6109 6.8830 6.8830 7.8685 7.8685 8.2944 8.2944 10.1952 10.1952 10.3487 10.3487 11.0181 11.0181 11.3114 11.3114 k = 0.1111 0.5000 0.1111 ( 4394 PWs) bands (ev): -32.5950 -32.5950 -32.5784 -32.5784 -32.5620 -32.5620 -13.9461 -13.9461 -13.9164 -13.9164 -13.8804 -13.8804 -13.6249 -13.6249 -13.5908 -13.5908 -13.5556 -13.5556 -13.4693 -13.4693 -13.3746 -13.3746 -13.3107 -13.3107 -4.2430 -4.2430 -4.2367 -4.2367 -3.8771 -3.8771 -2.0764 -2.0764 -2.0735 -2.0735 -2.0578 -2.0578 1.8165 1.8165 5.7972 5.7972 5.9516 5.9516 6.6458 6.6458 6.8735 6.8735 7.8961 7.8961 8.3293 8.3293 10.1496 10.1496 10.3216 10.3216 11.0128 11.0128 11.3365 11.3365 k = 0.1000 0.5000 0.1000 ( 4386 PWs) bands (ev): -32.5954 -32.5954 -32.5784 -32.5784 -32.5616 -32.5616 -13.9463 -13.9463 -13.9147 -13.9147 -13.8802 -13.8802 -13.6227 -13.6227 -13.5917 -13.5917 -13.5580 -13.5580 -13.4633 -13.4633 -13.3782 -13.3782 -13.3123 -13.3123 -4.2432 -4.2432 -4.2366 -4.2366 -3.8875 -3.8875 -2.0763 -2.0763 -2.0739 -2.0739 -2.0580 -2.0580 1.8041 1.8041 5.8069 5.8069 5.9777 5.9777 6.6783 6.6783 6.8647 6.8647 7.9228 7.9228 8.3631 8.3631 10.1064 10.1064 10.2963 10.2963 11.0078 11.0078 11.3460 11.3460 k = 0.0889 0.5000 0.0889 ( 4394 PWs) bands (ev): -32.5958 -32.5958 -32.5784 -32.5784 -32.5613 -32.5613 -13.9466 -13.9466 -13.9131 -13.9131 -13.8802 -13.8802 -13.6208 -13.6208 -13.5921 -13.5921 -13.5605 -13.5605 -13.4573 -13.4573 -13.3818 -13.3818 -13.3137 -13.3137 -4.2434 -4.2434 -4.2365 -4.2365 -3.8970 -3.8970 -2.0763 -2.0763 -2.0742 -2.0742 -2.0582 -2.0582 1.7927 1.7927 5.8153 5.8153 6.0022 6.0022 6.7080 6.7080 6.8568 6.8568 7.9482 7.9482 8.3953 8.3953 10.0659 10.0659 10.2727 10.2727 11.0031 11.0031 11.3271 11.3271 k = 0.0778 0.5000 0.0778 ( 4394 PWs) bands (ev): -32.5961 -32.5961 -32.5784 -32.5784 -32.5610 -32.5610 -13.9469 -13.9469 -13.9116 -13.9116 -13.8803 -13.8803 -13.6192 -13.6192 -13.5921 -13.5921 -13.5630 -13.5630 -13.4514 -13.4514 -13.3854 -13.3854 -13.3151 -13.3151 -4.2435 -4.2435 -4.2364 -4.2364 -3.9054 -3.9054 -2.0765 -2.0765 -2.0743 -2.0743 -2.0584 -2.0584 1.7825 1.7825 5.8227 5.8227 6.0248 6.0248 6.7348 6.7348 6.8497 6.8497 7.9720 7.9720 8.4254 8.4254 10.0287 10.0287 10.2514 10.2514 10.9988 10.9988 11.2969 11.2969 k = 0.0667 0.5000 0.0667 ( 4402 PWs) bands (ev): -32.5964 -32.5964 -32.5784 -32.5784 -32.5607 -32.5607 -13.9471 -13.9471 -13.9102 -13.9102 -13.8804 -13.8804 -13.6179 -13.6179 -13.5916 -13.5916 -13.5656 -13.5656 -13.4457 -13.4457 -13.3891 -13.3891 -13.3163 -13.3163 -4.2437 -4.2437 -4.2364 -4.2364 -3.9128 -3.9128 -2.0768 -2.0768 -2.0743 -2.0743 -2.0586 -2.0586 1.7735 1.7735 5.8290 5.8290 6.0450 6.0450 6.7584 6.7584 6.8434 6.8434 7.9936 7.9936 8.4531 8.4531 9.9952 9.9952 10.2324 10.2324 10.9949 10.9949 11.2663 11.2663 k = 0.0556 0.5000 0.0556 ( 4410 PWs) bands (ev): -32.5967 -32.5967 -32.5785 -32.5785 -32.5604 -32.5604 -13.9474 -13.9474 -13.9090 -13.9090 -13.8806 -13.8806 -13.6170 -13.6170 -13.5906 -13.5906 -13.5682 -13.5682 -13.4402 -13.4402 -13.3929 -13.3929 -13.3174 -13.3174 -4.2438 -4.2438 -4.2363 -4.2363 -3.9191 -3.9191 -2.0771 -2.0771 -2.0743 -2.0743 -2.0587 -2.0587 1.7658 1.7658 5.8344 5.8344 6.0627 6.0627 6.7787 6.7787 6.8382 6.8382 8.0128 8.0128 8.4776 8.4776 9.9657 9.9657 10.2160 10.2160 10.9916 10.9916 11.2384 11.2384 k = 0.0444 0.5000 0.0444 ( 4410 PWs) bands (ev): -32.5969 -32.5969 -32.5785 -32.5785 -32.5602 -32.5602 -13.9476 -13.9476 -13.9080 -13.9080 -13.8808 -13.8808 -13.6164 -13.6164 -13.5892 -13.5892 -13.5707 -13.5707 -13.4348 -13.4348 -13.3968 -13.3968 -13.3182 -13.3182 -4.2440 -4.2440 -4.2362 -4.2362 -3.9243 -3.9243 -2.0774 -2.0774 -2.0742 -2.0742 -2.0589 -2.0589 1.7594 1.7594 5.8387 5.8387 6.0774 6.0774 6.7956 6.7956 6.8338 6.8338 8.0291 8.0291 8.4987 8.4987 9.9409 9.9409 10.2023 10.2023 10.9888 10.9888 11.2145 11.2145 k = 0.0333 0.5000 0.0333 ( 4406 PWs) bands (ev): -32.5970 -32.5970 -32.5785 -32.5785 -32.5601 -32.5601 -13.9477 -13.9477 -13.9071 -13.9071 -13.8810 -13.8810 -13.6160 -13.6160 -13.5875 -13.5875 -13.5733 -13.5733 -13.4296 -13.4296 -13.4008 -13.4008 -13.3189 -13.3189 -4.2440 -4.2440 -4.2362 -4.2362 -3.9284 -3.9284 -2.0776 -2.0776 -2.0742 -2.0742 -2.0590 -2.0590 1.7543 1.7543 5.8420 5.8420 6.0891 6.0891 6.8088 6.8088 6.8305 6.8305 8.0423 8.0423 8.5156 8.5156 9.9210 9.9210 10.1915 10.1915 10.9866 10.9866 11.1952 11.1952 k = 0.0222 0.5000 0.0222 ( 4404 PWs) bands (ev): -32.5971 -32.5971 -32.5785 -32.5785 -32.5600 -32.5600 -13.9478 -13.9478 -13.9064 -13.9064 -13.8811 -13.8811 -13.6157 -13.6157 -13.5855 -13.5855 -13.5758 -13.5758 -13.4247 -13.4247 -13.4048 -13.4048 -13.3194 -13.3194 -4.2441 -4.2441 -4.2362 -4.2362 -3.9313 -3.9313 -2.0778 -2.0778 -2.0741 -2.0741 -2.0590 -2.0590 1.7507 1.7507 5.8444 5.8444 6.0976 6.0976 6.8183 6.8183 6.8281 6.8281 8.0519 8.0519 8.5280 8.5280 9.9066 9.9066 10.1838 10.1838 10.9850 10.9850 11.1811 11.1811 k = 0.0111 0.5000 0.0111 ( 4416 PWs) bands (ev): -32.5972 -32.5972 -32.5785 -32.5785 -32.5599 -32.5599 -13.9480 -13.9480 -13.9061 -13.9061 -13.8812 -13.8812 -13.6157 -13.6157 -13.5833 -13.5833 -13.5784 -13.5784 -13.4203 -13.4203 -13.4086 -13.4086 -13.3197 -13.3197 -4.2441 -4.2441 -4.2361 -4.2361 -3.9331 -3.9331 -2.0779 -2.0779 -2.0741 -2.0741 -2.0591 -2.0591 1.7486 1.7486 5.8458 5.8458 6.1027 6.1027 6.8237 6.8237 6.8269 6.8269 8.0577 8.0577 8.5356 8.5356 9.8977 9.8977 10.1791 10.1791 10.9840 10.9840 11.1724 11.1724 k = 0.0000 0.5000-0.0000 ( 4436 PWs) bands (ev): -32.5972 -32.5972 -32.5785 -32.5785 -32.5599 -32.5599 -13.9481 -13.9481 -13.9060 -13.9060 -13.8813 -13.8813 -13.6157 -13.6157 -13.5812 -13.5812 -13.5807 -13.5807 -13.4180 -13.4180 -13.4109 -13.4109 -13.3198 -13.3198 -4.2442 -4.2442 -4.2361 -4.2361 -3.9337 -3.9337 -2.0779 -2.0779 -2.0741 -2.0741 -2.0591 -2.0591 1.7478 1.7478 5.8463 5.8463 6.1044 6.1044 6.8250 6.8250 6.8271 6.8271 8.0597 8.0597 8.5382 8.5382 9.8947 9.8947 10.1775 10.1775 10.9836 10.9836 11.1695 11.1695 k = 0.5000 0.5000-0.0000 ( 4388 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9538 -13.9538 -13.9067 -13.9067 -13.9057 -13.9057 -13.6334 -13.6334 -13.5872 -13.5872 -13.5588 -13.5588 -13.4918 -13.4918 -13.3896 -13.3896 -13.2694 -13.2694 -4.2386 -4.2386 -4.2377 -4.2377 -3.6829 -3.6829 -2.0799 -2.0799 -2.0658 -2.0658 -2.0479 -2.0479 2.1075 2.1075 5.2127 5.2127 5.3132 5.3132 6.6127 6.6127 7.0686 7.0686 7.4157 7.4157 8.2978 8.2978 10.4953 10.4953 10.9124 10.9124 10.9271 10.9271 10.9948 10.9948 k = 0.5000 0.5000 0.0156 ( 4412 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9539 -13.9539 -13.9077 -13.9077 -13.9051 -13.9051 -13.6339 -13.6339 -13.5867 -13.5867 -13.5589 -13.5589 -13.4921 -13.4921 -13.3891 -13.3891 -13.2694 -13.2694 -4.2386 -4.2386 -4.2377 -4.2377 -3.6824 -3.6824 -2.0800 -2.0800 -2.0658 -2.0658 -2.0479 -2.0479 2.1076 2.1076 5.2134 5.2134 5.3136 5.3136 6.6094 6.6094 7.0682 7.0682 7.4158 7.4158 8.2954 8.2954 10.4961 10.4961 10.9114 10.9114 10.9261 10.9261 10.9961 10.9970 k = 0.5000 0.5000 0.0312 ( 4412 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9539 -13.9539 -13.9091 -13.9091 -13.9043 -13.9043 -13.6353 -13.6353 -13.5853 -13.5853 -13.5592 -13.5592 -13.4930 -13.4930 -13.3875 -13.3875 -13.2694 -13.2694 -4.2387 -4.2387 -4.2377 -4.2377 -3.6807 -3.6807 -2.0801 -2.0801 -2.0657 -2.0657 -2.0480 -2.0480 2.1081 2.1081 5.2154 5.2154 5.3151 5.3151 6.5996 6.5996 7.0671 7.0671 7.4162 7.4162 8.2883 8.2883 10.4985 10.4985 10.9088 10.9088 10.9231 10.9231 11.0012 11.0033 k = 0.5000 0.5000 0.0469 ( 4404 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9540 -13.9540 -13.9108 -13.9108 -13.9038 -13.9038 -13.6374 -13.6374 -13.5831 -13.5831 -13.5595 -13.5595 -13.4943 -13.4943 -13.3848 -13.3848 -13.2694 -13.2694 -4.2387 -4.2387 -4.2377 -4.2377 -3.6780 -3.6780 -2.0803 -2.0803 -2.0656 -2.0656 -2.0481 -2.0481 2.1087 2.1087 5.2187 5.2187 5.3175 5.3175 6.5835 6.5835 7.0652 7.0652 7.4169 7.4169 8.2767 8.2767 10.5023 10.5023 10.9046 10.9046 10.9186 10.9186 11.0064 11.0079 k = 0.5000 0.5000 0.0625 ( 4424 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9542 -13.9542 -13.9127 -13.9127 -13.9035 -13.9035 -13.6401 -13.6401 -13.5803 -13.5803 -13.5600 -13.5600 -13.4961 -13.4961 -13.3814 -13.3814 -13.2694 -13.2694 -4.2387 -4.2387 -4.2378 -4.2378 -3.6741 -3.6741 -2.0806 -2.0806 -2.0655 -2.0655 -2.0483 -2.0483 2.1097 2.1097 5.2234 5.2234 5.3208 5.3208 6.5613 6.5613 7.0627 7.0627 7.4178 7.4178 8.2608 8.2608 10.5070 10.5070 10.8990 10.8990 10.9128 10.9128 11.0138 11.0158 k = 0.5000 0.5000 0.0781 ( 4428 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9544 -13.9544 -13.9147 -13.9147 -13.9035 -13.9035 -13.6432 -13.6432 -13.5771 -13.5771 -13.5607 -13.5607 -13.4980 -13.4980 -13.3772 -13.3772 -13.2693 -13.2693 -4.2388 -4.2388 -4.2379 -4.2379 -3.6693 -3.6693 -2.0809 -2.0809 -2.0653 -2.0653 -2.0485 -2.0485 2.1109 2.1109 5.2293 5.2293 5.3250 5.3250 6.5335 6.5335 7.0595 7.0595 7.4191 7.4191 8.2409 8.2409 10.5124 10.5124 10.8919 10.8919 10.9057 10.9057 11.0231 11.0234 k = 0.5000 0.5000 0.0937 ( 4436 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9547 -13.9547 -13.9169 -13.9169 -13.9038 -13.9038 -13.6466 -13.6466 -13.5735 -13.5735 -13.5616 -13.5616 -13.5000 -13.5000 -13.3725 -13.3725 -13.2693 -13.2693 -4.2388 -4.2388 -4.2379 -4.2379 -3.6635 -3.6635 -2.0814 -2.0814 -2.0651 -2.0651 -2.0488 -2.0488 2.1123 2.1123 5.2364 5.2364 5.3300 5.3300 6.5004 6.5004 7.0557 7.0557 7.4208 7.4208 8.2173 8.2173 10.5179 10.5179 10.8833 10.8833 10.8975 10.8975 11.0337 11.0347 k = 0.5000 0.5000 0.1094 ( 4428 PWs) bands (ev): -32.5785 -32.5785 -32.5783 -32.5783 -32.5783 -32.5783 -13.9550 -13.9550 -13.9192 -13.9192 -13.9043 -13.9043 -13.6500 -13.6500 -13.5698 -13.5698 -13.5625 -13.5625 -13.5019 -13.5019 -13.3672 -13.3672 -13.2692 -13.2692 -4.2389 -4.2389 -4.2380 -4.2380 -3.6567 -3.6567 -2.0819 -2.0819 -2.0649 -2.0649 -2.0491 -2.0491 2.1140 2.1140 5.2446 5.2446 5.3358 5.3358 6.4626 6.4626 7.0513 7.0513 7.4230 7.4230 8.1904 8.1904 10.5229 10.5229 10.8733 10.8733 10.8882 10.8882 11.0451 11.0455 k = 0.5000 0.5000 0.1250 ( 4424 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9553 -13.9553 -13.9216 -13.9216 -13.9051 -13.9051 -13.6536 -13.6536 -13.5659 -13.5659 -13.5637 -13.5637 -13.5038 -13.5038 -13.3617 -13.3617 -13.2691 -13.2691 -4.2390 -4.2390 -4.2381 -4.2381 -3.6490 -3.6490 -2.0824 -2.0824 -2.0646 -2.0646 -2.0494 -2.0494 2.1159 2.1159 5.2539 5.2539 5.3423 5.3423 6.4206 6.4206 7.0464 7.0464 7.4256 7.4256 8.1608 8.1608 10.5271 10.5271 10.8617 10.8617 10.8775 10.8775 11.0577 11.0584 k = 0.5000 0.5000 0.1406 ( 4424 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9557 -13.9557 -13.9241 -13.9241 -13.9061 -13.9061 -13.6571 -13.6571 -13.5650 -13.5650 -13.5620 -13.5620 -13.5055 -13.5055 -13.3559 -13.3559 -13.2690 -13.2690 -4.2391 -4.2391 -4.2382 -4.2382 -3.6405 -3.6405 -2.0831 -2.0831 -2.0643 -2.0643 -2.0498 -2.0498 2.1180 2.1180 5.2642 5.2642 5.3494 5.3494 6.3750 6.3750 7.0410 7.0410 7.4289 7.4289 8.1288 8.1288 10.5301 10.5301 10.8484 10.8484 10.8653 10.8653 11.0709 11.0723 k = 0.5000 0.5000 0.1562 ( 4436 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9561 -13.9561 -13.9266 -13.9266 -13.9075 -13.9075 -13.6607 -13.6607 -13.5664 -13.5664 -13.5582 -13.5582 -13.5070 -13.5070 -13.3500 -13.3500 -13.2689 -13.2689 -4.2392 -4.2392 -4.2384 -4.2384 -3.6312 -3.6312 -2.0838 -2.0838 -2.0640 -2.0640 -2.0502 -2.0502 2.1203 2.1203 5.2753 5.2753 5.3570 5.3570 6.3264 6.3264 7.0353 7.0353 7.4328 7.4328 8.0950 8.0950 10.5314 10.5314 10.8333 10.8333 10.8515 10.8515 11.0852 11.0855 k = 0.5000 0.5000 0.1719 ( 4436 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9565 -13.9565 -13.9292 -13.9292 -13.9090 -13.9090 -13.6642 -13.6642 -13.5679 -13.5679 -13.5543 -13.5543 -13.5082 -13.5082 -13.3440 -13.3440 -13.2688 -13.2688 -4.2393 -4.2393 -4.2385 -4.2385 -3.6213 -3.6213 -2.0845 -2.0845 -2.0636 -2.0636 -2.0506 -2.0506 2.1227 2.1227 5.2871 5.2871 5.3651 5.3651 6.2754 6.2754 7.0292 7.0292 7.4374 7.4374 8.0599 8.0599 10.5308 10.5308 10.8162 10.8162 10.8359 10.8359 11.0997 11.1002 k = 0.5000 0.5000 0.1875 ( 4420 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9569 -13.9569 -13.9317 -13.9317 -13.9107 -13.9107 -13.6676 -13.6676 -13.5694 -13.5694 -13.5504 -13.5504 -13.5091 -13.5091 -13.3379 -13.3379 -13.2686 -13.2686 -4.2394 -4.2394 -4.2387 -4.2387 -3.6108 -3.6108 -2.0853 -2.0853 -2.0633 -2.0633 -2.0510 -2.0510 2.1254 2.1254 5.2996 5.2996 5.3735 5.3735 6.2227 6.2227 7.0228 7.0228 7.4427 7.4427 8.0240 8.0240 10.5283 10.5283 10.7972 10.7972 10.8185 10.8185 11.1150 11.1157 k = 0.5000 0.5000 0.2031 ( 4436 PWs) bands (ev): -32.5784 -32.5784 -32.5783 -32.5783 -32.5783 -32.5783 -13.9574 -13.9574 -13.9343 -13.9343 -13.9126 -13.9126 -13.6710 -13.6710 -13.5711 -13.5711 -13.5467 -13.5467 -13.5099 -13.5099 -13.3320 -13.3320 -13.2685 -13.2685 -4.2395 -4.2395 -4.2388 -4.2388 -3.5998 -3.5998 -2.0861 -2.0861 -2.0629 -2.0629 -2.0515 -2.0515 2.1281 2.1281 5.3126 5.3126 5.3822 5.3822 6.1686 6.1686 7.0162 7.0162 7.4488 7.4488 7.9877 7.9877 10.5239 10.5239 10.7762 10.7762 10.7992 10.7992 11.1305 11.1310 k = 0.5000 0.5000 0.2187 ( 4420 PWs) bands (ev): -32.5784 -32.5784 -32.5782 -32.5782 -32.5782 -32.5782 -13.9579 -13.9579 -13.9369 -13.9369 -13.9147 -13.9147 -13.6742 -13.6742 -13.5727 -13.5727 -13.5430 -13.5430 -13.5104 -13.5104 -13.3261 -13.3261 -13.2683 -13.2683 -4.2396 -4.2396 -4.2390 -4.2390 -3.5885 -3.5885 -2.0870 -2.0870 -2.0625 -2.0625 -2.0519 -2.0519 2.1310 2.1310 5.3260 5.3260 5.3910 5.3910 6.1139 6.1139 7.0094 7.0094 7.4558 7.4558 7.9515 7.9515 10.5175 10.5175 10.7532 10.7532 10.7779 10.7779 11.1465 11.1470 k = 0.5000 0.5000 0.2344 ( 4428 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9584 -13.9584 -13.9394 -13.9394 -13.9169 -13.9169 -13.6773 -13.6773 -13.5743 -13.5743 -13.5395 -13.5395 -13.5108 -13.5108 -13.3203 -13.3203 -13.2682 -13.2682 -4.2397 -4.2397 -4.2391 -4.2391 -3.5768 -3.5768 -2.0879 -2.0879 -2.0621 -2.0621 -2.0524 -2.0524 2.1339 2.1339 5.3397 5.3397 5.3999 5.3999 6.0591 6.0591 7.0024 7.0024 7.4636 7.4636 7.9158 7.9158 10.5095 10.5095 10.7284 10.7284 10.7547 10.7547 11.1625 11.1628 k = 0.5000 0.5000 0.2500 ( 4428 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9589 -13.9589 -13.9419 -13.9419 -13.9192 -13.9192 -13.6803 -13.6803 -13.5759 -13.5759 -13.5361 -13.5361 -13.5109 -13.5109 -13.3147 -13.3147 -13.2680 -13.2680 -4.2399 -4.2399 -4.2393 -4.2393 -3.5650 -3.5650 -2.0888 -2.0888 -2.0616 -2.0616 -2.0529 -2.0529 2.1369 2.1369 5.3534 5.3534 5.4088 5.4088 6.0046 6.0046 6.9952 6.9952 7.4721 7.4721 7.8811 7.8811 10.5001 10.5001 10.7019 10.7019 10.7298 10.7298 11.1786 11.1787 k = 0.5000 0.5000 0.2656 ( 4436 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9595 -13.9595 -13.9443 -13.9443 -13.9216 -13.9216 -13.6831 -13.6831 -13.5774 -13.5774 -13.5329 -13.5329 -13.5110 -13.5110 -13.3094 -13.3094 -13.2679 -13.2679 -4.2400 -4.2400 -4.2395 -4.2395 -3.5531 -3.5531 -2.0897 -2.0897 -2.0612 -2.0612 -2.0533 -2.0533 2.1400 2.1400 5.3671 5.3671 5.4175 5.4175 5.9510 5.9510 6.9880 6.9880 7.4814 7.4814 7.8477 7.8477 10.4895 10.4895 10.6739 10.6739 10.7033 10.7033 11.1945 11.1948 k = 0.5000 0.5000 0.2812 ( 4428 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9600 -13.9600 -13.9467 -13.9467 -13.9240 -13.9240 -13.6857 -13.6857 -13.5788 -13.5788 -13.5298 -13.5298 -13.5109 -13.5109 -13.3042 -13.3042 -13.2677 -13.2677 -4.2401 -4.2401 -4.2397 -4.2397 -3.5413 -3.5413 -2.0906 -2.0906 -2.0608 -2.0608 -2.0537 -2.0537 2.1430 2.1430 5.3807 5.3807 5.4260 5.4260 5.8987 5.8987 6.9808 6.9808 7.4914 7.4914 7.8159 7.8159 10.4780 10.4780 10.6448 10.6448 10.6755 10.6755 11.2102 11.2109 k = 0.5000 0.5000 0.2969 ( 4428 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9605 -13.9605 -13.9489 -13.9489 -13.9264 -13.9264 -13.6882 -13.6882 -13.5802 -13.5802 -13.5269 -13.5269 -13.5107 -13.5107 -13.2993 -13.2993 -13.2676 -13.2676 -4.2402 -4.2402 -4.2398 -4.2398 -3.5296 -3.5296 -2.0915 -2.0915 -2.0604 -2.0604 -2.0542 -2.0542 2.1460 2.1460 5.3939 5.3939 5.4342 5.4342 5.8482 5.8482 6.9734 6.9734 7.5020 7.5020 7.7860 7.7860 10.4659 10.4659 10.6150 10.6150 10.6467 10.6467 11.2260 11.2270 k = 0.5000 0.5000 0.3125 ( 4420 PWs) bands (ev): -32.5783 -32.5783 -32.5782 -32.5782 -32.5782 -32.5782 -13.9609 -13.9609 -13.9510 -13.9510 -13.9288 -13.9288 -13.6905 -13.6905 -13.5814 -13.5814 -13.5241 -13.5241 -13.5105 -13.5105 -13.2946 -13.2946 -13.2674 -13.2674 -4.2404 -4.2404 -4.2400 -4.2400 -3.5183 -3.5183 -2.0924 -2.0924 -2.0600 -2.0600 -2.0546 -2.0546 2.1489 2.1489 5.4067 5.4067 5.4420 5.4420 5.7998 5.7998 6.9661 6.9661 7.5130 7.5130 7.7583 7.7583 10.4536 10.4536 10.5847 10.5847 10.6172 10.6172 11.2405 11.2420 k = 0.5000 0.5000 0.3281 ( 4428 PWs) bands (ev): -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -13.9614 -13.9614 -13.9530 -13.9530 -13.9311 -13.9311 -13.6926 -13.6926 -13.5825 -13.5825 -13.5216 -13.5216 -13.5102 -13.5102 -13.2904 -13.2904 -13.2673 -13.2673 -4.2405 -4.2405 -4.2402 -4.2402 -3.5073 -3.5073 -2.0933 -2.0933 -2.0596 -2.0596 -2.0550 -2.0550 2.1517 2.1517 5.4190 5.4190 5.4494 5.4494 5.7539 5.7539 6.9588 6.9588 7.5244 7.5244 7.7329 7.7329 10.4412 10.4412 10.5545 10.5545 10.5876 10.5876 11.2556 11.2561 k = 0.5000 0.5000 0.3437 ( 4428 PWs) bands (ev): -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -13.9619 -13.9619 -13.9549 -13.9549 -13.9333 -13.9333 -13.6946 -13.6946 -13.5836 -13.5836 -13.5192 -13.5192 -13.5099 -13.5099 -13.2863 -13.2863 -13.2672 -13.2672 -4.2406 -4.2406 -4.2403 -4.2403 -3.4968 -3.4968 -2.0941 -2.0941 -2.0592 -2.0592 -2.0554 -2.0554 2.1545 2.1545 5.4306 5.4306 5.4563 5.4563 5.7109 5.7109 6.9517 6.9517 7.5358 7.5358 7.7100 7.7100 10.4289 10.4289 10.5248 10.5248 10.5583 10.5583 11.2692 11.2703 k = 0.5000 0.5000 0.3594 ( 4416 PWs) bands (ev): -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -13.9623 -13.9623 -13.9566 -13.9566 -13.9354 -13.9354 -13.6963 -13.6963 -13.5845 -13.5845 -13.5171 -13.5171 -13.5096 -13.5096 -13.2827 -13.2827 -13.2670 -13.2670 -4.2407 -4.2407 -4.2405 -4.2405 -3.4870 -3.4870 -2.0948 -2.0948 -2.0589 -2.0589 -2.0557 -2.0557 2.1570 2.1570 5.4414 5.4414 5.4626 5.4626 5.6710 5.6710 6.9447 6.9447 7.5473 7.5473 7.6896 7.6896 10.4171 10.4171 10.4961 10.4961 10.5298 10.5298 11.2814 11.2831 k = 0.5000 0.5000 0.3750 ( 4424 PWs) bands (ev): -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -13.9627 -13.9627 -13.9582 -13.9582 -13.9374 -13.9374 -13.6979 -13.6979 -13.5853 -13.5853 -13.5151 -13.5151 -13.5093 -13.5093 -13.2794 -13.2794 -13.2670 -13.2670 -4.2408 -4.2408 -4.2406 -4.2406 -3.4779 -3.4779 -2.0955 -2.0955 -2.0586 -2.0586 -2.0560 -2.0560 2.1594 2.1594 5.4513 5.4513 5.4684 5.4684 5.6345 5.6345 6.9380 6.9380 7.5584 7.5584 7.6717 7.6717 10.4058 10.4058 10.4688 10.4688 10.5027 10.5027 11.2928 11.2961 k = 0.5000 0.5000 0.3906 ( 4416 PWs) bands (ev): -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -32.5782 -13.9631 -13.9631 -13.9596 -13.9596 -13.9391 -13.9391 -13.6993 -13.6993 -13.5860 -13.5860 -13.5134 -13.5134 -13.5089 -13.5089 -13.2764 -13.2764 -13.2668 -13.2668 -4.2409 -4.2409 -4.2407 -4.2407 -3.4696 -3.4696 -2.0962 -2.0962 -2.0583 -2.0583 -2.0563 -2.0563 2.1616 2.1616 5.4603 5.4603 5.4736 5.4736 5.6018 5.6018 6.9317 6.9317 7.5689 7.5689 7.6562 7.6562 10.3952 10.3952 10.4435 10.4435 10.4775 10.4775 11.3041 11.3070 k = 0.5000 0.5000 0.4062 ( 4400 PWs) bands (ev): -32.5782 -32.5782 -32.5781 -32.5781 -32.5781 -32.5781 -13.9633 -13.9633 -13.9608 -13.9608 -13.9407 -13.9407 -13.7005 -13.7005 -13.5866 -13.5866 -13.5119 -13.5119 -13.5086 -13.5086 -13.2738 -13.2738 -13.2667 -13.2667 -4.2409 -4.2409 -4.2408 -4.2408 -3.4622 -3.4622 -2.0968 -2.0968 -2.0580 -2.0580 -2.0566 -2.0566 2.1635 2.1635 5.4682 5.4682 5.4781 5.4781 5.5729 5.5729 6.9259 6.9259 7.5787 7.5787 7.6432 7.6432 10.3855 10.3855 10.4205 10.4205 10.4549 10.4549 11.3129 11.3153 k = 0.5000 0.5000 0.4219 ( 4384 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9636 -13.9636 -13.9618 -13.9618 -13.9421 -13.9421 -13.7016 -13.7016 -13.5871 -13.5871 -13.5105 -13.5105 -13.5083 -13.5083 -13.2714 -13.2714 -13.2666 -13.2666 -4.2410 -4.2410 -4.2409 -4.2409 -3.4558 -3.4558 -2.0973 -2.0973 -2.0578 -2.0578 -2.0568 -2.0568 2.1652 2.1652 5.4750 5.4750 5.4820 5.4820 5.5482 5.5482 6.9207 6.9207 7.5875 7.5875 7.6325 7.6325 10.3765 10.3765 10.4003 10.4003 10.4352 10.4352 11.3211 11.3219 k = 0.5000 0.5000 0.4375 ( 4376 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9638 -13.9638 -13.9627 -13.9627 -13.9432 -13.9432 -13.7024 -13.7024 -13.5875 -13.5875 -13.5095 -13.5095 -13.5080 -13.5080 -13.2696 -13.2696 -13.2666 -13.2666 -4.2411 -4.2411 -4.2410 -4.2410 -3.4505 -3.4505 -2.0977 -2.0977 -2.0576 -2.0576 -2.0570 -2.0570 2.1666 2.1666 5.4807 5.4807 5.4852 5.4852 5.5278 5.5278 6.9163 6.9163 7.5951 7.5951 7.6240 7.6240 10.3686 10.3686 10.3833 10.3833 10.4190 10.4190 11.3285 11.3301 k = 0.5000 0.5000 0.4531 ( 4396 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9640 -13.9640 -13.9634 -13.9634 -13.9441 -13.9441 -13.7031 -13.7031 -13.5878 -13.5878 -13.5087 -13.5087 -13.5079 -13.5079 -13.2683 -13.2683 -13.2666 -13.2666 -4.2411 -4.2411 -4.2411 -4.2411 -3.4463 -3.4463 -2.0980 -2.0980 -2.0575 -2.0575 -2.0571 -2.0571 2.1677 2.1677 5.4851 5.4851 5.4876 5.4876 5.5117 5.5117 6.9127 6.9127 7.6012 7.6012 7.6175 7.6175 10.3617 10.3617 10.3697 10.3697 10.4065 10.4065 11.3333 11.3344 k = 0.5000 0.5000 0.4687 ( 4416 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9642 -13.9642 -13.9639 -13.9639 -13.9448 -13.9448 -13.7036 -13.7036 -13.5881 -13.5881 -13.5082 -13.5082 -13.5078 -13.5078 -13.2673 -13.2673 -13.2665 -13.2665 -4.2411 -4.2411 -4.2411 -4.2411 -3.4433 -3.4433 -2.0982 -2.0982 -2.0574 -2.0574 -2.0572 -2.0572 2.1685 2.1685 5.4883 5.4883 5.4894 5.4894 5.5001 5.5001 6.9101 6.9101 7.6057 7.6057 7.6129 7.6129 10.3563 10.3563 10.3597 10.3597 10.3978 10.3978 11.3374 11.3389 k = 0.5000 0.5000 0.4844 ( 4416 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9642 -13.9642 -13.9452 -13.9452 -13.7039 -13.7039 -13.5882 -13.5882 -13.5078 -13.5078 -13.5077 -13.5077 -13.2667 -13.2667 -13.2665 -13.2665 -4.2412 -4.2412 -4.2412 -4.2412 -3.4414 -3.4414 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1690 2.1690 5.4902 5.4902 5.4904 5.4904 5.4931 5.4931 6.9085 6.9085 7.6084 7.6084 7.6102 7.6102 10.3529 10.3529 10.3537 10.3537 10.3927 10.3927 11.3397 11.3430 k = 0.5000 0.5000 0.5000 ( 4416 PWs) bands (ev): -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -32.5781 -13.9643 -13.9643 -13.9643 -13.9643 -13.9454 -13.9454 -13.7040 -13.7040 -13.5883 -13.5883 -13.5077 -13.5077 -13.5077 -13.5077 -13.2665 -13.2665 -13.2665 -13.2665 -4.2412 -4.2412 -4.2412 -4.2412 -3.4408 -3.4408 -2.0984 -2.0984 -2.0573 -2.0573 -2.0573 -2.0573 2.1691 2.1691 5.4908 5.4908 5.4908 5.4908 5.4908 5.4908 6.9080 6.9080 7.6093 7.6093 7.6093 7.6093 10.3517 10.3517 10.3517 10.3517 10.3910 10.3910 11.3404 11.3426 Writing output data file Ca3TlN.save init_run : 0.32s CPU 0.53s WALL ( 1 calls) electrons : 355.45s CPU 360.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 355.44s CPU 360.97s 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 : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 247 calls) cegterg : 341.38s CPU 345.60s WALL ( 1018 calls) Called by sum_band: Called by *egterg: h_psi : 156.52s CPU 158.68s WALL ( 19749 calls) s_psi : 9.57s CPU 9.56s WALL ( 19749 calls) g_psi : 0.43s CPU 0.40s WALL ( 18484 calls) cdiaghg : 151.41s CPU 153.25s WALL ( 18731 calls) cegterg:over : 11.35s CPU 11.35s WALL ( 18484 calls) cegterg:upda : 12.75s CPU 12.91s WALL ( 18484 calls) cegterg:last : 4.42s CPU 4.39s WALL ( 1862 calls) cdiaghg:chol : 8.38s CPU 8.62s WALL ( 18731 calls) cdiaghg:inve : 6.14s CPU 5.93s WALL ( 18731 calls) cdiaghg:para : 9.26s CPU 9.33s WALL ( 37462 calls) Called by h_psi: h_psi:vloc : 135.37s CPU 137.22s WALL ( 19749 calls) h_psi:vnl : 20.74s CPU 21.04s WALL ( 19749 calls) add_vuspsi : 11.20s CPU 11.31s WALL ( 19749 calls) General routines calbec : 9.47s CPU 9.67s WALL ( 19749 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.14s CPU 128.98s WALL ( 1276972 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.19s WALL ( 494 calls) Parallel routines fft_scatter : 40.96s CPU 41.01s WALL ( 1276995 calls) PWSCF : 6m10.02s CPU 6m31.26s WALL This run was terminated on: 16:40:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=