Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:26 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: ./Ca3AuN.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 77 33 9 3095 875 139 Max 78 34 10 3100 890 144 Sum 2801 1209 357 111539 31799 5137 bravais-lattice index = 14 lattice parameter (alat) = 9.1113 a.u. unit-cell volume = 756.3852 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.111314 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 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 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 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= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 Dense grid: 111539 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 31799 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 234, 56) NL pseudopotentials 0.27 Mb ( 117, 150) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3097) G-vector shells 0.00 Mb ( 598) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 234, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.26 Mb ( 150, 2, 56) The potential is recalculated from file : ./Ca3AuN.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 12.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.0 secs Computing kpt #: 14 total cpu time spent up to now is 13.7 secs Computing kpt #: 15 total cpu time spent up to now is 14.5 secs Computing kpt #: 16 total cpu time spent up to now is 15.3 secs Computing kpt #: 17 total cpu time spent up to now is 16.0 secs Computing kpt #: 18 total cpu time spent up to now is 16.7 secs Computing kpt #: 19 total cpu time spent up to now is 17.5 secs Computing kpt #: 20 total cpu time spent up to now is 18.2 secs Computing kpt #: 21 total cpu time spent up to now is 18.9 secs Computing kpt #: 22 total cpu time spent up to now is 19.7 secs Computing kpt #: 23 total cpu time spent up to now is 20.4 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 21.9 secs Computing kpt #: 26 total cpu time spent up to now is 22.6 secs Computing kpt #: 27 total cpu time spent up to now is 23.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.1 secs Computing kpt #: 29 total cpu time spent up to now is 24.8 secs Computing kpt #: 30 total cpu time spent up to now is 25.6 secs Computing kpt #: 31 total cpu time spent up to now is 26.5 secs Computing kpt #: 32 total cpu time spent up to now is 27.4 secs Computing kpt #: 33 total cpu time spent up to now is 28.3 secs Computing kpt #: 34 total cpu time spent up to now is 29.2 secs Computing kpt #: 35 total cpu time spent up to now is 30.1 secs Computing kpt #: 36 total cpu time spent up to now is 31.0 secs Computing kpt #: 37 total cpu time spent up to now is 31.9 secs Computing kpt #: 38 total cpu time spent up to now is 32.9 secs Computing kpt #: 39 total cpu time spent up to now is 33.8 secs Computing kpt #: 40 total cpu time spent up to now is 34.6 secs Computing kpt #: 41 total cpu time spent up to now is 35.5 secs Computing kpt #: 42 total cpu time spent up to now is 36.4 secs Computing kpt #: 43 total cpu time spent up to now is 37.4 secs Computing kpt #: 44 total cpu time spent up to now is 38.3 secs Computing kpt #: 45 total cpu time spent up to now is 39.3 secs Computing kpt #: 46 total cpu time spent up to now is 40.3 secs Computing kpt #: 47 total cpu time spent up to now is 41.3 secs Computing kpt #: 48 total cpu time spent up to now is 42.3 secs Computing kpt #: 49 total cpu time spent up to now is 43.2 secs Computing kpt #: 50 total cpu time spent up to now is 44.2 secs Computing kpt #: 51 total cpu time spent up to now is 45.3 secs Computing kpt #: 52 total cpu time spent up to now is 46.3 secs Computing kpt #: 53 total cpu time spent up to now is 47.3 secs Computing kpt #: 54 total cpu time spent up to now is 48.4 secs Computing kpt #: 55 total cpu time spent up to now is 49.4 secs Computing kpt #: 56 total cpu time spent up to now is 50.4 secs Computing kpt #: 57 total cpu time spent up to now is 51.4 secs Computing kpt #: 58 total cpu time spent up to now is 52.4 secs Computing kpt #: 59 total cpu time spent up to now is 53.5 secs Computing kpt #: 60 total cpu time spent up to now is 54.7 secs Computing kpt #: 61 total cpu time spent up to now is 55.8 secs Computing kpt #: 62 total cpu time spent up to now is 56.8 secs Computing kpt #: 63 total cpu time spent up to now is 58.1 secs Computing kpt #: 64 total cpu time spent up to now is 59.9 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.6 secs Computing kpt #: 66 total cpu time spent up to now is 63.4 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.2 secs Computing kpt #: 68 total cpu time spent up to now is 66.8 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.6 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.4 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.2 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.0 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.8 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.6 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 76 total cpu time spent up to now is 80.9 secs Computing kpt #: 77 total cpu time spent up to now is 82.3 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.1 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.8 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.1 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.4 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.1 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.5 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.2 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.9 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.6 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.3 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.0 secs Computing kpt #: 92 total cpu time spent up to now is 108.6 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 94 total cpu time spent up to now is 111.8 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.5 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.2 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.8 secs Computing kpt #: 98 total cpu time spent up to now is 118.4 secs Computing kpt #: 99 total cpu time spent up to now is 120.1 secs Computing kpt #: 100 total cpu time spent up to now is 121.6 secs Computing kpt #: 101 total cpu time spent up to now is 123.0 secs Computing kpt #: 102 total cpu time spent up to now is 124.1 secs Computing kpt #: 103 total cpu time spent up to now is 125.1 secs Computing kpt #: 104 total cpu time spent up to now is 126.1 secs Computing kpt #: 105 total cpu time spent up to now is 127.1 secs Computing kpt #: 106 total cpu time spent up to now is 128.0 secs Computing kpt #: 107 total cpu time spent up to now is 128.9 secs Computing kpt #: 108 total cpu time spent up to now is 129.8 secs Computing kpt #: 109 total cpu time spent up to now is 130.7 secs Computing kpt #: 110 total cpu time spent up to now is 131.5 secs Computing kpt #: 111 total cpu time spent up to now is 132.3 secs Computing kpt #: 112 total cpu time spent up to now is 133.1 secs Computing kpt #: 113 total cpu time spent up to now is 133.9 secs Computing kpt #: 114 total cpu time spent up to now is 134.6 secs Computing kpt #: 115 total cpu time spent up to now is 135.4 secs Computing kpt #: 116 total cpu time spent up to now is 136.1 secs Computing kpt #: 117 total cpu time spent up to now is 136.9 secs Computing kpt #: 118 total cpu time spent up to now is 137.7 secs Computing kpt #: 119 total cpu time spent up to now is 138.4 secs Computing kpt #: 120 total cpu time spent up to now is 139.2 secs Computing kpt #: 121 total cpu time spent up to now is 140.0 secs Computing kpt #: 122 total cpu time spent up to now is 140.8 secs Computing kpt #: 123 total cpu time spent up to now is 141.6 secs Computing kpt #: 124 total cpu time spent up to now is 142.4 secs Computing kpt #: 125 total cpu time spent up to now is 143.3 secs Computing kpt #: 126 total cpu time spent up to now is 144.2 secs Computing kpt #: 127 total cpu time spent up to now is 145.1 secs Computing kpt #: 128 total cpu time spent up to now is 146.0 secs Computing kpt #: 129 total cpu time spent up to now is 146.9 secs Computing kpt #: 130 total cpu time spent up to now is 147.9 secs Computing kpt #: 131 total cpu time spent up to now is 148.7 secs Computing kpt #: 132 total cpu time spent up to now is 149.6 secs Computing kpt #: 133 total cpu time spent up to now is 151.8 secs Computing kpt #: 134 total cpu time spent up to now is 152.7 secs Computing kpt #: 135 total cpu time spent up to now is 153.6 secs Computing kpt #: 136 total cpu time spent up to now is 154.5 secs Computing kpt #: 137 total cpu time spent up to now is 155.3 secs Computing kpt #: 138 total cpu time spent up to now is 156.1 secs Computing kpt #: 139 total cpu time spent up to now is 156.9 secs Computing kpt #: 140 total cpu time spent up to now is 157.7 secs Computing kpt #: 141 total cpu time spent up to now is 158.5 secs Computing kpt #: 142 total cpu time spent up to now is 159.3 secs Computing kpt #: 143 total cpu time spent up to now is 160.3 secs Computing kpt #: 144 total cpu time spent up to now is 161.2 secs Computing kpt #: 145 total cpu time spent up to now is 162.2 secs Computing kpt #: 146 total cpu time spent up to now is 163.3 secs Computing kpt #: 147 total cpu time spent up to now is 164.2 secs Computing kpt #: 148 total cpu time spent up to now is 165.2 secs Computing kpt #: 149 total cpu time spent up to now is 166.5 secs Computing kpt #: 150 total cpu time spent up to now is 167.5 secs Computing kpt #: 151 total cpu time spent up to now is 168.4 secs Computing kpt #: 152 total cpu time spent up to now is 169.4 secs Computing kpt #: 153 total cpu time spent up to now is 170.4 secs Computing kpt #: 154 total cpu time spent up to now is 171.4 secs Computing kpt #: 155 total cpu time spent up to now is 172.4 secs Computing kpt #: 156 total cpu time spent up to now is 173.4 secs Computing kpt #: 157 total cpu time spent up to now is 174.4 secs Computing kpt #: 158 total cpu time spent up to now is 175.6 secs Computing kpt #: 159 total cpu time spent up to now is 176.9 secs Computing kpt #: 160 total cpu time spent up to now is 178.2 secs Computing kpt #: 161 total cpu time spent up to now is 179.4 secs Computing kpt #: 162 total cpu time spent up to now is 180.7 secs Computing kpt #: 163 total cpu time spent up to now is 181.7 secs Computing kpt #: 164 total cpu time spent up to now is 182.8 secs Computing kpt #: 165 total cpu time spent up to now is 183.8 secs Computing kpt #: 166 total cpu time spent up to now is 184.8 secs Computing kpt #: 167 total cpu time spent up to now is 185.8 secs Computing kpt #: 168 total cpu time spent up to now is 186.7 secs Computing kpt #: 169 total cpu time spent up to now is 187.5 secs Computing kpt #: 170 total cpu time spent up to now is 188.3 secs Computing kpt #: 171 total cpu time spent up to now is 189.1 secs Computing kpt #: 172 total cpu time spent up to now is 189.9 secs Computing kpt #: 173 total cpu time spent up to now is 190.7 secs Computing kpt #: 174 total cpu time spent up to now is 191.5 secs Computing kpt #: 175 total cpu time spent up to now is 192.3 secs Computing kpt #: 176 total cpu time spent up to now is 193.1 secs Computing kpt #: 177 total cpu time spent up to now is 193.9 secs Computing kpt #: 178 total cpu time spent up to now is 194.8 secs Computing kpt #: 179 total cpu time spent up to now is 195.5 secs Computing kpt #: 180 total cpu time spent up to now is 196.3 secs Computing kpt #: 181 total cpu time spent up to now is 197.2 secs Computing kpt #: 182 total cpu time spent up to now is 198.1 secs Computing kpt #: 183 total cpu time spent up to now is 199.0 secs Computing kpt #: 184 total cpu time spent up to now is 200.0 secs Computing kpt #: 185 total cpu time spent up to now is 200.9 secs Computing kpt #: 186 total cpu time spent up to now is 202.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.8 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.6 secs Computing kpt #: 189 total cpu time spent up to now is 207.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.0 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.6 secs Computing kpt #: 193 total cpu time spent up to now is 214.0 secs Computing kpt #: 194 total cpu time spent up to now is 215.3 secs Computing kpt #: 195 total cpu time spent up to now is 216.5 secs Computing kpt #: 196 total cpu time spent up to now is 217.8 secs Computing kpt #: 197 total cpu time spent up to now is 219.0 secs Computing kpt #: 198 total cpu time spent up to now is 220.2 secs Computing kpt #: 199 total cpu time spent up to now is 221.4 secs Computing kpt #: 200 total cpu time spent up to now is 222.6 secs Computing kpt #: 201 total cpu time spent up to now is 223.9 secs Computing kpt #: 202 total cpu time spent up to now is 224.9 secs Computing kpt #: 203 total cpu time spent up to now is 226.0 secs Computing kpt #: 204 total cpu time spent up to now is 227.1 secs Computing kpt #: 205 total cpu time spent up to now is 228.1 secs Computing kpt #: 206 total cpu time spent up to now is 229.1 secs Computing kpt #: 207 total cpu time spent up to now is 230.1 secs Computing kpt #: 208 total cpu time spent up to now is 231.1 secs Computing kpt #: 209 total cpu time spent up to now is 232.1 secs Computing kpt #: 210 total cpu time spent up to now is 233.1 secs Computing kpt #: 211 total cpu time spent up to now is 234.0 secs Computing kpt #: 212 total cpu time spent up to now is 235.0 secs Computing kpt #: 213 total cpu time spent up to now is 236.0 secs Computing kpt #: 214 total cpu time spent up to now is 236.9 secs Computing kpt #: 215 total cpu time spent up to now is 237.9 secs Computing kpt #: 216 total cpu time spent up to now is 238.8 secs Computing kpt #: 217 total cpu time spent up to now is 239.7 secs Computing kpt #: 218 total cpu time spent up to now is 240.7 secs Computing kpt #: 219 total cpu time spent up to now is 241.5 secs Computing kpt #: 220 total cpu time spent up to now is 242.4 secs Computing kpt #: 221 total cpu time spent up to now is 243.3 secs Computing kpt #: 222 total cpu time spent up to now is 244.2 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 224 total cpu time spent up to now is 247.3 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.0 secs Computing kpt #: 227 total cpu time spent up to now is 252.5 secs Computing kpt #: 228 total cpu time spent up to now is 253.8 secs Computing kpt #: 229 total cpu time spent up to now is 255.3 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.1 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.9 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.7 secs Computing kpt #: 233 total cpu time spent up to now is 262.5 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.3 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 236 total cpu time spent up to now is 267.4 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.1 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.0 secs Computing kpt #: 240 total cpu time spent up to now is 274.5 secs Computing kpt #: 241 total cpu time spent up to now is 275.9 secs Computing kpt #: 242 total cpu time spent up to now is 277.2 secs Computing kpt #: 243 total cpu time spent up to now is 278.5 secs Computing kpt #: 244 total cpu time spent up to now is 279.8 secs Computing kpt #: 245 total cpu time spent up to now is 281.0 secs Computing kpt #: 246 total cpu time spent up to now is 282.1 secs Computing kpt #: 247 total cpu time spent up to now is 283.1 secs Computing kpt #: 248 total cpu time spent up to now is 284.0 secs Computing kpt #: 249 total cpu time spent up to now is 285.0 secs Computing kpt #: 250 total cpu time spent up to now is 285.9 secs Computing kpt #: 251 total cpu time spent up to now is 286.7 secs Computing kpt #: 252 total cpu time spent up to now is 287.6 secs Computing kpt #: 253 total cpu time spent up to now is 288.4 secs Computing kpt #: 254 total cpu time spent up to now is 289.2 secs Computing kpt #: 255 total cpu time spent up to now is 290.0 secs Computing kpt #: 256 total cpu time spent up to now is 290.8 secs ethr = 2.17E-08, avg # of iterations = 59.9 total cpu time spent up to now is 290.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2529 -13.2529 -13.2529 -13.2529 -13.1311 -13.1311 -12.8858 -12.8858 -12.8858 -12.8858 -12.8090 -12.8090 -12.7418 -12.7418 -12.5316 -12.5316 -12.5316 -12.5316 -3.8579 -3.8579 3.5849 3.5849 3.6452 3.6452 3.6452 3.6452 5.0142 5.0142 5.0142 5.0142 5.1615 5.1615 7.5593 7.5593 7.5828 7.5828 7.5828 7.5828 10.2870 10.2870 10.2870 10.2870 10.6542 10.6542 10.6542 10.6542 10.6926 10.6926 11.0489 11.0489 k = 0.0000 0.0152-0.0000 ( 3915 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2528 -13.2528 -13.2528 -13.2528 -13.1311 -13.1311 -12.8858 -12.8858 -12.8857 -12.8857 -12.8090 -12.8090 -12.7418 -12.7418 -12.5318 -12.5318 -12.5317 -12.5317 -3.8571 -3.8571 3.5862 3.5862 3.6453 3.6453 3.6455 3.6455 5.0145 5.0145 5.0146 5.0146 5.1616 5.1616 7.5580 7.5580 7.5806 7.5806 7.5825 7.5825 10.2783 10.2783 10.2883 10.2883 10.6475 10.6475 10.6535 10.6535 10.6909 10.6909 11.0573 11.0573 k = 0.0000 0.0303-0.0000 ( 3927 PWs) bands (ev): -31.8835 -31.8835 -31.7984 -31.7984 -31.7983 -31.7983 -13.2528 -13.2528 -13.2525 -13.2525 -13.1310 -13.1310 -12.8859 -12.8859 -12.8856 -12.8856 -12.8092 -12.8092 -12.7420 -12.7420 -12.5326 -12.5326 -12.5319 -12.5319 -3.8548 -3.8548 3.5900 3.5900 3.6457 3.6457 3.6462 3.6462 5.0151 5.0151 5.0157 5.0157 5.1619 5.1619 7.5532 7.5532 7.5752 7.5752 7.5815 7.5815 10.2524 10.2524 10.2921 10.2921 10.6290 10.6290 10.6509 10.6509 10.6862 10.6862 11.0806 11.0806 k = 0.0000 0.0455-0.0000 ( 3931 PWs) bands (ev): -31.8832 -31.8832 -31.7987 -31.7987 -31.7983 -31.7983 -13.2526 -13.2526 -13.2520 -13.2520 -13.1309 -13.1309 -12.8859 -12.8859 -12.8855 -12.8855 -12.8093 -12.8093 -12.7423 -12.7423 -12.5338 -12.5338 -12.5323 -12.5323 -3.8509 -3.8509 3.5963 3.5963 3.6463 3.6463 3.6475 3.6475 5.0162 5.0162 5.0175 5.0175 5.1624 5.1624 7.5420 7.5420 7.5695 7.5695 7.5800 7.5800 10.2103 10.2103 10.2985 10.2985 10.6020 10.6020 10.6446 10.6446 10.6808 10.6808 11.1144 11.1144 k = 0.0000 0.0606-0.0000 ( 3927 PWs) bands (ev): -31.8829 -31.8829 -31.7990 -31.7990 -31.7983 -31.7983 -13.2523 -13.2523 -13.2512 -13.2512 -13.1307 -13.1307 -12.8860 -12.8860 -12.8852 -12.8852 -12.8096 -12.8096 -12.7426 -12.7426 -12.5355 -12.5355 -12.5327 -12.5327 -3.8456 -3.8456 3.6048 3.6048 3.6471 3.6471 3.6496 3.6496 5.0176 5.0176 5.0200 5.0200 5.1631 5.1631 7.5230 7.5230 7.5651 7.5651 7.5779 7.5779 10.1533 10.1533 10.3074 10.3074 10.5690 10.5690 10.6324 10.6324 10.6772 10.6772 11.1542 11.1542 k = 0.0000 0.0758-0.0000 ( 3935 PWs) bands (ev): -31.8826 -31.8826 -31.7993 -31.7993 -31.7983 -31.7983 -13.2520 -13.2520 -13.2502 -13.2502 -13.1305 -13.1305 -12.8862 -12.8862 -12.8849 -12.8849 -12.8099 -12.8099 -12.7430 -12.7430 -12.5377 -12.5377 -12.5334 -12.5334 -3.8388 -3.8388 3.6149 3.6149 3.6481 3.6481 3.6530 3.6530 5.0195 5.0195 5.0232 5.0232 5.1640 5.1640 7.4974 7.4974 7.5614 7.5614 7.5752 7.5752 10.0829 10.0829 10.3187 10.3187 10.5313 10.5313 10.6142 10.6142 10.6760 10.6760 11.1964 11.1964 k = 0.0000 0.0909-0.0000 ( 3935 PWs) bands (ev): -31.8821 -31.8821 -31.7998 -31.7998 -31.7983 -31.7983 -13.2516 -13.2516 -13.2490 -13.2490 -13.1303 -13.1303 -12.8863 -12.8863 -12.8844 -12.8844 -12.8103 -12.8103 -12.7435 -12.7435 -12.5403 -12.5403 -12.5341 -12.5341 -3.8305 -3.8305 3.6255 3.6255 3.6493 3.6493 3.6588 3.6588 5.0218 5.0218 5.0272 5.0272 5.1650 5.1650 7.4663 7.4663 7.5576 7.5576 7.5720 7.5720 10.0008 10.0008 10.3323 10.3323 10.4898 10.4898 10.5912 10.5912 10.6766 10.6766 11.2386 11.2386 k = 0.0000 0.1061-0.0000 ( 3939 PWs) bands (ev): -31.8815 -31.8815 -31.8004 -31.8004 -31.7983 -31.7983 -13.2512 -13.2512 -13.2476 -13.2476 -13.1300 -13.1300 -12.8865 -12.8865 -12.8839 -12.8839 -12.8108 -12.8108 -12.7441 -12.7441 -12.5434 -12.5434 -12.5350 -12.5350 -3.8210 -3.8210 3.6346 3.6346 3.6508 3.6508 3.6688 3.6688 5.0244 5.0244 5.0319 5.0319 5.1662 5.1662 7.4303 7.4303 7.5537 7.5537 7.5683 7.5683 9.9083 9.9083 10.3479 10.3479 10.4450 10.4450 10.5648 10.5648 10.6782 10.6782 11.2787 11.2787 k = 0.0000 0.1212-0.0000 ( 3939 PWs) bands (ev): -31.8809 -31.8809 -31.8010 -31.8010 -31.7983 -31.7983 -13.2506 -13.2506 -13.2459 -13.2459 -13.1297 -13.1297 -12.8868 -12.8868 -12.8833 -12.8833 -12.8113 -12.8113 -12.7446 -12.7446 -12.5469 -12.5469 -12.5360 -12.5360 -3.8102 -3.8102 3.6411 3.6411 3.6524 3.6524 3.6841 3.6841 5.0274 5.0274 5.0373 5.0373 5.1676 5.1676 7.3902 7.3902 7.5495 7.5495 7.5642 7.5642 9.8067 9.8067 10.3649 10.3649 10.3974 10.3974 10.5365 10.5365 10.6806 10.6806 11.3156 11.3156 k = 0.0000 0.1364-0.0000 ( 3951 PWs) bands (ev): -31.8802 -31.8802 -31.8017 -31.8017 -31.7983 -31.7983 -13.2501 -13.2501 -13.2441 -13.2441 -13.1294 -13.1294 -12.8871 -12.8871 -12.8827 -12.8827 -12.8119 -12.8119 -12.7452 -12.7452 -12.5509 -12.5509 -12.5371 -12.5371 -3.7982 -3.7982 3.6457 3.6457 3.6541 3.6541 3.7038 3.7038 5.0306 5.0306 5.0435 5.0435 5.1691 5.1691 7.3465 7.3465 7.5449 7.5449 7.5597 7.5597 9.6972 9.6972 10.3478 10.3478 10.3817 10.3817 10.5084 10.5084 10.6836 10.6836 11.3487 11.3487 k = 0.0000 0.1515-0.0000 ( 3943 PWs) bands (ev): -31.8794 -31.8794 -31.8024 -31.8024 -31.7982 -31.7982 -13.2494 -13.2494 -13.2420 -13.2420 -13.1291 -13.1291 -12.8874 -12.8874 -12.8819 -12.8819 -12.8125 -12.8125 -12.7458 -12.7458 -12.5551 -12.5551 -12.5383 -12.5383 -3.7851 -3.7851 3.6493 3.6493 3.6561 3.6561 3.7268 3.7268 5.0342 5.0342 5.0506 5.0506 5.1707 5.1707 7.3000 7.3000 7.5401 7.5401 7.5548 7.5548 9.5810 9.5810 10.2969 10.2969 10.3937 10.3937 10.4860 10.4860 10.6871 10.6871 11.3781 11.3781 k = 0.0000 0.1667-0.0000 ( 3964 PWs) bands (ev): -31.8786 -31.8786 -31.8033 -31.8033 -31.7982 -31.7982 -13.2487 -13.2487 -13.2398 -13.2398 -13.1289 -13.1289 -12.8879 -12.8879 -12.8810 -12.8810 -12.8132 -12.8132 -12.7464 -12.7464 -12.5599 -12.5599 -12.5397 -12.5397 -3.7711 -3.7711 3.6525 3.6525 3.6581 3.6581 3.7524 3.7524 5.0380 5.0380 5.0584 5.0584 5.1725 5.1725 7.2513 7.2513 7.5349 7.5349 7.5497 7.5497 9.4592 9.4592 10.2453 10.2453 10.3895 10.3895 10.4806 10.4806 10.6912 10.6912 11.4045 11.4045 k = 0.0000 0.1818-0.0000 ( 3964 PWs) bands (ev): -31.8776 -31.8776 -31.8042 -31.8042 -31.7982 -31.7982 -13.2480 -13.2480 -13.2374 -13.2374 -13.1287 -13.1287 -12.8884 -12.8884 -12.8801 -12.8801 -12.8140 -12.8140 -12.7468 -12.7468 -12.5648 -12.5648 -12.5411 -12.5411 -3.7562 -3.7562 3.6555 3.6555 3.6603 3.6603 3.7802 3.7802 5.0421 5.0421 5.0670 5.0670 5.1743 5.1743 7.2010 7.2010 7.5296 7.5296 7.5443 7.5443 9.3329 9.3329 10.1938 10.1938 10.3664 10.3664 10.4955 10.4955 10.6958 10.6958 11.4289 11.4289 k = 0.0000 0.1970-0.0000 ( 3956 PWs) bands (ev): -31.8766 -31.8766 -31.8052 -31.8052 -31.7982 -31.7982 -13.2472 -13.2472 -13.2347 -13.2347 -13.1284 -13.1284 -12.8889 -12.8889 -12.8790 -12.8790 -12.8149 -12.8149 -12.7472 -12.7472 -12.5701 -12.5701 -12.5425 -12.5425 -3.7406 -3.7406 3.6585 3.6585 3.6626 3.6626 3.8098 3.8098 5.0463 5.0463 5.0766 5.0766 5.1763 5.1763 7.1498 7.1498 7.5242 7.5242 7.5388 7.5388 9.2031 9.2031 10.1428 10.1428 10.3347 10.3347 10.5206 10.5206 10.7011 10.7011 11.4522 11.4522 k = 0.0000 0.2121-0.0000 ( 3960 PWs) bands (ev): -31.8756 -31.8756 -31.8062 -31.8062 -31.7982 -31.7982 -13.2464 -13.2464 -13.2319 -13.2319 -13.1283 -13.1283 -12.8895 -12.8895 -12.8780 -12.8780 -12.8158 -12.8158 -12.7474 -12.7474 -12.5757 -12.5757 -12.5440 -12.5440 -3.7243 -3.7243 3.6614 3.6614 3.6649 3.6649 3.8409 3.8409 5.0507 5.0507 5.0870 5.0870 5.1783 5.1783 7.0983 7.0983 7.5186 7.5186 7.5331 7.5331 9.0708 9.0708 10.0929 10.0929 10.2999 10.2999 10.5503 10.5503 10.7073 10.7073 11.4750 11.4750 k = 0.0000 0.2273-0.0000 ( 3964 PWs) bands (ev): -31.8745 -31.8745 -31.8073 -31.8073 -31.7982 -31.7982 -13.2457 -13.2457 -13.2289 -13.2289 -13.1282 -13.1282 -12.8902 -12.8902 -12.8768 -12.8768 -12.8168 -12.8168 -12.7475 -12.7475 -12.5815 -12.5815 -12.5456 -12.5456 -3.7077 -3.7077 3.6643 3.6643 3.6673 3.6673 3.8732 3.8732 5.0552 5.0552 5.0985 5.0985 5.1803 5.1803 7.0472 7.0472 7.5130 7.5130 7.5274 7.5274 8.9369 8.9369 10.0442 10.0442 10.2641 10.2641 10.5823 10.5823 10.7148 10.7148 11.4978 11.4978 k = 0.0000 0.2424-0.0000 ( 3972 PWs) bands (ev): -31.8733 -31.8733 -31.8084 -31.8084 -31.7982 -31.7982 -13.2449 -13.2449 -13.2259 -13.2259 -13.1282 -13.1282 -12.8910 -12.8910 -12.8755 -12.8755 -12.8178 -12.8178 -12.7474 -12.7474 -12.5876 -12.5876 -12.5472 -12.5472 -3.6907 -3.6907 3.6671 3.6671 3.6697 3.6697 3.9065 3.9065 5.0597 5.0597 5.1109 5.1109 5.1824 5.1824 6.9970 6.9970 7.5073 7.5073 7.5217 7.5217 8.8022 8.8022 9.9972 9.9972 10.2284 10.2284 10.6150 10.6150 10.7244 10.7244 11.5209 11.5209 k = 0.0000 0.2576-0.0000 ( 3972 PWs) bands (ev): -31.8721 -31.8721 -31.8096 -31.8096 -31.7982 -31.7982 -13.2440 -13.2440 -13.2226 -13.2226 -13.1283 -13.1283 -12.8918 -12.8918 -12.8742 -12.8742 -12.8190 -12.8190 -12.7471 -12.7471 -12.5938 -12.5938 -12.5488 -12.5488 -3.6736 -3.6736 3.6699 3.6699 3.6722 3.6722 3.9404 3.9404 5.0643 5.0643 5.1244 5.1244 5.1845 5.1845 6.9484 6.9484 7.5018 7.5018 7.5161 7.5161 8.6674 8.6674 9.9521 9.9521 10.1931 10.1931 10.6458 10.6458 10.7381 10.7381 11.5443 11.5443 k = 0.0000 0.2727-0.0000 ( 3984 PWs) bands (ev): -31.8708 -31.8708 -31.8109 -31.8109 -31.7982 -31.7982 -13.2433 -13.2433 -13.2193 -13.2193 -13.1285 -13.1285 -12.8928 -12.8928 -12.8728 -12.8728 -12.8202 -12.8202 -12.7466 -12.7466 -12.6001 -12.6001 -12.5504 -12.5504 -3.6564 -3.6564 3.6726 3.6726 3.6746 3.6746 3.9745 3.9745 5.0689 5.0689 5.1390 5.1390 5.1866 5.1866 6.9020 6.9020 7.4963 7.4963 7.5106 7.5106 8.5332 8.5332 9.9089 9.9089 10.1586 10.1586 10.6715 10.6715 10.7590 10.7590 11.5681 11.5681 k = 0.0000 0.2879-0.0000 ( 3988 PWs) bands (ev): -31.8695 -31.8695 -31.8122 -31.8122 -31.7981 -31.7981 -13.2425 -13.2425 -13.2158 -13.2158 -13.1289 -13.1289 -12.8938 -12.8938 -12.8713 -12.8713 -12.8215 -12.8215 -12.7459 -12.7459 -12.6066 -12.6066 -12.5520 -12.5520 -3.6395 -3.6395 3.6753 3.6753 3.6770 3.6770 4.0084 4.0084 5.0734 5.0734 5.1548 5.1548 5.1886 5.1886 6.8584 6.8584 7.4909 7.4909 7.5052 7.5052 8.4003 8.4003 9.8679 9.8679 10.1254 10.1254 10.6900 10.6900 10.7888 10.7888 11.5922 11.5922 k = 0.0000 0.3030-0.0000 ( 3988 PWs) bands (ev): -31.8682 -31.8682 -31.8135 -31.8135 -31.7981 -31.7981 -13.2417 -13.2417 -13.2123 -13.2123 -13.1293 -13.1293 -12.8948 -12.8948 -12.8698 -12.8698 -12.8228 -12.8228 -12.7448 -12.7448 -12.6132 -12.6132 -12.5535 -12.5535 -3.6228 -3.6228 3.6779 3.6779 3.6793 3.6793 4.0419 4.0419 5.0778 5.0778 5.1716 5.1716 5.1907 5.1907 6.8181 6.8181 7.4858 7.4858 7.5000 7.5000 8.2692 8.2692 9.8293 9.8293 10.0936 10.0936 10.7026 10.7026 10.8258 10.8258 11.6164 11.6164 k = 0.0000 0.3182-0.0000 ( 3988 PWs) bands (ev): -31.8669 -31.8669 -31.8148 -31.8148 -31.7981 -31.7981 -13.2410 -13.2410 -13.2087 -13.2087 -13.1299 -13.1299 -12.8958 -12.8958 -12.8682 -12.8682 -12.8243 -12.8243 -12.7435 -12.7435 -12.6197 -12.6197 -12.5550 -12.5550 -3.6066 -3.6066 3.6803 3.6803 3.6815 3.6815 4.0745 4.0745 5.0821 5.0821 5.1896 5.1896 5.1926 5.1926 6.7817 6.7817 7.4809 7.4809 7.4951 7.4951 8.1404 8.1404 9.7931 9.7931 10.0633 10.0633 10.7117 10.7117 10.8673 10.8673 11.6407 11.6407 k = 0.0000 0.3333-0.0000 ( 3988 PWs) bands (ev): -31.8655 -31.8655 -31.8161 -31.8161 -31.7981 -31.7981 -13.2402 -13.2402 -13.2050 -13.2050 -13.1306 -13.1306 -12.8969 -12.8969 -12.8665 -12.8665 -12.8257 -12.8257 -12.7419 -12.7419 -12.6263 -12.6263 -12.5565 -12.5565 -3.5910 -3.5910 3.6826 3.6826 3.6837 3.6837 4.1058 4.1058 5.0862 5.0862 5.1945 5.1945 5.2086 5.2086 6.7499 6.7499 7.4762 7.4762 7.4905 7.4905 8.0145 8.0145 9.7594 9.7594 10.0349 10.0349 10.7189 10.7189 10.9111 10.9112 11.6646 11.6646 k = 0.0000 0.3485-0.0000 ( 3988 PWs) bands (ev): -31.8641 -31.8641 -31.8175 -31.8175 -31.7981 -31.7981 -13.2396 -13.2396 -13.2013 -13.2013 -13.1315 -13.1315 -12.8980 -12.8980 -12.8648 -12.8648 -12.8273 -12.8273 -12.7400 -12.7400 -12.6329 -12.6329 -12.5578 -12.5578 -3.5762 -3.5762 3.6847 3.6847 3.6857 3.6857 4.1354 4.1354 5.0900 5.0900 5.1962 5.1962 5.2283 5.2283 6.7231 6.7231 7.4718 7.4718 7.4861 7.4861 7.8921 7.8921 9.7284 9.7284 10.0085 10.0085 10.7249 10.7249 10.9562 10.9562 11.6880 11.6880 k = 0.0000 0.3636-0.0000 ( 3980 PWs) bands (ev): -31.8628 -31.8628 -31.8188 -31.8188 -31.7981 -31.7981 -13.2389 -13.2389 -13.1975 -13.1975 -13.1326 -13.1326 -12.8991 -12.8991 -12.8629 -12.8629 -12.8288 -12.8288 -12.7378 -12.7378 -12.6395 -12.6395 -12.5591 -12.5591 -3.5623 -3.5623 3.6867 3.6867 3.6876 3.6876 4.1631 4.1631 5.0937 5.0937 5.1979 5.1979 5.2486 5.2486 6.7019 6.7019 7.4678 7.4678 7.4821 7.4821 7.7738 7.7738 9.7000 9.7000 9.9842 9.9842 10.7301 10.7301 11.0015 11.0015 11.7106 11.7106 k = 0.0000 0.3788-0.0000 ( 3996 PWs) bands (ev): -31.8615 -31.8615 -31.8201 -31.8201 -31.7981 -31.7981 -13.2384 -13.2384 -13.1939 -13.1939 -13.1339 -13.1339 -12.9002 -12.9002 -12.8611 -12.8611 -12.8305 -12.8305 -12.7353 -12.7353 -12.6459 -12.6459 -12.5603 -12.5603 -3.5494 -3.5494 3.6885 3.6885 3.6893 3.6893 4.1884 4.1884 5.0970 5.0970 5.1994 5.1994 5.2691 5.2691 6.6867 6.6867 7.4640 7.4640 7.4784 7.4784 7.6601 7.6601 9.6744 9.6744 9.9620 9.9620 10.7347 10.7347 11.0461 11.0461 11.7320 11.7320 k = 0.0000 0.3939-0.0000 ( 4004 PWs) bands (ev): -31.8602 -31.8602 -31.8213 -31.8213 -31.7981 -31.7981 -13.2379 -13.2379 -13.1903 -13.1903 -13.1352 -13.1352 -12.9012 -12.9012 -12.8593 -12.8593 -12.8323 -12.8323 -12.7326 -12.7326 -12.6522 -12.6522 -12.5614 -12.5614 -3.5377 -3.5377 3.6901 3.6901 3.6909 3.6909 4.2112 4.2112 5.1000 5.1000 5.2008 5.2008 5.2893 5.2893 6.6780 6.6780 7.4603 7.4603 7.4752 7.4752 7.5521 7.5521 9.6517 9.6517 9.9422 9.9422 10.7387 10.7387 11.0892 11.0892 11.7520 11.7520 k = 0.0000 0.4091-0.0000 ( 4012 PWs) bands (ev): -31.8591 -31.8591 -31.8225 -31.8225 -31.7981 -31.7981 -13.2375 -13.2375 -13.1869 -13.1869 -13.1367 -13.1367 -12.9021 -12.9021 -12.8574 -12.8574 -12.8340 -12.8340 -12.7297 -12.7297 -12.6584 -12.6584 -12.5624 -12.5624 -3.5274 -3.5274 3.6915 3.6915 3.6923 3.6923 4.2312 4.2312 5.1027 5.1027 5.2020 5.2020 5.3086 5.3086 6.6760 6.6760 7.4443 7.4443 7.4630 7.4630 7.4723 7.4723 9.6319 9.6319 9.9249 9.9249 10.7421 10.7421 11.1298 11.1298 11.7702 11.7702 k = 0.0000 0.4242-0.0000 ( 4008 PWs) bands (ev): -31.8580 -31.8580 -31.8236 -31.8236 -31.7981 -31.7981 -13.2371 -13.2371 -13.1836 -13.1836 -13.1382 -13.1382 -12.9029 -12.9029 -12.8555 -12.8555 -12.8358 -12.8358 -12.7265 -12.7265 -12.6641 -12.6641 -12.5632 -12.5632 -3.5184 -3.5184 3.6927 3.6927 3.6935 3.6935 4.2482 4.2482 5.1050 5.1050 5.2031 5.2031 5.3265 5.3265 6.6808 6.6808 7.3533 7.3533 7.4564 7.4564 7.4698 7.4698 9.6151 9.6151 9.9101 9.9101 10.7451 10.7451 11.1669 11.1669 11.7864 11.7864 k = 0.0000 0.4394-0.0000 ( 3992 PWs) bands (ev): -31.8570 -31.8570 -31.8245 -31.8245 -31.7981 -31.7981 -13.2367 -13.2367 -13.1807 -13.1807 -13.1397 -13.1397 -12.9035 -12.9035 -12.8535 -12.8535 -12.8376 -12.8376 -12.7233 -12.7233 -12.6695 -12.6695 -12.5639 -12.5639 -3.5109 -3.5109 3.6937 3.6937 3.6945 3.6945 4.2623 4.2623 5.1070 5.1070 5.2040 5.2040 5.3422 5.3422 6.6919 6.6919 7.2671 7.2671 7.4541 7.4541 7.4679 7.4679 9.6013 9.6013 9.8980 9.8980 10.7475 10.7475 11.1994 11.1994 11.8001 11.8001 k = 0.0000 0.4545-0.0000 ( 3992 PWs) bands (ev): -31.8562 -31.8562 -31.8253 -31.8253 -31.7981 -31.7981 -13.2364 -13.2364 -13.1781 -13.1781 -13.1411 -13.1411 -12.9040 -12.9040 -12.8516 -12.8516 -12.8395 -12.8395 -12.7202 -12.7202 -12.6743 -12.6743 -12.5644 -12.5644 -3.5050 -3.5050 3.6945 3.6945 3.6952 3.6952 4.2733 4.2733 5.1085 5.1085 5.2047 5.2047 5.3553 5.3553 6.7080 6.7080 7.1915 7.1915 7.4524 7.4524 7.4663 7.4663 9.5905 9.5905 9.8884 9.8884 10.7495 10.7495 11.2263 11.2263 11.8111 11.8111 k = 0.0000 0.4697-0.0000 ( 3980 PWs) bands (ev): -31.8556 -31.8556 -31.8259 -31.8259 -31.7980 -31.7980 -13.2361 -13.2361 -13.1761 -13.1761 -13.1423 -13.1423 -12.9044 -12.9044 -12.8495 -12.8495 -12.8413 -12.8413 -12.7174 -12.7174 -12.6783 -12.6783 -12.5649 -12.5649 -3.5008 -3.5008 3.6950 3.6950 3.6958 3.6958 4.2811 4.2811 5.1096 5.1096 5.2052 5.2052 5.3650 5.3650 6.7265 6.7265 7.1299 7.1299 7.4512 7.4512 7.4651 7.4651 9.5829 9.5829 9.8817 9.8817 10.7508 10.7508 11.2464 11.2464 11.8192 11.8192 k = 0.0000 0.4848-0.0000 ( 3980 PWs) bands (ev): -31.8552 -31.8552 -31.8263 -31.8263 -31.7980 -31.7980 -13.2360 -13.2360 -13.1749 -13.1749 -13.1431 -13.1431 -12.9046 -12.9046 -12.8477 -12.8477 -12.8430 -12.8430 -12.7155 -12.7155 -12.6810 -12.6810 -12.5651 -12.5651 -3.4982 -3.4982 3.6953 3.6953 3.6961 3.6961 4.2858 4.2858 5.1102 5.1102 5.2055 5.2055 5.3710 5.3710 6.7423 6.7423 7.0881 7.0881 7.4505 7.4505 7.4645 7.4645 9.5782 9.5782 9.8775 9.8775 10.7517 10.7517 11.2588 11.2588 11.8241 11.8241 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -31.8551 -31.8551 -31.8264 -31.8264 -31.7980 -31.7980 -13.2360 -13.2360 -13.1744 -13.1744 -13.1434 -13.1434 -12.9047 -12.9047 -12.8466 -12.8466 -12.8441 -12.8441 -12.7147 -12.7147 -12.6820 -12.6820 -12.5652 -12.5652 -3.4973 -3.4973 3.6955 3.6955 3.6963 3.6963 4.2874 4.2874 5.1104 5.1104 5.2056 5.2056 5.3730 5.3730 6.7487 6.7487 7.0728 7.0728 7.4503 7.4503 7.4642 7.4642 9.5767 9.5767 9.8762 9.8762 10.7519 10.7519 11.2630 11.2630 11.8257 11.8257 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -31.8551 -31.8551 -31.8264 -31.8264 -31.7980 -31.7980 -13.2360 -13.2360 -13.1744 -13.1744 -13.1434 -13.1434 -12.9047 -12.9047 -12.8466 -12.8466 -12.8441 -12.8441 -12.7147 -12.7147 -12.6820 -12.6820 -12.5652 -12.5652 -3.4973 -3.4973 3.6955 3.6955 3.6963 3.6963 4.2874 4.2874 5.1104 5.1104 5.2056 5.2056 5.3730 5.3730 6.7487 6.7487 7.0728 7.0728 7.4503 7.4503 7.4642 7.4642 9.5767 9.5767 9.8762 9.8762 10.7519 10.7519 11.2630 11.2630 11.8257 11.8257 k = 0.0152 0.5000-0.0000 ( 3980 PWs) bands (ev): -31.8551 -31.8551 -31.8264 -31.8264 -31.7981 -31.7981 -13.2359 -13.2359 -13.1746 -13.1746 -13.1433 -13.1433 -12.9048 -12.9048 -12.8488 -12.8488 -12.8418 -12.8418 -12.7159 -12.7159 -12.6810 -12.6810 -12.5651 -12.5651 -3.4966 -3.4966 3.6957 3.6957 3.6964 3.6964 4.2882 4.2882 5.1107 5.1107 5.2055 5.2055 5.3729 5.3729 6.7473 6.7473 7.0694 7.0694 7.4507 7.4507 7.4650 7.4650 9.5751 9.5751 9.8747 9.8747 10.7541 10.7541 11.2636 11.2636 11.8260 11.8260 k = 0.0303 0.5000-0.0000 ( 3984 PWs) bands (ev): -31.8550 -31.8550 -31.8264 -31.8264 -31.7982 -31.7982 -13.2359 -13.2359 -13.1753 -13.1753 -13.1431 -13.1431 -12.9049 -12.9049 -12.8519 -12.8519 -12.8385 -12.8385 -12.7191 -12.7191 -12.6783 -12.6783 -12.5647 -12.5647 -3.4944 -3.4944 3.6964 3.6964 3.6969 3.6969 4.2909 4.2909 5.1114 5.1114 5.2052 5.2052 5.3726 5.3726 6.7431 6.7431 7.0591 7.0591 7.4504 7.4504 7.4688 7.4688 9.5705 9.5705 9.8703 9.8703 10.7607 10.7607 11.2654 11.2654 11.8267 11.8267 k = 0.0455 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8548 -31.8548 -31.8264 -31.8264 -31.7983 -31.7983 -13.2358 -13.2358 -13.1764 -13.1764 -13.1429 -13.1429 -12.9051 -12.9051 -12.8548 -12.8548 -12.8351 -12.8351 -12.7236 -12.7236 -12.6746 -12.6746 -12.5642 -12.5642 -3.4908 -3.4908 3.6970 3.6970 3.6983 3.6983 4.2952 4.2952 5.1126 5.1126 5.2048 5.2048 5.3721 5.3721 6.7360 6.7360 7.0422 7.0422 7.4475 7.4475 7.4775 7.4775 9.5625 9.5625 9.8634 9.8634 10.7716 10.7716 11.2685 11.2685 11.8279 11.8279 k = 0.0606 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8546 -31.8546 -31.8264 -31.8264 -31.7986 -31.7986 -13.2356 -13.2356 -13.1778 -13.1778 -13.1426 -13.1426 -12.9053 -12.9053 -12.8577 -12.8577 -12.8317 -12.8317 -12.7287 -12.7287 -12.6707 -12.6707 -12.5634 -12.5634 -3.4857 -3.4857 3.6977 3.6977 3.7003 3.7003 4.3014 4.3014 5.1142 5.1142 5.2043 5.2043 5.3715 5.3715 6.7262 6.7262 7.0193 7.0193 7.4421 7.4421 7.4906 7.4906 9.5508 9.5508 9.8543 9.8543 10.7867 10.7867 11.2729 11.2729 11.8293 11.8293 k = 0.0758 0.5000-0.0000 ( 4006 PWs) bands (ev): -31.8543 -31.8543 -31.8264 -31.8264 -31.7989 -31.7989 -13.2354 -13.2354 -13.1796 -13.1796 -13.1423 -13.1423 -12.9055 -12.9055 -12.8604 -12.8604 -12.8283 -12.8283 -12.7341 -12.7341 -12.6667 -12.6667 -12.5624 -12.5624 -3.4792 -3.4792 3.6986 3.6986 3.7027 3.7027 4.3094 4.3094 5.1163 5.1163 5.2036 5.2036 5.3706 5.3706 6.7137 6.7137 6.9907 6.9907 7.4347 7.4347 7.5074 7.5074 9.5350 9.5350 9.8436 9.8436 10.8059 10.8059 11.2787 11.2787 11.8310 11.8310 k = 0.0909 0.5000-0.0000 ( 4006 PWs) bands (ev): -31.8539 -31.8539 -31.8264 -31.8264 -31.7992 -31.7992 -13.2351 -13.2351 -13.1815 -13.1815 -13.1421 -13.1421 -12.9058 -12.9058 -12.8629 -12.8629 -12.8249 -12.8249 -12.7396 -12.7396 -12.6630 -12.6630 -12.5610 -12.5610 -3.4714 -3.4714 3.6996 3.6996 3.7056 3.7056 4.3192 4.3192 5.1189 5.1189 5.2028 5.2028 5.3696 5.3696 6.6986 6.6986 6.9569 6.9569 7.4257 7.4257 7.5275 7.5275 9.5147 9.5147 9.8321 9.8321 10.8291 10.8291 11.2860 11.2860 11.8327 11.8327 k = 0.1061 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8535 -31.8535 -31.8264 -31.8264 -31.7996 -31.7996 -13.2346 -13.2346 -13.1837 -13.1837 -13.1420 -13.1420 -12.9061 -12.9061 -12.8652 -12.8652 -12.8217 -12.8217 -12.7450 -12.7450 -12.6595 -12.6595 -12.5594 -12.5594 -3.4624 -3.4624 3.7008 3.7008 3.7089 3.7089 4.3310 4.3310 5.1218 5.1218 5.2019 5.2019 5.3685 5.3685 6.6810 6.6810 6.9185 6.9185 7.4153 7.4153 7.5506 7.5506 9.4893 9.4893 9.8204 9.8204 10.8561 10.8561 11.2949 11.2949 11.8343 11.8343 k = 0.1212 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8530 -31.8530 -31.8264 -31.8264 -31.8001 -31.8001 -13.2342 -13.2342 -13.1861 -13.1861 -13.1419 -13.1419 -12.9064 -12.9064 -12.8674 -12.8674 -12.8187 -12.8187 -12.7501 -12.7501 -12.6566 -12.6566 -12.5575 -12.5575 -3.4521 -3.4521 3.7022 3.7022 3.7123 3.7123 4.3448 4.3448 5.1252 5.1252 5.2009 5.2009 5.3673 5.3673 6.6609 6.6609 6.8760 6.8760 7.4037 7.4037 7.5765 7.5765 9.4587 9.4587 9.8091 9.8091 10.8868 10.8868 11.3055 11.3055 11.8356 11.8356 k = 0.1364 0.5000-0.0000 ( 3998 PWs) bands (ev): -31.8525 -31.8525 -31.8264 -31.8264 -31.8006 -31.8006 -13.2338 -13.2338 -13.1886 -13.1886 -13.1420 -13.1420 -12.9067 -12.9067 -12.8695 -12.8695 -12.8162 -12.8162 -12.7547 -12.7547 -12.6541 -12.6541 -12.5553 -12.5553 -3.4407 -3.4407 3.7037 3.7037 3.7160 3.7160 4.3605 4.3605 5.1289 5.1289 5.1999 5.1999 5.3659 5.3659 6.6385 6.6385 6.8298 6.8298 7.3908 7.3908 7.6049 7.6049 9.4228 9.4228 9.7985 9.7985 10.9209 10.9209 11.3178 11.3178 11.8364 11.8364 k = 0.1515 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8519 -31.8519 -31.8263 -31.8263 -31.8012 -31.8012 -13.2333 -13.2333 -13.1911 -13.1911 -13.1423 -13.1423 -12.9070 -12.9070 -12.8713 -12.8713 -12.8141 -12.8141 -12.7588 -12.7588 -12.6521 -12.6521 -12.5527 -12.5527 -3.4283 -3.4283 3.7053 3.7053 3.7197 3.7197 4.3784 4.3784 5.1330 5.1330 5.1988 5.1988 5.3646 5.3646 6.6139 6.6139 6.7804 6.7804 7.3771 7.3771 7.6358 7.6358 9.3819 9.3819 9.7890 9.7890 10.9582 10.9582 11.3318 11.3318 11.8366 11.8366 k = 0.1667 0.5000-0.0000 ( 3996 PWs) bands (ev): -31.8512 -31.8512 -31.8263 -31.8263 -31.8018 -31.8018 -13.2329 -13.2329 -13.1937 -13.1937 -13.1427 -13.1427 -12.9073 -12.9073 -12.8731 -12.8731 -12.8128 -12.8128 -12.7620 -12.7620 -12.6507 -12.6507 -12.5499 -12.5499 -3.4150 -3.4150 3.7070 3.7070 3.7235 3.7235 4.3983 4.3983 5.1374 5.1374 5.1977 5.1977 5.3632 5.3632 6.5871 6.5871 6.7285 6.7285 7.3626 7.3626 7.6688 7.6688 9.3364 9.3364 9.7805 9.7805 10.9985 10.9985 11.3475 11.3475 11.8358 11.8358 k = 0.1818 0.5000-0.0000 ( 3990 PWs) bands (ev): -31.8505 -31.8505 -31.8263 -31.8263 -31.8025 -31.8025 -13.2324 -13.2324 -13.1963 -13.1963 -13.1433 -13.1433 -12.9076 -12.9076 -12.8746 -12.8746 -12.8123 -12.8123 -12.7642 -12.7642 -12.6497 -12.6497 -12.5469 -12.5469 -3.4009 -3.4009 3.7089 3.7089 3.7271 3.7271 4.4202 4.4202 5.1421 5.1421 5.1968 5.1968 5.3618 5.3618 6.5583 6.5583 6.6744 6.6744 7.3475 7.3475 7.7039 7.7039 9.2869 9.2869 9.7731 9.7731 11.0415 11.0415 11.3647 11.3647 11.8341 11.8341 k = 0.1970 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8497 -31.8497 -31.8263 -31.8263 -31.8032 -31.8032 -13.2319 -13.2319 -13.1988 -13.1988 -13.1440 -13.1440 -12.9078 -12.9078 -12.8760 -12.8760 -12.8127 -12.8127 -12.7653 -12.7653 -12.6492 -12.6492 -12.5436 -12.5436 -3.3860 -3.3860 3.7107 3.7107 3.7307 3.7307 4.4442 4.4442 5.1470 5.1470 5.1960 5.1960 5.3604 5.3604 6.5274 6.5274 6.6189 6.6189 7.3319 7.3319 7.7407 7.7407 9.2342 9.2342 9.7666 9.7666 11.0870 11.0870 11.3835 11.3835 11.8312 11.8312 k = 0.2121 0.5000-0.0000 ( 3984 PWs) bands (ev): -31.8489 -31.8489 -31.8263 -31.8263 -31.8040 -31.8040 -13.2315 -13.2315 -13.2012 -13.2012 -13.1450 -13.1450 -12.9080 -12.9080 -12.8773 -12.8773 -12.8140 -12.8140 -12.7654 -12.7654 -12.6492 -12.6492 -12.5403 -12.5403 -3.3706 -3.3706 3.7127 3.7127 3.7340 3.7340 4.4703 4.4703 5.1519 5.1519 5.1954 5.1954 5.3590 5.3590 6.4947 6.4947 6.5624 6.5624 7.3160 7.3160 7.7791 7.7791 9.1788 9.1788 9.7610 9.7610 11.1346 11.1346 11.4037 11.4037 11.8272 11.8272 k = 0.2273 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8480 -31.8480 -31.8263 -31.8263 -31.8049 -31.8049 -13.2312 -13.2312 -13.2034 -13.2034 -13.1461 -13.1461 -12.9081 -12.9081 -12.8784 -12.8784 -12.8161 -12.8161 -12.7646 -12.7646 -12.6495 -12.6495 -12.5368 -12.5368 -3.3547 -3.3547 3.7147 3.7147 3.7372 3.7372 4.4982 4.4982 5.1568 5.1568 5.1953 5.1953 5.3577 5.3577 6.4597 6.4597 6.5059 6.5059 7.3000 7.3000 7.8188 7.8188 9.1217 9.1217 9.7560 9.7560 11.1841 11.1841 11.4251 11.4251 11.8222 11.8222 k = 0.2424 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8471 -31.8471 -31.8263 -31.8263 -31.8058 -31.8058 -13.2311 -13.2311 -13.2055 -13.2055 -13.1474 -13.1474 -12.9082 -12.9082 -12.8794 -12.8794 -12.8187 -12.8187 -12.7632 -12.7632 -12.6501 -12.6501 -12.5333 -12.5333 -3.3386 -3.3386 3.7167 3.7167 3.7401 3.7401 4.5280 4.5280 5.1614 5.1614 5.1959 5.1959 5.3564 5.3564 6.4217 6.4217 6.4507 6.4507 7.2840 7.2840 7.8595 7.8595 9.0636 9.0636 9.7516 9.7516 11.2352 11.2352 11.4476 11.4476 11.8161 11.8161 k = 0.2576 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8461 -31.8461 -31.8262 -31.8262 -31.8067 -31.8067 -13.2311 -13.2311 -13.2072 -13.2072 -13.1489 -13.1489 -12.9084 -12.9084 -12.8803 -12.8803 -12.8217 -12.8217 -12.7612 -12.7612 -12.6511 -12.6511 -12.5298 -12.5298 -3.3223 -3.3223 3.7187 3.7187 3.7428 3.7428 4.5594 4.5594 5.1654 5.1654 5.1975 5.1975 5.3552 5.3552 6.3776 6.3776 6.4008 6.4008 7.2681 7.2681 7.9009 7.9009 9.0051 9.0051 9.7477 9.7477 11.2876 11.2876 11.4710 11.4710 11.8091 11.8091 k = 0.2727 0.5000-0.0000 ( 3994 PWs) bands (ev): -31.8451 -31.8451 -31.8262 -31.8262 -31.8077 -31.8077 -13.2314 -13.2314 -13.2086 -13.2086 -13.1505 -13.1505 -12.9084 -12.9084 -12.8810 -12.8810 -12.8248 -12.8248 -12.7590 -12.7590 -12.6522 -12.6522 -12.5264 -12.5264 -3.3059 -3.3059 3.7207 3.7207 3.7452 3.7452 4.5923 4.5923 5.1685 5.1685 5.2005 5.2005 5.3541 5.3541 6.3262 6.3262 6.3576 6.3576 7.2526 7.2526 7.9425 7.9425 8.9471 8.9471 9.7443 9.7443 11.3408 11.3408 11.4951 11.4951 11.8016 11.8016 k = 0.2879 0.5000-0.0000 ( 3992 PWs) bands (ev): -31.8440 -31.8440 -31.8262 -31.8262 -31.8088 -31.8088 -13.2319 -13.2319 -13.2096 -13.2096 -13.1522 -13.1522 -12.9085 -12.9085 -12.8815 -12.8815 -12.8279 -12.8279 -12.7566 -12.7566 -12.6535 -12.6535 -12.5230 -12.5230 -3.2897 -3.2897 3.7227 3.7227 3.7473 3.7473 4.6265 4.6265 5.1705 5.1705 5.2051 5.2051 5.3531 5.3531 6.2728 6.2728 6.3166 6.3166 7.2374 7.2374 7.9839 7.9839 8.8903 8.8903 9.7412 9.7412 11.3947 11.3947 11.5197 11.5197 11.7937 11.7937 k = 0.3030 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8429 -31.8429 -31.8262 -31.8262 -31.8098 -31.8098 -13.2327 -13.2327 -13.2101 -13.2101 -13.1540 -13.1540 -12.9086 -12.9086 -12.8819 -12.8819 -12.8309 -12.8309 -12.7541 -12.7541 -12.6550 -12.6550 -12.5197 -12.5197 -3.2738 -3.2738 3.7246 3.7246 3.7492 3.7492 4.6616 4.6616 5.1717 5.1717 5.2111 5.2111 5.3522 5.3522 6.2201 6.2201 6.2757 6.2757 7.2228 7.2228 8.0248 8.0248 8.8353 8.8353 9.7384 9.7384 11.4485 11.4485 11.5447 11.5447 11.7856 11.7856 k = 0.3182 0.5000-0.0000 ( 3992 PWs) bands (ev): -31.8418 -31.8418 -31.8262 -31.8262 -31.8109 -31.8109 -13.2337 -13.2337 -13.2103 -13.2103 -13.1559 -13.1559 -12.9087 -12.9087 -12.8820 -12.8820 -12.8339 -12.8339 -12.7516 -12.7516 -12.6565 -12.6565 -12.5166 -12.5166 -3.2583 -3.2583 3.7264 3.7264 3.7508 3.7508 4.6974 4.6974 5.1722 5.1722 5.2184 5.2184 5.3514 5.3514 6.1691 6.1691 6.2344 6.2344 7.2088 7.2088 8.0645 8.0645 8.7829 8.7829 9.7359 9.7359 11.5016 11.5016 11.5700 11.5700 11.7779 11.7779 k = 0.3333 0.5000-0.0000 ( 4000 PWs) bands (ev): -31.8406 -31.8406 -31.8262 -31.8262 -31.8121 -31.8121 -13.2350 -13.2350 -13.2102 -13.2102 -13.1579 -13.1579 -12.9088 -12.9088 -12.8821 -12.8821 -12.8367 -12.8367 -12.7492 -12.7492 -12.6582 -12.6582 -12.5137 -12.5137 -3.2434 -3.2434 3.7281 3.7281 3.7523 3.7523 4.7334 4.7334 5.1724 5.1724 5.2268 5.2268 5.3508 5.3508 6.1205 6.1205 6.1926 6.1926 7.1956 7.1956 8.1024 8.1024 8.7337 8.7337 9.7336 9.7336 11.5529 11.5529 11.5963 11.5963 11.7706 11.7706 k = 0.3485 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8394 -31.8394 -31.8262 -31.8262 -31.8133 -31.8133 -13.2362 -13.2362 -13.2097 -13.2097 -13.1599 -13.1599 -12.9089 -12.9089 -12.8819 -12.8819 -12.8394 -12.8394 -12.7469 -12.7469 -12.6598 -12.6598 -12.5110 -12.5110 -3.2292 -3.2292 3.7298 3.7298 3.7535 3.7535 4.7691 4.7691 5.1723 5.1723 5.2364 5.2364 5.3502 5.3502 6.0747 6.0747 6.1505 6.1505 7.1832 7.1832 8.1378 8.1378 8.6886 8.6886 9.7317 9.7317 11.5982 11.5982 11.6268 11.6268 11.7640 11.7640 k = 0.3636 0.5000-0.0000 ( 3982 PWs) bands (ev): -31.8382 -31.8382 -31.8261 -31.8261 -31.8145 -31.8145 -13.2375 -13.2375 -13.2090 -13.2090 -13.1619 -13.1619 -12.9091 -12.9091 -12.8817 -12.8817 -12.8418 -12.8418 -12.7447 -12.7447 -12.6614 -12.6614 -12.5084 -12.5084 -3.2159 -3.2159 3.7313 3.7313 3.7545 3.7545 4.8040 4.8040 5.1722 5.1722 5.2471 5.2471 5.3497 5.3497 6.0320 6.0320 6.1085 6.1085 7.1717 7.1717 8.1700 8.1700 8.6483 8.6483 9.7299 9.7299 11.6304 11.6304 11.6677 11.6677 11.7585 11.7585 k = 0.3788 0.5000-0.0000 ( 3986 PWs) bands (ev): -31.8369 -31.8369 -31.8261 -31.8261 -31.8157 -31.8157 -13.2389 -13.2389 -13.2082 -13.2082 -13.1640 -13.1640 -12.9093 -12.9093 -12.8813 -12.8813 -12.8441 -12.8441 -12.7427 -12.7427 -12.6629 -12.6629 -12.5061 -12.5061 -3.2036 -3.2036 3.7327 3.7327 3.7554 3.7554 4.8375 4.8375 5.1720 5.1720 5.2590 5.2590 5.3493 5.3493 5.9928 5.9928 6.0669 6.0669 7.1613 7.1613 8.1981 8.1981 8.6135 8.6135 9.7284 9.7284 11.6545 11.6545 11.7131 11.7131 11.7541 11.7541 k = 0.3939 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8356 -31.8356 -31.8261 -31.8261 -31.8170 -31.8170 -13.2401 -13.2401 -13.2073 -13.2073 -13.1659 -13.1659 -12.9095 -12.9095 -12.8808 -12.8808 -12.8463 -12.8463 -12.7409 -12.7409 -12.6644 -12.6644 -12.5041 -12.5041 -3.1924 -3.1924 3.7339 3.7339 3.7561 3.7561 4.8688 4.8688 5.1719 5.1719 5.2722 5.2722 5.3491 5.3491 5.9572 5.9572 6.0263 6.0263 7.1519 7.1519 8.2213 8.2213 8.5850 8.5850 9.7271 9.7271 11.6753 11.6753 11.7500 11.7500 11.7581 11.7581 k = 0.4091 0.5000-0.0000 ( 3988 PWs) bands (ev): -31.8343 -31.8343 -31.8261 -31.8261 -31.8183 -31.8183 -13.2412 -13.2412 -13.2064 -13.2064 -13.1678 -13.1678 -12.9097 -12.9097 -12.8802 -12.8802 -12.8482 -12.8482 -12.7393 -12.7393 -12.6657 -12.6657 -12.5023 -12.5023 -3.1825 -3.1825 3.7350 3.7350 3.7567 3.7567 4.8973 4.8973 5.1718 5.1718 5.2865 5.2865 5.3489 5.3489 5.9256 5.9256 5.9872 5.9872 7.1437 7.1437 8.2389 8.2389 8.5634 8.5634 9.7260 9.7260 11.6937 11.6937 11.7486 11.7486 11.7984 11.7984 k = 0.4242 0.5000-0.0000 ( 3992 PWs) bands (ev): -31.8330 -31.8330 -31.8261 -31.8261 -31.8196 -31.8196 -13.2422 -13.2422 -13.2054 -13.2054 -13.1696 -13.1696 -12.9099 -12.9099 -12.8796 -12.8796 -12.8498 -12.8498 -12.7379 -12.7379 -12.6669 -12.6669 -12.5007 -12.5007 -3.1739 -3.1739 3.7360 3.7360 3.7572 3.7572 4.9222 4.9222 5.1717 5.1717 5.3016 5.3016 5.3489 5.3489 5.8980 5.8980 5.9508 5.9508 7.1366 7.1366 8.2508 8.2508 8.5484 8.5484 9.7251 9.7251 11.7097 11.7097 11.7477 11.7477 11.8348 11.8348 k = 0.4394 0.5000-0.0000 ( 3996 PWs) bands (ev): -31.8317 -31.8317 -31.8261 -31.8261 -31.8209 -31.8209 -13.2431 -13.2431 -13.2045 -13.2045 -13.1711 -13.1711 -12.9101 -12.9101 -12.8790 -12.8790 -12.8513 -12.8513 -12.7367 -12.7367 -12.6679 -12.6679 -12.4995 -12.4995 -3.1667 -3.1667 3.7367 3.7367 3.7576 3.7576 4.9432 4.9432 5.1717 5.1717 5.3168 5.3168 5.3491 5.3491 5.8744 5.8744 5.9184 5.9184 7.1307 7.1307 8.2576 8.2576 8.5395 8.5395 9.7243 9.7243 11.7230 11.7230 11.7478 11.7478 11.8657 11.8657 k = 0.4545 0.5000-0.0000 ( 3990 PWs) bands (ev): -31.8303 -31.8303 -31.8261 -31.8261 -31.8222 -31.8222 -13.2437 -13.2437 -13.2037 -13.2037 -13.1724 -13.1724 -12.9103 -12.9103 -12.8785 -12.8785 -12.8524 -12.8524 -12.7357 -12.7357 -12.6687 -12.6687 -12.4985 -12.4985 -3.1611 -3.1611 3.7373 3.7373 3.7579 3.7579 4.9597 4.9597 5.1717 5.1717 5.3306 5.3306 5.3498 5.3498 5.8548 5.8548 5.8915 5.8915 7.1262 7.1262 8.2605 8.2605 8.5350 8.5350 9.7238 9.7238 11.7334 11.7334 11.7487 11.7487 11.8897 11.8897 k = 0.4697 0.5000-0.0000 ( 3986 PWs) bands (ev): -31.8290 -31.8290 -31.8261 -31.8261 -31.8236 -31.8236 -13.2442 -13.2442 -13.2030 -13.2030 -13.1734 -13.1734 -12.9104 -12.9104 -12.8780 -12.8780 -12.8533 -12.8533 -12.7351 -12.7351 -12.6693 -12.6693 -12.4977 -12.4977 -3.1570 -3.1570 3.7378 3.7378 3.7581 3.7581 4.9716 4.9716 5.1717 5.1717 5.3405 5.3405 5.3521 5.3521 5.8393 5.8393 5.8718 5.8718 7.1229 7.1229 8.2612 8.2612 8.5334 8.5334 9.7234 9.7234 11.7405 11.7405 11.7503 11.7503 11.9052 11.9052 k = 0.4848 0.5000-0.0000 ( 4002 PWs) bands (ev): -31.8276 -31.8276 -31.8261 -31.8261 -31.8249 -31.8249 -13.2446 -13.2446 -13.2027 -13.2027 -13.1740 -13.1740 -12.9105 -12.9105 -12.8778 -12.8778 -12.8538 -12.8538 -12.7347 -12.7347 -12.6697 -12.6697 -12.4973 -12.4973 -3.1545 -3.1545 3.7380 3.7380 3.7582 3.7582 4.9787 4.9787 5.1717 5.1717 5.3443 5.3443 5.3566 5.3566 5.8288 5.8288 5.8601 5.8601 7.1208 7.1208 8.2610 8.2610 8.5331 8.5331 9.7232 9.7232 11.7440 11.7440 11.7521 11.7521 11.9120 11.9122 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.8265 -31.8265 -31.8261 -31.8261 -31.8261 -31.8261 -13.2447 -13.2447 -13.2026 -13.2026 -13.1743 -13.1743 -12.9105 -12.9105 -12.8777 -12.8777 -12.8540 -12.8540 -12.7346 -12.7346 -12.6698 -12.6698 -12.4972 -12.4972 -3.1537 -3.1537 3.7381 3.7381 3.7583 3.7583 4.9811 4.9811 5.1717 5.1717 5.3450 5.3450 5.3589 5.3589 5.8251 5.8251 5.8563 5.8563 7.1202 7.1202 8.2609 8.2609 8.5331 8.5331 9.7231 9.7231 11.7450 11.7450 11.7529 11.7529 11.9136 11.9136 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.8265 -31.8265 -31.8261 -31.8261 -31.8261 -31.8261 -13.2447 -13.2447 -13.2026 -13.2026 -13.1743 -13.1743 -12.9105 -12.9105 -12.8777 -12.8777 -12.8540 -12.8540 -12.7346 -12.7346 -12.6698 -12.6698 -12.4972 -12.4972 -3.1537 -3.1537 3.7381 3.7381 3.7583 3.7583 4.9811 4.9811 5.1717 5.1717 5.3450 5.3450 5.3589 5.3589 5.8251 5.8251 5.8563 5.8563 7.1202 7.1202 8.2609 8.2609 8.5331 8.5331 9.7231 9.7231 11.7450 11.7450 11.7529 11.7529 11.9136 11.9138 k = 0.4894 0.4894-0.0000 ( 4000 PWs) bands (ev): -31.8276 -31.8276 -31.8261 -31.8261 -31.8249 -31.8249 -13.2445 -13.2445 -13.2027 -13.2027 -13.1740 -13.1740 -12.9105 -12.9105 -12.8778 -12.8778 -12.8538 -12.8538 -12.7347 -12.7347 -12.6697 -12.6697 -12.4973 -12.4973 -3.1545 -3.1545 3.7380 3.7380 3.7582 3.7582 4.9787 4.9787 5.1717 5.1717 5.3444 5.3444 5.3565 5.3565 5.8287 5.8287 5.8601 5.8601 7.1208 7.1208 8.2611 8.2611 8.5331 8.5331 9.7232 9.7232 11.7437 11.7437 11.7524 11.7524 11.9122 11.9124 k = 0.4787 0.4787-0.0000 ( 3986 PWs) bands (ev): -31.8290 -31.8290 -31.8260 -31.8260 -31.8236 -31.8236 -13.2442 -13.2442 -13.2031 -13.2031 -13.1734 -13.1734 -12.9104 -12.9104 -12.8780 -12.8780 -12.8533 -12.8533 -12.7350 -12.7350 -12.6693 -12.6693 -12.4977 -12.4977 -3.1570 -3.1570 3.7378 3.7378 3.7581 3.7581 4.9717 4.9717 5.1717 5.1717 5.3427 5.3427 5.3500 5.3500 5.8382 5.8382 5.8726 5.8726 7.1228 7.1228 8.2616 8.2616 8.5331 8.5331 9.7234 9.7234 11.7376 11.7376 11.7532 11.7532 11.9079 11.9080 k = 0.4681 0.4681-0.0000 ( 3978 PWs) bands (ev): -31.8304 -31.8304 -31.8258 -31.8258 -31.8224 -31.8224 -13.2437 -13.2437 -13.2037 -13.2037 -13.1724 -13.1724 -12.9102 -12.9102 -12.8784 -12.8784 -12.8524 -12.8524 -12.7357 -12.7357 -12.6687 -12.6687 -12.4984 -12.4984 -3.1610 -3.1610 3.7373 3.7373 3.7579 3.7579 4.9602 4.9602 5.1717 5.1717 5.3395 5.3395 5.3405 5.3405 5.8509 5.8509 5.8950 5.8950 7.1261 7.1261 8.2623 8.2623 8.5335 8.5335 9.7238 9.7238 11.7256 11.7256 11.7565 11.7565 11.8997 11.9002 k = 0.4574 0.4574-0.0000 ( 3986 PWs) bands (ev): -31.8319 -31.8319 -31.8256 -31.8256 -31.8212 -31.8212 -13.2431 -13.2431 -13.2045 -13.2045 -13.1711 -13.1711 -12.9101 -12.9101 -12.8790 -12.8790 -12.8513 -12.8513 -12.7366 -12.7366 -12.6679 -12.6679 -12.4994 -12.4994 -3.1666 -3.1666 3.7367 3.7367 3.7576 3.7576 4.9441 4.9441 5.1716 5.1716 5.3284 5.3284 5.3360 5.3360 5.8659 5.8659 5.9269 5.9269 7.1306 7.1306 8.2629 8.2629 8.5346 8.5346 9.7244 9.7244 11.7085 11.7085 11.7616 11.7616 11.8867 11.8870 k = 0.4468 0.4468-0.0000 ( 3994 PWs) bands (ev): -31.8334 -31.8334 -31.8253 -31.8253 -31.8200 -31.8200 -13.2423 -13.2423 -13.2056 -13.2056 -13.1694 -13.1694 -12.9099 -12.9099 -12.8796 -12.8796 -12.8499 -12.8499 -12.7378 -12.7378 -12.6669 -12.6669 -12.5006 -12.5006 -3.1738 -3.1738 3.7359 3.7359 3.7573 3.7573 4.9239 4.9239 5.1716 5.1716 5.3158 5.3158 5.3311 5.3311 5.8833 5.8833 5.9666 5.9666 7.1363 7.1363 8.2631 8.2631 8.5372 8.5372 9.7252 9.7252 11.6872 11.6872 11.7682 11.7682 11.8690 11.8691 k = 0.4362 0.4362-0.0000 ( 4000 PWs) bands (ev): -31.8349 -31.8349 -31.8250 -31.8250 -31.8188 -31.8188 -13.2414 -13.2414 -13.2067 -13.2067 -13.1676 -13.1676 -12.9096 -12.9096 -12.8803 -12.8803 -12.8484 -12.8484 -12.7392 -12.7392 -12.6657 -12.6657 -12.5021 -12.5021 -3.1826 -3.1826 3.7349 3.7349 3.7568 3.7568 4.8999 4.8999 5.1715 5.1715 5.3031 5.3031 5.3254 5.3254 5.9036 5.9036 6.0122 6.0122 7.1433 7.1433 8.2628 8.2628 8.5419 8.5419 9.7263 9.7263 11.6619 11.6619 11.7762 11.7762 11.8469 11.8469 k = 0.4255 0.4255-0.0000 ( 4000 PWs) bands (ev): -31.8364 -31.8364 -31.8246 -31.8246 -31.8177 -31.8177 -13.2404 -13.2404 -13.2079 -13.2079 -13.1655 -13.1655 -12.9093 -12.9093 -12.8809 -12.8809 -12.8466 -12.8466 -12.7408 -12.7408 -12.6643 -12.6643 -12.5037 -12.5037 -3.1928 -3.1928 3.7338 3.7338 3.7563 3.7563 4.8724 4.8724 5.1713 5.1713 5.2908 5.2908 5.3190 5.3190 5.9267 5.9267 6.0627 6.0627 7.1514 7.1514 8.2617 8.2617 8.5492 8.5492 9.7277 9.7277 11.6332 11.6332 11.7855 11.7855 11.8211 11.8211 k = 0.4149 0.4149-0.0000 ( 4004 PWs) bands (ev): -31.8380 -31.8380 -31.8242 -31.8242 -31.8166 -31.8166 -13.2393 -13.2393 -13.2092 -13.2092 -13.1633 -13.1633 -12.9089 -12.9089 -12.8815 -12.8815 -12.8446 -12.8446 -12.7425 -12.7425 -12.6628 -12.6628 -12.5055 -12.5055 -3.2044 -3.2044 3.7324 3.7324 3.7556 3.7556 4.8418 4.8418 5.1711 5.1711 5.2792 5.2792 5.3120 5.3120 5.9528 5.9528 6.1170 6.1170 7.1607 7.1607 8.2599 8.2599 8.5597 8.5597 9.7295 9.7295 11.6014 11.6014 11.7898 11.7898 11.7982 11.7982 k = 0.4043 0.4043-0.0000 ( 4008 PWs) bands (ev): -31.8396 -31.8396 -31.8237 -31.8237 -31.8156 -31.8156 -13.2382 -13.2382 -13.2105 -13.2105 -13.1609 -13.1609 -12.9085 -12.9085 -12.8821 -12.8821 -12.8425 -12.8425 -12.7445 -12.7445 -12.6612 -12.6612 -12.5074 -12.5074 -3.2174 -3.2174 3.7308 3.7308 3.7548 3.7548 4.8087 4.8087 5.1707 5.1707 5.2684 5.2684 5.3045 5.3045 5.9817 5.9817 6.1745 6.1745 7.1710 7.1710 8.2575 8.2575 8.5737 8.5737 9.7318 9.7318 11.5670 11.5670 11.7591 11.7591 11.8085 11.8085 k = 0.3936 0.3936-0.0000 ( 4008 PWs) bands (ev): -31.8412 -31.8412 -31.8231 -31.8231 -31.8146 -31.8146 -13.2370 -13.2370 -13.2118 -13.2118 -13.1584 -13.1584 -12.9080 -12.9080 -12.8826 -12.8826 -12.8402 -12.8402 -12.7466 -12.7466 -12.6594 -12.6594 -12.5095 -12.5095 -3.2318 -3.2318 3.7291 3.7291 3.7539 3.7539 4.7733 4.7733 5.1702 5.1702 5.2583 5.2583 5.2965 5.2965 6.0134 6.0134 6.2346 6.2346 7.1823 7.1823 8.2551 8.2551 8.5913 8.5913 9.7346 9.7346 11.5303 11.5303 11.7247 11.7247 11.8210 11.8210 k = 0.3830 0.3830-0.0000 ( 4004 PWs) bands (ev): -31.8428 -31.8428 -31.8225 -31.8225 -31.8136 -31.8136 -13.2358 -13.2358 -13.2132 -13.2132 -13.1558 -13.1558 -12.9074 -12.9074 -12.8831 -12.8831 -12.8378 -12.8378 -12.7488 -12.7488 -12.6575 -12.6575 -12.5116 -12.5116 -3.2473 -3.2473 3.7272 3.7272 3.7529 3.7529 4.7360 4.7360 5.1694 5.1694 5.2489 5.2489 5.2882 5.2882 6.0477 6.0477 6.2967 6.2967 7.1945 7.1945 8.2530 8.2530 8.6126 8.6126 9.7381 9.7381 11.4916 11.4916 11.6882 11.6882 11.8345 11.8345 k = 0.3723 0.3723-0.0000 ( 3986 PWs) bands (ev): -31.8444 -31.8444 -31.8219 -31.8219 -31.8126 -31.8126 -13.2346 -13.2346 -13.2146 -13.2146 -13.1530 -13.1530 -12.9067 -12.9067 -12.8834 -12.8834 -12.8352 -12.8352 -12.7512 -12.7512 -12.6554 -12.6554 -12.5138 -12.5138 -3.2641 -3.2641 3.7251 3.7251 3.7516 3.7516 4.6972 4.6972 5.1683 5.1683 5.2403 5.2403 5.2796 5.2796 6.0845 6.0845 6.3604 6.3604 7.2076 7.2076 8.2522 8.2522 8.6375 8.6375 9.7423 9.7423 11.4513 11.4513 11.6501 11.6501 11.8486 11.8489 k = 0.3617 0.3617-0.0000 ( 3982 PWs) bands (ev): -31.8460 -31.8460 -31.8212 -31.8212 -31.8117 -31.8117 -13.2336 -13.2336 -13.2159 -13.2159 -13.1503 -13.1503 -12.9060 -12.9060 -12.8837 -12.8837 -12.8325 -12.8325 -12.7536 -12.7536 -12.6533 -12.6533 -12.5159 -12.5159 -3.2819 -3.2819 3.7228 3.7228 3.7502 3.7502 4.6571 4.6571 5.1667 5.1667 5.2324 5.2324 5.2708 5.2708 6.1238 6.1238 6.4252 6.4252 7.2214 7.2214 8.2533 8.2533 8.6657 8.6657 9.7474 9.7474 11.4096 11.4096 11.6106 11.6106 11.8627 11.8630 k = 0.3511 0.3511-0.0000 ( 3988 PWs) bands (ev): -31.8477 -31.8477 -31.8205 -31.8205 -31.8109 -31.8109 -13.2326 -13.2326 -13.2173 -13.2173 -13.1477 -13.1477 -12.9052 -12.9052 -12.8839 -12.8839 -12.8298 -12.8298 -12.7562 -12.7562 -12.6511 -12.6511 -12.5182 -12.5182 -3.3007 -3.3007 3.7204 3.7204 3.7485 3.7485 4.6159 4.6159 5.1645 5.1645 5.2252 5.2252 5.2617 5.2617 6.1653 6.1653 6.4906 6.4906 7.2359 7.2359 8.2572 8.2572 8.6972 8.6972 9.7534 9.7534 11.3668 11.3668 11.5700 11.5700 11.8757 11.8771 k = 0.3404 0.3404-0.0000 ( 4000 PWs) bands (ev): -31.8493 -31.8493 -31.8197 -31.8197 -31.8100 -31.8100 -13.2318 -13.2318 -13.2187 -13.2187 -13.1452 -13.1452 -12.9043 -12.9043 -12.8841 -12.8841 -12.8270 -12.8270 -12.7588 -12.7588 -12.6487 -12.6487 -12.5203 -12.5203 -3.3204 -3.3204 3.7179 3.7179 3.7467 3.7467 4.5737 4.5737 5.1617 5.1617 5.2189 5.2189 5.2526 5.2526 6.2090 6.2090 6.5562 6.5562 7.2510 7.2510 8.2645 8.2645 8.7318 8.7318 9.7604 9.7604 11.3233 11.3233 11.5287 11.5287 11.8852 11.8865 k = 0.3298 0.3298-0.0000 ( 3998 PWs) bands (ev): -31.8510 -31.8510 -31.8189 -31.8189 -31.8092 -31.8092 -13.2311 -13.2311 -13.2200 -13.2200 -13.1427 -13.1427 -12.9033 -12.9033 -12.8842 -12.8842 -12.8241 -12.8241 -12.7613 -12.7613 -12.6463 -12.6463 -12.5224 -12.5224 -3.3409 -3.3409 3.7152 3.7152 3.7446 3.7446 4.5309 4.5309 5.1580 5.1580 5.2133 5.2133 5.2434 5.2434 6.2547 6.2547 6.6215 6.6215 7.2665 7.2665 8.2762 8.2762 8.7692 8.7692 9.7687 9.7687 11.2793 11.2793 11.4868 11.4868 11.8888 11.8889 k = 0.3191 0.3191-0.0000 ( 3982 PWs) bands (ev): -31.8526 -31.8526 -31.8181 -31.8181 -31.8084 -31.8084 -13.2305 -13.2305 -13.2212 -13.2212 -13.1403 -13.1403 -12.9022 -12.9022 -12.8841 -12.8841 -12.8211 -12.8211 -12.7637 -12.7637 -12.6437 -12.6437 -12.5243 -12.5243 -3.3622 -3.3622 3.7125 3.7125 3.7422 3.7422 4.4875 4.4875 5.1536 5.1536 5.2085 5.2085 5.2341 5.2341 6.3022 6.3022 6.6859 6.6859 7.2825 7.2825 8.2928 8.2928 8.8094 8.8094 9.7783 9.7783 11.2349 11.2349 11.4448 11.4448 11.8915 11.8916 k = 0.3085 0.3085-0.0000 ( 3988 PWs) bands (ev): -31.8542 -31.8542 -31.8172 -31.8172 -31.8077 -31.8077 -13.2302 -13.2302 -13.2224 -13.2224 -13.1380 -13.1380 -12.9010 -12.9010 -12.8841 -12.8841 -12.8183 -12.8183 -12.7661 -12.7661 -12.6410 -12.6410 -12.5261 -12.5261 -3.3841 -3.3841 3.7096 3.7096 3.7396 3.7396 4.4436 4.4436 5.1484 5.1484 5.2043 5.2043 5.2251 5.2251 6.3515 6.3515 6.7490 6.7490 7.2986 7.2986 8.3151 8.3151 8.8522 8.8522 9.7894 9.7894 11.1904 11.1904 11.4026 11.4026 11.8942 11.8942 k = 0.2979 0.2979-0.0000 ( 3980 PWs) bands (ev): -31.8559 -31.8559 -31.8163 -31.8163 -31.8070 -31.8070 -13.2302 -13.2302 -13.2235 -13.2235 -13.1360 -13.1360 -12.8998 -12.8998 -12.8840 -12.8840 -12.8155 -12.8155 -12.7682 -12.7682 -12.6382 -12.6382 -12.5278 -12.5278 -3.4065 -3.4065 3.7066 3.7066 3.7368 3.7368 4.3994 4.3994 5.1427 5.1427 5.2001 5.2001 5.2164 5.2164 6.4024 6.4024 6.8103 6.8103 7.3150 7.3150 8.3437 8.3437 8.8975 8.8975 9.8020 9.8020 11.1461 11.1461 11.3606 11.3606 11.8971 11.8971 k = 0.2872 0.2872-0.0000 ( 3994 PWs) bands (ev): -31.8575 -31.8575 -31.8155 -31.8155 -31.8064 -31.8064 -13.2305 -13.2305 -13.2245 -13.2245 -13.1341 -13.1341 -12.8986 -12.8986 -12.8839 -12.8839 -12.8130 -12.8130 -12.7701 -12.7701 -12.6352 -12.6352 -12.5293 -12.5293 -3.4293 -3.4293 3.7036 3.7036 3.7337 3.7337 4.3551 4.3551 5.1364 5.1364 5.1952 5.1952 5.2090 5.2090 6.4547 6.4547 6.8693 6.8693 7.3314 7.3314 8.3790 8.3790 8.9452 8.9452 9.8163 9.8163 11.1019 11.1019 11.3188 11.3188 11.9000 11.9002 k = 0.2766 0.2766-0.0000 ( 3994 PWs) bands (ev): -31.8591 -31.8591 -31.8146 -31.8146 -31.8057 -31.8057 -13.2310 -13.2310 -13.2253 -13.2253 -13.1325 -13.1325 -12.8974 -12.8974 -12.8837 -12.8837 -12.8108 -12.8108 -12.7715 -12.7715 -12.6321 -12.6321 -12.5307 -12.5307 -3.4525 -3.4525 3.7005 3.7005 3.7304 3.7304 4.3108 4.3108 5.1297 5.1297 5.1885 5.1885 5.2036 5.2036 6.5083 6.5083 6.9256 6.9256 7.3478 7.3478 8.4215 8.4215 8.9952 8.9952 9.8325 9.8325 11.0582 11.0582 11.2774 11.2774 11.9027 11.9028 k = 0.2660 0.2660-0.0000 ( 4000 PWs) bands (ev): -31.8607 -31.8607 -31.8136 -31.8136 -31.8051 -31.8051 -13.2319 -13.2319 -13.2260 -13.2260 -13.1311 -13.1311 -12.8961 -12.8961 -12.8835 -12.8835 -12.8091 -12.8091 -12.7723 -12.7723 -12.6287 -12.6287 -12.5319 -12.5319 -3.4758 -3.4758 3.6974 3.6974 3.7268 3.7268 4.2666 4.2666 5.1229 5.1229 5.1802 5.1802 5.2000 5.2000 6.5629 6.5629 6.9791 6.9791 7.3641 7.3641 8.4711 8.4711 9.0473 9.0473 9.8505 9.8505 11.0151 11.0151 11.2367 11.2367 11.9050 11.9050 k = 0.2553 0.2553-0.0000 ( 4004 PWs) bands (ev): -31.8622 -31.8622 -31.8127 -31.8127 -31.8046 -31.8046 -13.2329 -13.2329 -13.2266 -13.2266 -13.1298 -13.1298 -12.8950 -12.8950 -12.8833 -12.8833 -12.8079 -12.8079 -12.7724 -12.7724 -12.6252 -12.6252 -12.5329 -12.5329 -3.4993 -3.4993 3.6943 3.6943 3.7230 3.7230 4.2226 4.2226 5.1160 5.1160 5.1711 5.1711 5.1973 5.1973 6.6183 6.6183 7.0295 7.0295 7.3801 7.3801 8.5281 8.5281 9.1016 9.1016 9.8706 9.8706 10.9728 10.9728 11.1967 11.1967 11.9062 11.9062 k = 0.2447 0.2447-0.0000 ( 4004 PWs) bands (ev): -31.8637 -31.8637 -31.8118 -31.8118 -31.8040 -31.8040 -13.2340 -13.2340 -13.2273 -13.2273 -13.1288 -13.1288 -12.8938 -12.8938 -12.8830 -12.8830 -12.8073 -12.8073 -12.7719 -12.7719 -12.6214 -12.6214 -12.5337 -12.5337 -3.5227 -3.5227 3.6911 3.6911 3.7190 3.7190 4.1791 4.1791 5.1090 5.1090 5.1616 5.1616 5.1951 5.1951 6.6745 6.6745 7.0767 7.0767 7.3958 7.3958 8.5923 8.5923 9.1579 9.1579 9.8928 9.8928 10.9313 10.9313 11.1575 11.1575 11.9058 11.9058 k = 0.2340 0.2340-0.0000 ( 4002 PWs) bands (ev): -31.8653 -31.8653 -31.8109 -31.8109 -31.8035 -31.8035 -13.2352 -13.2352 -13.2280 -13.2280 -13.1281 -13.1281 -12.8927 -12.8927 -12.8828 -12.8828 -12.8072 -12.8072 -12.7707 -12.7707 -12.6174 -12.6174 -12.5343 -12.5343 -3.5461 -3.5461 3.6879 3.6879 3.7149 3.7149 4.1361 4.1361 5.1020 5.1020 5.1520 5.1520 5.1931 5.1931 6.7311 6.7311 7.1209 7.1209 7.4111 7.4111 8.6632 8.6632 9.2162 9.2162 9.9172 9.9172 10.8908 10.8908 11.1193 11.1193 11.9029 11.9029 k = 0.2234 0.2234-0.0000 ( 3994 PWs) bands (ev): -31.8667 -31.8667 -31.8099 -31.8099 -31.8030 -31.8030 -13.2364 -13.2364 -13.2288 -13.2288 -13.1275 -13.1275 -12.8917 -12.8917 -12.8825 -12.8825 -12.8075 -12.8075 -12.7690 -12.7690 -12.6132 -12.6132 -12.5348 -12.5348 -3.5693 -3.5693 3.6848 3.6848 3.7106 3.7106 4.0938 4.0938 5.0952 5.0952 5.1423 5.1423 5.1912 5.1912 6.7879 6.7879 7.1621 7.1621 7.4259 7.4259 8.7405 8.7405 9.2764 9.2764 9.9438 9.9438 10.8514 10.8514 11.0822 11.0822 11.8961 11.8961 k = 0.2128 0.2128-0.0000 ( 3990 PWs) bands (ev): -31.8681 -31.8681 -31.8090 -31.8090 -31.8025 -31.8025 -13.2377 -13.2377 -13.2298 -13.2298 -13.1271 -13.1271 -12.8908 -12.8908 -12.8822 -12.8822 -12.8081 -12.8081 -12.7669 -12.7669 -12.6087 -12.6087 -12.5352 -12.5352 -3.5922 -3.5922 3.6817 3.6817 3.7062 3.7062 4.0524 4.0524 5.0885 5.0885 5.1326 5.1326 5.1892 5.1892 6.8447 6.8447 7.2005 7.2005 7.4401 7.4401 8.8234 8.8234 9.3384 9.3384 9.9727 9.9727 10.8133 10.8133 11.0462 11.0462 11.8834 11.8834 k = 0.2021 0.2021-0.0000 ( 3986 PWs) bands (ev): -31.8695 -31.8695 -31.8081 -31.8081 -31.8021 -31.8021 -13.2389 -13.2389 -13.2309 -13.2309 -13.1269 -13.1269 -12.8901 -12.8901 -12.8819 -12.8819 -12.8089 -12.8089 -12.7647 -12.7647 -12.6040 -12.6040 -12.5354 -12.5354 -3.6146 -3.6146 3.6786 3.6786 3.7017 3.7017 4.0120 4.0120 5.0819 5.0819 5.1231 5.1231 5.1873 5.1873 6.9013 6.9013 7.2365 7.2365 7.4538 7.4538 8.9113 8.9113 9.4023 9.4023 10.0038 10.0038 10.7766 10.7766 11.0115 11.0115 11.8622 11.8622 k = 0.1915 0.1915-0.0000 ( 3966 PWs) bands (ev): -31.8708 -31.8708 -31.8072 -31.8072 -31.8017 -31.8017 -13.2401 -13.2401 -13.2320 -13.2320 -13.1267 -13.1267 -12.8894 -12.8894 -12.8817 -12.8817 -12.8096 -12.8096 -12.7623 -12.7623 -12.5991 -12.5991 -12.5354 -12.5354 -3.6366 -3.6366 3.6756 3.6756 3.6971 3.6971 3.9727 3.9727 5.0755 5.0755 5.1137 5.1137 5.1854 5.1854 6.9575 6.9575 7.2701 7.2701 7.4668 7.4668 9.0033 9.0033 9.4678 9.4678 10.0371 10.0371 10.7415 10.7415 10.9782 10.9782 11.8300 11.8300 k = 0.1809 0.1809-0.0000 ( 3972 PWs) bands (ev): -31.8721 -31.8721 -31.8064 -31.8064 -31.8013 -31.8013 -13.2413 -13.2413 -13.2334 -13.2334 -13.1268 -13.1268 -12.8888 -12.8888 -12.8816 -12.8816 -12.8103 -12.8103 -12.7600 -12.7600 -12.5941 -12.5941 -12.5354 -12.5354 -3.6580 -3.6580 3.6726 3.6726 3.6925 3.6925 3.9347 3.9347 5.0694 5.0694 5.1044 5.1044 5.1835 5.1835 7.0128 7.0128 7.3016 7.3016 7.4790 7.4790 9.0985 9.0985 9.5351 9.5351 10.0725 10.0725 10.7079 10.7079 10.9462 10.9462 11.7877 11.7877 k = 0.1702 0.1702-0.0000 ( 3972 PWs) bands (ev): -31.8734 -31.8734 -31.8055 -31.8055 -31.8010 -31.8010 -13.2425 -13.2425 -13.2348 -13.2348 -13.1270 -13.1270 -12.8884 -12.8884 -12.8816 -12.8816 -12.8108 -12.8108 -12.7578 -12.7578 -12.5889 -12.5889 -12.5353 -12.5353 -3.6787 -3.6787 3.6697 3.6697 3.6880 3.6880 3.8980 3.8980 5.0635 5.0635 5.0954 5.0954 5.1815 5.1815 7.0671 7.0671 7.3312 7.3312 7.4906 7.4906 9.1959 9.1959 9.6040 9.6040 10.1100 10.1100 10.6762 10.6762 10.9157 10.9157 11.7390 11.7390 k = 0.1596 0.1596-0.0000 ( 3958 PWs) bands (ev): -31.8745 -31.8745 -31.8047 -31.8047 -31.8006 -31.8006 -13.2436 -13.2436 -13.2362 -13.2362 -13.1272 -13.1272 -12.8879 -12.8879 -12.8817 -12.8817 -12.8112 -12.8112 -12.7557 -12.7557 -12.5836 -12.5836 -12.5351 -12.5351 -3.6986 -3.6986 3.6669 3.6669 3.6834 3.6834 3.8630 3.8630 5.0579 5.0579 5.0866 5.0866 5.1796 5.1796 7.1202 7.1202 7.3591 7.3591 7.5014 7.5014 9.2944 9.2944 9.6744 9.6744 10.1495 10.1495 10.6465 10.6465 10.8868 10.8868 11.6875 11.6875 k = 0.1489 0.1489-0.0000 ( 3958 PWs) bands (ev): -31.8757 -31.8757 -31.8040 -31.8040 -31.8003 -31.8003 -13.2447 -13.2447 -13.2378 -13.2378 -13.1275 -13.1275 -12.8876 -12.8876 -12.8818 -12.8818 -12.8115 -12.8115 -12.7537 -12.7537 -12.5783 -12.5783 -12.5349 -12.5349 -3.7177 -3.7177 3.6642 3.6642 3.6790 3.6790 3.8296 3.8296 5.0525 5.0525 5.0782 5.0782 5.1777 5.1777 7.1716 7.1716 7.3852 7.3852 7.5114 7.5114 9.3929 9.3929 9.7460 9.7460 10.1906 10.1906 10.6191 10.6191 10.8595 10.8595 11.6354 11.6354 k = 0.1383 0.1383-0.0000 ( 3958 PWs) bands (ev): -31.8767 -31.8767 -31.8032 -31.8032 -31.8000 -31.8000 -13.2458 -13.2458 -13.2394 -13.2394 -13.1278 -13.1278 -12.8873 -12.8873 -12.8821 -12.8821 -12.8116 -12.8116 -12.7519 -12.7519 -12.5730 -12.5730 -12.5346 -12.5346 -3.7358 -3.7358 3.6616 3.6616 3.6746 3.6746 3.7980 3.7980 5.0475 5.0475 5.0701 5.0701 5.1758 5.1758 7.2212 7.2212 7.4098 7.4098 7.5207 7.5207 9.4904 9.4904 9.8184 9.8184 10.2334 10.2334 10.5941 10.5941 10.8339 10.8339 11.5839 11.5839 k = 0.1277 0.1277-0.0000 ( 3950 PWs) bands (ev): -31.8777 -31.8777 -31.8025 -31.8025 -31.7998 -31.7998 -13.2468 -13.2468 -13.2409 -13.2409 -13.1282 -13.1282 -12.8870 -12.8870 -12.8824 -12.8824 -12.8116 -12.8116 -12.7502 -12.7502 -12.5678 -12.5678 -12.5343 -12.5343 -3.7530 -3.7530 3.6590 3.6590 3.6704 3.6704 3.7684 3.7684 5.0427 5.0427 5.0624 5.0624 5.1739 5.1739 7.2686 7.2686 7.4328 7.4328 7.5292 7.5292 9.5857 9.5857 9.8910 9.8910 10.2774 10.2774 10.5721 10.5721 10.8100 10.8100 11.5334 11.5334 k = 0.1170 0.1170-0.0000 ( 3952 PWs) bands (ev): -31.8786 -31.8786 -31.8019 -31.8019 -31.7995 -31.7995 -13.2477 -13.2477 -13.2425 -13.2425 -13.1286 -13.1286 -12.8868 -12.8868 -12.8828 -12.8828 -12.8115 -12.8115 -12.7488 -12.7488 -12.5628 -12.5628 -12.5340 -12.5340 -3.7690 -3.7690 3.6566 3.6566 3.6664 3.6664 3.7408 3.7408 5.0383 5.0383 5.0552 5.0552 5.1722 5.1722 7.3136 7.3136 7.4543 7.4543 7.5370 7.5370 9.6779 9.6779 9.9626 9.9626 10.3223 10.3223 10.5536 10.5536 10.7879 10.7879 11.4840 11.4840 k = 0.1064 0.1064-0.0000 ( 3954 PWs) bands (ev): -31.8795 -31.8795 -31.8013 -31.8013 -31.7993 -31.7993 -13.2486 -13.2486 -13.2441 -13.2441 -13.1289 -13.1289 -12.8866 -12.8866 -12.8832 -12.8832 -12.8113 -12.8113 -12.7475 -12.7475 -12.5579 -12.5579 -12.5337 -12.5337 -3.7839 -3.7839 3.6542 3.6542 3.6625 3.6625 3.7156 3.7156 5.0342 5.0342 5.0484 5.0484 5.1705 5.1705 7.3558 7.3558 7.4742 7.4742 7.5441 7.5441 9.7663 9.7663 10.0315 10.0315 10.3676 10.3676 10.5393 10.5393 10.7677 10.7677 11.4355 11.4355 k = 0.0957 0.0957-0.0000 ( 3958 PWs) bands (ev): -31.8802 -31.8802 -31.8007 -31.8007 -31.7991 -31.7991 -13.2495 -13.2495 -13.2456 -13.2456 -13.1293 -13.1293 -12.8865 -12.8865 -12.8836 -12.8836 -12.8111 -12.8111 -12.7464 -12.7464 -12.5534 -12.5534 -12.5333 -12.5333 -3.7975 -3.7975 3.6516 3.6516 3.6587 3.6587 3.6930 3.6930 5.0305 5.0305 5.0422 5.0422 5.1689 5.1689 7.3949 7.3949 7.4925 7.4925 7.5505 7.5505 9.8503 9.8503 10.0957 10.0957 10.4124 10.4124 10.5306 10.5306 10.7494 10.7494 11.3876 11.3876 k = 0.0851 0.0851-0.0000 ( 3950 PWs) bands (ev): -31.8809 -31.8809 -31.8002 -31.8002 -31.7990 -31.7990 -13.2502 -13.2502 -13.2470 -13.2470 -13.1297 -13.1297 -12.8863 -12.8863 -12.8840 -12.8840 -12.8108 -12.8108 -12.7453 -12.7453 -12.5490 -12.5490 -12.5330 -12.5330 -3.8099 -3.8099 3.6479 3.6479 3.6551 3.6551 3.6740 3.6740 5.0271 5.0271 5.0365 5.0365 5.1674 5.1674 7.4307 7.4307 7.5091 7.5091 7.5563 7.5563 9.9294 9.9294 10.1525 10.1525 10.4553 10.4553 10.5293 10.5293 10.7330 10.7330 11.3401 11.3401 k = 0.0745 0.0745-0.0000 ( 3940 PWs) bands (ev): -31.8816 -31.8816 -31.7998 -31.7998 -31.7988 -31.7988 -13.2508 -13.2508 -13.2483 -13.2483 -13.1300 -13.1300 -12.8862 -12.8862 -12.8844 -12.8844 -12.8104 -12.8104 -12.7445 -12.7445 -12.5451 -12.5451 -12.5327 -12.5327 -3.8209 -3.8209 3.6404 3.6404 3.6521 3.6521 3.6611 3.6611 5.0242 5.0242 5.0314 5.0314 5.1661 5.1661 7.4628 7.4628 7.5240 7.5240 7.5615 7.5615 10.0031 10.0031 10.1992 10.1992 10.4934 10.4934 10.5389 10.5389 10.7187 10.7187 11.2927 11.2927 k = 0.0638 0.0638-0.0000 ( 3936 PWs) bands (ev): -31.8821 -31.8821 -31.7994 -31.7994 -31.7986 -31.7986 -13.2514 -13.2514 -13.2495 -13.2495 -13.1303 -13.1303 -12.8861 -12.8861 -12.8847 -12.8847 -12.8101 -12.8101 -12.7437 -12.7437 -12.5417 -12.5417 -12.5324 -12.5324 -3.8306 -3.8306 3.6284 3.6284 3.6499 3.6499 3.6548 3.6548 5.0215 5.0215 5.0269 5.0269 5.1649 5.1649 7.4908 7.4908 7.5372 7.5372 7.5661 7.5661 10.0707 10.0707 10.2343 10.2343 10.5237 10.5237 10.5615 10.5615 10.7066 10.7066 11.2456 11.2456 k = 0.0532 0.0532-0.0000 ( 3932 PWs) bands (ev): -31.8826 -31.8826 -31.7991 -31.7991 -31.7985 -31.7985 -13.2518 -13.2518 -13.2505 -13.2505 -13.1305 -13.1305 -12.8860 -12.8860 -12.8851 -12.8851 -12.8098 -12.8098 -12.7431 -12.7431 -12.5386 -12.5386 -12.5322 -12.5322 -3.8389 -3.8389 3.6159 3.6159 3.6484 3.6484 3.6513 3.6513 5.0193 5.0193 5.0231 5.0231 5.1639 5.1639 7.5144 7.5144 7.5488 7.5488 7.5703 7.5703 10.1316 10.1316 10.2579 10.2579 10.5504 10.5504 10.5906 10.5906 10.6969 10.6969 11.1993 11.1993 k = 0.0426 0.0426-0.0000 ( 3925 PWs) bands (ev): -31.8829 -31.8829 -31.7988 -31.7988 -31.7984 -31.7984 -13.2522 -13.2522 -13.2513 -13.2513 -13.1307 -13.1307 -12.8859 -12.8859 -12.8853 -12.8853 -12.8095 -12.8095 -12.7426 -12.7426 -12.5361 -12.5361 -12.5320 -12.5320 -3.8457 -3.8457 3.6050 3.6050 3.6472 3.6472 3.6490 3.6490 5.0175 5.0175 5.0199 5.0199 5.1631 5.1631 7.5330 7.5330 7.5589 7.5589 7.5741 7.5741 10.1844 10.1844 10.2723 10.2723 10.5781 10.5781 10.6174 10.6174 10.6899 10.6899 11.1549 11.1549 k = 0.0319 0.0319-0.0000 ( 3921 PWs) bands (ev): -31.8832 -31.8832 -31.7986 -31.7986 -31.7984 -31.7984 -13.2525 -13.2525 -13.2520 -13.2520 -13.1309 -13.1309 -12.8859 -12.8859 -12.8855 -12.8855 -12.8093 -12.8093 -12.7423 -12.7423 -12.5342 -12.5342 -12.5318 -12.5318 -3.8510 -3.8510 3.5963 3.5963 3.6463 3.6463 3.6473 3.6473 5.0161 5.0161 5.0175 5.0175 5.1624 5.1624 7.5461 7.5461 7.5680 7.5680 7.5775 7.5775 10.2277 10.2277 10.2804 10.2804 10.6059 10.6059 10.6374 10.6374 10.6866 10.6866 11.1142 11.1142 k = 0.0213 0.0213-0.0000 ( 3923 PWs) bands (ev): -31.8835 -31.8835 -31.7984 -31.7984 -31.7983 -31.7983 -13.2527 -13.2527 -13.2525 -13.2525 -13.1310 -13.1310 -12.8858 -12.8858 -12.8857 -12.8857 -12.8091 -12.8091 -12.7420 -12.7420 -12.5328 -12.5328 -12.5317 -12.5317 -3.8548 -3.8548 3.5900 3.5900 3.6457 3.6457 3.6461 3.6461 5.0151 5.0151 5.0157 5.0157 5.1619 5.1619 7.5541 7.5541 7.5757 7.5757 7.5803 7.5803 10.2601 10.2601 10.2845 10.2845 10.6304 10.6304 10.6489 10.6489 10.6876 10.6876 11.0803 11.0803 k = 0.0106 0.0106-0.0000 ( 3913 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2528 -13.2528 -13.2528 -13.2528 -13.1311 -13.1311 -12.8858 -12.8858 -12.8857 -12.8857 -12.8090 -12.8090 -12.7418 -12.7418 -12.5319 -12.5319 -12.5316 -12.5316 -3.8571 -3.8571 3.5861 3.5861 3.6453 3.6453 3.6454 3.6454 5.0144 5.0144 5.0146 5.0146 5.1616 5.1616 7.5581 7.5581 7.5809 7.5809 7.5821 7.5821 10.2802 10.2802 10.2864 10.2864 10.6478 10.6478 10.6532 10.6532 10.6910 10.6910 11.0572 11.0572 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2529 -13.2529 -13.2529 -13.2529 -13.1311 -13.1311 -12.8858 -12.8858 -12.8858 -12.8858 -12.8090 -12.8090 -12.7418 -12.7418 -12.5316 -12.5316 -12.5316 -12.5316 -3.8579 -3.8579 3.5849 3.5849 3.6452 3.6452 3.6452 3.6452 5.0142 5.0142 5.0142 5.0142 5.1615 5.1615 7.5593 7.5593 7.5828 7.5828 7.5828 7.5828 10.2870 10.2870 10.2870 10.2870 10.6542 10.6542 10.6542 10.6542 10.6926 10.6926 11.0489 11.0489 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2529 -13.2529 -13.2529 -13.2529 -13.1311 -13.1311 -12.8858 -12.8858 -12.8858 -12.8858 -12.8090 -12.8090 -12.7418 -12.7418 -12.5316 -12.5316 -12.5316 -12.5316 -3.8579 -3.8579 3.5849 3.5849 3.6452 3.6452 3.6452 3.6452 5.0142 5.0142 5.0142 5.0142 5.1615 5.1615 7.5593 7.5593 7.5828 7.5828 7.5828 7.5828 10.2870 10.2870 10.2870 10.2870 10.6542 10.6542 10.6542 10.6542 10.6926 10.6926 11.0489 11.0489 k = 0.0088 0.0088 0.0088 ( 3914 PWs) bands (ev): -31.8836 -31.8836 -31.7983 -31.7983 -31.7983 -31.7983 -13.2528 -13.2528 -13.2528 -13.2528 -13.1311 -13.1311 -12.8858 -12.8858 -12.8858 -12.8858 -12.8090 -12.8090 -12.7418 -12.7418 -12.5319 -12.5319 -12.5316 -12.5316 -3.8571 -3.8571 3.5862 3.5862 3.6453 3.6453 3.6454 3.6454 5.0144 5.0144 5.0146 5.0146 5.1616 5.1616 7.5581 7.5581 7.5811 7.5811 7.5819 7.5819 10.2810 10.2810 10.2855 10.2855 10.6476 10.6476 10.6533 10.6533 10.6909 10.6909 11.0574 11.0574 k = 0.0175 0.0175 0.0175 ( 3920 PWs) bands (ev): -31.8835 -31.8835 -31.7984 -31.7984 -31.7984 -31.7984 -13.2527 -13.2527 -13.2525 -13.2525 -13.1310 -13.1310 -12.8858 -12.8858 -12.8857 -12.8857 -12.8091 -12.8091 -12.7420 -12.7420 -12.5328 -12.5328 -12.5316 -12.5316 -3.8548 -3.8548 3.5901 3.5901 3.6457 3.6457 3.6461 3.6461 5.0151 5.0151 5.0157 5.0157 5.1619 5.1619 7.5542 7.5542 7.5759 7.5759 7.5796 7.5796 10.2630 10.2630 10.2811 10.2811 10.6283 10.6283 10.6508 10.6508 10.6873 10.6873 11.0809 11.0809 k = 0.0263 0.0263 0.0263 ( 3920 PWs) bands (ev): -31.8832 -31.8832 -31.7985 -31.7985 -31.7985 -31.7985 -13.2525 -13.2525 -13.2520 -13.2520 -13.1309 -13.1309 -12.8858 -12.8858 -12.8855 -12.8855 -12.8093 -12.8093 -12.7423 -12.7423 -12.5343 -12.5343 -12.5317 -12.5317 -3.8509 -3.8509 3.5965 3.5965 3.6463 3.6463 3.6473 3.6473 5.0161 5.0161 5.0175 5.0175 5.1624 5.1624 7.5474 7.5474 7.5674 7.5674 7.5762 7.5762 10.2335 10.2335 10.2733 10.2733 10.5976 10.5976 10.6474 10.6474 10.6837 10.6837 11.1154 11.1154 k = 0.0351 0.0351 0.0351 ( 3932 PWs) bands (ev): -31.8829 -31.8829 -31.7986 -31.7986 -31.7986 -31.7986 -13.2522 -13.2522 -13.2514 -13.2514 -13.1307 -13.1307 -12.8859 -12.8859 -12.8853 -12.8853 -12.8095 -12.8095 -12.7427 -12.7427 -12.5364 -12.5364 -12.5318 -12.5318 -3.8454 -3.8454 3.6055 3.6055 3.6472 3.6472 3.6490 3.6490 5.0175 5.0175 5.0201 5.0201 5.1631 5.1631 7.5371 7.5371 7.5555 7.5555 7.5721 7.5721 10.1936 10.1936 10.2617 10.2617 10.5572 10.5572 10.6439 10.6439 10.6817 10.6817 11.1567 11.1567 k = 0.0439 0.0439 0.0439 ( 3938 PWs) bands (ev): -31.8825 -31.8825 -31.7988 -31.7988 -31.7988 -31.7988 -13.2518 -13.2518 -13.2505 -13.2505 -13.1305 -13.1305 -12.8860 -12.8860 -12.8850 -12.8850 -12.8098 -12.8098 -12.7432 -12.7432 -12.5391 -12.5391 -12.5319 -12.5319 -3.8385 -3.8385 3.6169 3.6169 3.6483 3.6483 3.6512 3.6512 5.0193 5.0193 5.0233 5.0233 5.1640 5.1640 7.5234 7.5234 7.5404 7.5404 7.5674 7.5674 10.1445 10.1445 10.2459 10.2459 10.5080 10.5080 10.6412 10.6412 10.6823 10.6823 11.2013 11.2013 k = 0.0526 0.0526 0.0526 ( 3941 PWs) bands (ev): -31.8821 -31.8821 -31.7990 -31.7990 -31.7990 -31.7990 -13.2513 -13.2513 -13.2495 -13.2495 -13.1302 -13.1302 -12.8862 -12.8862 -12.8847 -12.8847 -12.8101 -12.8101 -12.7439 -12.7439 -12.5422 -12.5422 -12.5320 -12.5320 -3.8300 -3.8300 3.6305 3.6305 3.6496 3.6496 3.6542 3.6542 5.0216 5.0216 5.0273 5.0273 5.1650 5.1650 7.5064 7.5064 7.5221 7.5221 7.5618 7.5618 10.0877 10.0877 10.2254 10.2254 10.4507 10.4507 10.6405 10.6405 10.6860 10.6860 11.2470 11.2470 k = 0.0614 0.0614 0.0614 ( 3947 PWs) bands (ev): -31.8815 -31.8815 -31.7993 -31.7993 -31.7993 -31.7993 -13.2508 -13.2508 -13.2483 -13.2483 -13.1299 -13.1299 -12.8864 -12.8864 -12.8842 -12.8842 -12.8104 -12.8104 -12.7447 -12.7447 -12.5458 -12.5458 -12.5321 -12.5321 -3.8200 -3.8200 3.6449 3.6449 3.6511 3.6511 3.6593 3.6593 5.0241 5.0241 5.0319 5.0319 5.1662 5.1662 7.4863 7.4863 7.5009 7.5009 7.5554 7.5554 10.0245 10.0245 10.2001 10.2001 10.3863 10.3863 10.6423 10.6423 10.6928 10.6928 11.2919 11.2919 k = 0.0702 0.0702 0.0702 ( 3956 PWs) bands (ev): -31.8809 -31.8809 -31.7996 -31.7996 -31.7996 -31.7996 -13.2502 -13.2502 -13.2470 -13.2470 -13.1296 -13.1296 -12.8868 -12.8868 -12.8836 -12.8836 -12.8107 -12.8107 -12.7457 -12.7457 -12.5499 -12.5499 -12.5323 -12.5323 -3.8087 -3.8087 3.6528 3.6528 3.6546 3.6546 3.6718 3.6718 5.0271 5.0271 5.0371 5.0371 5.1675 5.1675 7.4633 7.4633 7.4767 7.4767 7.5479 7.5479 9.9560 9.9560 10.1703 10.1703 10.3162 10.3162 10.6472 10.6472 10.7025 10.7025 11.3347 11.3347 k = 0.0789 0.0789 0.0789 ( 3962 PWs) bands (ev): -31.8802 -31.8802 -31.8000 -31.8000 -31.8000 -31.8000 -13.2496 -13.2496 -13.2455 -13.2455 -13.1292 -13.1292 -12.8872 -12.8872 -12.8829 -12.8829 -12.8109 -12.8109 -12.7469 -12.7469 -12.5542 -12.5542 -12.5324 -12.5324 -3.7959 -3.7959 3.6548 3.6548 3.6597 3.6597 3.6917 3.6917 5.0303 5.0303 5.0429 5.0429 5.1690 5.1690 7.4376 7.4376 7.4499 7.4499 7.5390 7.5390 9.8829 9.8829 10.1361 10.1361 10.2418 10.2418 10.6554 10.6554 10.7150 10.7150 11.3747 11.3747 k = 0.0877 0.0877 0.0877 ( 3956 PWs) bands (ev): -31.8794 -31.8794 -31.8004 -31.8004 -31.8003 -31.8003 -13.2490 -13.2490 -13.2439 -13.2439 -13.1288 -13.1288 -12.8877 -12.8877 -12.8821 -12.8821 -12.8111 -12.8111 -12.7484 -12.7484 -12.5588 -12.5588 -12.5326 -12.5326 -3.7817 -3.7817 3.6568 3.6568 3.6639 3.6639 3.7151 3.7151 5.0339 5.0339 5.0493 5.0493 5.1707 5.1707 7.4094 7.4094 7.4205 7.4205 7.5286 7.5286 9.8059 9.8059 10.0982 10.0982 10.1648 10.1648 10.6669 10.6669 10.7301 10.7301 11.4115 11.4115 k = 0.0965 0.0965 0.0965 ( 3959 PWs) bands (ev): -31.8785 -31.8785 -31.8008 -31.8008 -31.8008 -31.8008 -13.2484 -13.2484 -13.2423 -13.2423 -13.1284 -13.1284 -12.8885 -12.8885 -12.8811 -12.8811 -12.8111 -12.8111 -12.7501 -12.7501 -12.5636 -12.5636 -12.5327 -12.5327 -3.7662 -3.7662 3.6590 3.6590 3.6681 3.6681 3.7411 3.7411 5.0377 5.0377 5.0562 5.0562 5.1724 5.1724 7.3789 7.3789 7.3887 7.3887 7.5164 7.5164 9.7255 9.7255 10.0573 10.0573 10.0870 10.0870 10.6815 10.6815 10.7474 10.7474 11.4452 11.4452 k = 0.1053 0.1053 0.1053 ( 3953 PWs) bands (ev): -31.8776 -31.8776 -31.8012 -31.8012 -31.8012 -31.8012 -13.2477 -13.2477 -13.2405 -13.2405 -13.1280 -13.1280 -12.8893 -12.8893 -12.8800 -12.8800 -12.8110 -12.8110 -12.7521 -12.7521 -12.5684 -12.5684 -12.5329 -12.5329 -3.7494 -3.7494 3.6614 3.6614 3.6724 3.6724 3.7695 3.7695 5.0418 5.0418 5.0636 5.0636 5.1743 5.1743 7.3464 7.3464 7.3547 7.3547 7.5022 7.5022 9.6424 9.6424 10.0096 10.0096 10.0140 10.0140 10.6990 10.6990 10.7669 10.7669 11.4764 11.4764 k = 0.1140 0.1140 0.1140 ( 3965 PWs) bands (ev): -31.8766 -31.8766 -31.8017 -31.8017 -31.8017 -31.8017 -13.2472 -13.2472 -13.2389 -13.2389 -13.1276 -13.1276 -12.8905 -12.8905 -12.8787 -12.8787 -12.8109 -12.8109 -12.7545 -12.7545 -12.5732 -12.5732 -12.5330 -12.5330 -3.7314 -3.7314 3.6638 3.6638 3.6768 3.6768 3.8000 3.8000 5.0460 5.0460 5.0714 5.0714 5.1762 5.1762 7.3119 7.3119 7.3188 7.3188 7.4858 7.4858 9.5571 9.5571 9.9337 9.9337 9.9688 9.9688 10.7192 10.7192 10.7883 10.7883 11.5057 11.5057 k = 0.1228 0.1228 0.1228 ( 3971 PWs) bands (ev): -31.8755 -31.8755 -31.8022 -31.8022 -31.8022 -31.8022 -13.2467 -13.2467 -13.2371 -13.2371 -13.1272 -13.1272 -12.8918 -12.8918 -12.8773 -12.8773 -12.8106 -12.8106 -12.7573 -12.7573 -12.5779 -12.5779 -12.5331 -12.5331 -3.7122 -3.7122 3.6663 3.6663 3.6814 3.6814 3.8326 3.8326 5.0504 5.0504 5.0795 5.0795 5.1783 5.1783 7.2758 7.2758 7.2811 7.2811 7.4667 7.4667 9.4707 9.4707 9.8602 9.8602 9.9223 9.9223 10.7419 10.7419 10.8116 10.8116 11.5340 11.5340 k = 0.1316 0.1316 0.1316 ( 3977 PWs) bands (ev): -31.8744 -31.8744 -31.8028 -31.8028 -31.8028 -31.8028 -13.2462 -13.2462 -13.2354 -13.2354 -13.1269 -13.1269 -12.8934 -12.8934 -12.8757 -12.8757 -12.8101 -12.8101 -12.7605 -12.7605 -12.5823 -12.5823 -12.5332 -12.5332 -3.6919 -3.6919 3.6689 3.6689 3.6860 3.6860 3.8672 3.8672 5.0549 5.0549 5.0880 5.0880 5.1804 5.1804 7.2382 7.2382 7.2418 7.2418 7.4449 7.4449 9.3841 9.3841 9.7893 9.7893 9.8751 9.8751 10.7669 10.7669 10.8366 10.8366 11.5620 11.5620 k = 0.1404 0.1404 0.1404 ( 3965 PWs) bands (ev): -31.8732 -31.8732 -31.8033 -31.8033 -31.8033 -31.8033 -13.2458 -13.2458 -13.2337 -13.2337 -13.1267 -13.1267 -12.8951 -12.8951 -12.8738 -12.8738 -12.8095 -12.8095 -12.7640 -12.7640 -12.5864 -12.5864 -12.5332 -12.5332 -3.6706 -3.6706 3.6715 3.6715 3.6908 3.6908 3.9037 3.9037 5.0594 5.0594 5.0967 5.0967 5.1827 5.1827 7.1994 7.1994 7.2012 7.2012 7.4200 7.4200 9.2984 9.2984 9.7214 9.7214 9.8277 9.8277 10.7939 10.7939 10.8633 10.8633 11.5902 11.5902 k = 0.1491 0.1491 0.1491 ( 3977 PWs) bands (ev): -31.8719 -31.8719 -31.8039 -31.8039 -31.8039 -31.8039 -13.2456 -13.2456 -13.2322 -13.2322 -13.1266 -13.1266 -12.8971 -12.8971 -12.8718 -12.8718 -12.8089 -12.8089 -12.7680 -12.7680 -12.5900 -12.5900 -12.5332 -12.5332 -3.6483 -3.6483 3.6741 3.6741 3.6955 3.6955 3.9418 3.9418 5.0639 5.0639 5.1056 5.1056 5.1851 5.1851 7.1593 7.1593 7.1596 7.1596 7.3917 7.3917 9.2146 9.2146 9.6565 9.6565 9.7802 9.7802 10.8229 10.8229 10.8916 10.8916 11.6188 11.6188 k = 0.1579 0.1579 0.1579 ( 3977 PWs) bands (ev): -31.8706 -31.8706 -31.8046 -31.8046 -31.8046 -31.8046 -13.2454 -13.2454 -13.2307 -13.2307 -13.1266 -13.1266 -12.8993 -12.8993 -12.8695 -12.8695 -12.8082 -12.8082 -12.7723 -12.7723 -12.5932 -12.5932 -12.5332 -12.5332 -3.6250 -3.6250 3.6767 3.6767 3.7003 3.7003 3.9816 3.9816 5.0682 5.0682 5.1147 5.1147 5.1876 5.1876 7.1165 7.1165 7.1189 7.1189 7.3598 7.3598 9.1337 9.1337 9.5946 9.5946 9.7333 9.7333 10.8537 10.8537 10.9213 10.9213 11.6481 11.6481 k = 0.1667 0.1667 0.1667 ( 3965 PWs) bands (ev): -31.8693 -31.8693 -31.8052 -31.8052 -31.8052 -31.8052 -13.2453 -13.2453 -13.2292 -13.2292 -13.1268 -13.1268 -12.9017 -12.9017 -12.8670 -12.8670 -12.8075 -12.8075 -12.7768 -12.7768 -12.5957 -12.5957 -12.5331 -12.5331 -3.6009 -3.6009 3.6793 3.6793 3.7049 3.7049 4.0228 4.0228 5.0723 5.0723 5.1238 5.1238 5.1903 5.1903 7.0729 7.0729 7.0775 7.0775 7.3240 7.3240 9.0566 9.0566 9.5358 9.5358 9.6871 9.6871 10.8862 10.8862 10.9524 10.9524 11.6781 11.6781 k = 0.1754 0.1754 0.1754 ( 3989 PWs) bands (ev): -31.8679 -31.8679 -31.8059 -31.8059 -31.8059 -31.8059 -13.2454 -13.2454 -13.2281 -13.2281 -13.1273 -13.1273 -12.9044 -12.9044 -12.8643 -12.8643 -12.8073 -12.8073 -12.7812 -12.7812 -12.5977 -12.5977 -12.5330 -12.5330 -3.5760 -3.5760 3.6818 3.6818 3.7095 3.7095 4.0654 4.0654 5.0760 5.0760 5.1329 5.1329 5.1932 5.1932 7.0287 7.0287 7.0357 7.0357 7.2844 7.2844 8.9841 8.9841 9.4798 9.4798 9.6418 9.6418 10.9201 10.9201 10.9847 10.9847 11.7087 11.7087 k = 0.1842 0.1842 0.1842 ( 3989 PWs) bands (ev): -31.8664 -31.8664 -31.8066 -31.8066 -31.8066 -31.8066 -13.2456 -13.2456 -13.2270 -13.2270 -13.1280 -13.1280 -12.9072 -12.9072 -12.8614 -12.8614 -12.8078 -12.8078 -12.7850 -12.7850 -12.5991 -12.5991 -12.5328 -12.5328 -3.5504 -3.5504 3.6842 3.6842 3.7139 3.7139 4.1092 4.1092 5.0793 5.0793 5.1418 5.1418 5.1963 5.1963 6.9842 6.9842 6.9937 6.9937 7.2408 7.2408 8.9167 8.9167 9.4268 9.4268 9.5978 9.5978 10.9554 10.9554 11.0183 11.0183 11.7399 11.7399 k = 0.1930 0.1930 0.1930 ( 3989 PWs) bands (ev): -31.8650 -31.8650 -31.8073 -31.8073 -31.8073 -31.8073 -13.2459 -13.2459 -13.2261 -13.2261 -13.1291 -13.1291 -12.9102 -12.9102 -12.8582 -12.8582 -12.8097 -12.8097 -12.7876 -12.7876 -12.5998 -12.5998 -12.5325 -12.5325 -3.5242 -3.5242 3.6865 3.6865 3.7182 3.7182 4.1539 4.1539 5.0821 5.0821 5.1506 5.1506 5.1997 5.1997 6.9394 6.9394 6.9515 6.9515 7.1933 7.1933 8.8549 8.8549 9.3766 9.3766 9.5552 9.5552 10.9921 10.9921 11.0531 11.0531 11.7714 11.7714 k = 0.2018 0.2018 0.2018 ( 4001 PWs) bands (ev): -31.8635 -31.8635 -31.8080 -31.8080 -31.8080 -31.8080 -13.2464 -13.2464 -13.2254 -13.2254 -13.1305 -13.1305 -12.9133 -12.9133 -12.8548 -12.8548 -12.8132 -12.8132 -12.7887 -12.7887 -12.5999 -12.5999 -12.5321 -12.5321 -3.4974 -3.4974 3.6887 3.6887 3.7222 3.7222 4.1996 4.1996 5.0843 5.0843 5.1592 5.1592 5.2034 5.2034 6.8946 6.8946 6.9094 6.9094 7.1421 7.1421 8.7989 8.7989 9.3294 9.3294 9.5142 9.5142 11.0299 11.0299 11.0888 11.0888 11.8029 11.8029 k = 0.2105 0.2105 0.2105 ( 3995 PWs) bands (ev): -31.8619 -31.8619 -31.8087 -31.8087 -31.8087 -31.8087 -13.2469 -13.2469 -13.2249 -13.2249 -13.1324 -13.1324 -12.9165 -12.9165 -12.8510 -12.8510 -12.8179 -12.8179 -12.7885 -12.7885 -12.5994 -12.5994 -12.5317 -12.5317 -3.4702 -3.4702 3.6907 3.6907 3.7259 3.7259 4.2458 4.2458 5.0857 5.0857 5.1675 5.1675 5.2073 5.2073 6.8499 6.8499 6.8676 6.8676 7.0877 7.0877 8.7488 8.7488 9.2850 9.2850 9.4750 9.4750 11.0688 11.0688 11.1256 11.1256 11.8342 11.8342 k = 0.2193 0.2193 0.2193 ( 3989 PWs) bands (ev): -31.8604 -31.8604 -31.8095 -31.8095 -31.8095 -31.8095 -13.2476 -13.2476 -13.2246 -13.2246 -13.1346 -13.1346 -12.9198 -12.9198 -12.8472 -12.8472 -12.8234 -12.8234 -12.7873 -12.7873 -12.5983 -12.5983 -12.5311 -12.5311 -3.4425 -3.4425 3.6925 3.6925 3.7293 3.7293 4.2926 4.2926 5.0864 5.0864 5.1754 5.1754 5.2116 5.2116 6.8056 6.8056 6.8261 6.8261 7.0303 7.0303 8.7046 8.7046 9.2436 9.2436 9.4377 9.4377 11.1086 11.1086 11.1632 11.1632 11.8648 11.8648 k = 0.2281 0.2281 0.2281 ( 3995 PWs) bands (ev): -31.8588 -31.8588 -31.8102 -31.8102 -31.8102 -31.8102 -13.2484 -13.2484 -13.2246 -13.2246 -13.1374 -13.1374 -12.9233 -12.9233 -12.8431 -12.8431 -12.8293 -12.8293 -12.7858 -12.7858 -12.5967 -12.5967 -12.5305 -12.5305 -3.4146 -3.4146 3.6942 3.6942 3.7323 3.7323 4.3396 4.3396 5.0862 5.0862 5.1828 5.1828 5.2161 5.2161 6.7617 6.7617 6.7852 6.7852 6.9706 6.9706 8.6661 8.6661 9.2051 9.2051 9.4025 9.4025 11.1492 11.1492 11.2015 11.2015 11.8943 11.8943 k = 0.2368 0.2368 0.2368 ( 3995 PWs) bands (ev): -31.8572 -31.8572 -31.8110 -31.8110 -31.8110 -31.8110 -13.2493 -13.2493 -13.2247 -13.2247 -13.1408 -13.1408 -12.9268 -12.9268 -12.8388 -12.8388 -12.8351 -12.8351 -12.7839 -12.7839 -12.5946 -12.5946 -12.5298 -12.5298 -3.3863 -3.3863 3.6956 3.6956 3.7350 3.7350 4.3867 4.3867 5.0852 5.0852 5.1897 5.1897 5.2207 5.2207 6.7185 6.7185 6.7449 6.7449 6.9091 6.9091 8.6330 8.6330 9.1696 9.1696 9.3693 9.3693 11.1904 11.1904 11.2405 11.2405 11.9223 11.9223 k = 0.2456 0.2456 0.2456 ( 3995 PWs) bands (ev): -31.8556 -31.8556 -31.8117 -31.8117 -31.8117 -31.8117 -13.2504 -13.2504 -13.2250 -13.2250 -13.1446 -13.1446 -12.9305 -12.9305 -12.8407 -12.8407 -12.8343 -12.8343 -12.7818 -12.7818 -12.5920 -12.5920 -12.5290 -12.5290 -3.3580 -3.3580 3.6969 3.6969 3.7372 3.7372 4.4336 4.4336 5.0833 5.0833 5.1961 5.1961 5.2255 5.2255 6.6760 6.6760 6.7054 6.7054 6.8465 6.8465 8.6051 8.6051 9.1370 9.1370 9.3384 9.3384 11.2321 11.2321 11.2800 11.2800 11.9484 11.9484 k = 0.2544 0.2544 0.2544 ( 3995 PWs) bands (ev): -31.8540 -31.8540 -31.8125 -31.8125 -31.8125 -31.8125 -13.2515 -13.2515 -13.2256 -13.2256 -13.1489 -13.1489 -12.9343 -12.9343 -12.8460 -12.8460 -12.8297 -12.8297 -12.7796 -12.7796 -12.5890 -12.5890 -12.5281 -12.5281 -3.3296 -3.3296 3.6979 3.6979 3.7390 3.7390 4.4802 4.4802 5.0806 5.0806 5.2018 5.2018 5.2304 5.2304 6.6345 6.6345 6.6667 6.6667 6.7834 6.7834 8.5819 8.5819 9.1074 9.1074 9.3098 9.3098 11.2743 11.2743 11.3199 11.3199 11.9720 11.9720 k = 0.2632 0.2632 0.2632 ( 3995 PWs) bands (ev): -31.8524 -31.8524 -31.8133 -31.8133 -31.8133 -31.8133 -13.2528 -13.2528 -13.2263 -13.2263 -13.1538 -13.1538 -12.9381 -12.9381 -12.8509 -12.8509 -12.8250 -12.8250 -12.7773 -12.7773 -12.5857 -12.5857 -12.5271 -12.5271 -3.3012 -3.3012 3.6987 3.6987 3.7403 3.7403 4.5261 4.5261 5.0771 5.0771 5.2069 5.2069 5.2351 5.2351 6.5939 6.5939 6.6289 6.6289 6.7205 6.7205 8.5631 8.5631 9.0808 9.0808 9.2834 9.2834 11.3166 11.3166 11.3600 11.3600 11.9928 11.9928 k = 0.2719 0.2719 0.2719 ( 3980 PWs) bands (ev): -31.8508 -31.8508 -31.8140 -31.8140 -31.8140 -31.8140 -13.2542 -13.2542 -13.2272 -13.2272 -13.1591 -13.1591 -12.9421 -12.9421 -12.8552 -12.8552 -12.8201 -12.8201 -12.7750 -12.7750 -12.5820 -12.5820 -12.5260 -12.5260 -3.2729 -3.2729 3.6992 3.6992 3.7411 3.7411 4.5712 4.5712 5.0729 5.0729 5.2112 5.2112 5.2397 5.2397 6.5545 6.5545 6.5920 6.5920 6.6586 6.6586 8.5483 8.5483 9.0572 9.0572 9.2594 9.2594 11.3590 11.3590 11.4003 11.4003 12.0104 12.0104 k = 0.2807 0.2807 0.2807 ( 3986 PWs) bands (ev): -31.8493 -31.8493 -31.8147 -31.8147 -31.8147 -31.8147 -13.2557 -13.2557 -13.2282 -13.2282 -13.1649 -13.1649 -12.9461 -12.9461 -12.8591 -12.8591 -12.8153 -12.8153 -12.7727 -12.7727 -12.5781 -12.5781 -12.5249 -12.5249 -3.2448 -3.2448 3.6995 3.6995 3.7414 3.7414 4.6151 4.6151 5.0680 5.0680 5.2148 5.2148 5.2440 5.2440 6.5164 6.5164 6.5559 6.5559 6.5984 6.5984 8.5373 8.5373 9.0367 9.0367 9.2378 9.2378 11.4012 11.4012 11.4405 11.4405 12.0244 12.0244 k = 0.2895 0.2895 0.2895 ( 3977 PWs) bands (ev): -31.8477 -31.8477 -31.8155 -31.8155 -31.8155 -31.8155 -13.2573 -13.2573 -13.2294 -13.2294 -13.1711 -13.1711 -12.9502 -12.9502 -12.8623 -12.8623 -12.8104 -12.8104 -12.7703 -12.7703 -12.5739 -12.5739 -12.5236 -12.5236 -3.2169 -3.2169 3.6996 3.6996 3.7412 3.7412 4.6576 4.6576 5.0625 5.0625 5.2177 5.2177 5.2478 5.2478 6.4796 6.4796 6.5191 6.5191 6.5421 6.5421 8.5295 8.5295 9.0192 9.0192 9.2184 9.2184 11.4431 11.4431 11.4805 11.4805 12.0346 12.0346 k = 0.2982 0.2982 0.2982 ( 3983 PWs) bands (ev): -31.8462 -31.8462 -31.8162 -31.8162 -31.8162 -31.8162 -13.2591 -13.2591 -13.2308 -13.2308 -13.1776 -13.1776 -12.9544 -12.9544 -12.8651 -12.8651 -12.8055 -12.8055 -12.7681 -12.7681 -12.5695 -12.5695 -12.5223 -12.5223 -3.1894 -3.1894 3.6994 3.6994 3.7404 3.7404 4.6985 4.6985 5.0566 5.0566 5.2197 5.2197 5.2510 5.2510 6.4441 6.4441 6.4752 6.4752 6.4966 6.4966 8.5248 8.5248 9.0048 9.0048 9.2015 9.2015 11.4844 11.4844 11.5201 11.5201 12.0409 12.0409 k = 0.3070 0.3070 0.3070 ( 3971 PWs) bands (ev): -31.8447 -31.8447 -31.8169 -31.8169 -31.8169 -31.8169 -13.2610 -13.2610 -13.2322 -13.2322 -13.1843 -13.1843 -12.9586 -12.9586 -12.8673 -12.8673 -12.8006 -12.8006 -12.7658 -12.7658 -12.5649 -12.5649 -12.5208 -12.5208 -3.1623 -3.1623 3.6990 3.6990 3.7392 3.7392 4.7374 4.7374 5.0503 5.0503 5.2210 5.2210 5.2535 5.2535 6.4102 6.4102 6.4246 6.4246 6.4622 6.4622 8.5228 8.5228 8.9935 8.9935 9.1867 9.1867 11.5251 11.5251 11.5591 11.5591 12.0432 12.0432 k = 0.3158 0.3158 0.3158 ( 3986 PWs) bands (ev): -31.8432 -31.8432 -31.8176 -31.8176 -31.8176 -31.8176 -13.2630 -13.2630 -13.2338 -13.2338 -13.1912 -13.1912 -12.9628 -12.9628 -12.8691 -12.8691 -12.7957 -12.7957 -12.7636 -12.7636 -12.5603 -12.5603 -12.5194 -12.5194 -3.1358 -3.1358 3.6984 3.6984 3.7375 3.7375 4.7740 4.7740 5.0439 5.0439 5.2216 5.2216 5.2551 5.2551 6.3753 6.3753 6.3779 6.3779 6.4312 6.4312 8.5231 8.5231 8.9852 8.9852 9.1743 9.1743 11.5647 11.5647 11.5973 11.5973 12.0415 12.0415 k = 0.3246 0.3246 0.3246 ( 3987 PWs) bands (ev): -31.8418 -31.8418 -31.8183 -31.8183 -31.8183 -31.8183 -13.2653 -13.2653 -13.2355 -13.2355 -13.1981 -13.1981 -12.9669 -12.9669 -12.8704 -12.8704 -12.7910 -12.7910 -12.7615 -12.7615 -12.5555 -12.5555 -12.5178 -12.5178 -3.1098 -3.1098 3.6975 3.6975 3.7353 3.7353 4.8078 4.8078 5.0376 5.0376 5.2214 5.2214 5.2557 5.2557 6.3292 6.3292 6.3471 6.3471 6.4021 6.4021 8.5255 8.5255 8.9799 8.9799 9.1639 9.1639 11.6030 11.6030 11.6345 11.6345 12.0361 12.0361 k = 0.3333 0.3333 0.3333 ( 3996 PWs) bands (ev): -31.8404 -31.8404 -31.8190 -31.8190 -31.8190 -31.8190 -13.2677 -13.2677 -13.2372 -13.2372 -13.2050 -13.2050 -12.9710 -12.9710 -12.8714 -12.8714 -12.7863 -12.7863 -12.7594 -12.7594 -12.5507 -12.5507 -12.5162 -12.5162 -3.0845 -3.0845 3.6965 3.6965 3.7326 3.7326 4.8382 4.8382 5.0321 5.0321 5.2206 5.2206 5.2552 5.2552 6.2870 6.2870 6.3179 6.3179 6.3747 6.3747 8.5297 8.5297 8.9776 8.9776 9.1556 9.1556 11.6398 11.6398 11.6705 11.6705 12.0272 12.0272 k = 0.3421 0.3421 0.3421 ( 3984 PWs) bands (ev): -31.8390 -31.8390 -31.8196 -31.8196 -31.8196 -31.8196 -13.2703 -13.2703 -13.2389 -13.2389 -13.2116 -13.2116 -12.9749 -12.9749 -12.8720 -12.8720 -12.7817 -12.7817 -12.7574 -12.7574 -12.5459 -12.5459 -12.5145 -12.5145 -3.0600 -3.0600 3.6952 3.6952 3.7296 3.7296 4.8646 4.8646 5.0280 5.0280 5.2191 5.2191 5.2536 5.2536 6.2489 6.2489 6.2904 6.2904 6.3488 6.3488 8.5354 8.5354 8.9782 8.9782 9.1493 9.1493 11.6748 11.6748 11.7049 11.7049 12.0149 12.0149 k = 0.3509 0.3509 0.3509 ( 3990 PWs) bands (ev): -31.8377 -31.8377 -31.8202 -31.8202 -31.8202 -31.8202 -13.2733 -13.2733 -13.2407 -13.2407 -13.2180 -13.2180 -12.9788 -12.9788 -12.8724 -12.8724 -12.7774 -12.7774 -12.7555 -12.7555 -12.5411 -12.5411 -12.5128 -12.5128 -3.0363 -3.0363 3.6939 3.6939 3.7261 3.7261 4.8857 4.8857 5.0264 5.0264 5.2170 5.2170 5.2508 5.2508 6.2152 6.2152 6.2646 6.2646 6.3245 6.3245 8.5423 8.5423 8.9816 8.9816 9.1448 9.1448 11.7073 11.7073 11.7374 11.7374 11.9997 11.9997 k = 0.3596 0.3596 0.3596 ( 3999 PWs) bands (ev): -31.8364 -31.8364 -31.8208 -31.8208 -31.8208 -31.8208 -13.2765 -13.2765 -13.2425 -13.2425 -13.2240 -13.2240 -12.9825 -12.9825 -12.8726 -12.8726 -12.7731 -12.7731 -12.7536 -12.7536 -12.5364 -12.5364 -12.5111 -12.5111 -3.0135 -3.0135 3.6924 3.6924 3.7224 3.7224 4.9003 4.9003 5.0286 5.0286 5.2145 5.2145 5.2469 5.2469 6.1858 6.1858 6.2403 6.2403 6.3017 6.3017 8.5501 8.5501 8.9876 8.9876 9.1420 9.1420 11.7369 11.7369 11.7675 11.7675 11.9822 11.9822 k = 0.3684 0.3684 0.3684 ( 3999 PWs) bands (ev): -31.8352 -31.8352 -31.8214 -31.8214 -31.8214 -31.8214 -13.2800 -13.2800 -13.2443 -13.2443 -13.2295 -13.2295 -12.9860 -12.9860 -12.8725 -12.8725 -12.7691 -12.7691 -12.7519 -12.7519 -12.5318 -12.5318 -12.5094 -12.5094 -2.9917 -2.9917 3.6907 3.6907 3.7184 3.7184 4.9079 4.9079 5.0352 5.0352 5.2115 5.2115 5.2419 5.2419 6.1606 6.1606 6.2178 6.2178 6.2805 6.2805 8.5586 8.5586 8.9962 8.9962 9.1407 9.1407 11.7628 11.7628 11.7945 11.7945 11.9632 11.9632 k = 0.3772 0.3772 0.3772 ( 3999 PWs) bands (ev): -31.8341 -31.8341 -31.8220 -31.8220 -31.8220 -31.8220 -13.2837 -13.2837 -13.2460 -13.2460 -13.2344 -13.2344 -12.9893 -12.9893 -12.8723 -12.8723 -12.7653 -12.7653 -12.7502 -12.7502 -12.5273 -12.5273 -12.5076 -12.5076 -2.9709 -2.9709 3.6890 3.6890 3.7142 3.7142 4.9092 4.9092 5.0457 5.0457 5.2082 5.2082 5.2359 5.2359 6.1395 6.1395 6.1969 6.1969 6.2608 6.2608 8.5676 8.5676 9.0070 9.0070 9.1408 9.1408 11.7838 11.7838 11.8170 11.8170 11.9440 11.9441 k = 0.3860 0.3860 0.3860 ( 3999 PWs) bands (ev): -31.8330 -31.8330 -31.8225 -31.8225 -31.8225 -31.8225 -13.2877 -13.2877 -13.2477 -13.2477 -13.2388 -13.2388 -12.9924 -12.9924 -12.8721 -12.8721 -12.7617 -12.7617 -12.7486 -12.7486 -12.5230 -12.5230 -12.5059 -12.5059 -2.9513 -2.9513 3.6873 3.6873 3.7099 3.7099 4.9059 4.9059 5.0583 5.0583 5.2046 5.2046 5.2293 5.2293 6.1221 6.1221 6.1776 6.1776 6.2427 6.2427 8.5768 8.5768 9.0198 9.0198 9.1420 9.1420 11.7981 11.7981 11.8325 11.8325 11.9270 11.9270 k = 0.3947 0.3947 0.3947 ( 3993 PWs) bands (ev): -31.8320 -31.8320 -31.8229 -31.8229 -31.8229 -31.8229 -13.2919 -13.2919 -13.2493 -13.2493 -13.2426 -13.2426 -12.9953 -12.9953 -12.8717 -12.8717 -12.7583 -12.7583 -12.7471 -12.7471 -12.5189 -12.5189 -12.5042 -12.5042 -2.9328 -2.9328 3.6855 3.6855 3.7055 3.7055 4.8997 4.8997 5.0717 5.0717 5.2008 5.2008 5.2221 5.2221 6.1080 6.1080 6.1599 6.1599 6.2263 6.2263 8.5861 8.5861 9.0342 9.0342 9.1443 9.1443 11.8041 11.8041 11.8366 11.8366 11.9153 11.9153 k = 0.4035 0.4035 0.4035 ( 3987 PWs) bands (ev): -31.8310 -31.8310 -31.8234 -31.8234 -31.8234 -31.8234 -13.2961 -13.2961 -13.2509 -13.2509 -13.2459 -13.2459 -12.9980 -12.9980 -12.8712 -12.8712 -12.7551 -12.7551 -12.7458 -12.7458 -12.5150 -12.5150 -12.5026 -12.5026 -2.9155 -2.9155 3.6837 3.6837 3.7011 3.7011 4.8918 4.8918 5.0849 5.0849 5.1970 5.1970 5.2146 5.2146 6.0969 6.0969 6.1437 6.1437 6.2114 6.2114 8.5952 8.5952 9.0500 9.0500 9.1474 9.1474 11.8013 11.8013 11.8280 11.8280 11.9083 11.9083 k = 0.4123 0.4123 0.4123 ( 3987 PWs) bands (ev): -31.8301 -31.8301 -31.8238 -31.8238 -31.8238 -31.8238 -13.3003 -13.3003 -13.2524 -13.2524 -13.2487 -13.2487 -13.0005 -13.0005 -12.8708 -12.8708 -12.7523 -12.7523 -12.7445 -12.7445 -12.5114 -12.5114 -12.5011 -12.5011 -2.8996 -2.8996 3.6820 3.6820 3.6968 3.6968 4.8829 4.8829 5.0972 5.0972 5.1931 5.1931 5.2072 5.2072 6.0882 6.0882 6.1291 6.1291 6.1982 6.1982 8.6040 8.6040 9.0666 9.0666 9.1511 9.1511 11.7912 11.7912 11.8113 11.8113 11.8999 11.8999 k = 0.4211 0.4211 0.4211 ( 3993 PWs) bands (ev): -31.8293 -31.8293 -31.8242 -31.8242 -31.8242 -31.8242 -13.3045 -13.3045 -13.2537 -13.2537 -13.2512 -13.2512 -13.0028 -13.0028 -12.8703 -12.8703 -12.7497 -12.7497 -12.7434 -12.7434 -12.5080 -12.5080 -12.4996 -12.4996 -2.8850 -2.8850 3.6803 3.6803 3.6927 3.6927 4.8738 4.8738 5.1084 5.1084 5.1894 5.1894 5.1999 5.1999 6.0814 6.0814 6.1160 6.1160 6.1866 6.1866 8.6124 8.6124 9.0836 9.0836 9.1552 9.1552 11.7764 11.7764 11.7913 11.7913 11.8869 11.8869 k = 0.4298 0.4298 0.4298 ( 3984 PWs) bands (ev): -31.8286 -31.8286 -31.8245 -31.8245 -31.8245 -31.8245 -13.3084 -13.3084 -13.2550 -13.2550 -13.2532 -13.2532 -13.0049 -13.0049 -12.8698 -12.8698 -12.7473 -12.7473 -12.7423 -12.7423 -12.5049 -12.5049 -12.4983 -12.4983 -2.8718 -2.8718 3.6787 3.6787 3.6887 3.6887 4.8647 4.8647 5.1184 5.1184 5.1858 5.1858 5.1930 5.1930 6.0763 6.0763 6.1043 6.1043 6.1767 6.1767 8.6202 8.6202 9.1006 9.1006 9.1595 9.1595 11.7597 11.7597 11.7707 11.7707 11.8710 11.8710 k = 0.4386 0.4386 0.4386 ( 3972 PWs) bands (ev): -31.8280 -31.8280 -31.8248 -31.8248 -31.8248 -31.8248 -13.3120 -13.3120 -13.2561 -13.2561 -13.2548 -13.2548 -13.0066 -13.0066 -12.8694 -12.8694 -12.7452 -12.7452 -12.7414 -12.7414 -12.5021 -12.5021 -12.4970 -12.4970 -2.8600 -2.8600 3.6772 3.6772 3.6851 3.6851 4.8561 4.8561 5.1269 5.1269 5.1824 5.1824 5.1868 5.1868 6.0723 6.0723 6.0941 6.0941 6.1683 6.1683 8.6274 8.6274 9.1171 9.1171 9.1639 9.1639 11.7426 11.7426 11.7509 11.7509 11.8544 11.8544 k = 0.4474 0.4474 0.4474 ( 3972 PWs) bands (ev): -31.8274 -31.8274 -31.8251 -31.8251 -31.8251 -31.8251 -13.3153 -13.3153 -13.2571 -13.2571 -13.2562 -13.2562 -13.0082 -13.0082 -12.8690 -12.8690 -12.7434 -12.7434 -12.7406 -12.7406 -12.4996 -12.4996 -12.4959 -12.4959 -2.8497 -2.8497 3.6759 3.6759 3.6818 3.6818 4.8481 4.8481 5.1341 5.1341 5.1794 5.1794 5.1814 5.1814 6.0692 6.0692 6.0853 6.0853 6.1614 6.1614 8.6338 8.6338 9.1326 9.1326 9.1680 9.1680 11.7264 11.7264 11.7325 11.7325 11.8384 11.8384 k = 0.4561 0.4561 0.4561 ( 3972 PWs) bands (ev): -31.8269 -31.8269 -31.8253 -31.8253 -31.8253 -31.8253 -13.3181 -13.3181 -13.2580 -13.2580 -13.2574 -13.2574 -13.0095 -13.0095 -12.8686 -12.8686 -12.7418 -12.7418 -12.7399 -12.7399 -12.4975 -12.4975 -12.4949 -12.4949 -2.8410 -2.8410 3.6747 3.6747 3.6789 3.6789 4.8410 4.8410 5.1397 5.1397 5.1767 5.1767 5.1770 5.1770 6.0667 6.0667 6.0779 6.0779 6.1560 6.1560 8.6394 8.6394 9.1466 9.1466 9.1719 9.1719 11.7119 11.7119 11.7162 11.7162 11.8239 11.8239 k = 0.4649 0.4649 0.4649 ( 3972 PWs) bands (ev): -31.8265 -31.8265 -31.8255 -31.8255 -31.8255 -31.8255 -13.3205 -13.3205 -13.2587 -13.2587 -13.2583 -13.2583 -13.0106 -13.0106 -12.8683 -12.8683 -12.7406 -12.7406 -12.7393 -12.7393 -12.4958 -12.4958 -12.4941 -12.4941 -2.8338 -2.8338 3.6737 3.6737 3.6764 3.6764 4.8349 4.8349 5.1438 5.1438 5.1738 5.1738 5.1744 5.1744 6.0648 6.0648 6.0719 6.0719 6.1518 6.1518 8.6441 8.6441 9.1587 9.1587 9.1753 9.1753 11.6994 11.6994 11.7022 11.7022 11.8115 11.8115 k = 0.4737 0.4737 0.4737 ( 3972 PWs) bands (ev): -31.8262 -31.8262 -31.8256 -31.8256 -31.8256 -31.8256 -13.3224 -13.3224 -13.2592 -13.2592 -13.2591 -13.2591 -13.0115 -13.0115 -12.8681 -12.8681 -12.7396 -12.7396 -12.7389 -12.7389 -12.4944 -12.4944 -12.4935 -12.4935 -2.8281 -2.8281 3.6729 3.6729 3.6745 3.6745 4.8300 4.8300 5.1464 5.1464 5.1717 5.1717 5.1726 5.1726 6.0633 6.0633 6.0673 6.0673 6.1488 6.1488 8.6478 8.6478 9.1686 9.1686 9.1781 9.1781 11.6894 11.6894 11.6910 11.6910 11.8015 11.8015 k = 0.4825 0.4825 0.4825 ( 3972 PWs) bands (ev): -31.8260 -31.8260 -31.8257 -31.8257 -31.8257 -31.8257 -13.3238 -13.3238 -13.2596 -13.2596 -13.2596 -13.2596 -13.0121 -13.0121 -12.8679 -12.8679 -12.7389 -12.7389 -12.7386 -12.7386 -12.4935 -12.4935 -12.4931 -12.4931 -2.8241 -2.8241 3.6724 3.6724 3.6730 3.6730 4.8265 4.8265 5.1478 5.1478 5.1707 5.1707 5.1713 5.1713 6.0622 6.0622 6.0639 6.0639 6.1468 6.1468 8.6505 8.6505 9.1759 9.1759 9.1801 9.1801 11.6821 11.6821 11.6828 11.6828 11.7941 11.7941 k = 0.4912 0.4912 0.4912 ( 3972 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8258 -31.8258 -13.3246 -13.3246 -13.2599 -13.2599 -13.2599 -13.2599 -13.0124 -13.0124 -12.8678 -12.8678 -12.7385 -12.7385 -12.7384 -12.7384 -12.4929 -12.4929 -12.4928 -12.4928 -2.8217 -2.8217 3.6720 3.6720 3.6722 3.6722 4.8243 4.8243 5.1483 5.1483 5.1703 5.1703 5.1705 5.1705 6.0615 6.0615 6.0620 6.0620 6.1457 6.1457 8.6521 8.6521 9.1803 9.1803 9.1814 9.1814 11.6777 11.6777 11.6778 11.6778 11.7897 11.7897 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3248 -13.3248 -13.2598 -13.2598 -13.2598 -13.2598 -13.0125 -13.0125 -12.8676 -12.8676 -12.7381 -12.7381 -12.7381 -12.7381 -12.4925 -12.4925 -12.4925 -12.4925 -2.8208 -2.8208 3.6719 3.6719 3.6719 3.6719 4.8236 4.8236 5.1485 5.1485 5.1703 5.1703 5.1703 5.1703 6.0613 6.0613 6.0613 6.0613 6.1453 6.1453 8.6527 8.6527 9.1818 9.1818 9.1818 9.1818 11.6762 11.6762 11.6762 11.6762 11.7883 11.7883 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3248 -13.3248 -13.2598 -13.2598 -13.2598 -13.2598 -13.0125 -13.0125 -12.8676 -12.8676 -12.7381 -12.7381 -12.7381 -12.7381 -12.4925 -12.4925 -12.4925 -12.4925 -2.8208 -2.8208 3.6719 3.6719 3.6719 3.6719 4.8236 4.8236 5.1485 5.1485 5.1703 5.1703 5.1703 5.1703 6.0613 6.0613 6.0613 6.0613 6.1453 6.1453 8.6527 8.6527 9.1818 9.1818 9.1818 9.1818 11.6762 11.6762 11.6762 11.6762 11.7883 11.7883 k = 0.4894 0.5000 0.4894 ( 3966 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8258 -31.8258 -13.3246 -13.3246 -13.2599 -13.2599 -13.2598 -13.2598 -13.0124 -13.0124 -12.8678 -12.8678 -12.7385 -12.7385 -12.7383 -12.7383 -12.4929 -12.4929 -12.4927 -12.4927 -2.8216 -2.8216 3.6720 3.6720 3.6722 3.6722 4.8243 4.8243 5.1484 5.1484 5.1703 5.1703 5.1706 5.1706 6.0613 6.0613 6.0621 6.0621 6.1457 6.1457 8.6521 8.6521 9.1801 9.1801 9.1817 9.1817 11.6776 11.6776 11.6779 11.6779 11.7897 11.7897 k = 0.4787 0.5000 0.4787 ( 3966 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8257 -31.8257 -13.3238 -13.3238 -13.2597 -13.2597 -13.2595 -13.2595 -13.0121 -13.0121 -12.8679 -12.8679 -12.7389 -12.7389 -12.7385 -12.7385 -12.4936 -12.4936 -12.4929 -12.4929 -2.8240 -2.8240 3.6724 3.6724 3.6730 3.6730 4.8264 4.8264 5.1478 5.1478 5.1704 5.1704 5.1716 5.1716 6.0614 6.0614 6.0646 6.0646 6.1468 6.1468 8.6505 8.6505 9.1749 9.1749 9.1812 9.1812 11.6818 11.6818 11.6829 11.6829 11.7940 11.7940 k = 0.4681 0.5000 0.4681 ( 3966 PWs) bands (ev): -31.8261 -31.8261 -31.8258 -31.8258 -31.8255 -31.8255 -13.3224 -13.3224 -13.2594 -13.2594 -13.2589 -13.2589 -13.0115 -13.0115 -12.8681 -12.8681 -12.7396 -12.7396 -12.7388 -12.7388 -12.4946 -12.4946 -12.4932 -12.4932 -2.8280 -2.8280 3.6730 3.6730 3.6743 3.6743 4.8299 4.8299 5.1465 5.1465 5.1710 5.1710 5.1732 5.1732 6.0615 6.0615 6.0687 6.0687 6.1489 6.1489 8.6478 8.6478 9.1665 9.1665 9.1806 9.1806 11.6888 11.6888 11.6911 11.6911 11.8012 11.8012 k = 0.4574 0.5000 0.4574 ( 3966 PWs) bands (ev): -31.8263 -31.8263 -31.8258 -31.8258 -31.8253 -31.8253 -13.3206 -13.3206 -13.2589 -13.2589 -13.2581 -13.2581 -13.0106 -13.0106 -12.8683 -12.8683 -12.7406 -12.7406 -12.7392 -12.7392 -12.4962 -12.4962 -12.4937 -12.4937 -2.8335 -2.8335 3.6738 3.6738 3.6762 3.6762 4.8347 4.8347 5.1440 5.1440 5.1724 5.1724 5.1756 5.1756 6.0615 6.0615 6.0742 6.0742 6.1522 6.1522 8.6440 8.6440 9.1550 9.1550 9.1799 9.1799 11.6983 11.6983 11.7022 11.7022 11.8110 11.8110 k = 0.4468 0.5000 0.4468 ( 3966 PWs) bands (ev): -31.8266 -31.8266 -31.8258 -31.8258 -31.8250 -31.8250 -13.3182 -13.3182 -13.2584 -13.2584 -13.2571 -13.2571 -13.0096 -13.0096 -12.8686 -12.8686 -12.7418 -12.7418 -12.7397 -12.7397 -12.4981 -12.4981 -12.4942 -12.4942 -2.8405 -2.8405 3.6749 3.6749 3.6785 3.6785 4.8407 4.8407 5.1402 5.1402 5.1747 5.1747 5.1787 5.1787 6.0615 6.0615 6.0809 6.0809 6.1571 6.1571 8.6389 8.6389 9.1407 9.1407 9.1795 9.1795 11.7103 11.7103 11.7161 11.7161 11.8232 11.8232 k = 0.4362 0.5000 0.4362 ( 3966 PWs) bands (ev): -31.8270 -31.8270 -31.8258 -31.8258 -31.8247 -31.8247 -13.3154 -13.3154 -13.2577 -13.2577 -13.2558 -13.2558 -13.0083 -13.0083 -12.8690 -12.8690 -12.7434 -12.7434 -12.7403 -12.7403 -12.5004 -12.5004 -12.4949 -12.4949 -2.8490 -2.8490 3.6762 3.6762 3.6813 3.6813 4.8478 4.8478 5.1349 5.1349 5.1777 5.1777 5.1827 5.1827 6.0615 6.0615 6.0886 6.0886 6.1640 6.1640 8.6327 8.6327 9.1240 9.1240 9.1794 9.1794 11.7244 11.7244 11.7323 11.7323 11.8375 11.8375 k = 0.4255 0.5000 0.4255 ( 3970 PWs) bands (ev): -31.8274 -31.8274 -31.8258 -31.8258 -31.8243 -31.8243 -13.3121 -13.3121 -13.2569 -13.2569 -13.2543 -13.2543 -13.0067 -13.0067 -12.8694 -12.8694 -12.7452 -12.7452 -12.7411 -12.7411 -12.5031 -12.5031 -12.4957 -12.4957 -2.8590 -2.8590 3.6776 3.6776 3.6845 3.6845 4.8558 4.8558 5.1284 5.1284 5.1812 5.1812 5.1875 5.1875 6.0613 6.0613 6.0971 6.0971 6.1733 6.1733 8.6251 8.6251 9.1054 9.1054 9.1799 9.1799 11.7403 11.7403 11.7504 11.7504 11.8535 11.8535 k = 0.4149 0.5000 0.4149 ( 3978 PWs) bands (ev): -31.8279 -31.8279 -31.8259 -31.8259 -31.8239 -31.8239 -13.3085 -13.3085 -13.2560 -13.2560 -13.2525 -13.2525 -13.0050 -13.0050 -12.8698 -12.8698 -12.7473 -12.7473 -12.7419 -12.7419 -12.5062 -12.5062 -12.4966 -12.4966 -2.8703 -2.8703 3.6792 3.6792 3.6880 3.6880 4.8644 4.8644 5.1207 5.1207 5.1850 5.1850 5.1931 5.1931 6.0612 6.0612 6.1062 6.1062 6.1853 6.1853 8.6160 8.6160 9.0854 9.0854 9.1813 9.1813 11.7579 11.7579 11.7699 11.7699 11.8709 11.8709 k = 0.4043 0.5000 0.4043 ( 3986 PWs) bands (ev): -31.8284 -31.8284 -31.8259 -31.8259 -31.8234 -31.8234 -13.3046 -13.3046 -13.2550 -13.2550 -13.2505 -13.2505 -13.0030 -13.0030 -12.8703 -12.8703 -12.7496 -12.7496 -12.7429 -12.7429 -12.5096 -12.5096 -12.4977 -12.4977 -2.8830 -2.8830 3.6809 3.6809 3.6918 3.6918 4.8734 4.8734 5.1120 5.1120 5.1890 5.1890 5.1995 5.1995 6.0612 6.0612 6.1157 6.1157 6.2003 6.2003 8.6054 8.6054 9.0646 9.0646 9.1838 9.1838 11.7765 11.7765 11.7904 11.7904 11.8892 11.8892 k = 0.3936 0.5000 0.3936 ( 3982 PWs) bands (ev): -31.8290 -31.8290 -31.8259 -31.8259 -31.8228 -31.8228 -13.3003 -13.3003 -13.2539 -13.2539 -13.2481 -13.2481 -13.0007 -13.0007 -12.8708 -12.8708 -12.7522 -12.7522 -12.7440 -12.7440 -12.5133 -12.5133 -12.4989 -12.4989 -2.8969 -2.8969 3.6827 3.6827 3.6959 3.6959 4.8825 4.8825 5.1026 5.1026 5.1931 5.1931 5.2065 5.2065 6.0616 6.0616 6.1257 6.1257 6.2183 6.2183 8.5930 8.5930 9.0437 9.0437 9.1875 9.1875 11.7957 11.7957 11.8114 11.8114 11.9079 11.9079 k = 0.3830 0.5000 0.3830 ( 3986 PWs) bands (ev): -31.8296 -31.8296 -31.8259 -31.8259 -31.8222 -31.8222 -13.2958 -13.2958 -13.2527 -13.2527 -13.2455 -13.2455 -12.9983 -12.9983 -12.8713 -12.8713 -12.7550 -12.7550 -12.7451 -12.7451 -12.5172 -12.5172 -12.5002 -12.5002 -2.9120 -2.9120 3.6845 3.6845 3.7002 3.7002 4.8911 4.8911 5.0929 5.0929 5.1973 5.1973 5.2140 5.2140 6.0626 6.0626 6.1363 6.1363 6.2392 6.2392 8.5786 8.5786 9.0233 9.0233 9.1927 9.1927 11.8142 11.8142 11.8326 11.8326 11.9261 11.9261 k = 0.3723 0.5000 0.3723 ( 3982 PWs) bands (ev): -31.8303 -31.8303 -31.8259 -31.8259 -31.8216 -31.8216 -13.2912 -13.2912 -13.2513 -13.2513 -13.2425 -13.2425 -12.9956 -12.9956 -12.8718 -12.8718 -12.7580 -12.7580 -12.7464 -12.7464 -12.5214 -12.5214 -12.5015 -12.5015 -2.9283 -2.9283 3.6864 3.6864 3.7046 3.7046 4.8985 4.8985 5.0832 5.0832 5.2013 5.2013 5.2218 5.2218 6.0645 6.0645 6.1477 6.1477 6.2630 6.2630 8.5621 8.5621 9.0042 9.0042 9.1994 9.1994 11.8297 11.8297 11.8540 11.8540 11.9404 11.9405 k = 0.3617 0.5000 0.3617 ( 3990 PWs) bands (ev): -31.8310 -31.8310 -31.8259 -31.8259 -31.8209 -31.8209 -13.2865 -13.2865 -13.2499 -13.2499 -13.2392 -13.2392 -12.9927 -12.9927 -12.8723 -12.8723 -12.7612 -12.7612 -12.7478 -12.7478 -12.5259 -12.5259 -12.5031 -12.5031 -2.9456 -2.9456 3.6884 3.6884 3.7090 3.7090 4.9039 4.9039 5.0743 5.0743 5.2052 5.2052 5.2299 5.2299 6.0675 6.0675 6.1602 6.1602 6.2894 6.2894 8.5431 8.5431 8.9871 8.9871 9.2077 9.2077 11.8388 11.8388 11.8755 11.8755 11.9368 11.9388 k = 0.3511 0.5000 0.3511 ( 4006 PWs) bands (ev): -31.8318 -31.8318 -31.8259 -31.8259 -31.8202 -31.8202 -13.2818 -13.2818 -13.2483 -13.2483 -13.2355 -13.2355 -12.9896 -12.9896 -12.8728 -12.8728 -12.7647 -12.7647 -12.7493 -12.7493 -12.5305 -12.5305 -12.5047 -12.5047 -2.9638 -2.9638 3.6903 3.6903 3.7135 3.7135 4.9062 4.9062 5.0672 5.0672 5.2087 5.2087 5.2380 5.2380 6.0719 6.0719 6.1737 6.1737 6.3182 6.3182 8.5214 8.5214 8.9728 8.9728 9.2176 9.2176 11.8383 11.8383 11.8932 11.8932 11.9206 11.9207 k = 0.3404 0.5000 0.3404 ( 3998 PWs) bands (ev): -31.8326 -31.8326 -31.8260 -31.8260 -31.8194 -31.8194 -13.2773 -13.2773 -13.2467 -13.2467 -13.2314 -13.2314 -12.9863 -12.9863 -12.8732 -12.8732 -12.7682 -12.7682 -12.7509 -12.7509 -12.5353 -12.5353 -12.5064 -12.5064 -2.9829 -2.9829 3.6921 3.6921 3.7179 3.7179 4.9043 4.9043 5.0628 5.0628 5.2118 5.2118 5.2463 5.2463 6.0781 6.0781 6.1885 6.1885 6.3494 6.3494 8.4969 8.4969 8.9617 8.9617 9.2292 9.2292 11.8281 11.8281 11.8854 11.8854 11.9279 11.9282 k = 0.3298 0.5000 0.3298 ( 3990 PWs) bands (ev): -31.8335 -31.8335 -31.8260 -31.8260 -31.8186 -31.8186 -13.2728 -13.2728 -13.2450 -13.2450 -13.2269 -13.2269 -12.9828 -12.9828 -12.8735 -12.8735 -12.7719 -12.7719 -12.7526 -12.7526 -12.5402 -12.5402 -12.5082 -12.5082 -3.0028 -3.0028 3.6939 3.6939 3.7222 3.7222 4.8974 4.8974 5.0617 5.0617 5.2144 5.2144 5.2544 5.2544 6.0863 6.0863 6.2048 6.2048 6.3828 6.3828 8.4696 8.4696 8.9544 8.9544 9.2424 9.2424 11.8105 11.8105 11.8630 11.8630 11.9420 11.9424 k = 0.3191 0.5000 0.3191 ( 3990 PWs) bands (ev): -31.8343 -31.8343 -31.8260 -31.8260 -31.8178 -31.8178 -13.2686 -13.2686 -13.2432 -13.2432 -13.2220 -13.2220 -12.9792 -12.9792 -12.8736 -12.8736 -12.7756 -12.7756 -12.7544 -12.7544 -12.5452 -12.5452 -12.5101 -12.5101 -3.0233 -3.0233 3.6957 3.6957 3.7264 3.7264 4.8855 4.8855 5.0639 5.0639 5.2164 5.2164 5.2624 5.2624 6.0966 6.0966 6.2224 6.2224 6.4182 6.4182 8.4396 8.4396 8.9510 8.9510 9.2572 9.2572 11.7880 11.7880 11.8378 11.8378 11.9495 11.9496 k = 0.3085 0.5000 0.3085 ( 3990 PWs) bands (ev): -31.8352 -31.8352 -31.8260 -31.8260 -31.8170 -31.8170 -13.2647 -13.2647 -13.2413 -13.2413 -13.2169 -13.2169 -12.9754 -12.9754 -12.8737 -12.8737 -12.7795 -12.7795 -12.7563 -12.7563 -12.5502 -12.5502 -12.5121 -12.5121 -3.0445 -3.0445 3.6973 3.6973 3.7303 3.7303 4.8691 4.8691 5.0687 5.0687 5.2176 5.2176 5.2703 5.2703 6.1093 6.1093 6.2416 6.2416 6.4555 6.4555 8.4071 8.4071 8.9517 8.9517 9.2735 9.2735 11.7616 11.7616 11.8110 11.8110 11.9532 11.9533 k = 0.2979 0.5000 0.2979 ( 3978 PWs) bands (ev): -31.8362 -31.8362 -31.8260 -31.8260 -31.8161 -31.8161 -13.2609 -13.2609 -13.2392 -13.2392 -13.2115 -13.2115 -12.9715 -12.9715 -12.8736 -12.8736 -12.7833 -12.7833 -12.7582 -12.7582 -12.5553 -12.5553 -12.5141 -12.5141 -3.0661 -3.0661 3.6987 3.6987 3.7339 3.7339 4.8490 4.8490 5.0755 5.0755 5.2181 5.2181 5.2779 5.2779 6.1244 6.1244 6.2624 6.2624 6.4945 6.4945 8.3723 8.3723 8.9565 8.9565 9.2914 9.2914 11.7322 11.7322 11.7832 11.7832 11.9544 11.9544 k = 0.2872 0.5000 0.2872 ( 3978 PWs) bands (ev): -31.8371 -31.8371 -31.8260 -31.8260 -31.8152 -31.8152 -13.2574 -13.2574 -13.2372 -13.2372 -13.2059 -13.2059 -12.9675 -12.9675 -12.8733 -12.8733 -12.7871 -12.7871 -12.7603 -12.7603 -12.5604 -12.5604 -12.5163 -12.5163 -3.0881 -3.0881 3.7001 3.7001 3.7372 3.7372 4.8260 4.8260 5.0834 5.0834 5.2179 5.2179 5.2853 5.2853 6.1419 6.1419 6.2848 6.2848 6.5352 6.5352 8.3356 8.3356 8.9652 8.9652 9.3106 9.3106 11.6999 11.6999 11.7544 11.7544 11.9531 11.9531 k = 0.2766 0.5000 0.2766 ( 3974 PWs) bands (ev): -31.8381 -31.8381 -31.8260 -31.8260 -31.8143 -31.8143 -13.2543 -13.2543 -13.2350 -13.2350 -13.2002 -13.2002 -12.9634 -12.9634 -12.8729 -12.8729 -12.7909 -12.7909 -12.7624 -12.7624 -12.5656 -12.5656 -12.5185 -12.5185 -3.1104 -3.1104 3.7012 3.7012 3.7401 3.7401 4.8007 4.8007 5.0919 5.0919 5.2168 5.2168 5.2924 5.2924 6.1617 6.1617 6.3088 6.3088 6.5772 6.5772 8.2973 8.2973 8.9776 8.9776 9.3312 9.3312 11.6650 11.6650 11.7250 11.7250 11.9499 11.9499 k = 0.2660 0.5000 0.2660 ( 3972 PWs) bands (ev): -31.8390 -31.8390 -31.8261 -31.8261 -31.8133 -31.8133 -13.2513 -13.2513 -13.2327 -13.2327 -13.1945 -13.1945 -12.9593 -12.9593 -12.8722 -12.8722 -12.7945 -12.7945 -12.7647 -12.7647 -12.5707 -12.5707 -12.5208 -12.5208 -3.1329 -3.1329 3.7022 3.7022 3.7426 3.7426 4.7737 4.7737 5.1005 5.1005 5.2151 5.2151 5.2992 5.2992 6.1838 6.1838 6.3344 6.3344 6.6206 6.6206 8.2578 8.2578 8.9936 8.9936 9.3530 9.3530 11.6276 11.6276 11.6951 11.6951 11.9451 11.9451 k = 0.2553 0.5000 0.2553 ( 3960 PWs) bands (ev): -31.8400 -31.8400 -31.8261 -31.8261 -31.8124 -31.8124 -13.2486 -13.2486 -13.2303 -13.2303 -13.1889 -13.1889 -12.9552 -12.9552 -12.8713 -12.8713 -12.7978 -12.7978 -12.7669 -12.7669 -12.5758 -12.5758 -12.5231 -12.5231 -3.1554 -3.1554 3.7031 3.7031 3.7447 3.7447 4.7454 4.7454 5.1090 5.1090 5.2127 5.2127 5.3057 5.3057 6.2079 6.2079 6.3616 6.3616 6.6650 6.6650 8.2174 8.2174 9.0128 9.0128 9.3760 9.3760 11.5878 11.5878 11.6651 11.6651 11.9390 11.9390 k = 0.2447 0.5000 0.2447 ( 3960 PWs) bands (ev): -31.8410 -31.8410 -31.8261 -31.8261 -31.8115 -31.8115 -13.2461 -13.2461 -13.2279 -13.2279 -13.1835 -13.1835 -12.9511 -12.9511 -12.8703 -12.8703 -12.8008 -12.8008 -12.7693 -12.7693 -12.5808 -12.5808 -12.5255 -12.5255 -3.1779 -3.1779 3.7038 3.7038 3.7464 3.7464 4.7161 4.7161 5.1171 5.1171 5.2097 5.2097 5.3118 5.3118 6.2340 6.2340 6.3903 6.3903 6.7102 6.7102 8.1763 8.1763 9.0349 9.0349 9.4000 9.4000 11.5458 11.5458 11.6351 11.6351 11.9322 11.9322 k = 0.2340 0.5000 0.2340 ( 3966 PWs) bands (ev): -31.8420 -31.8420 -31.8261 -31.8261 -31.8106 -31.8106 -13.2440 -13.2440 -13.2253 -13.2253 -13.1782 -13.1782 -12.9472 -12.9472 -12.8692 -12.8692 -12.8034 -12.8034 -12.7718 -12.7718 -12.5858 -12.5858 -12.5279 -12.5279 -3.2004 -3.2004 3.7043 3.7043 3.7475 3.7475 4.6863 4.6863 5.1247 5.1247 5.2063 5.2063 5.3177 5.3177 6.2616 6.2616 6.4203 6.4203 6.7562 6.7562 8.1348 8.1348 9.0597 9.0597 9.4249 9.4249 11.5018 11.5018 11.6053 11.6053 11.9248 11.9248 k = 0.2234 0.5000 0.2234 ( 3978 PWs) bands (ev): -31.8429 -31.8429 -31.8261 -31.8261 -31.8096 -31.8096 -13.2422 -13.2422 -13.2227 -13.2227 -13.1733 -13.1733 -12.9434 -12.9434 -12.8681 -12.8681 -12.8054 -12.8054 -12.7743 -12.7743 -12.5908 -12.5908 -12.5304 -12.5304 -3.2226 -3.2226 3.7046 3.7046 3.7481 3.7481 4.6562 4.6562 5.1315 5.1315 5.2027 5.2027 5.3231 5.3231 6.2906 6.2906 6.4517 6.4517 6.8026 6.8026 8.0931 8.0931 9.0868 9.0868 9.4506 9.4506 11.4562 11.4562 11.5759 11.5759 11.9172 11.9172 k = 0.2128 0.5000 0.2128 ( 3980 PWs) bands (ev): -31.8439 -31.8439 -31.8262 -31.8262 -31.8087 -31.8087 -13.2405 -13.2405 -13.2200 -13.2200 -13.1686 -13.1686 -12.9397 -12.9397 -12.8670 -12.8670 -12.8068 -12.8068 -12.7769 -12.7769 -12.5957 -12.5957 -12.5328 -12.5328 -3.2445 -3.2445 3.7048 3.7048 3.7481 3.7481 4.6261 4.6261 5.1376 5.1376 5.1990 5.1990 5.3283 5.3283 6.3207 6.3207 6.4844 6.4844 6.8492 6.8492 8.0516 8.0516 9.1159 9.1159 9.4770 9.4770 11.4093 11.4093 11.5472 11.5472 11.9095 11.9095 k = 0.2021 0.5000 0.2021 ( 3984 PWs) bands (ev): -31.8448 -31.8448 -31.8262 -31.8262 -31.8078 -31.8078 -13.2390 -13.2390 -13.2172 -13.2172 -13.1643 -13.1643 -12.9361 -12.9361 -12.8661 -12.8661 -12.8073 -12.8073 -12.7794 -12.7794 -12.6005 -12.6005 -12.5353 -12.5353 -3.2660 -3.2660 3.7048 3.7048 3.7477 3.7477 4.5963 4.5963 5.1426 5.1426 5.1955 5.1955 5.3331 5.3331 6.3515 6.3515 6.5180 6.5180 6.8958 6.8958 8.0102 8.0102 9.1466 9.1466 9.5039 9.5039 11.3614 11.3614 11.5194 11.5194 11.9020 11.9020 k = 0.1915 0.5000 0.1915 ( 3974 PWs) bands (ev): -31.8457 -31.8457 -31.8262 -31.8262 -31.8070 -31.8070 -13.2378 -13.2378 -13.2143 -13.2143 -13.1604 -13.1604 -12.9327 -12.9327 -12.8654 -12.8654 -12.8069 -12.8069 -12.7818 -12.7818 -12.6053 -12.6053 -12.5377 -12.5377 -3.2869 -3.2869 3.7047 3.7047 3.7467 3.7467 4.5670 4.5670 5.1464 5.1464 5.1925 5.1925 5.3376 5.3376 6.3829 6.3829 6.5527 6.5527 6.9422 6.9422 7.9693 7.9693 9.1786 9.1786 9.5313 9.5313 11.3131 11.3131 11.4925 11.4925 11.8948 11.8948 k = 0.1809 0.5000 0.1809 ( 3988 PWs) bands (ev): -31.8467 -31.8467 -31.8262 -31.8262 -31.8061 -31.8061 -13.2368 -13.2368 -13.2114 -13.2114 -13.1569 -13.1569 -12.9294 -12.9294 -12.8651 -12.8651 -12.8059 -12.8059 -12.7841 -12.7841 -12.6100 -12.6100 -12.5402 -12.5402 -3.3074 -3.3074 3.7044 3.7044 3.7451 3.7451 4.5384 4.5384 5.1487 5.1487 5.1903 5.1903 5.3417 5.3417 6.4144 6.4144 6.5881 6.5881 6.9881 6.9881 7.9289 7.9289 9.2115 9.2115 9.5589 9.5589 11.2645 11.2645 11.4668 11.4668 11.8877 11.8877 k = 0.1702 0.5000 0.1702 ( 3976 PWs) bands (ev): -31.8475 -31.8475 -31.8262 -31.8262 -31.8053 -31.8053 -13.2360 -13.2360 -13.2084 -13.2084 -13.1538 -13.1538 -12.9263 -12.9263 -12.8650 -12.8650 -12.8043 -12.8043 -12.7859 -12.7859 -12.6147 -12.6147 -12.5426 -12.5426 -3.3271 -3.3271 3.7040 3.7040 3.7431 3.7431 4.5109 4.5109 5.1493 5.1493 5.1892 5.1892 5.3456 5.3456 6.4458 6.4458 6.6241 6.6241 7.0333 7.0333 7.8891 7.8891 9.2448 9.2448 9.5866 9.5866 11.2163 11.2163 11.4424 11.4424 11.8811 11.8811 k = 0.1596 0.5000 0.1596 ( 3976 PWs) bands (ev): -31.8484 -31.8484 -31.8263 -31.8263 -31.8045 -31.8045 -13.2353 -13.2353 -13.2055 -13.2055 -13.1511 -13.1511 -12.9233 -12.9233 -12.8653 -12.8653 -12.8029 -12.8029 -12.7866 -12.7866 -12.6193 -12.6193 -12.5449 -12.5449 -3.3461 -3.3461 3.7036 3.7036 3.7406 3.7406 4.4845 4.4845 5.1483 5.1483 5.1893 5.1893 5.3491 5.3491 6.4769 6.4769 6.6605 6.6605 7.0775 7.0775 7.8501 7.8501 9.2783 9.2783 9.6142 9.6142 11.1687 11.1687 11.4194 11.4194 11.8748 11.8748 k = 0.1489 0.5000 0.1489 ( 3988 PWs) bands (ev): -31.8492 -31.8492 -31.8263 -31.8263 -31.8037 -31.8037 -13.2349 -13.2349 -13.2026 -13.2026 -13.1488 -13.1488 -12.9206 -12.9206 -12.8657 -12.8657 -12.8026 -12.8026 -12.7856 -12.7856 -12.6240 -12.6240 -12.5473 -12.5473 -3.3643 -3.3643 3.7030 3.7030 3.7376 3.7376 4.4594 4.4594 5.1460 5.1460 5.1902 5.1902 5.3524 5.3524 6.5073 6.5073 6.6971 6.6971 7.1204 7.1204 7.8120 7.8120 9.3114 9.3114 9.6415 9.6415 11.1221 11.1221 11.3979 11.3979 11.8688 11.8688 k = 0.1383 0.5000 0.1383 ( 3988 PWs) bands (ev): -31.8499 -31.8499 -31.8263 -31.8263 -31.8030 -31.8030 -13.2346 -13.2346 -13.1997 -13.1997 -13.1469 -13.1469 -12.9180 -12.9180 -12.8661 -12.8661 -12.8038 -12.8038 -12.7824 -12.7824 -12.6286 -12.6286 -12.5495 -12.5495 -3.3815 -3.3815 3.7024 3.7024 3.7343 3.7343 4.4358 4.4358 5.1429 5.1429 5.1918 5.1918 5.3554 5.3554 6.5368 6.5368 6.7337 6.7337 7.1618 7.1618 7.7748 7.7748 9.3438 9.3438 9.6684 9.6684 11.0770 11.0770 11.3780 11.3780 11.8632 11.8632 k = 0.1277 0.5000 0.1277 ( 3980 PWs) bands (ev): -31.8506 -31.8506 -31.8263 -31.8263 -31.8023 -31.8023 -13.2344 -13.2344 -13.1968 -13.1968 -13.1453 -13.1453 -12.9155 -12.9155 -12.8664 -12.8664 -12.8059 -12.8059 -12.7778 -12.7778 -12.6331 -12.6331 -12.5516 -12.5516 -3.3978 -3.3978 3.7018 3.7018 3.7307 3.7307 4.4138 4.4138 5.1393 5.1393 5.1935 5.1935 5.3581 5.3581 6.5652 6.5652 6.7702 6.7702 7.2015 7.2015 7.7387 7.7387 9.3752 9.3752 9.6947 9.6947 11.0337 11.0337 11.3598 11.3598 11.8580 11.8580 k = 0.1170 0.5000 0.1170 ( 3982 PWs) bands (ev): -31.8513 -31.8513 -31.8263 -31.8263 -31.8017 -31.8017 -13.2343 -13.2343 -13.1939 -13.1939 -13.1442 -13.1442 -12.9133 -12.9133 -12.8666 -12.8666 -12.8086 -12.8086 -12.7723 -12.7723 -12.6377 -12.6377 -12.5535 -12.5535 -3.4130 -3.4130 3.7011 3.7011 3.7268 3.7268 4.3935 4.3935 5.1355 5.1355 5.1953 5.1953 5.3606 5.3606 6.5922 6.5922 6.8063 6.8063 7.2391 7.2391 7.7038 7.7038 9.4051 9.4051 9.7200 9.7200 10.9924 10.9924 11.3432 11.3432 11.8531 11.8531 k = 0.1064 0.5000 0.1064 ( 3982 PWs) bands (ev): -31.8520 -31.8520 -31.8263 -31.8263 -31.8011 -31.8011 -13.2344 -13.2344 -13.1912 -13.1912 -13.1433 -13.1433 -12.9114 -12.9114 -12.8664 -12.8664 -12.8116 -12.8116 -12.7664 -12.7664 -12.6423 -12.6423 -12.5554 -12.5554 -3.4272 -3.4272 3.7004 3.7004 3.7227 3.7227 4.3749 4.3749 5.1317 5.1317 5.1971 5.1971 5.3628 5.3628 6.6176 6.6176 6.8417 6.8417 7.2744 7.2744 7.6700 7.6700 9.4333 9.4333 9.7443 9.7443 10.9536 10.9536 11.3283 11.3283 11.8486 11.8486 k = 0.0957 0.5000 0.0957 ( 3986 PWs) bands (ev): -31.8525 -31.8525 -31.8264 -31.8264 -31.8005 -31.8005 -13.2345 -13.2345 -13.1885 -13.1885 -13.1427 -13.1427 -12.9097 -12.9097 -12.8659 -12.8659 -12.8148 -12.8148 -12.7602 -12.7602 -12.6470 -12.6470 -12.5572 -12.5572 -3.4401 -3.4401 3.6997 3.6997 3.7186 3.7186 4.3580 4.3580 5.1281 5.1281 5.1987 5.1987 5.3648 5.3648 6.6412 6.6412 6.8763 6.8763 7.3073 7.3073 7.6376 7.6376 9.4594 9.4594 9.7672 9.7672 10.9174 10.9174 11.3151 11.3151 11.8444 11.8445 k = 0.0851 0.5000 0.0851 ( 3986 PWs) bands (ev): -31.8531 -31.8531 -31.8264 -31.8264 -31.8000 -31.8000 -13.2347 -13.2347 -13.1860 -13.1860 -13.1423 -13.1423 -12.9084 -12.9084 -12.8650 -12.8650 -12.8181 -12.8181 -12.7538 -12.7538 -12.6516 -12.6516 -12.5588 -12.5588 -3.4519 -3.4519 3.6990 3.6990 3.7146 3.7146 4.3430 4.3430 5.1246 5.1246 5.2002 5.2002 5.3665 5.3665 6.6628 6.6628 6.9097 6.9097 7.3373 7.3373 7.6067 7.6067 9.4833 9.4833 9.7885 9.7885 10.8842 10.8842 11.3035 11.3035 11.8407 11.8407 k = 0.0745 0.5000 0.0745 ( 3990 PWs) bands (ev): -31.8535 -31.8535 -31.8264 -31.8264 -31.7996 -31.7996 -13.2349 -13.2349 -13.1836 -13.1836 -13.1422 -13.1422 -12.9073 -12.9073 -12.8637 -12.8637 -12.8215 -12.8215 -12.7474 -12.7474 -12.6563 -12.6563 -12.5602 -12.5602 -3.4624 -3.4624 3.6984 3.6984 3.7107 3.7107 4.3299 4.3299 5.1215 5.1215 5.2015 5.2015 5.3681 5.3681 6.6823 6.6823 6.9415 6.9415 7.3644 7.3644 7.5774 7.5774 9.5047 9.5047 9.8079 9.8079 10.8542 10.8542 11.2935 11.2935 11.8373 11.8373 k = 0.0638 0.5000 0.0638 ( 3994 PWs) bands (ev): -31.8539 -31.8539 -31.8264 -31.8264 -31.7992 -31.7992 -13.2352 -13.2352 -13.1815 -13.1815 -13.1422 -13.1422 -12.9064 -12.9064 -12.8619 -12.8619 -12.8249 -12.8249 -12.7410 -12.7410 -12.6610 -12.6610 -12.5615 -12.5615 -3.4715 -3.4715 3.6978 3.6978 3.7071 3.7071 4.3185 4.3185 5.1186 5.1186 5.2026 5.2026 5.3694 5.3694 6.6995 6.6995 6.9714 6.9714 7.3883 7.3883 7.5501 7.5501 9.5235 9.5235 9.8253 9.8253 10.8278 10.8278 11.2851 11.2851 11.8343 11.8343 k = 0.0532 0.5000 0.0532 ( 4000 PWs) bands (ev): -31.8543 -31.8543 -31.8264 -31.8264 -31.7988 -31.7988 -13.2355 -13.2355 -13.1795 -13.1795 -13.1424 -13.1424 -12.9059 -12.9059 -12.8599 -12.8599 -12.8283 -12.8283 -12.7349 -12.7349 -12.6657 -12.6657 -12.5626 -12.5626 -3.4793 -3.4793 3.6973 3.6973 3.7038 3.7038 4.3089 4.3089 5.1162 5.1162 5.2035 5.2035 5.3705 5.3705 6.7143 6.7143 6.9989 6.9989 7.4088 7.4088 7.5252 7.5252 9.5396 9.5396 9.8404 9.8404 10.8050 10.8050 11.2782 11.2782 11.8317 11.8317 k = 0.0426 0.5000 0.0426 ( 3992 PWs) bands (ev): -31.8546 -31.8546 -31.8264 -31.8264 -31.7986 -31.7986 -13.2356 -13.2356 -13.1778 -13.1778 -13.1426 -13.1426 -12.9054 -12.9054 -12.8574 -12.8574 -12.8318 -12.8318 -12.7290 -12.7290 -12.6702 -12.6702 -12.5635 -12.5635 -3.4858 -3.4858 3.6969 3.6969 3.7010 3.7010 4.3011 4.3011 5.1141 5.1141 5.2043 5.2043 5.3714 5.3714 6.7266 6.7266 7.0233 7.0233 7.4257 7.4257 7.5031 7.5031 9.5529 9.5529 9.8530 9.8530 10.7862 10.7862 11.2726 11.2726 11.8296 11.8296 k = 0.0319 0.5000 0.0319 ( 3988 PWs) bands (ev): -31.8548 -31.8548 -31.8264 -31.8264 -31.7983 -31.7983 -13.2358 -13.2358 -13.1763 -13.1763 -13.1429 -13.1429 -12.9051 -12.9051 -12.8547 -12.8547 -12.8352 -12.8352 -12.7236 -12.7236 -12.6745 -12.6745 -12.5642 -12.5642 -3.4908 -3.4908 3.6965 3.6965 3.6987 3.6987 4.2951 4.2951 5.1125 5.1125 5.2048 5.2048 5.3721 5.3721 6.7362 6.7362 7.0438 7.0438 7.4387 7.4387 7.4849 7.4849 9.5632 9.5632 9.8631 9.8631 10.7713 10.7713 11.2684 11.2684 11.8279 11.8279 k = 0.0213 0.5000 0.0213 ( 3984 PWs) bands (ev): -31.8550 -31.8550 -31.8264 -31.8264 -31.7982 -31.7982 -13.2359 -13.2359 -13.1753 -13.1753 -13.1431 -13.1431 -12.9049 -12.9049 -12.8518 -12.8518 -12.8386 -12.8386 -12.7191 -12.7191 -12.6783 -12.6783 -12.5647 -12.5647 -3.4944 -3.4944 3.6961 3.6961 3.6971 3.6971 4.2908 4.2908 5.1114 5.1114 5.2052 5.2052 5.3726 5.3726 6.7432 6.7432 7.0595 7.0595 7.4472 7.4472 7.4717 7.4717 9.5707 9.5707 9.8703 9.8703 10.7606 10.7606 11.2654 11.2654 11.8267 11.8267 k = 0.0106 0.5000 0.0106 ( 3980 PWs) bands (ev): -31.8551 -31.8551 -31.8264 -31.8264 -31.7981 -31.7981 -13.2359 -13.2359 -13.1746 -13.1746 -13.1433 -13.1433 -12.9048 -12.9048 -12.8488 -12.8488 -12.8418 -12.8418 -12.7159 -12.7159 -12.6810 -12.6810 -12.5651 -12.5651 -3.4966 -3.4966 3.6957 3.6957 3.6964 3.6964 4.2882 4.2882 5.1107 5.1107 5.2055 5.2055 5.3729 5.3729 6.7473 6.7473 7.0694 7.0694 7.4504 7.4504 7.4653 7.4653 9.5752 9.5752 9.8747 9.8747 10.7541 10.7541 11.2636 11.2636 11.8260 11.8260 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -31.8551 -31.8551 -31.8264 -31.8264 -31.7980 -31.7980 -13.2360 -13.2360 -13.1744 -13.1744 -13.1434 -13.1434 -12.9047 -12.9047 -12.8466 -12.8466 -12.8441 -12.8441 -12.7147 -12.7147 -12.6820 -12.6820 -12.5652 -12.5652 -3.4973 -3.4973 3.6955 3.6955 3.6963 3.6963 4.2874 4.2874 5.1104 5.1104 5.2056 5.2056 5.3730 5.3730 6.7487 6.7487 7.0728 7.0728 7.4503 7.4503 7.4642 7.4642 9.5767 9.5767 9.8762 9.8762 10.7519 10.7519 11.2630 11.2630 11.8257 11.8257 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.8265 -31.8265 -31.8261 -31.8261 -31.8261 -31.8261 -13.2447 -13.2447 -13.2026 -13.2026 -13.1743 -13.1743 -12.9105 -12.9105 -12.8777 -12.8777 -12.8540 -12.8540 -12.7346 -12.7346 -12.6698 -12.6698 -12.4972 -12.4972 -3.1537 -3.1537 3.7381 3.7381 3.7583 3.7583 4.9811 4.9811 5.1717 5.1717 5.3450 5.3450 5.3589 5.3589 5.8251 5.8251 5.8563 5.8563 7.1202 7.1202 8.2609 8.2609 8.5331 8.5331 9.7231 9.7231 11.7450 11.7450 11.7529 11.7529 11.9136 11.9137 k = 0.5000 0.5000 0.0152 ( 3996 PWs) bands (ev): -31.8265 -31.8265 -31.8261 -31.8261 -31.8261 -31.8261 -13.2447 -13.2447 -13.2028 -13.2028 -13.1745 -13.1745 -12.9112 -12.9112 -12.8777 -12.8777 -12.8532 -12.8532 -12.7348 -12.7348 -12.6689 -12.6689 -12.4972 -12.4972 -3.1530 -3.1530 3.7380 3.7380 3.7581 3.7581 4.9813 4.9813 5.1708 5.1708 5.3444 5.3444 5.3582 5.3582 5.8260 5.8260 5.8575 5.8575 7.1173 7.1173 8.2615 8.2615 8.5340 8.5340 9.7218 9.7218 11.7455 11.7455 11.7534 11.7534 11.9143 11.9143 k = 0.5000 0.5000 0.0303 ( 3992 PWs) bands (ev): -31.8265 -31.8265 -31.8261 -31.8261 -31.8261 -31.8261 -13.2448 -13.2448 -13.2035 -13.2035 -13.1754 -13.1754 -12.9133 -12.9133 -12.8778 -12.8778 -12.8510 -12.8510 -12.7357 -12.7357 -12.6666 -12.6666 -12.4971 -12.4971 -3.1509 -3.1509 3.7377 3.7377 3.7576 3.7576 4.9819 4.9819 5.1681 5.1681 5.3424 5.3424 5.3561 5.3561 5.8288 5.8288 5.8612 5.8612 7.1087 7.1087 8.2635 8.2635 8.5368 8.5368 9.7177 9.7177 11.7469 11.7469 11.7548 11.7548 11.9162 11.9164 k = 0.5000 0.5000 0.0455 ( 3992 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8261 -31.8261 -13.2449 -13.2449 -13.2048 -13.2048 -13.1768 -13.1768 -12.9165 -12.9165 -12.8779 -12.8779 -12.8477 -12.8477 -12.7369 -12.7369 -12.6628 -12.6628 -12.4971 -12.4971 -3.1474 -3.1474 3.7371 3.7371 3.7567 3.7567 4.9829 4.9829 5.1637 5.1637 5.3392 5.3392 5.3528 5.3528 5.8334 5.8334 5.8671 5.8671 7.0945 7.0945 8.2669 8.2669 8.5414 8.5414 9.7111 9.7111 11.7493 11.7493 11.7571 11.7571 11.9192 11.9193 k = 0.5000 0.5000 0.0606 ( 3984 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8261 -31.8261 -13.2451 -13.2451 -13.2065 -13.2065 -13.1786 -13.1786 -12.9205 -12.9205 -12.8781 -12.8781 -12.8435 -12.8435 -12.7384 -12.7384 -12.6579 -12.6579 -12.4970 -12.4970 -3.1425 -3.1425 3.7364 3.7364 3.7555 3.7555 4.9843 4.9843 5.1575 5.1575 5.3350 5.3350 5.3483 5.3483 5.8396 5.8396 5.8750 5.8750 7.0748 7.0748 8.2715 8.2715 8.5479 8.5479 9.7017 9.7017 11.7526 11.7526 11.7603 11.7603 11.9232 11.9233 k = 0.5000 0.5000 0.0758 ( 3976 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8261 -31.8261 -13.2453 -13.2453 -13.2087 -13.2087 -13.1810 -13.1810 -12.9250 -12.9250 -12.8783 -12.8783 -12.8387 -12.8387 -12.7399 -12.7399 -12.6520 -12.6520 -12.4969 -12.4969 -3.1363 -3.1363 3.7354 3.7354 3.7539 3.7539 4.9863 4.9863 5.1496 5.1496 5.3301 5.3301 5.3427 5.3427 5.8473 5.8473 5.8847 5.8847 7.0501 7.0501 8.2776 8.2776 8.5564 8.5564 9.6899 9.6899 11.7570 11.7570 11.7645 11.7645 11.9281 11.9281 k = 0.5000 0.5000 0.0909 ( 3992 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8261 -31.8261 -13.2457 -13.2457 -13.2114 -13.2114 -13.1839 -13.1839 -12.9299 -12.9299 -12.8785 -12.8785 -12.8337 -12.8337 -12.7415 -12.7415 -12.6454 -12.6454 -12.4969 -12.4969 -3.1288 -3.1288 3.7342 3.7342 3.7520 3.7520 4.9886 4.9886 5.1401 5.1401 5.3245 5.3245 5.3362 5.3362 5.8562 5.8562 5.8958 5.8958 7.0206 7.0206 8.2850 8.2850 8.5666 8.5666 9.6756 9.6756 11.7622 11.7622 11.7696 11.7696 11.9335 11.9336 k = 0.5000 0.5000 0.1061 ( 3992 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8261 -31.8261 -13.2460 -13.2460 -13.2145 -13.2145 -13.1872 -13.1872 -12.9349 -12.9349 -12.8786 -12.8786 -12.8283 -12.8283 -12.7428 -12.7428 -12.6383 -12.6383 -12.4968 -12.4968 -3.1201 -3.1201 3.7327 3.7327 3.7499 3.7499 4.9916 4.9916 5.1291 5.1291 5.3185 5.3185 5.3289 5.3289 5.8662 5.8662 5.9081 5.9081 6.9868 6.9868 8.2938 8.2938 8.5789 8.5789 9.6589 9.6589 11.7685 11.7685 11.7755 11.7755 11.9394 11.9394 k = 0.5000 0.5000 0.1212 ( 3992 PWs) bands (ev): -31.8264 -31.8264 -31.8261 -31.8261 -31.8260 -31.8260 -13.2465 -13.2465 -13.2181 -13.2181 -13.1908 -13.1908 -12.9399 -12.9399 -12.8787 -12.8787 -12.8229 -12.8229 -12.7440 -12.7440 -12.6306 -12.6306 -12.4967 -12.4967 -3.1102 -3.1102 3.7311 3.7311 3.7474 3.7474 4.9950 4.9950 5.1168 5.1168 5.3123 5.3123 5.3209 5.3209 5.8770 5.8770 5.9212 5.9212 6.9492 6.9492 8.3041 8.3041 8.5930 8.5930 9.6401 9.6401 11.7756 11.7756 11.7824 11.7824 11.9453 11.9454 k = 0.5000 0.5000 0.1364 ( 3992 PWs) bands (ev): -31.8263 -31.8263 -31.8260 -31.8260 -31.8260 -31.8260 -13.2470 -13.2470 -13.2221 -13.2221 -13.1946 -13.1946 -12.9450 -12.9450 -12.8786 -12.8786 -12.8173 -12.8173 -12.7450 -12.7450 -12.6227 -12.6227 -12.4965 -12.4965 -3.0992 -3.0992 3.7292 3.7292 3.7446 3.7446 4.9991 4.9991 5.1034 5.1034 5.3059 5.3059 5.3125 5.3125 5.8885 5.8885 5.9348 5.9348 6.9082 6.9082 8.3158 8.3158 8.6091 8.6091 9.6191 9.6191 11.7837 11.7837 11.7900 11.7900 11.9511 11.9512 k = 0.5000 0.5000 0.1515 ( 4000 PWs) bands (ev): -31.8263 -31.8263 -31.8260 -31.8260 -31.8260 -31.8260 -13.2475 -13.2475 -13.2265 -13.2265 -13.1987 -13.1987 -12.9501 -12.9501 -12.8785 -12.8785 -12.8119 -12.8119 -12.7457 -12.7457 -12.6146 -12.6146 -12.4964 -12.4964 -3.0873 -3.0873 3.7271 3.7271 3.7416 3.7416 5.0037 5.0037 5.0890 5.0890 5.2994 5.2994 5.3037 5.3037 5.9003 5.9003 5.9486 5.9486 6.8643 6.8643 8.3288 8.3288 8.6271 8.6271 9.5963 9.5963 11.7925 11.7925 11.7983 11.7983 11.9564 11.9564 k = 0.5000 0.5000 0.1667 ( 4008 PWs) bands (ev): -31.8263 -31.8263 -31.8260 -31.8260 -31.8260 -31.8260 -13.2481 -13.2481 -13.2313 -13.2313 -13.2029 -13.2029 -12.9551 -12.9551 -12.8784 -12.8784 -12.8064 -12.8064 -12.7463 -12.7463 -12.6064 -12.6064 -12.4962 -12.4962 -3.0744 -3.0744 3.7247 3.7247 3.7384 3.7384 5.0089 5.0089 5.0738 5.0738 5.2928 5.2928 5.2946 5.2946 5.9124 5.9124 5.9625 5.9625 6.8181 6.8181 8.3433 8.3433 8.6470 8.6470 9.5718 9.5718 11.8020 11.8020 11.8072 11.8072 11.9609 11.9610 k = 0.5000 0.5000 0.1818 ( 3996 PWs) bands (ev): -31.8263 -31.8263 -31.8260 -31.8260 -31.8260 -31.8260 -13.2487 -13.2487 -13.2363 -13.2363 -13.2071 -13.2071 -12.9599 -12.9599 -12.8780 -12.8780 -12.8010 -12.8010 -12.7466 -12.7466 -12.5980 -12.5980 -12.4960 -12.4960 -3.0608 -3.0608 3.7222 3.7222 3.7349 3.7349 5.0148 5.0148 5.0581 5.0581 5.2853 5.2853 5.2861 5.2861 5.9245 5.9245 5.9763 5.9763 6.7703 6.7703 8.3591 8.3591 8.6689 8.6689 9.5459 9.5459 11.8122 11.8122 11.8165 11.8165 11.9646 11.9646 k = 0.5000 0.5000 0.1970 ( 3992 PWs) bands (ev): -31.8262 -31.8262 -31.8260 -31.8260 -31.8260 -31.8260 -13.2493 -13.2493 -13.2417 -13.2417 -13.2113 -13.2113 -12.9646 -12.9646 -12.8776 -12.8776 -12.7957 -12.7957 -12.7468 -12.7468 -12.5897 -12.5897 -12.4958 -12.4958 -3.0464 -3.0464 3.7195 3.7195 3.7313 3.7313 5.0212 5.0212 5.0420 5.0420 5.2760 5.2760 5.2793 5.2793 5.9365 5.9365 5.9897 5.9897 6.7212 6.7212 8.3761 8.3761 8.6925 8.6925 9.5188 9.5188 11.8227 11.8227 11.8259 11.8259 11.9672 11.9673 k = 0.5000 0.5000 0.2121 ( 3992 PWs) bands (ev): -31.8262 -31.8262 -31.8260 -31.8260 -31.8260 -31.8260 -13.2500 -13.2500 -13.2474 -13.2474 -13.2155 -13.2155 -12.9691 -12.9691 -12.8771 -12.8771 -12.7906 -12.7906 -12.7468 -12.7468 -12.5816 -12.5816 -12.4956 -12.4956 -3.0315 -3.0315 3.7167 3.7167 3.7275 3.7275 5.0257 5.0257 5.0283 5.0283 5.2667 5.2667 5.2725 5.2725 5.9484 5.9484 6.0026 6.0026 6.6715 6.6715 8.3943 8.3943 8.7178 8.7178 9.4908 9.4908 11.8333 11.8333 11.8351 11.8351 11.9688 11.9691 k = 0.5000 0.5000 0.2273 ( 3984 PWs) bands (ev): -31.8262 -31.8262 -31.8260 -31.8260 -31.8260 -31.8260 -13.2532 -13.2532 -13.2506 -13.2506 -13.2195 -13.2195 -12.9734 -12.9734 -12.8765 -12.8765 -12.7856 -12.7856 -12.7466 -12.7466 -12.5735 -12.5735 -12.4954 -12.4954 -3.0162 -3.0162 3.7137 3.7137 3.7236 3.7236 5.0093 5.0093 5.0358 5.0358 5.2575 5.2575 5.2656 5.2656 5.9598 5.9598 6.0149 6.0149 6.6216 6.6216 8.4136 8.4136 8.7447 8.7447 9.4622 9.4622 11.8436 11.8436 11.8437 11.8437 11.9696 11.9711 k = 0.5000 0.5000 0.2424 ( 3992 PWs) bands (ev): -31.8262 -31.8262 -31.8260 -31.8260 -31.8260 -31.8260 -13.2592 -13.2592 -13.2514 -13.2514 -13.2235 -13.2235 -12.9776 -12.9776 -12.8759 -12.8759 -12.7809 -12.7809 -12.7463 -12.7463 -12.5657 -12.5657 -12.4952 -12.4952 -3.0006 -3.0006 3.7105 3.7105 3.7196 3.7196 4.9930 4.9930 5.0439 5.0439 5.2484 5.2484 5.2586 5.2586 5.9708 5.9708 6.0265 6.0265 6.5721 6.5721 8.4337 8.4337 8.7732 8.7732 9.4333 9.4333 11.8506 11.8506 11.8533 11.8533 11.9708 11.9743 k = 0.5000 0.5000 0.2576 ( 3992 PWs) bands (ev): -31.8261 -31.8261 -31.8260 -31.8260 -31.8260 -31.8260 -13.2652 -13.2652 -13.2521 -13.2521 -13.2273 -13.2273 -12.9815 -12.9815 -12.8753 -12.8753 -12.7763 -12.7763 -12.7459 -12.7459 -12.5581 -12.5581 -12.4950 -12.4950 -2.9848 -2.9848 3.7073 3.7073 3.7155 3.7155 4.9768 4.9768 5.0524 5.0524 5.2395 5.2395 5.2515 5.2515 5.9813 5.9813 6.0373 6.0373 6.5234 6.5234 8.4544 8.4544 8.8029 8.8029 9.4046 9.4046 11.8553 11.8553 11.8609 11.8609 11.9579 11.9579 k = 0.5000 0.5000 0.2727 ( 3992 PWs) bands (ev): -31.8261 -31.8261 -31.8259 -31.8259 -31.8259 -31.8259 -13.2713 -13.2713 -13.2528 -13.2528 -13.2310 -13.2310 -12.9853 -12.9853 -12.8746 -12.8746 -12.7719 -12.7719 -12.7455 -12.7455 -12.5508 -12.5508 -12.4948 -12.4948 -2.9689 -2.9689 3.7041 3.7041 3.7114 3.7114 4.9610 4.9610 5.0611 5.0611 5.2310 5.2310 5.2443 5.2443 5.9913 5.9913 6.0473 6.0473 6.4761 6.4761 8.4755 8.4755 8.8336 8.8336 9.3763 9.3763 11.8567 11.8567 11.8647 11.8647 11.9403 11.9403 k = 0.5000 0.5000 0.2879 ( 4000 PWs) bands (ev): -31.8261 -31.8261 -31.8259 -31.8259 -31.8259 -31.8259 -13.2772 -13.2772 -13.2536 -13.2536 -13.2345 -13.2345 -12.9888 -12.9888 -12.8739 -12.8739 -12.7678 -12.7678 -12.7449 -12.7449 -12.5438 -12.5438 -12.4946 -12.4946 -2.9532 -2.9532 3.7008 3.7008 3.7073 3.7073 4.9457 4.9457 5.0702 5.0702 5.2227 5.2227 5.2372 5.2372 6.0006 6.0006 6.0564 6.0564 6.4305 6.4305 8.4966 8.4966 8.8652 8.8652 9.3489 9.3489 11.8540 11.8540 11.8614 11.8614 11.9267 11.9267 k = 0.5000 0.5000 0.3030 ( 4008 PWs) bands (ev): -31.8261 -31.8261 -31.8259 -31.8259 -31.8259 -31.8259 -13.2830 -13.2830 -13.2544 -13.2544 -13.2379 -13.2379 -12.9921 -12.9921 -12.8732 -12.8732 -12.7639 -12.7639 -12.7443 -12.7443 -12.5372 -12.5372 -12.4944 -12.4944 -2.9378 -2.9378 3.6975 3.6975 3.7033 3.7033 4.9308 4.9308 5.0793 5.0793 5.2148 5.2148 5.2300 5.2300 6.0092 6.0092 6.0646 6.0646 6.3870 6.3870 8.5176 8.5176 8.8974 8.8974 9.3227 9.3227 11.8471 11.8471 11.8494 11.8494 11.9186 11.9186 k = 0.5000 0.5000 0.3182 ( 4000 PWs) bands (ev): -31.8260 -31.8260 -31.8259 -31.8259 -31.8259 -31.8259 -13.2886 -13.2886 -13.2550 -13.2550 -13.2410 -13.2410 -12.9951 -12.9951 -12.8725 -12.8725 -12.7602 -12.7602 -12.7437 -12.7437 -12.5309 -12.5309 -12.4942 -12.4942 -2.9227 -2.9227 3.6943 3.6943 3.6993 3.6993 4.9165 4.9165 5.0885 5.0885 5.2074 5.2074 5.2229 5.2229 6.0172 6.0172 6.0718 6.0718 6.3461 6.3461 8.5379 8.5379 8.9297 8.9297 9.2982 9.2982 11.8318 11.8318 11.8362 11.8362 11.9128 11.9128 k = 0.5000 0.5000 0.3333 ( 4000 PWs) bands (ev): -31.8260 -31.8260 -31.8259 -31.8259 -31.8259 -31.8259 -13.2939 -13.2939 -13.2557 -13.2557 -13.2439 -13.2439 -12.9979 -12.9979 -12.8718 -12.8718 -12.7568 -12.7568 -12.7430 -12.7430 -12.5250 -12.5250 -12.4940 -12.4940 -2.9082 -2.9082 3.6912 3.6912 3.6955 3.6955 4.9030 4.9030 5.0976 5.0976 5.2005 5.2005 5.2160 5.2160 6.0244 6.0244 6.0779 6.0779 6.3080 6.3080 8.5573 8.5573 8.9620 8.9620 9.2756 9.2756 11.8119 11.8119 11.8222 11.8222 11.9052 11.9052 k = 0.5000 0.5000 0.3485 ( 3992 PWs) bands (ev): -31.8260 -31.8260 -31.8259 -31.8259 -31.8259 -31.8259 -13.2989 -13.2989 -13.2564 -13.2564 -13.2466 -13.2466 -13.0005 -13.0005 -12.8712 -12.8712 -12.7536 -12.7536 -12.7423 -12.7423 -12.5196 -12.5196 -12.4937 -12.4937 -2.8944 -2.8944 3.6882 3.6882 3.6918 3.6918 4.8903 4.8903 5.1063 5.1063 5.1941 5.1941 5.2092 5.2092 6.0310 6.0310 6.0828 6.0828 6.2733 6.2733 8.5753 8.5753 8.9936 8.9936 9.2554 9.2554 11.7917 11.7917 11.8059 11.8059 11.8946 11.8946 k = 0.5000 0.5000 0.3636 ( 3992 PWs) bands (ev): -31.8259 -31.8259 -31.8259 -31.8259 -31.8259 -31.8259 -13.3036 -13.3036 -13.2570 -13.2570 -13.2491 -13.2491 -13.0028 -13.0028 -12.8706 -12.8706 -12.7508 -12.7508 -12.7417 -12.7417 -12.5146 -12.5146 -12.4936 -12.4936 -2.8815 -2.8815 3.6854 3.6854 3.6884 3.6884 4.8784 4.8784 5.1147 5.1147 5.1882 5.1882 5.2027 5.2027 6.0369 6.0369 6.0864 6.0864 6.2421 6.2421 8.5917 8.5917 9.0243 9.0243 9.2377 9.2377 11.7723 11.7723 11.7881 11.7881 11.8815 11.8815 k = 0.5000 0.5000 0.3788 ( 3976 PWs) bands (ev): -31.8259 -31.8259 -31.8259 -31.8259 -31.8259 -31.8259 -13.3079 -13.3079 -13.2576 -13.2576 -13.2513 -13.2513 -13.0048 -13.0048 -12.8700 -12.8700 -12.7482 -12.7482 -12.7410 -12.7410 -12.5100 -12.5100 -12.4934 -12.4934 -2.8695 -2.8695 3.6827 3.6827 3.6852 3.6852 4.8675 4.8675 5.1225 5.1225 5.1831 5.1831 5.1966 5.1966 6.0422 6.0422 6.0885 6.0885 6.2150 6.2150 8.6061 8.6061 9.0535 9.0535 9.2228 9.2228 11.7540 11.7540 11.7696 11.7696 11.8668 11.8668 k = 0.5000 0.5000 0.3939 ( 3968 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8258 -31.8258 -13.3117 -13.3117 -13.2581 -13.2581 -13.2533 -13.2533 -13.0066 -13.0066 -12.8695 -12.8695 -12.7459 -12.7459 -12.7404 -12.7404 -12.5060 -12.5060 -12.4932 -12.4932 -2.8586 -2.8586 3.6803 3.6803 3.6822 3.6822 4.8576 4.8576 5.1296 5.1296 5.1787 5.1787 5.1909 5.1909 6.0467 6.0467 6.0887 6.0887 6.1924 6.1924 8.6185 8.6185 9.0809 9.0809 9.2106 9.2106 11.7371 11.7371 11.7512 11.7512 11.8516 11.8516 k = 0.5000 0.5000 0.4091 ( 3972 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8258 -31.8258 -13.3151 -13.3151 -13.2586 -13.2586 -13.2550 -13.2550 -13.0082 -13.0082 -12.8690 -12.8690 -12.7439 -12.7439 -12.7399 -12.7399 -12.5025 -12.5025 -12.4931 -12.4931 -2.8489 -2.8489 3.6782 3.6782 3.6796 3.6796 4.8488 4.8488 5.1357 5.1357 5.1750 5.1750 5.1857 5.1857 6.0506 6.0506 6.0867 6.0867 6.1748 6.1748 8.6287 8.6287 9.1058 9.1058 9.2010 9.2010 11.7219 11.7219 11.7336 11.7336 11.8368 11.8368 k = 0.5000 0.5000 0.4242 ( 3972 PWs) bands (ev): -31.8259 -31.8259 -31.8258 -31.8258 -31.8258 -31.8258 -13.3181 -13.3181 -13.2590 -13.2590 -13.2565 -13.2565 -13.0095 -13.0095 -12.8686 -12.8686 -12.7422 -12.7422 -12.7394 -12.7394 -12.4995 -12.4995 -12.4930 -12.4930 -2.8405 -2.8405 3.6763 3.6763 3.6773 3.6773 4.8413 4.8413 5.1406 5.1406 5.1724 5.1724 5.1812 5.1812 6.0539 6.0539 6.0825 6.0825 6.1623 6.1623 8.6368 8.6368 9.1279 9.1279 9.1939 9.1939 11.7086 11.7086 11.7175 11.7175 11.8231 11.8231 k = 0.5000 0.5000 0.4394 ( 3972 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3205 -13.3205 -13.2593 -13.2593 -13.2577 -13.2577 -13.0106 -13.0106 -12.8683 -12.8683 -12.7408 -12.7408 -12.7390 -12.7390 -12.4971 -12.4971 -12.4929 -12.4929 -2.8336 -2.8336 3.6747 3.6747 3.6754 3.6754 4.8350 4.8350 5.1443 5.1443 5.1707 5.1707 5.1774 5.1774 6.0566 6.0566 6.0768 6.0768 6.1543 6.1543 8.6430 8.6430 9.1467 9.1467 9.1888 9.1888 11.6973 11.6973 11.7034 11.7034 11.8111 11.8111 k = 0.5000 0.5000 0.4545 ( 3972 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3224 -13.3224 -13.2596 -13.2596 -13.2587 -13.2587 -13.0115 -13.0115 -12.8681 -12.8681 -12.7397 -12.7397 -12.7387 -12.7387 -12.4952 -12.4952 -12.4928 -12.4928 -2.8280 -2.8280 3.6735 3.6735 3.6739 3.6739 4.8301 4.8301 5.1466 5.1466 5.1700 5.1700 5.1743 5.1743 6.0587 6.0587 6.0709 6.0709 6.1495 6.1495 8.6475 8.6475 9.1618 9.1618 9.1854 9.1854 11.6882 11.6882 11.6918 11.6918 11.8013 11.8013 k = 0.5000 0.5000 0.4697 ( 3972 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3238 -13.3238 -13.2598 -13.2598 -13.2594 -13.2594 -13.0121 -13.0121 -12.8679 -12.8679 -12.7389 -12.7389 -12.7385 -12.7385 -12.4938 -12.4938 -12.4927 -12.4927 -2.8241 -2.8241 3.6726 3.6726 3.6728 3.6728 4.8265 4.8265 5.1478 5.1478 5.1699 5.1699 5.1721 5.1721 6.0601 6.0601 6.0658 6.0658 6.1469 6.1469 8.6504 8.6504 9.1728 9.1728 9.1833 9.1833 11.6816 11.6816 11.6832 11.6832 11.7941 11.7941 k = 0.5000 0.5000 0.4848 ( 3964 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3246 -13.3246 -13.2599 -13.2599 -13.2598 -13.2598 -13.0124 -13.0124 -12.8678 -12.8678 -12.7385 -12.7385 -12.7383 -12.7383 -12.4930 -12.4930 -12.4927 -12.4927 -2.8217 -2.8217 3.6721 3.6721 3.6721 3.6721 4.8243 4.8243 5.1484 5.1484 5.1701 5.1701 5.1707 5.1707 6.0610 6.0610 6.0625 6.0625 6.1457 6.1457 8.6521 8.6521 9.1796 9.1796 9.1822 9.1822 11.6775 11.6775 11.6779 11.6779 11.7897 11.7897 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -31.8258 -13.3248 -13.3248 -13.2598 -13.2598 -13.2598 -13.2598 -13.0125 -13.0125 -12.8676 -12.8676 -12.7381 -12.7381 -12.7381 -12.7381 -12.4925 -12.4925 -12.4925 -12.4925 -2.8208 -2.8208 3.6719 3.6719 3.6719 3.6719 4.8236 4.8236 5.1485 5.1485 5.1703 5.1703 5.1703 5.1703 6.0613 6.0613 6.0613 6.0613 6.1453 6.1453 8.6527 8.6527 9.1818 9.1818 9.1818 9.1818 11.6762 11.6762 11.6762 11.6762 11.7883 11.7883 Writing output data file Ca3AuN.save init_run : 0.34s CPU 0.49s WALL ( 1 calls) electrons : 284.58s CPU 288.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 284.58s CPU 288.45s 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 : 0.08s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 256 calls) cegterg : 271.50s CPU 275.01s WALL ( 875 calls) Called by sum_band: Called by *egterg: h_psi : 119.27s CPU 121.24s WALL ( 16472 calls) s_psi : 8.48s CPU 8.62s WALL ( 16472 calls) g_psi : 0.32s CPU 0.35s WALL ( 15341 calls) cdiaghg : 125.68s CPU 127.19s WALL ( 15597 calls) cegterg:over : 9.48s CPU 9.31s WALL ( 15341 calls) cegterg:upda : 9.24s CPU 9.50s WALL ( 15341 calls) cegterg:last : 3.82s CPU 3.83s WALL ( 1735 calls) cdiaghg:chol : 7.31s CPU 7.01s WALL ( 15597 calls) cdiaghg:inve : 4.49s CPU 4.88s WALL ( 15597 calls) cdiaghg:para : 7.63s CPU 7.75s WALL ( 31194 calls) Called by h_psi: h_psi:vloc : 100.64s CPU 102.23s WALL ( 16472 calls) h_psi:vnl : 18.31s CPU 18.69s WALL ( 16472 calls) add_vuspsi : 9.92s CPU 10.11s WALL ( 16472 calls) General routines calbec : 8.32s CPU 8.54s WALL ( 16472 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.15s CPU 94.51s WALL ( 1194424 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 512 calls) Parallel routines fft_scatter : 34.83s CPU 35.46s WALL ( 1194447 calls) PWSCF : 4m58.52s CPU 5m10.15s WALL This run was terminated on: 13:34:36 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=