Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:36:36 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: ./Ti3InN.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 44 12 1340 1324 206 Max 45 45 13 1345 1337 211 Sum 1605 1597 465 48297 47937 7497 bravais-lattice index = 14 lattice parameter (alat) = 7.9180 a.u. unit-cell volume = 496.4078 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.917952 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Ti 12.00 47.86700 Ti( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034130 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034130 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034130 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034130 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034130 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034130 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034130 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034130 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034130 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034130 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034130 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034130 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034130 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034130 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034130 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034130 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034130 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034130 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034130 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034130 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034130 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034130 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034130 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034130 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034130 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034130 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034130 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034130 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034130 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034130 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034130 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034130 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034130 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034130 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034130 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034130 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034130 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034130 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034130 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034130 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034130 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034130 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034130 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034130 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034130 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034130 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034130 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034130 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034130 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034130 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034130 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034130 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034130 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034130 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034130 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034130 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034130 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034130 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034130 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034130 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034130 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034130 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034130 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034130 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034130 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034130 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034130 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0034130 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0034130 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0034130 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0034130 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0034130 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034130 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0034130 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0034130 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0034130 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0034130 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0034130 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034130 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0034130 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0034130 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0034130 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0034130 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0034130 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0034130 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0034130 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034130 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034130 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034130 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034130 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0034130 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034130 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034130 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0034130 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0034130 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034130 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0034130 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0034130 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034130 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034130 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034130 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034130 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034130 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0034130 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034130 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0034130 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0034130 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034130 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0034130 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0034130 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034130 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034130 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0034130 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034130 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0034130 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0034130 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034130 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0034130 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 135) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034130 k( 136) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034130 k( 137) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034130 k( 138) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034130 k( 139) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034130 k( 140) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034130 k( 141) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034130 k( 142) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034130 k( 143) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034130 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034130 k( 145) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034130 k( 146) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034130 k( 147) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034130 k( 148) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034130 k( 149) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034130 k( 150) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034130 k( 151) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034130 k( 152) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034130 k( 153) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034130 k( 154) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034130 k( 155) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034130 k( 156) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034130 k( 157) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034130 k( 158) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034130 k( 159) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034130 k( 160) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034130 k( 161) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034130 k( 162) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034130 k( 163) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034130 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034130 k( 165) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034130 k( 166) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034130 k( 167) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034130 k( 168) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034130 k( 169) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034130 k( 170) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034130 k( 171) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034130 k( 172) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034130 k( 173) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034130 k( 174) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034130 k( 175) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034130 k( 176) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034130 k( 177) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034130 k( 178) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034130 k( 179) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034130 k( 180) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034130 k( 181) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034130 k( 182) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034130 k( 183) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034130 k( 184) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034130 k( 185) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034130 k( 186) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034130 k( 187) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034130 k( 188) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034130 k( 189) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034130 k( 190) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034130 k( 191) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034130 k( 192) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034130 k( 193) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034130 k( 194) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034130 k( 195) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034130 k( 196) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034130 k( 197) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034130 k( 198) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034130 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 201) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034130 k( 202) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034130 k( 203) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034130 k( 204) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034130 k( 205) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034130 k( 206) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034130 k( 207) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034130 k( 208) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034130 k( 209) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034130 k( 210) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034130 k( 211) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034130 k( 212) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034130 k( 213) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034130 k( 214) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034130 k( 215) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034130 k( 216) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0034130 k( 217) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034130 k( 218) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034130 k( 219) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034130 k( 220) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034130 k( 221) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034130 k( 222) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034130 k( 223) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034130 k( 224) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034130 k( 225) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034130 k( 226) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034130 k( 227) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034130 k( 228) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034130 k( 229) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034130 k( 230) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034130 k( 231) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034130 k( 232) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034130 k( 233) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034130 k( 234) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034130 k( 235) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034130 k( 236) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034130 k( 237) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034130 k( 238) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0034130 k( 239) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034130 k( 240) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034130 k( 241) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034130 k( 242) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034130 k( 243) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034130 k( 244) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034130 k( 245) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034130 k( 246) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034130 k( 247) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034130 k( 248) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034130 k( 249) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034130 k( 250) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034130 k( 251) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034130 k( 252) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034130 k( 253) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034130 k( 254) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 255) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 256) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034130 k( 257) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034130 k( 258) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034130 k( 259) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034130 k( 260) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034130 k( 261) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034130 k( 262) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034130 k( 263) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034130 k( 264) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034130 k( 265) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034130 k( 267) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034130 k( 268) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034130 k( 269) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034130 k( 270) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034130 k( 271) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034130 k( 272) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034130 k( 273) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034130 k( 274) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034130 k( 275) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034130 k( 276) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034130 k( 277) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034130 k( 278) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034130 k( 279) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034130 k( 280) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034130 k( 281) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034130 k( 282) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034130 k( 283) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034130 k( 284) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034130 k( 285) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034130 k( 286) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034130 k( 287) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034130 k( 288) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034130 k( 289) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034130 k( 290) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034130 k( 291) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034130 k( 292) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034130 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034130 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034130 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034130 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034130 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034130 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034130 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034130 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034130 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034130 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034130 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034130 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034130 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034130 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034130 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034130 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034130 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034130 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034130 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034130 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034130 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034130 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034130 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034130 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034130 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034130 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034130 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034130 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034130 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034130 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034130 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034130 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034130 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034130 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034130 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034130 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034130 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034130 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034130 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034130 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034130 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034130 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034130 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034130 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034130 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034130 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034130 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034130 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034130 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034130 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034130 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034130 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034130 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034130 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034130 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034130 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034130 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034130 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034130 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034130 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034130 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034130 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034130 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034130 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034130 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034130 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034130 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034130 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034130 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034130 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034130 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034130 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034130 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034130 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034130 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0034130 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0034130 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0034130 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0034130 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0034130 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0034130 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0034130 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0034130 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0034130 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0034130 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0034130 k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034130 k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0034130 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0034130 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0034130 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0034130 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0034130 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034130 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0034130 k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0034130 k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034130 k( 101) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0034130 k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0034130 k( 103) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0034130 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0034130 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034130 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034130 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0034130 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0034130 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034130 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0034130 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0034130 k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034130 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0034130 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0034130 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034130 k( 116) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0034130 k( 117) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0034130 k( 118) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0034130 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0034130 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0034130 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034130 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0034130 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0034130 k( 124) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034130 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034130 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0034130 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034130 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0034130 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034130 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0034130 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0034130 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 135) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034130 k( 136) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034130 k( 137) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034130 k( 138) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034130 k( 139) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034130 k( 140) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034130 k( 141) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034130 k( 142) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034130 k( 143) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034130 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034130 k( 145) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034130 k( 146) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034130 k( 147) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034130 k( 148) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034130 k( 149) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034130 k( 150) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034130 k( 151) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034130 k( 152) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034130 k( 153) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034130 k( 154) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034130 k( 155) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034130 k( 156) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034130 k( 157) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034130 k( 158) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034130 k( 159) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034130 k( 160) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034130 k( 161) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034130 k( 162) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034130 k( 163) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034130 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034130 k( 165) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034130 k( 166) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034130 k( 167) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034130 k( 168) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034130 k( 169) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034130 k( 170) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034130 k( 171) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034130 k( 172) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034130 k( 173) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034130 k( 174) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034130 k( 175) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034130 k( 176) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034130 k( 177) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034130 k( 178) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034130 k( 179) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034130 k( 180) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034130 k( 181) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034130 k( 182) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034130 k( 183) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034130 k( 184) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034130 k( 185) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034130 k( 186) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034130 k( 187) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034130 k( 188) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034130 k( 189) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034130 k( 190) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034130 k( 191) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034130 k( 192) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034130 k( 193) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034130 k( 194) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034130 k( 195) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034130 k( 196) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034130 k( 197) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034130 k( 198) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034130 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 201) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034130 k( 202) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034130 k( 203) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034130 k( 204) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034130 k( 205) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034130 k( 206) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034130 k( 207) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034130 k( 208) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034130 k( 209) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034130 k( 210) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034130 k( 211) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034130 k( 212) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034130 k( 213) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034130 k( 214) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034130 k( 215) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034130 k( 216) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0034130 k( 217) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034130 k( 218) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034130 k( 219) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034130 k( 220) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034130 k( 221) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034130 k( 222) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034130 k( 223) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034130 k( 224) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034130 k( 225) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034130 k( 226) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034130 k( 227) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034130 k( 228) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034130 k( 229) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034130 k( 230) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034130 k( 231) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034130 k( 232) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034130 k( 233) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034130 k( 234) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034130 k( 235) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034130 k( 236) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034130 k( 237) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034130 k( 238) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0034130 k( 239) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034130 k( 240) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034130 k( 241) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034130 k( 242) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034130 k( 243) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034130 k( 244) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034130 k( 245) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034130 k( 246) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034130 k( 247) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034130 k( 248) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034130 k( 249) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034130 k( 250) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034130 k( 251) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034130 k( 252) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034130 k( 253) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034130 k( 254) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 255) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 256) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034130 k( 257) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034130 k( 258) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034130 k( 259) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034130 k( 260) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034130 k( 261) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034130 k( 262) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034130 k( 263) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034130 k( 264) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034130 k( 265) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034130 k( 267) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034130 k( 268) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034130 k( 269) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034130 k( 270) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034130 k( 271) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034130 k( 272) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034130 k( 273) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034130 k( 274) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034130 k( 275) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034130 k( 276) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034130 k( 277) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034130 k( 278) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034130 k( 279) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034130 k( 280) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034130 k( 281) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034130 k( 282) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034130 k( 283) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034130 k( 284) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034130 k( 285) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034130 k( 286) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034130 k( 287) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034130 k( 288) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034130 k( 289) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034130 k( 290) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034130 k( 291) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034130 k( 292) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034130 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 Dense grid: 48297 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 47937 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 352, 64) NL pseudopotentials 0.40 Mb ( 176, 150) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1345) G-vector shells 0.00 Mb ( 315) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.38 Mb ( 352, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.29 Mb ( 150, 2, 64) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ti3InN.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 38 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 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 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 14.3 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.4 secs Computing kpt #: 14 total cpu time spent up to now is 17.5 secs Computing kpt #: 15 total cpu time spent up to now is 18.5 secs Computing kpt #: 16 total cpu time spent up to now is 19.6 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 total cpu time spent up to now is 21.7 secs Computing kpt #: 19 total cpu time spent up to now is 22.8 secs Computing kpt #: 20 total cpu time spent up to now is 23.9 secs Computing kpt #: 21 total cpu time spent up to now is 25.0 secs Computing kpt #: 22 total cpu time spent up to now is 26.2 secs Computing kpt #: 23 total cpu time spent up to now is 27.3 secs Computing kpt #: 24 total cpu time spent up to now is 28.5 secs Computing kpt #: 25 total cpu time spent up to now is 29.7 secs Computing kpt #: 26 total cpu time spent up to now is 31.0 secs Computing kpt #: 27 total cpu time spent up to now is 32.3 secs Computing kpt #: 28 total cpu time spent up to now is 33.6 secs Computing kpt #: 29 total cpu time spent up to now is 34.7 secs Computing kpt #: 30 total cpu time spent up to now is 36.0 secs Computing kpt #: 31 total cpu time spent up to now is 37.3 secs Computing kpt #: 32 total cpu time spent up to now is 38.5 secs Computing kpt #: 33 total cpu time spent up to now is 39.6 secs Computing kpt #: 34 total cpu time spent up to now is 40.6 secs Computing kpt #: 35 total cpu time spent up to now is 41.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 43.8 secs Computing kpt #: 38 total cpu time spent up to now is 44.8 secs Computing kpt #: 39 total cpu time spent up to now is 45.9 secs Computing kpt #: 40 total cpu time spent up to now is 47.0 secs Computing kpt #: 41 total cpu time spent up to now is 48.0 secs Computing kpt #: 42 total cpu time spent up to now is 49.0 secs Computing kpt #: 43 total cpu time spent up to now is 50.1 secs Computing kpt #: 44 total cpu time spent up to now is 51.1 secs Computing kpt #: 45 total cpu time spent up to now is 52.1 secs Computing kpt #: 46 total cpu time spent up to now is 53.1 secs Computing kpt #: 47 total cpu time spent up to now is 54.1 secs Computing kpt #: 48 total cpu time spent up to now is 55.1 secs Computing kpt #: 49 total cpu time spent up to now is 56.1 secs Computing kpt #: 50 total cpu time spent up to now is 57.1 secs Computing kpt #: 51 total cpu time spent up to now is 58.1 secs Computing kpt #: 52 total cpu time spent up to now is 59.2 secs Computing kpt #: 53 total cpu time spent up to now is 60.2 secs Computing kpt #: 54 total cpu time spent up to now is 61.2 secs Computing kpt #: 55 total cpu time spent up to now is 62.4 secs Computing kpt #: 56 total cpu time spent up to now is 63.4 secs Computing kpt #: 57 total cpu time spent up to now is 64.4 secs Computing kpt #: 58 total cpu time spent up to now is 65.5 secs Computing kpt #: 59 total cpu time spent up to now is 66.5 secs Computing kpt #: 60 total cpu time spent up to now is 67.6 secs Computing kpt #: 61 total cpu time spent up to now is 68.8 secs Computing kpt #: 62 total cpu time spent up to now is 70.1 secs Computing kpt #: 63 total cpu time spent up to now is 71.4 secs Computing kpt #: 64 total cpu time spent up to now is 72.6 secs Computing kpt #: 65 total cpu time spent up to now is 74.0 secs Computing kpt #: 66 total cpu time spent up to now is 75.3 secs Computing kpt #: 67 total cpu time spent up to now is 76.6 secs Computing kpt #: 68 total cpu time spent up to now is 77.9 secs Computing kpt #: 69 total cpu time spent up to now is 79.3 secs Computing kpt #: 70 total cpu time spent up to now is 80.6 secs Computing kpt #: 71 total cpu time spent up to now is 82.0 secs Computing kpt #: 72 total cpu time spent up to now is 83.3 secs Computing kpt #: 73 total cpu time spent up to now is 84.7 secs Computing kpt #: 74 total cpu time spent up to now is 86.1 secs Computing kpt #: 75 total cpu time spent up to now is 87.5 secs Computing kpt #: 76 total cpu time spent up to now is 88.9 secs Computing kpt #: 77 total cpu time spent up to now is 90.3 secs Computing kpt #: 78 total cpu time spent up to now is 91.7 secs Computing kpt #: 79 total cpu time spent up to now is 93.5 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 81 total cpu time spent up to now is 97.2 secs Computing kpt #: 82 total cpu time spent up to now is 98.8 secs Computing kpt #: 83 total cpu time spent up to now is 100.4 secs Computing kpt #: 84 total cpu time spent up to now is 101.8 secs Computing kpt #: 85 total cpu time spent up to now is 103.1 secs Computing kpt #: 86 total cpu time spent up to now is 104.5 secs Computing kpt #: 87 total cpu time spent up to now is 105.7 secs Computing kpt #: 88 total cpu time spent up to now is 107.1 secs Computing kpt #: 89 total cpu time spent up to now is 108.4 secs Computing kpt #: 90 total cpu time spent up to now is 109.8 secs Computing kpt #: 91 total cpu time spent up to now is 111.2 secs Computing kpt #: 92 total cpu time spent up to now is 112.6 secs Computing kpt #: 93 total cpu time spent up to now is 114.0 secs Computing kpt #: 94 total cpu time spent up to now is 115.0 secs Computing kpt #: 95 total cpu time spent up to now is 116.4 secs Computing kpt #: 96 total cpu time spent up to now is 117.7 secs Computing kpt #: 97 total cpu time spent up to now is 119.0 secs Computing kpt #: 98 total cpu time spent up to now is 120.3 secs Computing kpt #: 99 total cpu time spent up to now is 121.4 secs Computing kpt #: 100 total cpu time spent up to now is 122.4 secs Computing kpt #: 101 total cpu time spent up to now is 123.8 secs Computing kpt #: 102 total cpu time spent up to now is 125.1 secs Computing kpt #: 103 total cpu time spent up to now is 126.5 secs Computing kpt #: 104 total cpu time spent up to now is 127.8 secs Computing kpt #: 105 total cpu time spent up to now is 129.0 secs Computing kpt #: 106 total cpu time spent up to now is 130.2 secs Computing kpt #: 107 total cpu time spent up to now is 131.1 secs Computing kpt #: 108 total cpu time spent up to now is 132.2 secs Computing kpt #: 109 total cpu time spent up to now is 133.1 secs Computing kpt #: 110 total cpu time spent up to now is 134.2 secs Computing kpt #: 111 total cpu time spent up to now is 135.2 secs Computing kpt #: 112 total cpu time spent up to now is 136.1 secs Computing kpt #: 113 total cpu time spent up to now is 137.0 secs Computing kpt #: 114 total cpu time spent up to now is 138.0 secs Computing kpt #: 115 total cpu time spent up to now is 138.9 secs Computing kpt #: 116 total cpu time spent up to now is 139.9 secs Computing kpt #: 117 total cpu time spent up to now is 140.8 secs Computing kpt #: 118 total cpu time spent up to now is 141.8 secs Computing kpt #: 119 total cpu time spent up to now is 142.8 secs Computing kpt #: 120 total cpu time spent up to now is 143.7 secs Computing kpt #: 121 total cpu time spent up to now is 144.7 secs Computing kpt #: 122 total cpu time spent up to now is 145.6 secs Computing kpt #: 123 total cpu time spent up to now is 146.6 secs Computing kpt #: 124 total cpu time spent up to now is 147.6 secs Computing kpt #: 125 total cpu time spent up to now is 148.6 secs Computing kpt #: 126 total cpu time spent up to now is 149.6 secs Computing kpt #: 127 total cpu time spent up to now is 150.6 secs Computing kpt #: 128 total cpu time spent up to now is 151.7 secs Computing kpt #: 129 total cpu time spent up to now is 152.7 secs Computing kpt #: 130 total cpu time spent up to now is 153.7 secs Computing kpt #: 131 total cpu time spent up to now is 154.8 secs Computing kpt #: 132 total cpu time spent up to now is 155.9 secs Computing kpt #: 133 total cpu time spent up to now is 156.9 secs Computing kpt #: 134 total cpu time spent up to now is 157.8 secs Computing kpt #: 135 total cpu time spent up to now is 158.9 secs Computing kpt #: 136 total cpu time spent up to now is 160.0 secs Computing kpt #: 137 total cpu time spent up to now is 161.1 secs Computing kpt #: 138 total cpu time spent up to now is 162.1 secs Computing kpt #: 139 total cpu time spent up to now is 163.1 secs Computing kpt #: 140 total cpu time spent up to now is 164.1 secs Computing kpt #: 141 total cpu time spent up to now is 165.1 secs Computing kpt #: 142 total cpu time spent up to now is 166.1 secs Computing kpt #: 143 total cpu time spent up to now is 167.1 secs Computing kpt #: 144 total cpu time spent up to now is 168.1 secs Computing kpt #: 145 total cpu time spent up to now is 169.1 secs Computing kpt #: 146 total cpu time spent up to now is 170.0 secs Computing kpt #: 147 total cpu time spent up to now is 171.0 secs Computing kpt #: 148 total cpu time spent up to now is 172.0 secs Computing kpt #: 149 total cpu time spent up to now is 173.0 secs Computing kpt #: 150 total cpu time spent up to now is 174.0 secs Computing kpt #: 151 total cpu time spent up to now is 175.0 secs Computing kpt #: 152 total cpu time spent up to now is 176.0 secs Computing kpt #: 153 total cpu time spent up to now is 176.9 secs Computing kpt #: 154 total cpu time spent up to now is 177.9 secs Computing kpt #: 155 total cpu time spent up to now is 178.9 secs Computing kpt #: 156 total cpu time spent up to now is 179.9 secs Computing kpt #: 157 total cpu time spent up to now is 181.0 secs Computing kpt #: 158 total cpu time spent up to now is 181.9 secs Computing kpt #: 159 total cpu time spent up to now is 182.9 secs Computing kpt #: 160 total cpu time spent up to now is 183.9 secs Computing kpt #: 161 total cpu time spent up to now is 184.8 secs Computing kpt #: 162 total cpu time spent up to now is 186.0 secs Computing kpt #: 163 total cpu time spent up to now is 187.2 secs Computing kpt #: 164 total cpu time spent up to now is 188.6 secs Computing kpt #: 165 total cpu time spent up to now is 189.8 secs Computing kpt #: 166 total cpu time spent up to now is 191.1 secs Computing kpt #: 167 total cpu time spent up to now is 192.4 secs Computing kpt #: 168 total cpu time spent up to now is 193.4 secs Computing kpt #: 169 total cpu time spent up to now is 194.7 secs Computing kpt #: 170 total cpu time spent up to now is 196.0 secs Computing kpt #: 171 total cpu time spent up to now is 197.4 secs Computing kpt #: 172 total cpu time spent up to now is 198.7 secs Computing kpt #: 173 total cpu time spent up to now is 200.0 secs Computing kpt #: 174 total cpu time spent up to now is 201.0 secs Computing kpt #: 175 total cpu time spent up to now is 202.4 secs Computing kpt #: 176 total cpu time spent up to now is 203.8 secs Computing kpt #: 177 total cpu time spent up to now is 205.2 secs Computing kpt #: 178 total cpu time spent up to now is 206.6 secs Computing kpt #: 179 total cpu time spent up to now is 208.0 secs Computing kpt #: 180 total cpu time spent up to now is 209.5 secs Computing kpt #: 181 total cpu time spent up to now is 211.0 secs Computing kpt #: 182 total cpu time spent up to now is 212.5 secs Computing kpt #: 183 total cpu time spent up to now is 214.0 secs Computing kpt #: 184 total cpu time spent up to now is 215.5 secs Computing kpt #: 185 total cpu time spent up to now is 216.9 secs Computing kpt #: 186 total cpu time spent up to now is 218.4 secs Computing kpt #: 187 total cpu time spent up to now is 219.7 secs Computing kpt #: 188 total cpu time spent up to now is 221.2 secs Computing kpt #: 189 total cpu time spent up to now is 222.7 secs Computing kpt #: 190 total cpu time spent up to now is 224.1 secs Computing kpt #: 191 total cpu time spent up to now is 225.6 secs Computing kpt #: 192 total cpu time spent up to now is 227.1 secs Computing kpt #: 193 total cpu time spent up to now is 228.2 secs Computing kpt #: 194 total cpu time spent up to now is 229.6 secs Computing kpt #: 195 total cpu time spent up to now is 230.7 secs Computing kpt #: 196 total cpu time spent up to now is 231.8 secs Computing kpt #: 197 total cpu time spent up to now is 232.9 secs Computing kpt #: 198 total cpu time spent up to now is 233.9 secs Computing kpt #: 199 total cpu time spent up to now is 235.1 secs Computing kpt #: 200 total cpu time spent up to now is 236.1 secs Computing kpt #: 201 total cpu time spent up to now is 237.2 secs Computing kpt #: 202 total cpu time spent up to now is 238.3 secs Computing kpt #: 203 total cpu time spent up to now is 239.4 secs Computing kpt #: 204 total cpu time spent up to now is 240.8 secs Computing kpt #: 205 total cpu time spent up to now is 241.9 secs Computing kpt #: 206 total cpu time spent up to now is 243.3 secs Computing kpt #: 207 total cpu time spent up to now is 244.4 secs Computing kpt #: 208 total cpu time spent up to now is 245.9 secs Computing kpt #: 209 total cpu time spent up to now is 247.3 secs Computing kpt #: 210 total cpu time spent up to now is 248.9 secs Computing kpt #: 211 total cpu time spent up to now is 250.4 secs Computing kpt #: 212 total cpu time spent up to now is 251.8 secs Computing kpt #: 213 total cpu time spent up to now is 253.4 secs Computing kpt #: 214 total cpu time spent up to now is 254.8 secs Computing kpt #: 215 total cpu time spent up to now is 256.3 secs Computing kpt #: 216 total cpu time spent up to now is 257.7 secs Computing kpt #: 217 total cpu time spent up to now is 259.2 secs Computing kpt #: 218 total cpu time spent up to now is 260.6 secs Computing kpt #: 219 total cpu time spent up to now is 262.1 secs Computing kpt #: 220 total cpu time spent up to now is 263.4 secs Computing kpt #: 221 total cpu time spent up to now is 264.9 secs Computing kpt #: 222 total cpu time spent up to now is 266.8 secs Computing kpt #: 223 total cpu time spent up to now is 268.1 secs Computing kpt #: 224 total cpu time spent up to now is 269.5 secs Computing kpt #: 225 total cpu time spent up to now is 270.9 secs Computing kpt #: 226 total cpu time spent up to now is 272.2 secs Computing kpt #: 227 total cpu time spent up to now is 273.6 secs Computing kpt #: 228 total cpu time spent up to now is 274.9 secs Computing kpt #: 229 total cpu time spent up to now is 276.2 secs Computing kpt #: 230 total cpu time spent up to now is 277.5 secs Computing kpt #: 231 total cpu time spent up to now is 278.8 secs Computing kpt #: 232 total cpu time spent up to now is 280.1 secs Computing kpt #: 233 total cpu time spent up to now is 281.4 secs Computing kpt #: 234 total cpu time spent up to now is 282.7 secs Computing kpt #: 235 total cpu time spent up to now is 284.0 secs Computing kpt #: 236 total cpu time spent up to now is 285.3 secs Computing kpt #: 237 total cpu time spent up to now is 286.3 secs Computing kpt #: 238 total cpu time spent up to now is 287.6 secs Computing kpt #: 239 total cpu time spent up to now is 288.8 secs Computing kpt #: 240 total cpu time spent up to now is 289.7 secs Computing kpt #: 241 total cpu time spent up to now is 290.9 secs Computing kpt #: 242 total cpu time spent up to now is 292.0 secs Computing kpt #: 243 total cpu time spent up to now is 293.2 secs Computing kpt #: 244 total cpu time spent up to now is 294.2 secs Computing kpt #: 245 total cpu time spent up to now is 295.2 secs Computing kpt #: 246 total cpu time spent up to now is 296.2 secs Computing kpt #: 247 total cpu time spent up to now is 297.3 secs Computing kpt #: 248 total cpu time spent up to now is 298.3 secs Computing kpt #: 249 total cpu time spent up to now is 299.3 secs Computing kpt #: 250 total cpu time spent up to now is 300.3 secs Computing kpt #: 251 total cpu time spent up to now is 301.3 secs Computing kpt #: 252 total cpu time spent up to now is 302.6 secs Computing kpt #: 253 total cpu time spent up to now is 303.7 secs Computing kpt #: 254 total cpu time spent up to now is 304.9 secs Computing kpt #: 255 total cpu time spent up to now is 306.2 secs Computing kpt #: 256 total cpu time spent up to now is 307.6 secs Computing kpt #: 257 total cpu time spent up to now is 308.9 secs Computing kpt #: 258 total cpu time spent up to now is 310.2 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.7 secs Computing kpt #: 260 total cpu time spent up to now is 314.1 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 262 total cpu time spent up to now is 317.7 secs Computing kpt #: 263 total cpu time spent up to now is 319.1 secs Computing kpt #: 264 total cpu time spent up to now is 320.4 secs Computing kpt #: 265 total cpu time spent up to now is 321.7 secs Computing kpt #: 266 total cpu time spent up to now is 323.1 secs Computing kpt #: 267 total cpu time spent up to now is 325.3 secs Computing kpt #: 268 total cpu time spent up to now is 326.8 secs Computing kpt #: 269 total cpu time spent up to now is 328.2 secs Computing kpt #: 270 total cpu time spent up to now is 329.6 secs Computing kpt #: 271 total cpu time spent up to now is 331.2 secs Computing kpt #: 272 total cpu time spent up to now is 332.8 secs Computing kpt #: 273 total cpu time spent up to now is 334.2 secs Computing kpt #: 274 total cpu time spent up to now is 335.5 secs Computing kpt #: 275 total cpu time spent up to now is 336.9 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.1 secs Computing kpt #: 277 total cpu time spent up to now is 340.6 secs Computing kpt #: 278 total cpu time spent up to now is 342.1 secs Computing kpt #: 279 total cpu time spent up to now is 343.4 secs Computing kpt #: 280 total cpu time spent up to now is 344.7 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.0 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.3 secs Computing kpt #: 283 total cpu time spent up to now is 350.8 secs Computing kpt #: 284 total cpu time spent up to now is 352.3 secs Computing kpt #: 285 total cpu time spent up to now is 353.6 secs Computing kpt #: 286 total cpu time spent up to now is 355.1 secs Computing kpt #: 287 total cpu time spent up to now is 356.5 secs Computing kpt #: 288 total cpu time spent up to now is 357.9 secs Computing kpt #: 289 total cpu time spent up to now is 359.4 secs Computing kpt #: 290 total cpu time spent up to now is 360.4 secs Computing kpt #: 291 total cpu time spent up to now is 361.5 secs Computing kpt #: 292 total cpu time spent up to now is 362.5 secs Computing kpt #: 293 total cpu time spent up to now is 363.6 secs ethr = 1.85E-08, avg # of iterations = 42.0 total cpu time spent up to now is 363.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -42.2399 -42.2399 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0155 -19.0155 -18.7613 -18.7613 -18.4586 -18.4586 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0740 -18.0740 -18.0740 -18.0740 -1.1754 -1.1754 -0.0862 -0.0862 -0.0862 -0.0862 0.7505 0.7505 0.7505 0.7505 0.7618 0.7618 6.8016 6.8016 11.0137 11.0137 11.0137 11.0137 11.0184 11.0184 13.2260 13.2260 13.2260 13.2260 13.3240 13.3240 13.3240 13.3240 13.3312 13.3312 16.1916 16.1916 16.2024 16.2024 16.2024 16.2024 16.2289 16.2289 16.6046 16.6046 k = 0.0000 0.0132-0.0000 ( 6031 PWs) bands (ev): -42.2398 -42.2398 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0154 -19.0154 -18.7614 -18.7614 -18.4585 -18.4585 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0742 -18.0742 -18.0741 -18.0741 -1.1746 -1.1746 -0.0861 -0.0861 -0.0861 -0.0861 0.7506 0.7506 0.7506 0.7506 0.7619 0.7619 6.8028 6.8028 11.0103 11.0103 11.0128 11.0128 11.0169 11.0169 13.2241 13.2241 13.2274 13.2274 13.3239 13.3239 13.3243 13.3243 13.3314 13.3314 16.1386 16.1386 16.1976 16.1976 16.2223 16.2223 16.2490 16.2490 16.5854 16.5854 k = 0.0000 0.0263-0.0000 ( 6031 PWs) bands (ev): -42.2397 -42.2397 -42.1333 -42.1333 -42.1332 -42.1332 -19.0154 -19.0154 -19.0151 -19.0151 -18.7616 -18.7616 -18.4583 -18.4583 -18.3235 -18.3235 -18.3232 -18.3232 -18.2084 -18.2084 -18.0747 -18.0747 -18.0743 -18.0743 -1.1721 -1.1721 -0.0861 -0.0861 -0.0859 -0.0859 0.7506 0.7506 0.7509 0.7509 0.7619 0.7619 6.8064 6.8064 10.9986 10.9986 11.0104 11.0104 11.0140 11.0140 13.2185 13.2185 13.2315 13.2315 13.3236 13.3236 13.3252 13.3252 13.3320 13.3320 16.0794 16.0794 16.1767 16.1767 16.2125 16.2125 16.2816 16.2816 16.5557 16.5557 k = 0.0000 0.0395-0.0000 ( 6031 PWs) bands (ev): -42.2395 -42.2395 -42.1336 -42.1336 -42.1332 -42.1332 -19.0153 -19.0153 -19.0146 -19.0146 -18.7619 -18.7619 -18.4580 -18.4580 -18.3235 -18.3235 -18.3230 -18.3230 -18.2085 -18.2085 -18.0756 -18.0756 -18.0746 -18.0746 -1.1679 -1.1679 -0.0860 -0.0860 -0.0856 -0.0856 0.7508 0.7508 0.7513 0.7513 0.7621 0.7621 6.8124 6.8124 10.9785 10.9785 11.0063 11.0063 11.0099 11.0099 13.2089 13.2089 13.2383 13.2383 13.3230 13.3230 13.3266 13.3266 13.3332 13.3332 16.0209 16.0209 16.1407 16.1407 16.2060 16.2060 16.2745 16.2745 16.5562 16.5562 k = 0.0000 0.0526-0.0000 ( 6015 PWs) bands (ev): -42.2392 -42.2392 -42.1338 -42.1338 -42.1332 -42.1332 -19.0152 -19.0152 -19.0138 -19.0138 -18.7624 -18.7624 -18.4575 -18.4575 -18.3236 -18.3236 -18.3226 -18.3226 -18.2087 -18.2087 -18.0768 -18.0768 -18.0751 -18.0751 -1.1621 -1.1621 -0.0858 -0.0858 -0.0852 -0.0852 0.7510 0.7510 0.7520 0.7520 0.7622 0.7622 6.8209 6.8209 10.9508 10.9508 11.0006 11.0006 11.0043 11.0043 13.1951 13.1951 13.2478 13.2478 13.3222 13.3222 13.3282 13.3282 13.3351 13.3351 15.9640 15.9640 16.0987 16.0987 16.1994 16.1994 16.2273 16.2273 16.5954 16.5954 k = 0.0000 0.0658-0.0000 ( 6011 PWs) bands (ev): -42.2389 -42.2389 -42.1342 -42.1342 -42.1332 -42.1332 -19.0150 -19.0150 -19.0129 -19.0129 -18.7630 -18.7630 -18.4569 -18.4569 -18.3237 -18.3237 -18.3222 -18.3222 -18.2089 -18.2089 -18.0783 -18.0783 -18.0756 -18.0756 -1.1546 -1.1546 -0.0856 -0.0856 -0.0846 -0.0846 0.7513 0.7513 0.7528 0.7528 0.7624 0.7624 6.8316 6.8316 10.9159 10.9159 10.9935 10.9935 10.9973 10.9973 13.1766 13.1766 13.2600 13.2600 13.3209 13.3209 13.3296 13.3296 13.3379 13.3379 15.9091 15.9091 16.0551 16.0551 16.1604 16.1604 16.1918 16.1918 16.6561 16.6561 k = 0.0000 0.0789-0.0000 ( 6011 PWs) bands (ev): -42.2384 -42.2384 -42.1346 -42.1346 -42.1332 -42.1332 -19.0147 -19.0147 -19.0117 -19.0117 -18.7638 -18.7638 -18.4561 -18.4561 -18.3237 -18.3237 -18.3216 -18.3216 -18.2092 -18.2092 -18.0802 -18.0802 -18.0763 -18.0763 -1.1456 -1.1456 -0.0853 -0.0853 -0.0840 -0.0840 0.7516 0.7516 0.7538 0.7538 0.7627 0.7627 6.8447 6.8447 10.8743 10.8743 10.9849 10.9849 10.9890 10.9890 13.1531 13.1531 13.2748 13.2748 13.3192 13.3192 13.3308 13.3308 13.3417 13.3417 15.8561 15.8561 16.0125 16.0125 16.0877 16.0877 16.1828 16.1828 16.7263 16.7263 k = 0.0000 0.0921-0.0000 ( 6007 PWs) bands (ev): -42.2379 -42.2379 -42.1351 -42.1351 -42.1332 -42.1332 -19.0144 -19.0144 -19.0103 -19.0103 -18.7647 -18.7647 -18.4553 -18.4553 -18.3238 -18.3238 -18.3210 -18.3210 -18.2096 -18.2096 -18.0824 -18.0824 -18.0772 -18.0772 -1.1350 -1.1350 -0.0850 -0.0850 -0.0832 -0.0832 0.7520 0.7520 0.7549 0.7549 0.7630 0.7630 6.8600 6.8600 10.8268 10.8268 10.9750 10.9750 10.9794 10.9794 13.1239 13.1239 13.2920 13.2920 13.3169 13.3169 13.3316 13.3316 13.3466 13.3466 15.8044 15.8044 15.9720 15.9720 16.0159 16.0159 16.1725 16.1725 16.8008 16.8008 k = 0.0000 0.1053-0.0000 ( 5991 PWs) bands (ev): -42.2373 -42.2373 -42.1357 -42.1357 -42.1332 -42.1332 -19.0141 -19.0141 -19.0088 -19.0088 -18.7657 -18.7657 -18.4543 -18.4543 -18.3239 -18.3239 -18.3202 -18.3202 -18.2100 -18.2100 -18.0849 -18.0849 -18.0781 -18.0781 -1.1230 -1.1230 -0.0847 -0.0847 -0.0823 -0.0823 0.7525 0.7525 0.7562 0.7562 0.7633 0.7633 6.8775 6.8775 10.7739 10.7739 10.9639 10.9639 10.9686 10.9686 13.0888 13.0888 13.3113 13.3113 13.3139 13.3139 13.3325 13.3325 13.3524 13.3524 15.7532 15.7532 15.9344 15.9344 15.9490 15.9490 16.1607 16.1607 16.8338 16.8338 k = 0.0000 0.1184-0.0000 ( 5991 PWs) bands (ev): -42.2366 -42.2366 -42.1364 -42.1364 -42.1332 -42.1332 -19.0137 -19.0137 -19.0070 -19.0070 -18.7669 -18.7669 -18.4531 -18.4531 -18.3240 -18.3240 -18.3194 -18.3194 -18.2104 -18.2104 -18.0878 -18.0878 -18.0791 -18.0791 -1.1096 -1.1096 -0.0843 -0.0843 -0.0813 -0.0813 0.7530 0.7530 0.7576 0.7576 0.7637 0.7637 6.8971 6.8971 10.7165 10.7165 10.9517 10.9517 10.9567 10.9567 13.0473 13.0473 13.3100 13.3100 13.3270 13.3270 13.3384 13.3384 13.3595 13.3595 15.7017 15.7017 15.8896 15.8896 15.9004 15.9004 16.1476 16.1476 16.8332 16.8332 k = 0.0000 0.1316-0.0000 ( 5999 PWs) bands (ev): -42.2359 -42.2359 -42.1371 -42.1371 -42.1331 -42.1331 -19.0133 -19.0133 -19.0050 -19.0050 -18.7682 -18.7682 -18.4519 -18.4519 -18.3240 -18.3240 -18.3185 -18.3185 -18.2109 -18.2109 -18.0909 -18.0909 -18.0803 -18.0803 -1.0948 -1.0948 -0.0839 -0.0839 -0.0803 -0.0803 0.7535 0.7535 0.7592 0.7592 0.7641 0.7641 6.9187 6.9187 10.6553 10.6553 10.9385 10.9385 10.9439 10.9439 12.9989 12.9989 13.3053 13.3053 13.3286 13.3286 13.3576 13.3576 13.3700 13.3700 15.6495 15.6495 15.8397 15.8397 15.8701 15.8701 16.1333 16.1333 16.8325 16.8325 k = 0.0000 0.1447-0.0000 ( 6011 PWs) bands (ev): -42.2351 -42.2351 -42.1379 -42.1379 -42.1331 -42.1331 -19.0129 -19.0129 -19.0029 -19.0029 -18.7697 -18.7697 -18.4505 -18.4505 -18.3240 -18.3240 -18.3174 -18.3174 -18.2115 -18.2115 -18.0943 -18.0943 -18.0815 -18.0815 -1.0788 -1.0788 -0.0835 -0.0835 -0.0792 -0.0792 0.7541 0.7541 0.7609 0.7609 0.7645 0.7645 6.9422 6.9422 10.5909 10.5909 10.9244 10.9244 10.9302 10.9302 12.9436 12.9436 13.2996 13.2996 13.3272 13.3272 13.3706 13.3706 13.3921 13.3921 15.5971 15.5971 15.7994 15.7994 15.8439 15.8439 16.1178 16.1178 16.8316 16.8316 k = 0.0000 0.1579-0.0000 ( 6011 PWs) bands (ev): -42.2342 -42.2342 -42.1388 -42.1388 -42.1331 -42.1331 -19.0124 -19.0124 -19.0005 -19.0005 -18.7714 -18.7714 -18.4490 -18.4490 -18.3240 -18.3240 -18.3163 -18.3163 -18.2121 -18.2121 -18.0980 -18.0980 -18.0829 -18.0829 -1.0617 -1.0617 -0.0831 -0.0831 -0.0779 -0.0779 0.7547 0.7547 0.7627 0.7627 0.7650 0.7650 6.9675 6.9675 10.5242 10.5242 10.9096 10.9096 10.9158 10.9158 12.8812 12.8812 13.2929 13.2929 13.3247 13.3247 13.3799 13.3799 13.4211 13.4211 15.5457 15.5457 15.7681 15.7681 15.8219 15.8219 16.1013 16.1013 16.8304 16.8304 k = 0.0000 0.1711-0.0000 ( 5999 PWs) bands (ev): -42.2332 -42.2332 -42.1398 -42.1398 -42.1331 -42.1331 -19.0119 -19.0119 -18.9980 -18.9980 -18.7732 -18.7732 -18.4474 -18.4474 -18.3240 -18.3240 -18.3150 -18.3150 -18.2128 -18.2128 -18.1020 -18.1020 -18.0843 -18.0843 -1.0434 -1.0434 -0.0826 -0.0826 -0.0767 -0.0767 0.7553 0.7553 0.7646 0.7646 0.7655 0.7655 6.9945 6.9945 10.4560 10.4560 10.8942 10.8942 10.9008 10.9008 12.8118 12.8118 13.2851 13.2851 13.3212 13.3212 13.3892 13.3892 13.4532 13.4532 15.4970 15.4970 15.7447 15.7447 15.8041 15.8041 16.0837 16.0837 16.8289 16.8289 k = 0.0000 0.1842-0.0000 ( 6003 PWs) bands (ev): -42.2322 -42.2322 -42.1408 -42.1408 -42.1331 -42.1331 -19.0114 -19.0114 -18.9952 -18.9952 -18.7751 -18.7751 -18.4457 -18.4457 -18.3238 -18.3238 -18.3137 -18.3137 -18.2136 -18.2136 -18.1063 -18.1063 -18.0857 -18.0857 -1.0242 -1.0242 -0.0821 -0.0821 -0.0753 -0.0753 0.7560 0.7560 0.7661 0.7661 0.7667 0.7667 7.0230 7.0230 10.3870 10.3870 10.8783 10.8783 10.8853 10.8853 12.7356 12.7356 13.2762 13.2762 13.3167 13.3167 13.3988 13.3988 13.4877 13.4877 15.4518 15.4518 15.7282 15.7282 15.7906 15.7906 16.0652 16.0652 16.8269 16.8269 k = 0.0000 0.1974-0.0000 ( 6003 PWs) bands (ev): -42.2311 -42.2311 -42.1418 -42.1418 -42.1331 -42.1331 -19.0109 -19.0109 -18.9924 -18.9924 -18.7772 -18.7772 -18.4439 -18.4439 -18.3237 -18.3237 -18.3123 -18.3123 -18.2144 -18.2144 -18.1107 -18.1107 -18.0873 -18.0873 -1.0042 -1.0042 -0.0815 -0.0815 -0.0739 -0.0739 0.7567 0.7567 0.7666 0.7666 0.7687 0.7687 7.0527 7.0527 10.3179 10.3179 10.8621 10.8621 10.8695 10.8695 12.6529 12.6529 13.2663 13.2663 13.3112 13.3112 13.4088 13.4088 13.5245 13.5245 15.4111 15.4111 15.7177 15.7177 15.7814 15.7814 16.0460 16.0460 16.8245 16.8245 k = 0.0000 0.2105-0.0000 ( 5999 PWs) bands (ev): -42.2300 -42.2300 -42.1430 -42.1430 -42.1331 -42.1331 -19.0104 -19.0104 -18.9893 -18.9893 -18.7795 -18.7795 -18.4420 -18.4420 -18.3234 -18.3234 -18.3108 -18.3108 -18.2153 -18.2153 -18.1154 -18.1154 -18.0889 -18.0889 -0.9835 -0.9835 -0.0810 -0.0810 -0.0725 -0.0725 0.7574 0.7574 0.7672 0.7672 0.7709 0.7709 7.0836 7.0836 10.2495 10.2495 10.8457 10.8457 10.8535 10.8535 12.5643 12.5643 13.2555 13.2555 13.3047 13.3047 13.4192 13.4192 13.5633 13.5633 15.3750 15.3750 15.7126 15.7126 15.7763 15.7763 16.0261 16.0261 16.8214 16.8214 k = 0.0000 0.2237-0.0000 ( 6015 PWs) bands (ev): -42.2288 -42.2288 -42.1442 -42.1442 -42.1331 -42.1331 -19.0098 -19.0098 -18.9861 -18.9861 -18.7819 -18.7819 -18.4400 -18.4400 -18.3230 -18.3230 -18.3092 -18.3092 -18.2163 -18.2163 -18.1204 -18.1204 -18.0905 -18.0905 -0.9621 -0.9621 -0.0804 -0.0804 -0.0711 -0.0711 0.7581 0.7581 0.7678 0.7678 0.7731 0.7731 7.1153 7.1153 10.1825 10.1825 10.8292 10.8292 10.8374 10.8374 12.4703 12.4703 13.2437 13.2437 13.2973 13.2973 13.4300 13.4300 13.6041 13.6041 15.3436 15.3436 15.7123 15.7123 15.7752 15.7752 16.0057 16.0057 16.8174 16.8174 k = 0.0000 0.2368-0.0000 ( 6011 PWs) bands (ev): -42.2275 -42.2275 -42.1454 -42.1454 -42.1331 -42.1331 -19.0092 -19.0092 -18.9828 -18.9828 -18.7844 -18.7844 -18.4380 -18.4380 -18.3225 -18.3225 -18.3075 -18.3075 -18.2173 -18.2173 -18.1255 -18.1255 -18.0921 -18.0921 -0.9403 -0.9403 -0.0799 -0.0799 -0.0696 -0.0696 0.7588 0.7588 0.7684 0.7684 0.7753 0.7753 7.1477 7.1477 10.1176 10.1176 10.8127 10.8127 10.8212 10.8212 12.3716 12.3716 13.2311 13.2311 13.2890 13.2890 13.4410 13.4410 13.6467 13.6467 15.3167 15.3167 15.7165 15.7165 15.7779 15.7779 15.9849 15.9849 16.8123 16.8123 k = 0.0000 0.2500-0.0000 ( 5995 PWs) bands (ev): -42.2262 -42.2262 -42.1467 -42.1467 -42.1331 -42.1331 -19.0087 -19.0087 -18.9793 -18.9793 -18.7871 -18.7871 -18.4360 -18.4360 -18.3219 -18.3219 -18.3058 -18.3058 -18.2184 -18.2184 -18.1308 -18.1308 -18.0938 -18.0938 -0.9182 -0.9182 -0.0793 -0.0793 -0.0681 -0.0681 0.7596 0.7596 0.7690 0.7690 0.7776 0.7776 7.1805 7.1805 10.0555 10.0555 10.7963 10.7963 10.8053 10.8053 12.2688 12.2688 13.2179 13.2179 13.2799 13.2799 13.4523 13.4523 13.6909 13.6909 15.2941 15.2941 15.7246 15.7246 15.7842 15.7842 15.9639 15.9639 16.8059 16.8059 k = 0.0000 0.2632-0.0000 ( 6007 PWs) bands (ev): -42.2249 -42.2249 -42.1480 -42.1480 -42.1330 -42.1330 -19.0081 -19.0081 -18.9756 -18.9756 -18.7900 -18.7900 -18.4339 -18.4339 -18.3211 -18.3211 -18.3039 -18.3039 -18.2195 -18.2195 -18.1362 -18.1362 -18.0955 -18.0955 -0.8959 -0.8959 -0.0787 -0.0787 -0.0667 -0.0667 0.7603 0.7603 0.7697 0.7697 0.7798 0.7798 7.2133 7.2133 9.9969 9.9969 10.7802 10.7802 10.7895 10.7895 12.1627 12.1627 13.2042 13.2042 13.2701 13.2701 13.4638 13.4638 13.7366 13.7366 15.2755 15.2755 15.7364 15.7364 15.7939 15.7939 15.9427 15.9427 16.7976 16.7976 k = 0.0000 0.2763-0.0000 ( 5998 PWs) bands (ev): -42.2235 -42.2235 -42.1494 -42.1494 -42.1330 -42.1330 -19.0075 -19.0075 -18.9719 -18.9719 -18.7930 -18.7930 -18.4318 -18.4318 -18.3202 -18.3202 -18.3020 -18.3020 -18.2208 -18.2208 -18.1418 -18.1418 -18.0972 -18.0972 -0.8736 -0.8736 -0.0782 -0.0782 -0.0652 -0.0652 0.7610 0.7610 0.7703 0.7703 0.7821 0.7821 7.2458 7.2458 9.9425 9.9425 10.7644 10.7644 10.7740 10.7740 12.0539 12.0539 13.1900 13.1900 13.2598 13.2598 13.4753 13.4753 13.7836 13.7836 15.2604 15.2604 15.7514 15.7514 15.8067 15.8067 15.9216 15.9216 16.7870 16.7870 k = 0.0000 0.2895-0.0000 ( 5998 PWs) bands (ev): -42.2221 -42.2221 -42.1508 -42.1508 -42.1330 -42.1330 -19.0070 -19.0070 -18.9681 -18.9681 -18.7961 -18.7961 -18.4297 -18.4297 -18.3191 -18.3191 -18.3001 -18.3001 -18.2221 -18.2221 -18.1475 -18.1475 -18.0988 -18.0988 -0.8514 -0.8514 -0.0776 -0.0776 -0.0638 -0.0638 0.7617 0.7617 0.7709 0.7709 0.7843 0.7843 7.2778 7.2778 9.8930 9.8930 10.7490 10.7490 10.7590 10.7590 11.9432 11.9432 13.1757 13.1757 13.2491 13.2491 13.4869 13.4869 13.8316 13.8316 15.2485 15.2485 15.7692 15.7692 15.8220 15.8220 15.9008 15.9008 16.7735 16.7735 k = 0.0000 0.3026-0.0000 ( 5998 PWs) bands (ev): -42.2207 -42.2207 -42.1522 -42.1522 -42.1330 -42.1330 -19.0064 -19.0064 -18.9641 -18.9641 -18.7993 -18.7993 -18.4276 -18.4276 -18.3178 -18.3178 -18.2980 -18.2980 -18.2235 -18.2235 -18.1533 -18.1533 -18.1004 -18.1004 -0.8295 -0.8295 -0.0771 -0.0771 -0.0624 -0.0624 0.7623 0.7623 0.7715 0.7715 0.7865 0.7865 7.3088 7.3088 9.8489 9.8489 10.7342 10.7342 10.7445 10.7445 11.8312 11.8312 13.1613 13.1613 13.2382 13.2382 13.4983 13.4983 13.8804 13.8804 15.2393 15.2393 15.7895 15.7895 15.8393 15.8393 15.8809 15.8809 16.7563 16.7563 k = 0.0000 0.3158-0.0000 ( 5990 PWs) bands (ev): -42.2192 -42.2192 -42.1536 -42.1536 -42.1330 -42.1330 -19.0059 -19.0059 -18.9601 -18.9601 -18.8027 -18.8027 -18.4256 -18.4256 -18.3163 -18.3163 -18.2959 -18.2959 -18.2249 -18.2249 -18.1591 -18.1591 -18.1020 -18.1020 -0.8081 -0.8081 -0.0766 -0.0766 -0.0610 -0.0610 0.7630 0.7630 0.7722 0.7722 0.7886 0.7886 7.3386 7.3386 9.8108 9.8108 10.7199 10.7199 10.7305 10.7305 11.7186 11.7186 13.1470 13.1470 13.2271 13.2271 13.5097 13.5097 13.9298 13.9298 15.2325 15.2325 15.8119 15.8119 15.8513 15.8513 15.8688 15.8688 16.7350 16.7350 k = 0.0000 0.3289-0.0000 ( 5998 PWs) bands (ev): -42.2177 -42.2177 -42.1551 -42.1551 -42.1330 -42.1330 -19.0054 -19.0054 -18.9561 -18.9561 -18.8061 -18.8061 -18.4237 -18.4237 -18.3146 -18.3146 -18.2938 -18.2938 -18.2264 -18.2264 -18.1651 -18.1651 -18.1036 -18.1036 -0.7872 -0.7872 -0.0761 -0.0761 -0.0597 -0.0597 0.7636 0.7636 0.7727 0.7727 0.7906 0.7906 7.3668 7.3668 9.7792 9.7792 10.7064 10.7064 10.7172 10.7172 11.6060 11.6060 13.1330 13.1330 13.2160 13.2160 13.5208 13.5208 13.9793 13.9793 15.2277 15.2277 15.8360 15.8360 15.8372 15.8372 15.8852 15.8852 16.7091 16.7091 k = 0.0000 0.3421-0.0000 ( 5998 PWs) bands (ev): -42.2163 -42.2163 -42.1566 -42.1566 -42.1330 -42.1330 -19.0049 -19.0049 -18.9520 -18.9520 -18.8096 -18.8096 -18.4218 -18.4218 -18.3127 -18.3127 -18.2916 -18.2916 -18.2280 -18.2280 -18.1710 -18.1710 -18.1050 -18.1050 -0.7672 -0.7672 -0.0756 -0.0756 -0.0584 -0.0584 0.7642 0.7642 0.7733 0.7733 0.7926 0.7926 7.3931 7.3931 9.7546 9.7546 10.6935 10.6935 10.7046 10.7046 11.4941 11.4941 13.1194 13.1194 13.2052 13.2052 13.5316 13.5316 14.0286 14.0286 15.2246 15.2246 15.8189 15.8189 15.8614 15.8614 15.9079 15.9079 16.6787 16.6787 k = 0.0000 0.3553-0.0000 ( 5990 PWs) bands (ev): -42.2148 -42.2148 -42.1580 -42.1580 -42.1330 -42.1330 -19.0045 -19.0045 -18.9479 -18.9479 -18.8131 -18.8131 -18.4200 -18.4200 -18.3106 -18.3106 -18.2894 -18.2894 -18.2296 -18.2296 -18.1769 -18.1769 -18.1064 -18.1064 -0.7480 -0.7480 -0.0751 -0.0751 -0.0572 -0.0572 0.7647 0.7647 0.7739 0.7739 0.7944 0.7944 7.4173 7.4173 9.7372 9.7372 10.6815 10.6815 10.6928 10.6928 11.3834 11.3834 13.1064 13.1064 13.1946 13.1946 13.5419 13.5419 14.0774 14.0774 15.2228 15.2228 15.8009 15.8009 15.8876 15.8876 15.9322 15.9322 16.6446 16.6446 k = 0.0000 0.3684-0.0000 ( 5990 PWs) bands (ev): -42.2133 -42.2133 -42.1595 -42.1595 -42.1330 -42.1330 -19.0040 -19.0040 -18.9439 -18.9439 -18.8167 -18.8167 -18.4184 -18.4184 -18.3082 -18.3082 -18.2872 -18.2872 -18.2313 -18.2313 -18.1827 -18.1827 -18.1077 -18.1077 -0.7299 -0.7299 -0.0747 -0.0747 -0.0561 -0.0561 0.7652 0.7652 0.7744 0.7744 0.7962 0.7962 7.4391 7.4391 9.7273 9.7273 10.6703 10.6703 10.6818 10.6818 11.2747 11.2747 13.0940 13.0940 13.1845 13.1845 13.5518 13.5518 14.1252 14.1252 15.2221 15.2221 15.7839 15.7839 15.9143 15.9143 15.9571 15.9571 16.6076 16.6076 k = 0.0000 0.3816-0.0000 ( 5990 PWs) bands (ev): -42.2119 -42.2119 -42.1609 -42.1609 -42.1329 -42.1329 -19.0036 -19.0036 -18.9399 -18.9399 -18.8202 -18.8202 -18.4169 -18.4169 -18.3057 -18.3057 -18.2850 -18.2850 -18.2331 -18.2331 -18.1885 -18.1885 -18.1089 -18.1089 -0.7131 -0.7131 -0.0743 -0.0743 -0.0551 -0.0551 0.7657 0.7657 0.7749 0.7749 0.7978 0.7978 7.4584 7.4584 9.7248 9.7248 10.6601 10.6601 10.6718 10.6718 11.1686 11.1686 13.0825 13.0825 13.1750 13.1750 13.5611 13.5611 14.1714 14.1714 15.2223 15.2223 15.7679 15.7679 15.9410 15.9410 15.9823 15.9823 16.5690 16.5690 k = 0.0000 0.3947-0.0000 ( 5986 PWs) bands (ev): -42.2106 -42.2106 -42.1622 -42.1622 -42.1329 -42.1329 -19.0032 -19.0032 -18.9360 -18.9360 -18.8237 -18.8237 -18.4155 -18.4155 -18.3031 -18.3031 -18.2827 -18.2827 -18.2348 -18.2348 -18.1941 -18.1941 -18.1101 -18.1101 -0.6976 -0.6976 -0.0739 -0.0739 -0.0542 -0.0542 0.7661 0.7661 0.7753 0.7753 0.7993 0.7993 7.4752 7.4752 9.7295 9.7295 10.6508 10.6508 10.6626 10.6626 11.0659 11.0659 13.0718 13.0718 13.1661 13.1661 13.5696 13.5696 14.2155 14.2155 15.2230 15.2230 15.7532 15.7532 15.9671 15.9671 16.0071 16.0071 16.5301 16.5301 k = 0.0000 0.4079-0.0000 ( 5994 PWs) bands (ev): -42.2093 -42.2093 -42.1635 -42.1635 -42.1329 -42.1329 -19.0029 -19.0029 -18.9322 -18.9322 -18.8270 -18.8270 -18.4143 -18.4143 -18.3004 -18.3004 -18.2806 -18.2806 -18.2366 -18.2366 -18.1995 -18.1995 -18.1110 -18.1110 -0.6836 -0.6836 -0.0736 -0.0736 -0.0533 -0.0533 0.7665 0.7665 0.7757 0.7757 0.8006 0.8006 7.4895 7.4895 9.7409 9.7409 10.6425 10.6425 10.6545 10.6545 10.9675 10.9675 13.0622 13.0622 13.1581 13.1581 13.5774 13.5774 14.2568 14.2568 15.2241 15.2241 15.7399 15.7399 15.9923 15.9923 16.0310 16.0310 16.4921 16.4921 k = 0.0000 0.4211-0.0000 ( 5998 PWs) bands (ev): -42.2081 -42.2081 -42.1647 -42.1647 -42.1329 -42.1329 -19.0026 -19.0026 -18.9287 -18.9287 -18.8302 -18.8302 -18.4132 -18.4132 -18.2976 -18.2976 -18.2785 -18.2785 -18.2383 -18.2383 -18.2046 -18.2046 -18.1119 -18.1119 -0.6712 -0.6712 -0.0733 -0.0733 -0.0526 -0.0526 0.7669 0.7669 0.7760 0.7760 0.8018 0.8018 7.5015 7.5015 9.7582 9.7582 10.6352 10.6352 10.6474 10.6474 10.8745 10.8745 13.0537 13.0537 13.1510 13.1510 13.5844 13.5844 14.2947 14.2947 15.2254 15.2254 15.7281 15.7281 16.0158 16.0158 16.0536 16.0536 16.4563 16.4563 k = 0.0000 0.4342-0.0000 ( 5982 PWs) bands (ev): -42.2070 -42.2070 -42.1658 -42.1658 -42.1329 -42.1329 -19.0024 -19.0024 -18.9255 -18.9255 -18.8332 -18.8332 -18.4123 -18.4123 -18.2948 -18.2948 -18.2765 -18.2765 -18.2399 -18.2399 -18.2093 -18.2093 -18.1127 -18.1127 -0.6605 -0.6605 -0.0731 -0.0731 -0.0519 -0.0519 0.7672 0.7672 0.7764 0.7764 0.8028 0.8028 7.5111 7.5111 9.7802 9.7802 10.6290 10.6290 10.6413 10.6413 10.7883 10.7883 13.0464 13.0464 13.1448 13.1448 13.5904 13.5904 14.3285 14.3285 15.2268 15.2268 15.7179 15.7179 16.0371 16.0371 16.0741 16.0741 16.4238 16.4238 k = 0.0000 0.4474-0.0000 ( 5978 PWs) bands (ev): -42.2060 -42.2060 -42.1667 -42.1667 -42.1329 -42.1329 -19.0022 -19.0022 -18.9227 -18.9227 -18.8358 -18.8358 -18.4116 -18.4116 -18.2923 -18.2923 -18.2748 -18.2748 -18.2414 -18.2414 -18.2135 -18.2135 -18.1133 -18.1133 -0.6516 -0.6516 -0.0729 -0.0729 -0.0514 -0.0514 0.7674 0.7674 0.7766 0.7766 0.8036 0.8036 7.5186 7.5186 9.8052 9.8052 10.6239 10.6239 10.6363 10.6363 10.7108 10.7108 13.0403 13.0403 13.1396 13.1396 13.5954 13.5954 14.3574 14.3574 15.2282 15.2282 15.7094 15.7094 16.0557 16.0557 16.0920 16.0920 16.3955 16.3955 k = 0.0000 0.4605-0.0000 ( 5978 PWs) bands (ev): -42.2053 -42.2053 -42.1675 -42.1675 -42.1329 -42.1329 -19.0020 -19.0020 -18.9203 -18.9203 -18.8380 -18.8380 -18.4110 -18.4110 -18.2900 -18.2900 -18.2732 -18.2732 -18.2428 -18.2428 -18.2170 -18.2170 -18.1138 -18.1138 -0.6446 -0.6446 -0.0727 -0.0727 -0.0510 -0.0510 0.7676 0.7676 0.7768 0.7768 0.8043 0.8043 7.5243 7.5243 9.8305 9.8305 10.6199 10.6199 10.6323 10.6323 10.6446 10.6446 13.0356 13.0356 13.1356 13.1356 13.5993 13.5993 14.3807 14.3807 15.2293 15.2293 15.7028 15.7028 16.0709 16.0709 16.1067 16.1067 16.3725 16.3725 k = 0.0000 0.4737-0.0000 ( 5982 PWs) bands (ev): -42.2047 -42.2047 -42.1681 -42.1681 -42.1329 -42.1329 -19.0019 -19.0019 -18.9185 -18.9185 -18.8396 -18.8396 -18.4106 -18.4106 -18.2882 -18.2882 -18.2720 -18.2720 -18.2438 -18.2438 -18.2197 -18.2197 -18.1142 -18.1142 -0.6396 -0.6396 -0.0726 -0.0726 -0.0507 -0.0507 0.7677 0.7677 0.7769 0.7769 0.8047 0.8047 7.5282 7.5282 9.8531 9.8531 10.5929 10.5929 10.6170 10.6170 10.6295 10.6295 13.0321 13.0321 13.1326 13.1326 13.6022 13.6022 14.3979 14.3979 15.2302 15.2302 15.6979 15.6979 16.0823 16.0823 16.1177 16.1177 16.3554 16.3554 k = 0.0000 0.4868-0.0000 ( 5958 PWs) bands (ev): -42.2043 -42.2043 -42.1684 -42.1684 -42.1329 -42.1329 -19.0018 -19.0018 -18.9174 -18.9174 -18.8407 -18.8407 -18.4104 -18.4104 -18.2870 -18.2870 -18.2713 -18.2713 -18.2445 -18.2445 -18.2214 -18.2214 -18.1144 -18.1144 -0.6365 -0.6365 -0.0725 -0.0725 -0.0505 -0.0505 0.7678 0.7678 0.7771 0.7771 0.8050 0.8050 7.5304 7.5304 9.8689 9.8689 10.5595 10.5595 10.6153 10.6153 10.6278 10.6278 13.0301 13.0301 13.1309 13.1309 13.6039 13.6039 14.4084 14.4084 15.2307 15.2307 15.6951 15.6951 16.0893 16.0893 16.1244 16.1244 16.3449 16.3449 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -42.2042 -42.2042 -42.1685 -42.1685 -42.1329 -42.1329 -19.0018 -19.0018 -18.9170 -18.9170 -18.8410 -18.8410 -18.4103 -18.4103 -18.2866 -18.2866 -18.2710 -18.2710 -18.2448 -18.2448 -18.2220 -18.2220 -18.1144 -18.1144 -0.6355 -0.6355 -0.0725 -0.0725 -0.0504 -0.0504 0.7678 0.7678 0.7771 0.7771 0.8051 0.8051 7.5312 7.5312 9.8747 9.8747 10.5480 10.5480 10.6147 10.6147 10.6273 10.6273 13.0294 13.0294 13.1303 13.1303 13.6045 13.6045 14.4120 14.4120 15.2309 15.2309 15.6941 15.6941 16.0916 16.0916 16.1267 16.1267 16.3413 16.3413 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -42.2042 -42.2042 -42.1685 -42.1685 -42.1329 -42.1329 -19.0018 -19.0018 -18.9170 -18.9170 -18.8410 -18.8410 -18.4103 -18.4103 -18.2866 -18.2866 -18.2710 -18.2710 -18.2448 -18.2448 -18.2220 -18.2220 -18.1144 -18.1144 -0.6355 -0.6355 -0.0725 -0.0725 -0.0504 -0.0504 0.7678 0.7678 0.7771 0.7771 0.8051 0.8051 7.5312 7.5312 9.8747 9.8747 10.5480 10.5480 10.6147 10.6147 10.6273 10.6273 13.0294 13.0294 13.1303 13.1303 13.6045 13.6045 14.4120 14.4120 15.2309 15.2309 15.6941 15.6941 16.0916 16.0916 16.1267 16.1267 16.3413 16.3413 k = 0.0132 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2042 -42.2042 -42.1685 -42.1685 -42.1329 -42.1329 -19.0018 -19.0018 -18.9171 -18.9171 -18.8411 -18.8411 -18.4103 -18.4103 -18.2865 -18.2865 -18.2713 -18.2713 -18.2447 -18.2447 -18.2217 -18.2217 -18.1145 -18.1145 -0.6347 -0.6347 -0.0725 -0.0725 -0.0504 -0.0504 0.7679 0.7679 0.7771 0.7771 0.8051 0.8051 7.5321 7.5321 9.8735 9.8735 10.5306 10.5306 10.6184 10.6184 10.6379 10.6379 13.0286 13.0286 13.1296 13.1296 13.6066 13.6066 14.4123 14.4123 15.2307 15.2307 15.6901 15.6901 16.0941 16.0941 16.1290 16.1290 16.3372 16.3372 k = 0.0263 0.5000-0.0000 ( 5984 PWs) bands (ev): -42.2041 -42.2041 -42.1685 -42.1685 -42.1330 -42.1330 -19.0017 -19.0017 -18.9173 -18.9173 -18.8414 -18.8414 -18.4102 -18.4102 -18.2863 -18.2863 -18.2723 -18.2723 -18.2445 -18.2445 -18.2209 -18.2209 -18.1146 -18.1146 -0.6323 -0.6323 -0.0724 -0.0724 -0.0504 -0.0504 0.7680 0.7680 0.7770 0.7770 0.8052 0.8052 7.5350 7.5350 9.8699 9.8699 10.4955 10.4955 10.6166 10.6166 10.6656 10.6656 13.0263 13.0263 13.1275 13.1275 13.6127 13.6127 14.4133 14.4133 15.2301 15.2301 15.6786 15.6786 16.1010 16.1010 16.1363 16.1363 16.3252 16.3252 k = 0.0395 0.5000-0.0000 ( 5984 PWs) bands (ev): -42.2039 -42.2039 -42.1685 -42.1685 -42.1332 -42.1332 -19.0016 -19.0016 -18.9175 -18.9175 -18.8419 -18.8419 -18.4102 -18.4102 -18.2859 -18.2859 -18.2738 -18.2738 -18.2443 -18.2443 -18.2195 -18.2195 -18.1148 -18.1148 -0.6283 -0.6283 -0.0722 -0.0722 -0.0503 -0.0503 0.7683 0.7683 0.7770 0.7770 0.8053 0.8053 7.5398 7.5398 9.8639 9.8639 10.4538 10.4538 10.6117 10.6117 10.6968 10.6968 13.0222 13.0222 13.1242 13.1242 13.6229 13.6229 14.4151 14.4151 15.2291 15.2291 15.6607 15.6607 16.1107 16.1107 16.1487 16.1487 16.3064 16.3064 k = 0.0526 0.5000-0.0000 ( 5988 PWs) bands (ev): -42.2037 -42.2037 -42.1685 -42.1685 -42.1334 -42.1334 -19.0014 -19.0014 -18.9179 -18.9179 -18.8425 -18.8425 -18.4101 -18.4101 -18.2854 -18.2854 -18.2758 -18.2758 -18.2440 -18.2440 -18.2176 -18.2176 -18.1151 -18.1151 -0.6227 -0.6227 -0.0720 -0.0720 -0.0502 -0.0502 0.7686 0.7686 0.7770 0.7770 0.8055 0.8055 7.5465 7.5465 9.8555 9.8555 10.4079 10.4079 10.6047 10.6047 10.7286 10.7286 13.0161 13.0161 13.1199 13.1199 13.6370 13.6370 14.4178 14.4178 15.2275 15.2275 15.6378 15.6378 16.1223 16.1223 16.1660 16.1660 16.2822 16.2822 k = 0.0658 0.5000-0.0000 ( 5996 PWs) bands (ev): -42.2034 -42.2034 -42.1685 -42.1685 -42.1337 -42.1337 -19.0011 -19.0011 -18.9184 -18.9184 -18.8434 -18.8434 -18.4099 -18.4099 -18.2848 -18.2848 -18.2779 -18.2779 -18.2438 -18.2438 -18.2153 -18.2153 -18.1155 -18.1155 -0.6156 -0.6156 -0.0716 -0.0716 -0.0501 -0.0501 0.7691 0.7691 0.7769 0.7769 0.8057 0.8057 7.5552 7.5552 9.8449 9.8449 10.3582 10.3582 10.5958 10.5958 10.7607 10.7607 13.0075 13.0075 13.1149 13.1149 13.6550 13.6550 14.4213 14.4213 15.2253 15.2253 15.6111 15.6111 16.1355 16.1355 16.1872 16.1872 16.2541 16.2541 k = 0.0789 0.5000-0.0000 ( 5994 PWs) bands (ev): -42.2031 -42.2031 -42.1685 -42.1685 -42.1340 -42.1340 -19.0008 -19.0008 -18.9190 -18.9190 -18.8444 -18.8444 -18.4098 -18.4098 -18.2845 -18.2845 -18.2799 -18.2799 -18.2437 -18.2437 -18.2127 -18.2127 -18.1160 -18.1160 -0.6070 -0.6070 -0.0713 -0.0713 -0.0500 -0.0500 0.7696 0.7696 0.7769 0.7769 0.8060 0.8060 7.5657 7.5657 9.8321 9.8321 10.3049 10.3049 10.5851 10.5851 10.7930 10.7930 12.9962 12.9962 13.1096 13.1096 13.6767 13.6767 14.4259 14.4259 15.2224 15.2224 15.5817 15.5817 16.1503 16.1503 16.2105 16.2105 16.2241 16.2241 k = 0.0921 0.5000-0.0000 ( 5990 PWs) bands (ev): -42.2027 -42.2027 -42.1685 -42.1685 -42.1344 -42.1344 -19.0005 -19.0005 -18.9197 -18.9197 -18.8456 -18.8456 -18.4095 -18.4095 -18.2851 -18.2851 -18.2810 -18.2810 -18.2437 -18.2437 -18.2099 -18.2099 -18.1165 -18.1165 -0.5969 -0.5969 -0.0708 -0.0708 -0.0498 -0.0498 0.7702 0.7702 0.7768 0.7768 0.8063 0.8063 7.5780 7.5780 9.8171 9.8171 10.2481 10.2481 10.5728 10.5728 10.8258 10.8258 12.9816 12.9816 13.1042 13.1042 13.7019 13.7019 14.4316 14.4316 15.2185 15.2185 15.5504 15.5504 16.1670 16.1670 16.1917 16.1917 16.2367 16.2367 k = 0.1053 0.5000-0.0000 ( 5992 PWs) bands (ev): -42.2022 -42.2022 -42.1685 -42.1685 -42.1348 -42.1348 -19.0001 -19.0001 -18.9205 -18.9205 -18.8470 -18.8470 -18.4093 -18.4093 -18.2872 -18.2872 -18.2806 -18.2806 -18.2438 -18.2438 -18.2068 -18.2068 -18.1170 -18.1170 -0.5855 -0.5855 -0.0704 -0.0704 -0.0495 -0.0495 0.7709 0.7709 0.7768 0.7768 0.8067 0.8067 7.5923 7.5923 9.8001 9.8001 10.1879 10.1879 10.5590 10.5590 10.8593 10.8593 12.9635 12.9635 13.0991 13.0991 13.7306 13.7306 14.4387 14.4387 15.2137 15.2137 15.5180 15.5180 16.1603 16.1603 16.1856 16.1856 16.2627 16.2627 k = 0.1184 0.5000-0.0000 ( 6000 PWs) bands (ev): -42.2017 -42.2017 -42.1685 -42.1685 -42.1353 -42.1353 -18.9997 -18.9997 -18.9213 -18.9213 -18.8485 -18.8485 -18.4089 -18.4089 -18.2898 -18.2898 -18.2796 -18.2796 -18.2440 -18.2440 -18.2036 -18.2036 -18.1177 -18.1177 -0.5727 -0.5727 -0.0698 -0.0698 -0.0492 -0.0492 0.7716 0.7716 0.7768 0.7768 0.8071 0.8071 7.6084 7.6084 9.7811 9.7811 10.1245 10.1245 10.5438 10.5438 10.8938 10.8938 12.9417 12.9417 13.0944 13.0944 13.7624 13.7624 14.4471 14.4471 15.2076 15.2076 15.4849 15.4849 16.1296 16.1296 16.2061 16.2061 16.2890 16.2890 k = 0.1316 0.5000-0.0000 ( 5992 PWs) bands (ev): -42.2012 -42.2012 -42.1685 -42.1685 -42.1359 -42.1359 -18.9992 -18.9992 -18.9222 -18.9222 -18.8502 -18.8502 -18.4085 -18.4085 -18.2925 -18.2925 -18.2784 -18.2784 -18.2442 -18.2442 -18.2003 -18.2003 -18.1184 -18.1184 -0.5587 -0.5587 -0.0692 -0.0692 -0.0489 -0.0489 0.7723 0.7723 0.7769 0.7769 0.8076 0.8076 7.6263 7.6263 9.7603 9.7603 10.0582 10.0582 10.5276 10.5276 10.9292 10.9292 12.9163 12.9163 13.0901 13.0901 13.7972 13.7972 14.4570 14.4570 15.2003 15.2003 15.4515 15.4515 16.1005 16.1005 16.2283 16.2283 16.3151 16.3151 k = 0.1447 0.5000-0.0000 ( 5992 PWs) bands (ev): -42.2005 -42.2005 -42.1685 -42.1685 -42.1365 -42.1365 -18.9988 -18.9988 -18.9232 -18.9232 -18.8521 -18.8521 -18.4080 -18.4080 -18.2953 -18.2953 -18.2771 -18.2771 -18.2445 -18.2445 -18.1970 -18.1970 -18.1191 -18.1191 -0.5435 -0.5435 -0.0686 -0.0686 -0.0485 -0.0485 0.7730 0.7730 0.7770 0.7770 0.8082 0.8082 7.6459 7.6459 9.7378 9.7378 9.9892 9.9892 10.5103 10.5103 10.9658 10.9658 12.8873 12.8873 13.0861 13.0861 13.8347 13.8347 14.4684 14.4684 15.1917 15.1917 15.4181 15.4181 16.0735 16.0735 16.2522 16.2522 16.3408 16.3408 k = 0.1579 0.5000-0.0000 ( 5996 PWs) bands (ev): -42.1998 -42.1998 -42.1685 -42.1685 -42.1372 -42.1372 -18.9982 -18.9982 -18.9242 -18.9242 -18.8540 -18.8540 -18.4075 -18.4075 -18.2980 -18.2980 -18.2758 -18.2758 -18.2449 -18.2449 -18.1936 -18.1936 -18.1198 -18.1198 -0.5273 -0.5273 -0.0680 -0.0680 -0.0480 -0.0480 0.7735 0.7735 0.7773 0.7773 0.8088 0.8088 7.6674 7.6674 9.7136 9.7136 9.9179 9.9179 10.4921 10.4921 11.0037 11.0037 12.8550 12.8550 13.0825 13.0825 13.8749 13.8749 14.4815 14.4815 15.1818 15.1818 15.3850 15.3850 16.0489 16.0489 16.2776 16.2776 16.3657 16.3657 k = 0.1711 0.5000-0.0000 ( 5998 PWs) bands (ev): -42.1991 -42.1991 -42.1685 -42.1685 -42.1379 -42.1379 -18.9977 -18.9977 -18.9252 -18.9252 -18.8561 -18.8561 -18.4068 -18.4068 -18.3008 -18.3008 -18.2745 -18.2745 -18.2453 -18.2453 -18.1902 -18.1902 -18.1206 -18.1206 -0.5101 -0.5101 -0.0673 -0.0673 -0.0474 -0.0474 0.7740 0.7740 0.7778 0.7778 0.8095 0.8095 7.6906 7.6906 9.6879 9.6879 9.8446 9.8446 10.4733 10.4733 11.0428 11.0428 12.8195 12.8195 13.0790 13.0790 13.9173 13.9173 14.4960 14.4960 15.1705 15.1705 15.3524 15.3524 16.0269 16.0269 16.3042 16.3042 16.3897 16.3897 k = 0.1842 0.5000-0.0000 ( 5992 PWs) bands (ev): -42.1983 -42.1983 -42.1684 -42.1684 -42.1386 -42.1386 -18.9971 -18.9971 -18.9262 -18.9262 -18.8583 -18.8583 -18.4061 -18.4061 -18.3034 -18.3034 -18.2731 -18.2731 -18.2458 -18.2458 -18.1869 -18.1869 -18.1213 -18.1213 -0.4921 -0.4921 -0.0666 -0.0666 -0.0468 -0.0468 0.7743 0.7743 0.7784 0.7784 0.8102 0.8102 7.7154 7.7154 9.6608 9.6608 9.7698 9.7698 10.4540 10.4540 11.0833 11.0833 12.7811 12.7811 13.0757 13.0757 13.9618 13.9618 14.5122 14.5122 15.1579 15.1579 15.3203 15.3203 16.0077 16.0077 16.3318 16.3318 16.4127 16.4127 k = 0.1974 0.5000-0.0000 ( 6000 PWs) bands (ev): -42.1975 -42.1975 -42.1684 -42.1684 -42.1395 -42.1395 -18.9966 -18.9966 -18.9273 -18.9273 -18.8607 -18.8607 -18.4053 -18.4053 -18.3060 -18.3060 -18.2718 -18.2718 -18.2464 -18.2464 -18.1835 -18.1835 -18.1221 -18.1221 -0.4734 -0.4734 -0.0659 -0.0659 -0.0460 -0.0460 0.7744 0.7744 0.7792 0.7792 0.8110 0.8110 7.7419 7.7419 9.6324 9.6324 9.6937 9.6937 10.4344 10.4344 11.1250 11.1250 12.7402 12.7402 13.0726 13.0726 14.0081 14.0081 14.5298 14.5298 15.1443 15.1443 15.2891 15.2891 15.9913 15.9913 16.3601 16.3601 16.4346 16.4346 k = 0.2105 0.5000-0.0000 ( 6006 PWs) bands (ev): -42.1966 -42.1966 -42.1684 -42.1684 -42.1403 -42.1403 -18.9960 -18.9960 -18.9283 -18.9283 -18.8631 -18.8631 -18.4044 -18.4044 -18.3085 -18.3085 -18.2705 -18.2705 -18.2470 -18.2470 -18.1802 -18.1802 -18.1228 -18.1228 -0.4540 -0.4540 -0.0651 -0.0651 -0.0450 -0.0450 0.7745 0.7745 0.7801 0.7801 0.8119 0.8119 7.7700 7.7700 9.6027 9.6027 9.6169 9.6169 10.4146 10.4146 11.1678 11.1678 12.6971 12.6971 13.0695 13.0695 14.0560 14.0560 14.5489 14.5489 15.1297 15.1297 15.2588 15.2588 15.9776 15.9776 16.3887 16.3887 16.4554 16.4554 k = 0.2237 0.5000-0.0000 ( 6010 PWs) bands (ev): -42.1957 -42.1957 -42.1684 -42.1684 -42.1413 -42.1413 -18.9954 -18.9954 -18.9293 -18.9293 -18.8656 -18.8656 -18.4034 -18.4034 -18.3109 -18.3109 -18.2692 -18.2692 -18.2477 -18.2477 -18.1770 -18.1770 -18.1236 -18.1236 -0.4343 -0.4343 -0.0644 -0.0644 -0.0440 -0.0440 0.7745 0.7745 0.7810 0.7810 0.8129 0.8129 7.7996 7.7996 9.5398 9.5398 9.5720 9.5720 10.3947 10.3947 11.2117 11.2117 12.6521 12.6521 13.0664 13.0664 14.1053 14.1053 14.5692 14.5692 15.1144 15.1144 15.2294 15.2294 15.9664 15.9664 16.4173 16.4173 16.4751 16.4751 k = 0.2368 0.5000-0.0000 ( 6018 PWs) bands (ev): -42.1947 -42.1947 -42.1684 -42.1684 -42.1422 -42.1422 -18.9948 -18.9948 -18.9302 -18.9302 -18.8681 -18.8681 -18.4024 -18.4024 -18.3132 -18.3132 -18.2680 -18.2680 -18.2484 -18.2484 -18.1739 -18.1739 -18.1243 -18.1243 -0.4142 -0.4142 -0.0638 -0.0638 -0.0427 -0.0427 0.7746 0.7746 0.7819 0.7819 0.8139 0.8139 7.8307 7.8307 9.4628 9.4628 9.5402 9.5402 10.3749 10.3749 11.2566 11.2566 12.6056 12.6056 13.0634 13.0634 14.1557 14.1557 14.5907 14.5907 15.0987 15.0987 15.2012 15.2012 15.9576 15.9576 16.4455 16.4455 16.4935 16.4935 k = 0.2500 0.5000-0.0000 ( 6018 PWs) bands (ev): -42.1936 -42.1936 -42.1684 -42.1684 -42.1432 -42.1432 -18.9943 -18.9943 -18.9311 -18.9311 -18.8707 -18.8707 -18.4013 -18.4013 -18.3154 -18.3154 -18.2670 -18.2670 -18.2492 -18.2492 -18.1708 -18.1708 -18.1249 -18.1249 -0.3941 -0.3941 -0.0631 -0.0631 -0.0412 -0.0412 0.7746 0.7746 0.7828 0.7828 0.8149 0.8149 7.8633 7.8633 9.3864 9.3864 9.5075 9.5075 10.3553 10.3553 11.3022 11.3022 12.5581 12.5581 13.0604 13.0604 14.2070 14.2070 14.6132 14.6132 15.0828 15.0828 15.1741 15.1741 15.9509 15.9509 16.4729 16.4729 16.5109 16.5109 k = 0.2632 0.5000-0.0000 ( 6016 PWs) bands (ev): -42.1926 -42.1926 -42.1684 -42.1684 -42.1443 -42.1443 -18.9937 -18.9937 -18.9319 -18.9319 -18.8734 -18.8734 -18.4001 -18.4001 -18.3175 -18.3175 -18.2660 -18.2660 -18.2500 -18.2500 -18.1679 -18.1679 -18.1255 -18.1255 -0.3739 -0.3739 -0.0625 -0.0625 -0.0395 -0.0395 0.7746 0.7746 0.7837 0.7837 0.8160 0.8160 7.8971 7.8971 9.3109 9.3109 9.4738 9.4738 10.3361 10.3361 11.3485 11.3485 12.5099 12.5099 13.0574 13.0574 14.2588 14.2588 14.6365 14.6365 15.0670 15.0670 15.1483 15.1483 15.9462 15.9462 16.4991 16.4991 16.5271 16.5271 k = 0.2763 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1915 -42.1915 -42.1683 -42.1683 -42.1454 -42.1454 -18.9932 -18.9932 -18.9326 -18.9326 -18.8761 -18.8761 -18.3989 -18.3989 -18.3194 -18.3194 -18.2652 -18.2652 -18.2508 -18.2508 -18.1650 -18.1650 -18.1260 -18.1260 -0.3540 -0.3540 -0.0619 -0.0619 -0.0375 -0.0375 0.7746 0.7746 0.7846 0.7846 0.8172 0.8172 7.9323 7.9323 9.2368 9.2368 9.4394 9.4394 10.3174 10.3174 11.3950 11.3950 12.4614 12.4614 13.0545 13.0545 14.3110 14.3110 14.6605 14.6605 15.0516 15.0516 15.1237 15.1237 15.9430 15.9430 16.5233 16.5233 16.5423 16.5423 k = 0.2895 0.5000-0.0000 ( 6018 PWs) bands (ev): -42.1903 -42.1903 -42.1683 -42.1683 -42.1465 -42.1465 -18.9928 -18.9928 -18.9332 -18.9332 -18.8788 -18.8788 -18.3976 -18.3976 -18.3212 -18.3212 -18.2645 -18.2645 -18.2515 -18.2515 -18.1623 -18.1623 -18.1265 -18.1265 -0.3345 -0.3345 -0.0613 -0.0613 -0.0353 -0.0353 0.7747 0.7747 0.7854 0.7854 0.8184 0.8184 7.9686 7.9686 9.1644 9.1644 9.4043 9.4043 10.2991 10.2991 11.4417 11.4417 12.4131 12.4131 13.0516 13.0516 14.3633 14.3633 14.6849 14.6849 15.0368 15.0368 15.1005 15.1005 15.9413 15.9413 16.5447 16.5447 16.5555 16.5555 k = 0.3026 0.5000-0.0000 ( 6022 PWs) bands (ev): -42.1891 -42.1891 -42.1683 -42.1683 -42.1477 -42.1477 -18.9924 -18.9924 -18.9337 -18.9337 -18.8816 -18.8816 -18.3963 -18.3963 -18.3229 -18.3229 -18.2640 -18.2640 -18.2523 -18.2523 -18.1597 -18.1597 -18.1270 -18.1270 -0.3155 -0.3155 -0.0608 -0.0608 -0.0327 -0.0327 0.7748 0.7748 0.7862 0.7862 0.8196 0.8196 8.0060 8.0060 9.0943 9.0943 9.3685 9.3685 10.2816 10.2816 11.4882 11.4882 12.3654 12.3654 13.0487 13.0487 14.4153 14.4153 14.7096 14.7096 15.0228 15.0228 15.0786 15.0786 15.9408 15.9408 16.5386 16.5386 16.5618 16.5618 k = 0.3158 0.5000-0.0000 ( 6018 PWs) bands (ev): -42.1879 -42.1879 -42.1683 -42.1683 -42.1489 -42.1489 -18.9920 -18.9920 -18.9341 -18.9341 -18.8843 -18.8843 -18.3949 -18.3949 -18.3244 -18.3244 -18.2637 -18.2637 -18.2529 -18.2529 -18.1573 -18.1573 -18.1273 -18.1273 -0.2973 -0.2973 -0.0603 -0.0603 -0.0299 -0.0299 0.7749 0.7749 0.7869 0.7869 0.8209 0.8209 8.0444 8.0444 9.0267 9.0267 9.3321 9.3321 10.2648 10.2648 11.5343 11.5343 12.3187 12.3187 13.0459 13.0459 14.4668 14.4668 14.7343 14.7343 15.0098 15.0098 15.0581 15.0581 15.9413 15.9413 16.4929 16.4929 16.5752 16.5752 k = 0.3289 0.5000-0.0000 ( 6018 PWs) bands (ev): -42.1866 -42.1866 -42.1683 -42.1683 -42.1501 -42.1501 -18.9917 -18.9917 -18.9343 -18.9343 -18.8870 -18.8870 -18.3936 -18.3936 -18.3258 -18.3258 -18.2637 -18.2637 -18.2534 -18.2534 -18.1550 -18.1550 -18.1276 -18.1276 -0.2800 -0.2800 -0.0599 -0.0599 -0.0267 -0.0267 0.7750 0.7750 0.7876 0.7876 0.8221 0.8221 8.0836 8.0836 8.9620 8.9620 9.2952 9.2952 10.2488 10.2488 11.5795 11.5795 12.2733 12.2733 13.0431 13.0431 14.5175 14.5175 14.7588 14.7588 14.9981 14.9981 15.0390 15.0390 15.9425 15.9425 16.4434 16.4434 16.5864 16.5864 k = 0.3421 0.5000-0.0000 ( 6016 PWs) bands (ev): -42.1853 -42.1853 -42.1683 -42.1683 -42.1514 -42.1514 -18.9914 -18.9914 -18.9343 -18.9343 -18.8897 -18.8897 -18.3923 -18.3923 -18.3271 -18.3271 -18.2640 -18.2640 -18.2537 -18.2537 -18.1528 -18.1528 -18.1279 -18.1279 -0.2638 -0.2638 -0.0595 -0.0595 -0.0232 -0.0232 0.7751 0.7751 0.7882 0.7882 0.8233 0.8233 8.1236 8.1236 8.9006 8.9006 9.2578 9.2578 10.2338 10.2338 11.6234 11.6234 12.2298 12.2298 13.0405 13.0405 14.5671 14.5671 14.7829 14.7829 14.9877 14.9877 15.0214 15.0214 15.9443 15.9443 16.3923 16.3923 16.5962 16.5962 k = 0.3553 0.5000-0.0000 ( 6012 PWs) bands (ev): -42.1840 -42.1840 -42.1683 -42.1683 -42.1527 -42.1527 -18.9911 -18.9911 -18.9343 -18.9343 -18.8924 -18.8924 -18.3910 -18.3910 -18.3282 -18.3282 -18.2645 -18.2645 -18.2539 -18.2539 -18.1508 -18.1508 -18.1281 -18.1281 -0.2488 -0.2488 -0.0591 -0.0591 -0.0194 -0.0194 0.7753 0.7753 0.7888 0.7888 0.8245 0.8245 8.1641 8.1641 8.8428 8.8428 9.2201 9.2201 10.2197 10.2197 11.6658 11.6658 12.1885 12.1885 13.0380 13.0380 14.6150 14.6150 14.8063 14.8063 14.9788 14.9788 15.0052 15.0052 15.9465 15.9465 16.3404 16.3404 16.6048 16.6048 k = 0.3684 0.5000-0.0000 ( 6016 PWs) bands (ev): -42.1827 -42.1827 -42.1682 -42.1682 -42.1540 -42.1540 -18.9910 -18.9910 -18.9340 -18.9340 -18.8950 -18.8950 -18.3897 -18.3897 -18.3292 -18.3292 -18.2652 -18.2652 -18.2540 -18.2540 -18.1490 -18.1490 -18.1282 -18.1282 -0.2351 -0.2351 -0.0587 -0.0587 -0.0153 -0.0153 0.7755 0.7755 0.7893 0.7893 0.8256 0.8256 8.2049 8.2049 8.7889 8.7889 9.1821 9.1821 10.2066 10.2066 11.7060 11.7060 12.1498 12.1498 13.0356 13.0356 14.6611 14.6611 14.8287 14.8287 14.9713 14.9713 14.9904 14.9904 15.9490 15.9490 16.2886 16.2886 16.6125 16.6125 k = 0.3816 0.5000-0.0000 ( 6012 PWs) bands (ev): -42.1813 -42.1813 -42.1682 -42.1682 -42.1554 -42.1554 -18.9908 -18.9908 -18.9336 -18.9336 -18.8976 -18.8976 -18.3885 -18.3885 -18.3300 -18.3300 -18.2660 -18.2660 -18.2540 -18.2540 -18.1473 -18.1473 -18.1283 -18.1283 -0.2228 -0.2228 -0.0584 -0.0584 -0.0110 -0.0110 0.7756 0.7756 0.7898 0.7898 0.8267 0.8267 8.2459 8.2459 8.7392 8.7392 9.1441 9.1441 10.1946 10.1946 11.7437 11.7437 12.1141 12.1141 13.0333 13.0333 14.7049 14.7049 14.8499 14.8499 14.9654 14.9654 14.9772 14.9772 15.9516 15.9516 16.2378 16.2378 16.6192 16.6192 k = 0.3947 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1799 -42.1799 -42.1682 -42.1682 -42.1568 -42.1568 -18.9907 -18.9907 -18.9331 -18.9331 -18.9001 -18.9001 -18.3874 -18.3874 -18.3307 -18.3307 -18.2670 -18.2670 -18.2539 -18.2539 -18.1458 -18.1458 -18.1283 -18.1283 -0.2120 -0.2120 -0.0582 -0.0582 -0.0066 -0.0066 0.7758 0.7758 0.7902 0.7902 0.8277 0.8277 8.2867 8.2867 8.6940 8.6940 9.1061 9.1061 10.1838 10.1838 11.7782 11.7782 12.0819 12.0819 13.0313 13.0313 14.7459 14.7459 14.8696 14.8696 14.9605 14.9605 14.9658 14.9658 15.9542 15.9542 16.1888 16.1888 16.6251 16.6251 k = 0.4079 0.5000-0.0000 ( 6014 PWs) bands (ev): -42.1785 -42.1785 -42.1682 -42.1682 -42.1582 -42.1582 -18.9907 -18.9907 -18.9325 -18.9325 -18.9025 -18.9025 -18.3864 -18.3864 -18.3313 -18.3313 -18.2679 -18.2679 -18.2538 -18.2538 -18.1445 -18.1445 -18.1283 -18.1283 -0.2026 -0.2026 -0.0579 -0.0579 -0.0023 -0.0023 0.7760 0.7760 0.7905 0.7905 0.8286 0.8286 8.3270 8.3270 8.6535 8.6535 9.0686 9.0686 10.1741 10.1741 11.8090 11.8090 12.0537 12.0537 13.0294 13.0294 14.7836 14.7836 14.8876 14.8876 14.9536 14.9536 14.9595 14.9595 15.9568 15.9568 16.1426 16.1426 16.6302 16.6302 k = 0.4211 0.5000-0.0000 ( 6008 PWs) bands (ev): -42.1771 -42.1771 -42.1682 -42.1682 -42.1596 -42.1596 -18.9906 -18.9906 -18.9317 -18.9317 -18.9047 -18.9047 -18.3855 -18.3855 -18.3317 -18.3317 -18.2688 -18.2688 -18.2537 -18.2537 -18.1434 -18.1434 -18.1283 -18.1283 -0.1946 -0.1946 -0.0577 -0.0577 0.0019 0.0019 0.7761 0.7761 0.7909 0.7909 0.8295 0.8295 8.3663 8.3663 8.6179 8.6179 9.0319 9.0319 10.1656 10.1656 11.8353 11.8353 12.0301 12.0301 13.0278 13.0278 14.8177 14.8177 14.9033 14.9033 14.9450 14.9450 14.9578 14.9578 15.9592 15.9592 16.1000 16.1000 16.6345 16.6345 k = 0.4342 0.5000-0.0000 ( 6008 PWs) bands (ev): -42.1756 -42.1756 -42.1682 -42.1682 -42.1610 -42.1610 -18.9906 -18.9906 -18.9309 -18.9309 -18.9068 -18.9068 -18.3847 -18.3847 -18.3321 -18.3321 -18.2697 -18.2697 -18.2536 -18.2536 -18.1424 -18.1424 -18.1283 -18.1283 -0.1880 -0.1880 -0.0575 -0.0575 0.0058 0.0058 0.7763 0.7763 0.7911 0.7911 0.8302 0.8302 8.4039 8.4039 8.5875 8.5875 8.9966 8.9966 10.1584 10.1584 11.8563 11.8563 12.0118 12.0118 13.0264 13.0264 14.8475 14.8475 14.9167 14.9167 14.9374 14.9374 14.9577 14.9577 15.9613 15.9613 16.0621 16.0621 16.6382 16.6382 k = 0.4474 0.5000-0.0000 ( 6016 PWs) bands (ev): -42.1742 -42.1742 -42.1682 -42.1682 -42.1624 -42.1624 -18.9906 -18.9906 -18.9300 -18.9300 -18.9088 -18.9088 -18.3840 -18.3840 -18.3324 -18.3324 -18.2704 -18.2704 -18.2535 -18.2535 -18.1416 -18.1416 -18.1282 -18.1282 -0.1827 -0.1827 -0.0574 -0.0574 0.0093 0.0093 0.7764 0.7764 0.7913 0.7913 0.8308 0.8308 8.4389 8.4389 8.5624 8.5624 8.9636 8.9636 10.1525 10.1525 11.8712 11.8712 11.9992 11.9992 13.0252 13.0252 14.8727 14.8727 14.9271 14.9271 14.9313 14.9313 14.9589 14.9589 15.9631 15.9631 16.0296 16.0296 16.6411 16.6411 k = 0.4605 0.5000-0.0000 ( 6016 PWs) bands (ev): -42.1727 -42.1727 -42.1682 -42.1682 -42.1639 -42.1639 -18.9906 -18.9906 -18.9291 -18.9291 -18.9104 -18.9104 -18.3835 -18.3835 -18.3326 -18.3326 -18.2710 -18.2710 -18.2534 -18.2534 -18.1410 -18.1410 -18.1282 -18.1282 -0.1787 -0.1787 -0.0573 -0.0573 0.0121 0.0121 0.7765 0.7765 0.7915 0.7915 0.8313 0.8313 8.4697 8.4697 8.5427 8.5427 8.9343 8.9343 10.1479 10.1479 11.8801 11.8801 11.9924 11.9924 13.0243 13.0243 14.8926 14.8926 14.9267 14.9267 14.9346 14.9346 14.9612 14.9612 15.9645 15.9645 16.0034 16.0034 16.6434 16.6434 k = 0.4737 0.5000-0.0000 ( 6020 PWs) bands (ev): -42.1713 -42.1713 -42.1682 -42.1682 -42.1654 -42.1654 -18.9906 -18.9906 -18.9284 -18.9284 -18.9118 -18.9118 -18.3831 -18.3831 -18.3327 -18.3327 -18.2715 -18.2715 -18.2533 -18.2533 -18.1406 -18.1406 -18.1282 -18.1282 -0.1759 -0.1759 -0.0572 -0.0572 0.0142 0.0142 0.7766 0.7766 0.7916 0.7916 0.8316 0.8316 8.4946 8.4946 8.5287 8.5287 8.9105 8.9105 10.1446 10.1446 11.8841 11.8841 11.9899 11.9899 13.0236 13.0236 14.9067 14.9067 14.9239 14.9239 14.9392 14.9392 14.9638 14.9638 15.9654 15.9654 15.9842 15.9842 16.6442 16.6442 k = 0.4868 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1698 -42.1698 -42.1682 -42.1682 -42.1668 -42.1668 -18.9906 -18.9906 -18.9279 -18.9279 -18.9126 -18.9126 -18.3829 -18.3829 -18.3328 -18.3328 -18.2718 -18.2718 -18.2533 -18.2533 -18.1403 -18.1403 -18.1282 -18.1282 -0.1742 -0.1742 -0.0571 -0.0571 0.0155 0.0155 0.7767 0.7767 0.7917 0.7917 0.8318 0.8318 8.5107 8.5107 8.5206 8.5206 8.8947 8.8947 10.1426 10.1426 11.8854 11.8854 11.9896 11.9896 13.0232 13.0232 14.9139 14.9139 14.9236 14.9236 14.9417 14.9417 14.9659 14.9659 15.9654 15.9654 15.9731 15.9731 16.6378 16.6378 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9906 -18.9906 -18.9277 -18.9277 -18.9129 -18.9129 -18.3828 -18.3828 -18.3328 -18.3328 -18.2719 -18.2719 -18.2533 -18.2533 -18.1402 -18.1402 -18.1281 -18.1281 -0.1737 -0.1737 -0.0571 -0.0571 0.0160 0.0160 0.7767 0.7767 0.7917 0.7917 0.8319 0.8319 8.5147 8.5147 8.5195 8.5195 8.8892 8.8892 10.1419 10.1419 11.8856 11.8856 11.9897 11.9897 13.0231 13.0231 14.9154 14.9154 14.9244 14.9244 14.9425 14.9425 14.9667 14.9667 15.9646 15.9646 15.9701 15.9701 16.6357 16.6357 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9906 -18.9906 -18.9277 -18.9277 -18.9129 -18.9129 -18.3828 -18.3828 -18.3328 -18.3328 -18.2719 -18.2719 -18.2533 -18.2533 -18.1402 -18.1402 -18.1281 -18.1281 -0.1737 -0.1737 -0.0571 -0.0571 0.0160 0.0160 0.7767 0.7767 0.7917 0.7917 0.8319 0.8319 8.5147 8.5147 8.5195 8.5195 8.8892 8.8892 10.1419 10.1419 11.8856 11.8856 11.9897 11.9897 13.0231 13.0231 14.9154 14.9154 14.9244 14.9244 14.9425 14.9425 14.9667 14.9667 15.9646 15.9646 15.9701 15.9701 16.6357 16.6357 k = 0.4907 0.4907-0.0000 ( 6024 PWs) bands (ev): -42.1698 -42.1698 -42.1682 -42.1682 -42.1669 -42.1669 -18.9906 -18.9906 -18.9279 -18.9279 -18.9126 -18.9126 -18.3829 -18.3829 -18.3328 -18.3328 -18.2718 -18.2718 -18.2533 -18.2533 -18.1403 -18.1403 -18.1281 -18.1281 -0.1742 -0.1742 -0.0571 -0.0571 0.0155 0.0155 0.7767 0.7767 0.7917 0.7917 0.8318 0.8318 8.5117 8.5117 8.5196 8.5196 8.8947 8.8947 10.1426 10.1426 11.8854 11.8854 11.9896 11.9896 13.0232 13.0232 14.9141 14.9141 14.9234 14.9234 14.9416 14.9416 14.9660 14.9660 15.9660 15.9660 15.9725 15.9725 16.6378 16.6378 k = 0.4815 0.4815-0.0000 ( 6032 PWs) bands (ev): -42.1713 -42.1713 -42.1681 -42.1681 -42.1654 -42.1654 -18.9906 -18.9906 -18.9284 -18.9284 -18.9118 -18.9118 -18.3831 -18.3831 -18.3327 -18.3327 -18.2715 -18.2715 -18.2533 -18.2533 -18.1406 -18.1406 -18.1282 -18.1282 -0.1759 -0.1759 -0.0572 -0.0572 0.0142 0.0142 0.7766 0.7766 0.7916 0.7916 0.8316 0.8316 8.4991 8.4991 8.5239 8.5239 8.9106 8.9106 10.1445 10.1445 11.8848 11.8848 11.9892 11.9892 13.0236 13.0236 14.9085 14.9085 14.9222 14.9222 14.9384 14.9384 14.9647 14.9647 15.9700 15.9700 15.9795 15.9795 16.6423 16.6423 k = 0.4722 0.4722-0.0000 ( 6008 PWs) bands (ev): -42.1728 -42.1728 -42.1679 -42.1679 -42.1641 -42.1641 -18.9906 -18.9906 -18.9292 -18.9292 -18.9104 -18.9104 -18.3835 -18.3835 -18.3326 -18.3326 -18.2711 -18.2711 -18.2533 -18.2533 -18.1411 -18.1411 -18.1281 -18.1281 -0.1787 -0.1787 -0.0573 -0.0573 0.0121 0.0121 0.7765 0.7765 0.7915 0.7915 0.8313 0.8313 8.4793 8.4793 8.5320 8.5320 8.9352 8.9352 10.1478 10.1478 11.8835 11.8835 11.9892 11.9892 13.0243 13.0243 14.8973 14.8973 14.9221 14.9221 14.9308 14.9308 14.9648 14.9648 15.9768 15.9768 15.9910 15.9910 16.6415 16.6415 k = 0.4630 0.4630-0.0000 ( 6004 PWs) bands (ev): -42.1744 -42.1744 -42.1677 -42.1677 -42.1627 -42.1627 -18.9906 -18.9906 -18.9301 -18.9301 -18.9086 -18.9086 -18.3840 -18.3840 -18.3324 -18.3324 -18.2705 -18.2705 -18.2533 -18.2533 -18.1418 -18.1418 -18.1281 -18.1281 -0.1827 -0.1827 -0.0574 -0.0574 0.0093 0.0093 0.7764 0.7764 0.7913 0.7913 0.8308 0.8308 8.4544 8.4544 8.5434 8.5434 8.9665 8.9665 10.1524 10.1524 11.8811 11.8811 11.9901 11.9901 13.0252 13.0252 14.8812 14.8812 14.9182 14.9182 14.9229 14.9229 14.9672 14.9672 15.9861 15.9861 16.0066 16.0066 16.6387 16.6387 k = 0.4537 0.4537-0.0000 ( 6006 PWs) bands (ev): -42.1760 -42.1760 -42.1675 -42.1675 -42.1614 -42.1614 -18.9906 -18.9906 -18.9312 -18.9312 -18.9066 -18.9066 -18.3847 -18.3847 -18.3322 -18.3322 -18.2700 -18.2700 -18.2531 -18.2531 -18.1428 -18.1428 -18.1278 -18.1278 -0.1880 -0.1880 -0.0575 -0.0575 0.0058 0.0058 0.7763 0.7763 0.7911 0.7911 0.8302 0.8302 8.4261 8.4261 8.5580 8.5580 9.0028 9.0028 10.1583 10.1583 11.8772 11.8772 11.9926 11.9926 13.0264 13.0264 14.8606 14.8606 14.9011 14.9011 14.9242 14.9242 14.9715 14.9715 15.9982 15.9982 16.0258 16.0258 16.6348 16.6348 k = 0.4444 0.4444-0.0000 ( 6000 PWs) bands (ev): -42.1776 -42.1776 -42.1671 -42.1671 -42.1601 -42.1601 -18.9906 -18.9906 -18.9323 -18.9323 -18.9042 -18.9042 -18.3855 -18.3855 -18.3319 -18.3319 -18.2695 -18.2695 -18.2528 -18.2528 -18.1442 -18.1442 -18.1275 -18.1275 -0.1947 -0.1947 -0.0577 -0.0577 0.0019 0.0019 0.7761 0.7761 0.7909 0.7909 0.8294 0.8294 8.3954 8.3954 8.5759 8.5759 9.0430 9.0430 10.1655 10.1655 11.8717 11.8717 11.9973 11.9973 13.0279 13.0279 14.8361 14.8361 14.8800 14.8800 14.9260 14.9260 14.9775 14.9775 16.0128 16.0128 16.0481 16.0481 16.6302 16.6302 k = 0.4352 0.4352-0.0000 ( 6000 PWs) bands (ev): -42.1793 -42.1793 -42.1668 -42.1668 -42.1588 -42.1588 -18.9907 -18.9907 -18.9335 -18.9335 -18.9016 -18.9016 -18.3864 -18.3864 -18.3316 -18.3316 -18.2691 -18.2691 -18.2521 -18.2521 -18.1458 -18.1458 -18.1270 -18.1270 -0.2030 -0.2030 -0.0579 -0.0579 -0.0024 -0.0024 0.7759 0.7759 0.7906 0.7906 0.8286 0.8286 8.3630 8.3630 8.5969 8.5969 9.0863 9.0863 10.1740 10.1740 11.8647 11.8647 12.0045 12.0045 13.0296 13.0296 14.8080 14.8080 14.8554 14.8554 14.9283 14.9283 14.9849 14.9849 16.0299 16.0299 16.0727 16.0727 16.6247 16.6247 k = 0.4259 0.4259-0.0000 ( 6004 PWs) bands (ev): -42.1809 -42.1809 -42.1663 -42.1663 -42.1576 -42.1576 -18.9907 -18.9907 -18.9347 -18.9347 -18.8987 -18.8987 -18.3874 -18.3874 -18.3313 -18.3313 -18.2691 -18.2691 -18.2511 -18.2511 -18.1478 -18.1478 -18.1263 -18.1263 -0.2128 -0.2128 -0.0582 -0.0582 -0.0068 -0.0068 0.7757 0.7757 0.7903 0.7903 0.8276 0.8276 8.3293 8.3293 8.6211 8.6211 9.1320 9.1320 10.1837 10.1837 11.8567 11.8567 12.0142 12.0142 13.0316 13.0316 14.7768 14.7768 14.8276 14.8276 14.9311 14.9311 14.9937 14.9937 16.0496 16.0496 16.0989 16.0989 16.6185 16.6185 k = 0.4167 0.4167-0.0000 ( 6024 PWs) bands (ev): -42.1826 -42.1826 -42.1659 -42.1659 -42.1564 -42.1564 -18.9908 -18.9908 -18.9360 -18.9360 -18.8956 -18.8956 -18.3885 -18.3885 -18.3308 -18.3308 -18.2693 -18.2693 -18.2496 -18.2496 -18.1500 -18.1500 -18.1255 -18.1255 -0.2243 -0.2243 -0.0585 -0.0585 -0.0113 -0.0113 0.7754 0.7754 0.7899 0.7899 0.8265 0.8265 8.2947 8.2947 8.6483 8.6483 9.1797 9.1797 10.1946 10.1946 11.8483 11.8483 12.0264 12.0264 13.0338 13.0338 14.7426 14.7426 14.7969 14.7969 14.9344 14.9344 15.0038 15.0038 16.0716 16.0716 16.1258 16.1258 16.6115 16.6115 k = 0.4074 0.4074-0.0000 ( 6024 PWs) bands (ev): -42.1843 -42.1843 -42.1653 -42.1653 -42.1553 -42.1553 -18.9909 -18.9909 -18.9372 -18.9372 -18.8923 -18.8923 -18.3897 -18.3897 -18.3304 -18.3304 -18.2698 -18.2698 -18.2477 -18.2477 -18.1525 -18.1525 -18.1245 -18.1245 -0.2375 -0.2375 -0.0588 -0.0588 -0.0158 -0.0158 0.7752 0.7752 0.7895 0.7895 0.8252 0.8252 8.2592 8.2592 8.6787 8.6787 9.2290 9.2290 10.2067 10.2067 11.8401 11.8401 12.0410 12.0410 13.0364 13.0364 14.7061 14.7061 14.7637 14.7637 14.9384 14.9384 15.0151 15.0151 16.0961 16.0961 16.1526 16.1526 16.6038 16.6038 k = 0.3981 0.3981-0.0000 ( 6016 PWs) bands (ev): -42.1861 -42.1861 -42.1647 -42.1647 -42.1542 -42.1542 -18.9911 -18.9911 -18.9385 -18.9385 -18.8887 -18.8887 -18.3910 -18.3910 -18.3298 -18.3298 -18.2706 -18.2706 -18.2455 -18.2455 -18.1552 -18.1552 -18.1235 -18.1235 -0.2525 -0.2525 -0.0592 -0.0592 -0.0201 -0.0201 0.7749 0.7749 0.7890 0.7890 0.8239 0.8239 8.2228 8.2228 8.7120 8.7120 9.2797 9.2797 10.2200 10.2200 11.8331 11.8331 12.0577 12.0577 13.0392 13.0392 14.6674 14.6674 14.7282 14.7282 14.9430 14.9430 15.0278 15.0278 16.1228 16.1228 16.1782 16.1782 16.5954 16.5954 k = 0.3889 0.3889-0.0000 ( 6016 PWs) bands (ev): -42.1878 -42.1878 -42.1641 -42.1641 -42.1531 -42.1531 -18.9913 -18.9913 -18.9399 -18.9399 -18.8850 -18.8850 -18.3923 -18.3923 -18.3293 -18.3293 -18.2717 -18.2717 -18.2428 -18.2428 -18.1581 -18.1581 -18.1223 -18.1223 -0.2693 -0.2693 -0.0596 -0.0596 -0.0241 -0.0241 0.7746 0.7746 0.7886 0.7886 0.8225 0.8225 8.1858 8.1858 8.7482 8.7482 9.3316 9.3316 10.2345 10.2345 11.8276 11.8276 12.0764 12.0764 13.0422 13.0422 14.6269 14.6269 14.6907 14.6907 14.9482 14.9482 15.0416 15.0416 16.1518 16.1518 16.2014 16.2014 16.5862 16.5862 k = 0.3796 0.3796-0.0000 ( 6016 PWs) bands (ev): -42.1896 -42.1896 -42.1634 -42.1634 -42.1520 -42.1520 -18.9916 -18.9916 -18.9413 -18.9413 -18.8811 -18.8811 -18.3937 -18.3937 -18.3287 -18.3287 -18.2729 -18.2729 -18.2399 -18.2399 -18.1612 -18.1612 -18.1210 -18.1210 -0.2878 -0.2878 -0.0600 -0.0600 -0.0278 -0.0278 0.7743 0.7743 0.7880 0.7880 0.8210 0.8210 8.1479 8.1479 8.7873 8.7873 9.3843 9.3843 10.2500 10.2500 11.8245 11.8245 12.0970 12.0970 13.0455 13.0455 14.5849 14.5849 14.6515 14.6515 14.9543 14.9543 15.0567 15.0567 16.1828 16.1828 16.2208 16.2208 16.5763 16.5763 k = 0.3704 0.3704-0.0000 ( 6004 PWs) bands (ev): -42.1913 -42.1913 -42.1627 -42.1627 -42.1510 -42.1510 -18.9919 -18.9919 -18.9427 -18.9427 -18.8771 -18.8771 -18.3952 -18.3952 -18.3281 -18.3281 -18.2743 -18.2743 -18.2367 -18.2367 -18.1643 -18.1643 -18.1196 -18.1196 -0.3079 -0.3079 -0.0605 -0.0605 -0.0313 -0.0313 0.7740 0.7740 0.7875 0.7875 0.8194 0.8194 8.1093 8.1093 8.8292 8.8292 9.4376 9.4376 10.2666 10.2666 11.8243 11.8243 12.1195 12.1195 13.0491 13.0491 14.5416 14.5416 14.6107 14.6107 14.9612 14.9612 15.0730 15.0730 16.2157 16.2157 16.2349 16.2349 16.5657 16.5657 k = 0.3611 0.3611-0.0000 ( 6008 PWs) bands (ev): -42.1931 -42.1931 -42.1620 -42.1620 -42.1501 -42.1501 -18.9922 -18.9922 -18.9442 -18.9442 -18.8729 -18.8729 -18.3968 -18.3968 -18.3274 -18.3274 -18.2759 -18.2759 -18.2333 -18.2333 -18.1676 -18.1676 -18.1182 -18.1182 -0.3297 -0.3297 -0.0611 -0.0611 -0.0344 -0.0344 0.7736 0.7736 0.7869 0.7869 0.8177 0.8177 8.0699 8.0699 8.8738 8.8738 9.4915 9.4915 10.2843 10.2843 11.8274 11.8274 12.1436 12.1436 13.0530 13.0530 14.4974 14.4974 14.5686 14.5686 14.9689 14.9689 15.0904 15.0904 16.2397 16.2397 16.2524 16.2524 16.5547 16.5547 k = 0.3519 0.3519-0.0000 ( 6008 PWs) bands (ev): -42.1949 -42.1949 -42.1612 -42.1612 -42.1491 -42.1491 -18.9926 -18.9926 -18.9457 -18.9457 -18.8685 -18.8685 -18.3984 -18.3984 -18.3268 -18.3268 -18.2775 -18.2775 -18.2297 -18.2297 -18.1708 -18.1708 -18.1167 -18.1167 -0.3528 -0.3528 -0.0617 -0.0617 -0.0373 -0.0373 0.7733 0.7733 0.7863 0.7863 0.8159 0.8159 8.0297 8.0297 8.9210 8.9210 9.5457 9.5457 10.3029 10.3029 11.8343 11.8343 12.1694 12.1694 13.0571 13.0571 14.4523 14.4523 14.5254 14.5254 14.9775 14.9775 15.1091 15.1091 16.2374 16.2374 16.2887 16.2887 16.5437 16.5437 k = 0.3426 0.3426-0.0000 ( 6008 PWs) bands (ev): -42.1967 -42.1967 -42.1603 -42.1603 -42.1482 -42.1482 -18.9931 -18.9931 -18.9473 -18.9473 -18.8641 -18.8641 -18.4000 -18.4000 -18.3261 -18.3261 -18.2793 -18.2793 -18.2259 -18.2259 -18.1741 -18.1741 -18.1152 -18.1152 -0.3773 -0.3773 -0.0623 -0.0623 -0.0399 -0.0399 0.7729 0.7729 0.7856 0.7856 0.8141 0.8141 7.9887 7.9887 8.9708 8.9708 9.6000 9.6000 10.3225 10.3225 11.8455 11.8455 12.1967 12.1967 13.0615 13.0615 14.4068 14.4068 14.4813 14.4813 14.9871 14.9871 15.1288 15.1288 16.2244 16.2244 16.3275 16.3275 16.5327 16.5327 k = 0.3333 0.3333-0.0000 ( 6010 PWs) bands (ev): -42.1984 -42.1984 -42.1595 -42.1595 -42.1473 -42.1473 -18.9936 -18.9936 -18.9489 -18.9489 -18.8595 -18.8595 -18.4017 -18.4017 -18.3254 -18.3254 -18.2811 -18.2811 -18.2220 -18.2220 -18.1773 -18.1773 -18.1136 -18.1136 -0.4030 -0.4030 -0.0629 -0.0629 -0.0423 -0.0423 0.7725 0.7725 0.7849 0.7849 0.8122 0.8122 7.9469 7.9469 9.0230 9.0230 9.6542 9.6542 10.3429 10.3429 11.8611 11.8611 12.2255 12.2255 13.0662 13.0662 14.3609 14.3609 14.4364 14.4364 14.9977 14.9977 15.1497 15.1497 16.2013 16.2013 16.3680 16.3680 16.5215 16.5215 k = 0.3241 0.3241-0.0000 ( 6008 PWs) bands (ev): -42.2002 -42.2002 -42.1586 -42.1586 -42.1465 -42.1465 -18.9941 -18.9941 -18.9507 -18.9507 -18.8549 -18.8549 -18.4035 -18.4035 -18.3248 -18.3248 -18.2829 -18.2829 -18.2180 -18.2180 -18.1804 -18.1804 -18.1120 -18.1120 -0.4298 -0.4298 -0.0636 -0.0636 -0.0445 -0.0445 0.7721 0.7721 0.7842 0.7842 0.8102 0.8102 7.9044 7.9044 9.0775 9.0775 9.7083 9.7083 10.3641 10.3641 11.8813 11.8813 12.2557 12.2557 13.0712 13.0712 14.3147 14.3147 14.3910 14.3910 15.0094 15.0094 15.1716 15.1716 16.1695 16.1695 16.4101 16.4101 16.5101 16.5101 k = 0.3148 0.3148-0.0000 ( 6000 PWs) bands (ev): -42.2020 -42.2020 -42.1577 -42.1577 -42.1456 -42.1456 -18.9947 -18.9947 -18.9524 -18.9524 -18.8503 -18.8503 -18.4052 -18.4052 -18.3242 -18.3242 -18.2848 -18.2848 -18.2139 -18.2139 -18.1833 -18.1833 -18.1104 -18.1104 -0.4575 -0.4575 -0.0644 -0.0644 -0.0465 -0.0465 0.7716 0.7716 0.7835 0.7835 0.8082 0.8082 7.8612 7.8612 9.1343 9.1343 9.7622 9.7622 10.3862 10.3862 11.9065 11.9065 12.2873 12.2873 13.0765 13.0765 14.2686 14.2686 14.3452 14.3452 15.0221 15.0221 15.1945 15.1945 16.1306 16.1306 16.4535 16.4535 16.4985 16.4985 k = 0.3056 0.3056-0.0000 ( 6000 PWs) bands (ev): -42.2038 -42.2038 -42.1567 -42.1567 -42.1448 -42.1448 -18.9954 -18.9954 -18.9543 -18.9543 -18.8456 -18.8456 -18.4071 -18.4071 -18.3236 -18.3236 -18.2868 -18.2868 -18.2099 -18.2099 -18.1859 -18.1859 -18.1087 -18.1087 -0.4860 -0.4860 -0.0652 -0.0652 -0.0484 -0.0484 0.7712 0.7712 0.7827 0.7827 0.8061 0.8061 7.8173 7.8173 9.1932 9.1932 9.8156 9.8156 10.4089 10.4089 11.9365 11.9365 12.3201 12.3201 13.0821 13.0821 14.2226 14.2226 14.2991 14.2991 15.0360 15.0360 15.2184 15.2184 16.0865 16.0865 16.4848 16.4848 16.5002 16.5002 k = 0.2963 0.2963-0.0000 ( 6000 PWs) bands (ev): -42.2055 -42.2055 -42.1557 -42.1557 -42.1441 -42.1441 -18.9960 -18.9960 -18.9562 -18.9562 -18.8409 -18.8409 -18.4089 -18.4089 -18.3231 -18.3231 -18.2887 -18.2887 -18.2062 -18.2062 -18.1879 -18.1879 -18.1071 -18.1071 -0.5151 -0.5151 -0.0660 -0.0660 -0.0501 -0.0501 0.7707 0.7707 0.7819 0.7819 0.8040 0.8040 7.7730 7.7730 9.2541 9.2541 9.8685 9.8685 10.4322 10.4322 11.9714 11.9714 12.3541 12.3541 13.0879 13.0879 14.1768 14.1768 14.2529 14.2529 15.0510 15.0510 15.2433 15.2433 16.0387 16.0387 16.4735 16.4735 16.5453 16.5453 k = 0.2870 0.2870-0.0000 ( 6004 PWs) bands (ev): -42.2073 -42.2073 -42.1548 -42.1548 -42.1434 -42.1434 -18.9968 -18.9968 -18.9582 -18.9582 -18.8363 -18.8363 -18.4108 -18.4108 -18.3226 -18.3226 -18.2906 -18.2906 -18.2033 -18.2033 -18.1887 -18.1887 -18.1054 -18.1054 -0.5448 -0.5448 -0.0668 -0.0668 -0.0518 -0.0518 0.7701 0.7701 0.7811 0.7811 0.8019 0.8019 7.7282 7.7282 9.3168 9.3168 9.9209 9.9209 10.4561 10.4561 12.0111 12.0111 12.3891 12.3891 13.0941 13.0941 14.1314 14.1314 14.2067 14.2067 15.0672 15.0672 15.2690 15.2690 15.9884 15.9884 16.4611 16.4611 16.5916 16.5917 k = 0.2778 0.2778-0.0000 ( 6006 PWs) bands (ev): -42.2090 -42.2090 -42.1538 -42.1538 -42.1427 -42.1427 -18.9975 -18.9975 -18.9602 -18.9602 -18.8316 -18.8316 -18.4128 -18.4128 -18.3222 -18.3222 -18.2925 -18.2925 -18.2021 -18.2021 -18.1877 -18.1877 -18.1038 -18.1038 -0.5748 -0.5748 -0.0676 -0.0676 -0.0534 -0.0534 0.7696 0.7696 0.7802 0.7802 0.7997 0.7997 7.6830 7.6830 9.3812 9.3812 9.9727 9.9727 10.4805 10.4805 12.0553 12.0553 12.4251 12.4251 13.1007 13.1007 14.0865 14.0865 14.1606 14.1606 15.0845 15.0845 15.2955 15.2955 15.9367 15.9367 16.4486 16.4486 16.6245 16.6245 k = 0.2685 0.2685-0.0000 ( 5998 PWs) bands (ev): -42.2108 -42.2108 -42.1528 -42.1528 -42.1420 -42.1420 -18.9983 -18.9983 -18.9624 -18.9624 -18.8271 -18.8271 -18.4148 -18.4148 -18.3219 -18.3219 -18.2944 -18.2944 -18.2024 -18.2024 -18.1847 -18.1847 -18.1021 -18.1021 -0.6052 -0.6052 -0.0685 -0.0685 -0.0550 -0.0550 0.7690 0.7690 0.7793 0.7793 0.7975 0.7975 7.6377 7.6377 9.4472 9.4472 10.0239 10.0239 10.5053 10.5053 12.1039 12.1039 12.4620 12.4620 13.1075 13.1075 14.0422 14.0422 14.1147 14.1147 15.1031 15.1031 15.3228 15.3228 15.8846 15.8846 16.4360 16.4361 16.6355 16.6355 k = 0.2593 0.2593-0.0000 ( 5998 PWs) bands (ev): -42.2125 -42.2125 -42.1517 -42.1517 -42.1414 -42.1414 -18.9991 -18.9991 -18.9646 -18.9646 -18.8226 -18.8226 -18.4169 -18.4169 -18.3216 -18.3216 -18.2963 -18.2963 -18.2036 -18.2036 -18.1806 -18.1806 -18.1005 -18.1005 -0.6357 -0.6357 -0.0694 -0.0694 -0.0565 -0.0565 0.7685 0.7685 0.7784 0.7784 0.7952 0.7952 7.5923 7.5923 9.5146 9.5146 10.0744 10.0744 10.5305 10.5305 12.1565 12.1565 12.4997 12.4997 13.1147 13.1147 13.9986 13.9986 14.0691 14.0691 15.1230 15.1230 15.3507 15.3507 15.8330 15.8330 16.4235 16.4235 16.6436 16.6436 k = 0.2500 0.2500-0.0000 ( 5976 PWs) bands (ev): -42.2141 -42.2141 -42.1507 -42.1507 -42.1407 -42.1407 -18.9999 -18.9999 -18.9668 -18.9668 -18.8182 -18.8182 -18.4189 -18.4189 -18.3214 -18.3214 -18.2981 -18.2981 -18.2050 -18.2050 -18.1760 -18.1760 -18.0989 -18.0989 -0.6662 -0.6662 -0.0703 -0.0703 -0.0579 -0.0579 0.7679 0.7679 0.7775 0.7775 0.7930 0.7930 7.5469 7.5469 9.5833 9.5833 10.1244 10.1244 10.5559 10.5559 12.2127 12.2127 12.5381 12.5381 13.1222 13.1222 13.9558 13.9558 14.0240 14.0240 15.1440 15.1440 15.3793 15.3793 15.7825 15.7825 16.4110 16.4110 16.6503 16.6503 k = 0.2407 0.2407-0.0000 ( 5988 PWs) bands (ev): -42.2158 -42.2158 -42.1497 -42.1497 -42.1402 -42.1402 -19.0007 -19.0007 -18.9691 -18.9691 -18.8139 -18.8139 -18.4211 -18.4211 -18.3213 -18.3213 -18.2999 -18.2999 -18.2064 -18.2064 -18.1710 -18.1710 -18.0973 -18.0973 -0.6967 -0.6967 -0.0712 -0.0712 -0.0594 -0.0594 0.7672 0.7672 0.7765 0.7765 0.7907 0.7907 7.5018 7.5018 9.6531 9.6531 10.1736 10.1736 10.5814 10.5814 12.2721 12.2721 12.5769 12.5769 13.1301 13.1301 13.9139 13.9139 13.9793 13.9793 15.1663 15.1663 15.4084 15.4084 15.7341 15.7341 16.3986 16.3986 16.6558 16.6558 k = 0.2315 0.2315-0.0000 ( 5980 PWs) bands (ev): -42.2174 -42.2174 -42.1487 -42.1487 -42.1396 -42.1396 -19.0015 -19.0015 -18.9714 -18.9714 -18.8098 -18.8098 -18.4232 -18.4232 -18.3212 -18.3212 -18.3016 -18.3016 -18.2077 -18.2077 -18.1659 -18.1659 -18.0957 -18.0957 -0.7270 -0.7270 -0.0721 -0.0721 -0.0609 -0.0609 0.7665 0.7665 0.7756 0.7756 0.7884 0.7884 7.4570 7.4570 9.7237 9.7237 10.2223 10.2223 10.6070 10.6070 12.3341 12.3341 12.6162 12.6162 13.1383 13.1383 13.8730 13.8730 13.9353 13.9353 15.1898 15.1898 15.4379 15.4379 15.6885 15.6885 16.3863 16.3863 16.6600 16.6600 k = 0.2222 0.2222-0.0000 ( 5992 PWs) bands (ev): -42.2190 -42.2190 -42.1477 -42.1477 -42.1391 -42.1391 -19.0024 -19.0024 -18.9738 -18.9738 -18.8058 -18.8058 -18.4254 -18.4254 -18.3212 -18.3212 -18.3032 -18.3032 -18.2088 -18.2088 -18.1607 -18.1607 -18.0942 -18.0942 -0.7569 -0.7569 -0.0730 -0.0730 -0.0623 -0.0623 0.7658 0.7658 0.7746 0.7746 0.7861 0.7861 7.4128 7.4128 9.7951 9.7951 10.2704 10.2704 10.6326 10.6326 12.3981 12.3981 12.6558 12.6558 13.1468 13.1468 13.8331 13.8331 13.8920 13.8920 15.2145 15.2145 15.4673 15.4673 15.6467 15.6467 16.3743 16.3743 16.6630 16.6630 k = 0.2130 0.2130-0.0000 ( 5984 PWs) bands (ev): -42.2205 -42.2205 -42.1467 -42.1467 -42.1386 -42.1386 -19.0032 -19.0032 -18.9763 -18.9763 -18.8020 -18.8020 -18.4275 -18.4275 -18.3213 -18.3213 -18.3048 -18.3048 -18.2098 -18.2098 -18.1554 -18.1554 -18.0927 -18.0927 -0.7865 -0.7865 -0.0739 -0.0739 -0.0638 -0.0638 0.7651 0.7651 0.7737 0.7737 0.7839 0.7839 7.3691 7.3691 9.8669 9.8669 10.3178 10.3178 10.6581 10.6581 12.4635 12.4635 12.6954 12.6954 13.1556 13.1556 13.7943 13.7943 13.8495 13.8495 15.2403 15.2403 15.4955 15.4955 15.6107 15.6107 16.3624 16.3624 16.6649 16.6649 k = 0.2037 0.2037-0.0000 ( 5982 PWs) bands (ev): -42.2220 -42.2220 -42.1457 -42.1457 -42.1381 -42.1381 -19.0041 -19.0041 -18.9787 -18.9787 -18.7983 -18.7983 -18.4297 -18.4297 -18.3214 -18.3214 -18.3063 -18.3063 -18.2106 -18.2106 -18.1500 -18.1500 -18.0912 -18.0912 -0.8156 -0.8156 -0.0747 -0.0747 -0.0652 -0.0652 0.7644 0.7644 0.7727 0.7727 0.7816 0.7816 7.3263 7.3263 9.9391 9.9391 10.3645 10.3645 10.6834 10.6834 12.5296 12.5296 12.7351 12.7351 13.1646 13.1646 13.7567 13.7567 13.8078 13.8078 15.2671 15.2671 15.5178 15.5178 15.5860 15.5860 16.3508 16.3508 16.6656 16.6656 k = 0.1944 0.1944-0.0000 ( 5982 PWs) bands (ev): -42.2235 -42.2235 -42.1447 -42.1447 -42.1376 -42.1376 -19.0049 -19.0049 -18.9812 -18.9812 -18.7948 -18.7948 -18.4319 -18.4319 -18.3215 -18.3215 -18.3077 -18.3077 -18.2112 -18.2112 -18.1447 -18.1447 -18.0898 -18.0898 -0.8440 -0.8440 -0.0756 -0.0756 -0.0666 -0.0666 0.7636 0.7636 0.7718 0.7718 0.7794 0.7794 7.2844 7.2844 10.0113 10.0113 10.4106 10.4106 10.7084 10.7084 12.5958 12.5958 12.7746 12.7746 13.1740 13.1740 13.7203 13.7203 13.7670 13.7670 15.2948 15.2948 15.5193 15.5193 15.5881 15.5881 16.3395 16.3395 16.6653 16.6653 k = 0.1852 0.1852-0.0000 ( 5984 PWs) bands (ev): -42.2249 -42.2249 -42.1438 -42.1438 -42.1372 -42.1372 -19.0058 -19.0058 -18.9837 -18.9837 -18.7915 -18.7915 -18.4340 -18.4340 -18.3217 -18.3217 -18.3091 -18.3091 -18.2116 -18.2116 -18.1394 -18.1394 -18.0885 -18.0885 -0.8718 -0.8718 -0.0765 -0.0765 -0.0681 -0.0681 0.7628 0.7628 0.7708 0.7708 0.7772 0.7772 7.2436 7.2436 10.0833 10.0833 10.4560 10.4560 10.7330 10.7330 12.6612 12.6612 12.8138 12.8138 13.1836 13.1836 13.6852 13.6852 13.7273 13.7273 15.3229 15.3229 15.5054 15.5054 15.6129 15.6129 16.3285 16.3285 16.6639 16.6639 k = 0.1759 0.1759-0.0000 ( 5984 PWs) bands (ev): -42.2262 -42.2262 -42.1429 -42.1429 -42.1368 -42.1368 -19.0066 -19.0066 -18.9861 -18.9861 -18.7883 -18.7883 -18.4361 -18.4361 -18.3219 -18.3219 -18.3105 -18.3105 -18.2119 -18.2119 -18.1341 -18.1341 -18.0871 -18.0871 -0.8988 -0.8988 -0.0773 -0.0773 -0.0695 -0.0695 0.7620 0.7620 0.7699 0.7699 0.7751 0.7751 7.2039 7.2039 10.1549 10.1549 10.5006 10.5006 10.7571 10.7571 12.7251 12.7251 12.8527 12.8527 13.1933 13.1933 13.6515 13.6515 13.6887 13.6887 15.3507 15.3507 15.4932 15.4932 15.6445 15.6445 16.3179 16.3179 16.6617 16.6617 k = 0.1667 0.1667-0.0000 ( 5976 PWs) bands (ev): -42.2276 -42.2276 -42.1420 -42.1420 -42.1364 -42.1364 -19.0074 -19.0074 -18.9886 -18.9886 -18.7854 -18.7854 -18.4382 -18.4382 -18.3221 -18.3221 -18.3117 -18.3117 -18.2121 -18.2121 -18.1289 -18.1289 -18.0859 -18.0859 -0.9249 -0.9249 -0.0781 -0.0781 -0.0709 -0.0709 0.7611 0.7611 0.7690 0.7690 0.7730 0.7730 7.1656 7.1656 10.2259 10.2259 10.5443 10.5443 10.7806 10.7806 12.7865 12.7865 12.8911 12.8911 13.2033 13.2033 13.6191 13.6191 13.6513 13.6513 15.3768 15.3768 15.4891 15.4891 15.6786 15.6786 16.3076 16.3076 16.6585 16.6585 k = 0.1574 0.1574-0.0000 ( 6004 PWs) bands (ev): -42.2288 -42.2288 -42.1411 -42.1411 -42.1361 -42.1361 -19.0082 -19.0082 -18.9910 -18.9910 -18.7826 -18.7826 -18.4402 -18.4402 -18.3223 -18.3223 -18.3129 -18.3129 -18.2121 -18.2121 -18.1238 -18.1238 -18.0846 -18.0846 -0.9501 -0.9501 -0.0789 -0.0789 -0.0723 -0.0723 0.7603 0.7603 0.7681 0.7681 0.7710 0.7710 7.1287 7.1287 10.2958 10.2958 10.5871 10.5871 10.8035 10.8035 12.8445 12.8445 12.9290 12.9290 13.2133 13.2133 13.5882 13.5882 13.6153 13.6153 15.3997 15.3997 15.4963 15.4963 15.7143 15.7143 16.2978 16.2978 16.6546 16.6546 k = 0.1481 0.1481-0.0000 ( 6002 PWs) bands (ev): -42.2300 -42.2300 -42.1403 -42.1403 -42.1357 -42.1357 -19.0089 -19.0089 -18.9934 -18.9934 -18.7800 -18.7800 -18.4422 -18.4422 -18.3224 -18.3224 -18.3141 -18.3141 -18.2121 -18.2121 -18.1188 -18.1188 -18.0835 -18.0835 -0.9742 -0.9742 -0.0797 -0.0797 -0.0736 -0.0736 0.7594 0.7594 0.7672 0.7672 0.7692 0.7692 7.0934 7.0934 10.3645 10.3645 10.6288 10.6288 10.8256 10.8256 12.8982 12.8982 12.9667 12.9667 13.2233 13.2233 13.5586 13.5586 13.5807 13.5807 15.4190 15.4190 15.5155 15.5155 15.7515 15.7515 16.2884 16.2884 16.6500 16.6500 k = 0.1389 0.1389-0.0000 ( 5996 PWs) bands (ev): -42.2312 -42.2312 -42.1395 -42.1395 -42.1354 -42.1354 -19.0097 -19.0097 -18.9957 -18.9957 -18.7776 -18.7776 -18.4440 -18.4440 -18.3226 -18.3226 -18.3152 -18.3152 -18.2119 -18.2119 -18.1140 -18.1140 -18.0824 -18.0824 -0.9973 -0.9973 -0.0804 -0.0804 -0.0749 -0.0749 0.7585 0.7585 0.7660 0.7660 0.7677 0.7677 7.0597 7.0597 10.4316 10.4316 10.6693 10.6693 10.8468 10.8468 12.9467 12.9467 13.0042 13.0042 13.2333 13.2333 13.5304 13.5304 13.5479 13.5479 15.4379 15.4379 15.5444 15.5444 15.7902 15.7902 16.2794 16.2794 16.6447 16.6447 k = 0.1296 0.1296-0.0000 ( 5992 PWs) bands (ev): -42.2322 -42.2322 -42.1387 -42.1387 -42.1351 -42.1351 -19.0104 -19.0104 -18.9980 -18.9980 -18.7754 -18.7754 -18.4458 -18.4458 -18.3227 -18.3227 -18.3162 -18.3162 -18.2117 -18.2117 -18.1093 -18.1093 -18.0813 -18.0813 -1.0192 -1.0192 -0.0811 -0.0811 -0.0762 -0.0762 0.7577 0.7577 0.7644 0.7644 0.7667 0.7667 7.0278 7.0278 10.4968 10.4968 10.7085 10.7085 10.8671 10.8671 12.9893 12.9893 13.0415 13.0415 13.2432 13.2432 13.5033 13.5033 13.5171 13.5171 15.4597 15.4597 15.5796 15.5796 15.8303 15.8303 16.2710 16.2710 16.6388 16.6388 k = 0.1204 0.1204-0.0000 ( 5988 PWs) bands (ev): -42.2333 -42.2333 -42.1380 -42.1380 -42.1348 -42.1348 -19.0110 -19.0110 -19.0002 -19.0002 -18.7734 -18.7734 -18.4475 -18.4475 -18.3229 -18.3229 -18.3171 -18.3171 -18.2114 -18.2114 -18.1049 -18.1049 -18.0803 -18.0803 -1.0399 -1.0399 -0.0817 -0.0817 -0.0774 -0.0774 0.7568 0.7568 0.7628 0.7628 0.7659 0.7659 6.9977 6.9977 10.5597 10.5597 10.7461 10.7461 10.8863 10.8863 13.0264 13.0264 13.0777 13.0777 13.2530 13.2530 13.4771 13.4771 13.4888 13.4888 15.4867 15.4867 15.6192 15.6192 15.8720 15.8720 16.2630 16.2630 16.6324 16.6324 k = 0.1111 0.1111-0.0000 ( 5990 PWs) bands (ev): -42.2342 -42.2342 -42.1373 -42.1373 -42.1346 -42.1346 -19.0117 -19.0117 -19.0022 -19.0022 -18.7715 -18.7715 -18.4491 -18.4491 -18.3230 -18.3230 -18.3180 -18.3180 -18.2111 -18.2111 -18.1006 -18.1006 -18.0794 -18.0794 -1.0592 -1.0592 -0.0824 -0.0824 -0.0786 -0.0786 0.7560 0.7560 0.7611 0.7611 0.7653 0.7653 6.9696 6.9696 10.6201 10.6201 10.7821 10.7821 10.9045 10.9045 13.0589 13.0589 13.1115 13.1115 13.2624 13.2624 13.4513 13.4513 13.4636 13.4636 15.5195 15.5195 15.6621 15.6621 15.9153 15.9153 16.2556 16.2556 16.6255 16.6255 k = 0.1019 0.1019-0.0000 ( 5984 PWs) bands (ev): -42.2351 -42.2351 -42.1367 -42.1367 -42.1344 -42.1344 -19.0123 -19.0123 -19.0042 -19.0042 -18.7698 -18.7698 -18.4506 -18.4506 -18.3231 -18.3231 -18.3189 -18.3189 -18.2108 -18.2108 -18.0966 -18.0966 -18.0786 -18.0786 -1.0773 -1.0773 -0.0829 -0.0829 -0.0797 -0.0797 0.7552 0.7552 0.7596 0.7596 0.7647 0.7647 6.9434 6.9434 10.6776 10.6776 10.8162 10.8162 10.9215 10.9215 13.0875 13.0875 13.1420 13.1420 13.2715 13.2715 13.4265 13.4265 13.4412 13.4412 15.5585 15.5585 15.7079 15.7079 15.9604 15.9604 16.2487 16.2487 16.6180 16.6180 k = 0.0926 0.0926-0.0000 ( 5986 PWs) bands (ev): -42.2359 -42.2359 -42.1361 -42.1361 -42.1342 -42.1342 -19.0128 -19.0128 -19.0061 -19.0061 -18.7683 -18.7683 -18.4519 -18.4519 -18.3232 -18.3232 -18.3197 -18.3197 -18.2104 -18.2104 -18.0929 -18.0929 -18.0778 -18.0778 -1.0939 -1.0939 -0.0835 -0.0835 -0.0808 -0.0808 0.7545 0.7545 0.7581 0.7581 0.7642 0.7642 6.9192 6.9192 10.7317 10.7317 10.8483 10.8483 10.9373 10.9373 13.1129 13.1129 13.1683 13.1683 13.2802 13.2802 13.4035 13.4035 13.4212 13.4212 15.6031 15.6031 15.7563 15.7563 16.0073 16.0073 16.2423 16.2423 16.6098 16.6098 k = 0.0833 0.0833-0.0000 ( 5998 PWs) bands (ev): -42.2367 -42.2367 -42.1355 -42.1355 -42.1340 -42.1340 -19.0133 -19.0133 -19.0078 -19.0078 -18.7669 -18.7669 -18.4532 -18.4532 -18.3232 -18.3232 -18.3204 -18.3204 -18.2101 -18.2101 -18.0895 -18.0895 -18.0771 -18.0771 -1.1091 -1.1091 -0.0840 -0.0840 -0.0817 -0.0817 0.7538 0.7538 0.7567 0.7567 0.7637 0.7637 6.8972 6.8972 10.7821 10.7821 10.8781 10.8781 10.9517 10.9517 13.1354 13.1354 13.1901 13.1901 13.2883 13.2883 13.3827 13.3827 13.4033 13.4033 15.6529 15.6529 15.8071 15.8071 16.0557 16.0557 16.2366 16.2366 16.6009 16.6009 k = 0.0741 0.0741-0.0000 ( 5996 PWs) bands (ev): -42.2373 -42.2373 -42.1351 -42.1351 -42.1338 -42.1338 -19.0138 -19.0138 -19.0093 -19.0093 -18.7657 -18.7657 -18.4543 -18.4543 -18.3233 -18.3233 -18.3210 -18.3210 -18.2098 -18.2098 -18.0863 -18.0863 -18.0764 -18.0764 -1.1228 -1.1228 -0.0844 -0.0844 -0.0826 -0.0826 0.7531 0.7531 0.7555 0.7555 0.7633 0.7633 6.8774 6.8774 10.8285 10.8285 10.9055 10.9055 10.9648 10.9648 13.1552 13.1552 13.2073 13.2073 13.2957 13.2957 13.3648 13.3648 13.3873 13.3873 15.7071 15.7071 15.8602 15.8602 16.1055 16.1055 16.2314 16.2314 16.5910 16.5910 k = 0.0648 0.0648-0.0000 ( 5998 PWs) bands (ev): -42.2379 -42.2379 -42.1346 -42.1346 -42.1337 -42.1337 -19.0142 -19.0142 -19.0107 -19.0107 -18.7647 -18.7647 -18.4553 -18.4553 -18.3233 -18.3233 -18.3216 -18.3216 -18.2095 -18.2095 -18.0835 -18.0835 -18.0759 -18.0759 -1.1350 -1.1350 -0.0848 -0.0848 -0.0834 -0.0834 0.7525 0.7525 0.7543 0.7543 0.7630 0.7630 6.8598 6.8598 10.8705 10.8705 10.9303 10.9303 10.9765 10.9765 13.1723 13.1723 13.2197 13.2197 13.3025 13.3025 13.3503 13.3503 13.3732 13.3732 15.7647 15.7647 15.9151 15.9151 16.1559 16.1559 16.2269 16.2269 16.5797 16.5797 k = 0.0556 0.0556-0.0000 ( 6004 PWs) bands (ev): -42.2384 -42.2384 -42.1342 -42.1342 -42.1335 -42.1335 -19.0145 -19.0145 -19.0120 -19.0120 -18.7638 -18.7638 -18.4562 -18.4562 -18.3234 -18.3234 -18.3221 -18.3221 -18.2092 -18.2092 -18.0810 -18.0810 -18.0754 -18.0754 -1.1457 -1.1457 -0.0852 -0.0852 -0.0841 -0.0841 0.7520 0.7520 0.7533 0.7533 0.7627 0.7627 6.8445 6.8445 10.9077 10.9077 10.9521 10.9521 10.9867 10.9867 13.1869 13.1869 13.2275 13.2275 13.3084 13.3084 13.3395 13.3395 13.3611 13.3611 15.8249 15.8249 15.9714 15.9714 16.2050 16.2050 16.2237 16.2237 16.5668 16.5668 k = 0.0463 0.0463-0.0000 ( 6012 PWs) bands (ev): -42.2389 -42.2389 -42.1339 -42.1339 -42.1334 -42.1334 -19.0148 -19.0148 -19.0131 -19.0131 -18.7630 -18.7630 -18.4569 -18.4569 -18.3234 -18.3234 -18.3225 -18.3225 -18.2089 -18.2089 -18.0789 -18.0789 -18.0750 -18.0750 -1.1547 -1.1547 -0.0855 -0.0855 -0.0847 -0.0847 0.7516 0.7516 0.7525 0.7525 0.7624 0.7624 6.8314 6.8314 10.9398 10.9398 10.9710 10.9710 10.9954 10.9954 13.1991 13.1991 13.2310 13.2310 13.3135 13.3135 13.3325 13.3325 13.3508 13.3508 15.8870 15.8870 16.0278 16.0278 16.2190 16.2190 16.2526 16.2526 16.5530 16.5530 k = 0.0370 0.0370-0.0000 ( 6024 PWs) bands (ev): -42.2392 -42.2392 -42.1337 -42.1337 -42.1333 -42.1333 -19.0151 -19.0151 -19.0139 -19.0139 -18.7624 -18.7624 -18.4575 -18.4575 -18.3234 -18.3234 -18.3228 -18.3228 -18.2087 -18.2087 -18.0772 -18.0772 -18.0746 -18.0746 -1.1621 -1.1621 -0.0857 -0.0857 -0.0853 -0.0853 0.7512 0.7512 0.7518 0.7518 0.7622 0.7622 6.8207 6.8207 10.9665 10.9665 10.9867 10.9867 11.0027 11.0027 13.2089 13.2089 13.2314 13.2314 13.3176 13.3176 13.3286 13.3286 13.3426 13.3426 15.9501 15.9501 16.0828 16.0828 16.2168 16.2168 16.2882 16.2882 16.5419 16.5419 k = 0.0278 0.0278-0.0000 ( 6031 PWs) bands (ev): -42.2395 -42.2395 -42.1335 -42.1335 -42.1333 -42.1333 -19.0153 -19.0153 -19.0146 -19.0146 -18.7619 -18.7619 -18.4580 -18.4580 -18.3234 -18.3234 -18.3231 -18.3231 -18.2085 -18.2085 -18.0758 -18.0758 -18.0744 -18.0744 -1.1680 -1.1680 -0.0859 -0.0859 -0.0857 -0.0857 0.7509 0.7509 0.7512 0.7512 0.7621 0.7621 6.8124 6.8124 10.9875 10.9875 10.9990 10.9990 11.0085 11.0085 13.2165 13.2165 13.2300 13.2300 13.3207 13.3207 13.3267 13.3267 13.3365 13.3365 16.0136 16.0136 16.1336 16.1336 16.2154 16.2154 16.3026 16.3026 16.5427 16.5427 k = 0.0185 0.0185-0.0000 ( 6031 PWs) bands (ev): -42.2397 -42.2397 -42.1333 -42.1333 -42.1332 -42.1332 -19.0154 -19.0154 -19.0151 -19.0151 -18.7616 -18.7616 -18.4583 -18.4583 -18.3234 -18.3234 -18.3233 -18.3233 -18.2084 -18.2084 -18.0748 -18.0748 -18.0742 -18.0742 -1.1721 -1.1721 -0.0861 -0.0861 -0.0859 -0.0859 0.7507 0.7507 0.7508 0.7508 0.7619 0.7619 6.8064 6.8064 11.0024 11.0024 11.0077 11.0077 11.0130 11.0130 13.2218 13.2218 13.2281 13.2281 13.3227 13.3227 13.3255 13.3255 13.3328 13.3328 16.0767 16.0767 16.1751 16.1751 16.2160 16.2160 16.2875 16.2875 16.5622 16.5622 k = 0.0093 0.0093-0.0000 ( 6031 PWs) bands (ev): -42.2398 -42.2398 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0154 -19.0154 -18.7614 -18.7614 -18.4585 -18.4585 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0742 -18.0742 -18.0740 -18.0740 -1.1746 -1.1746 -0.0861 -0.0861 -0.0861 -0.0861 0.7506 0.7506 0.7506 0.7506 0.7619 0.7619 6.8028 6.8028 11.0110 11.0110 11.0123 11.0123 11.0167 11.0167 13.2250 13.2250 13.2266 13.2266 13.3237 13.3237 13.3245 13.3245 13.3314 13.3314 16.1382 16.1382 16.1980 16.1980 16.2226 16.2226 16.2491 16.2491 16.5903 16.5903 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -42.2399 -42.2399 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0155 -19.0155 -18.7613 -18.7613 -18.4586 -18.4586 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0740 -18.0740 -18.0740 -18.0740 -1.1754 -1.1754 -0.0862 -0.0862 -0.0862 -0.0862 0.7505 0.7505 0.7505 0.7505 0.7618 0.7618 6.8016 6.8016 11.0137 11.0137 11.0137 11.0137 11.0184 11.0184 13.2260 13.2260 13.2260 13.2260 13.3240 13.3240 13.3240 13.3240 13.3312 13.3312 16.1916 16.1916 16.2024 16.2024 16.2024 16.2024 16.2289 16.2289 16.6046 16.6046 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -42.2399 -42.2399 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0155 -19.0155 -18.7613 -18.7613 -18.4586 -18.4586 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0740 -18.0740 -18.0740 -18.0740 -1.1754 -1.1754 -0.0862 -0.0862 -0.0862 -0.0862 0.7505 0.7505 0.7505 0.7505 0.7618 0.7618 6.8016 6.8016 11.0137 11.0137 11.0137 11.0137 11.0184 11.0184 13.2260 13.2260 13.2260 13.2260 13.3240 13.3240 13.3240 13.3240 13.3312 13.3312 16.1916 16.1916 16.2024 16.2024 16.2024 16.2024 16.2289 16.2289 16.6046 16.6046 k = 0.0077 0.0077 0.0077 ( 6031 PWs) bands (ev): -42.2398 -42.2398 -42.1332 -42.1332 -42.1332 -42.1332 -19.0155 -19.0155 -19.0154 -19.0154 -18.7614 -18.7614 -18.4585 -18.4585 -18.3234 -18.3234 -18.3234 -18.3234 -18.2083 -18.2083 -18.0742 -18.0742 -18.0740 -18.0740 -1.1746 -1.1746 -0.0861 -0.0861 -0.0861 -0.0861 0.7506 0.7506 0.7506 0.7506 0.7619 0.7619 6.8028 6.8028 11.0113 11.0113 11.0121 11.0121 11.0166 11.0166 13.2256 13.2256 13.2259 13.2259 13.3236 13.3236 13.3246 13.3246 13.3315 13.3315 16.1369 16.1369 16.1992 16.1992 16.2205 16.2205 16.2507 16.2507 16.5923 16.5923 k = 0.0154 0.0154 0.0154 ( 6031 PWs) bands (ev): -42.2397 -42.2397 -42.1333 -42.1333 -42.1333 -42.1333 -19.0154 -19.0154 -19.0151 -19.0151 -18.7616 -18.7616 -18.4583 -18.4583 -18.3234 -18.3234 -18.3233 -18.3233 -18.2084 -18.2084 -18.0749 -18.0749 -18.0741 -18.0741 -1.1720 -1.1720 -0.0860 -0.0860 -0.0859 -0.0859 0.7507 0.7507 0.7508 0.7508 0.7619 0.7619 6.8065 6.8065 11.0041 11.0041 11.0062 11.0062 11.0120 11.0120 13.2241 13.2241 13.2256 13.2256 13.3217 13.3217 13.3265 13.3265 13.3329 13.3329 16.0724 16.0724 16.1895 16.1895 16.1973 16.1973 16.2956 16.2956 16.5642 16.5642 k = 0.0231 0.0231 0.0231 ( 6031 PWs) bands (ev): -42.2395 -42.2395 -42.1334 -42.1334 -42.1334 -42.1334 -19.0153 -19.0153 -19.0146 -19.0146 -18.7620 -18.7620 -18.4580 -18.4580 -18.3234 -18.3234 -18.3231 -18.3231 -18.2085 -18.2085 -18.0759 -18.0759 -18.0743 -18.0743 -1.1677 -1.1677 -0.0859 -0.0859 -0.0857 -0.0857 0.7510 0.7510 0.7512 0.7512 0.7621 0.7621 6.8127 6.8127 10.9922 10.9922 10.9949 10.9949 11.0060 11.0060 13.2215 13.2215 13.2247 13.2247 13.3178 13.3178 13.3299 13.3299 13.3365 13.3365 16.0047 16.0047 16.1627 16.1627 16.1733 16.1733 16.3310 16.3310 16.5332 16.5332 k = 0.0308 0.0308 0.0308 ( 6028 PWs) bands (ev): -42.2392 -42.2392 -42.1335 -42.1335 -42.1335 -42.1335 -19.0151 -19.0151 -19.0139 -19.0139 -18.7625 -18.7625 -18.4575 -18.4575 -18.3233 -18.3233 -18.3229 -18.3229 -18.2087 -18.2087 -18.0774 -18.0774 -18.0745 -18.0745 -1.1617 -1.1617 -0.0857 -0.0857 -0.0853 -0.0853 0.7513 0.7513 0.7517 0.7517 0.7622 0.7622 6.8214 6.8214 10.9757 10.9757 10.9786 10.9786 10.9982 10.9982 13.2172 13.2172 13.2228 13.2228 13.3117 13.3117 13.3353 13.3353 13.3423 13.3423 15.9347 15.9347 16.1210 16.1210 16.1507 16.1507 16.3575 16.3575 16.5056 16.5056 k = 0.0385 0.0385 0.0385 ( 6010 PWs) bands (ev): -42.2388 -42.2388 -42.1337 -42.1337 -42.1337 -42.1337 -19.0148 -19.0148 -19.0130 -19.0130 -18.7631 -18.7631 -18.4568 -18.4568 -18.3233 -18.3233 -18.3226 -18.3226 -18.2089 -18.2089 -18.0793 -18.0793 -18.0748 -18.0748 -1.1539 -1.1539 -0.0854 -0.0854 -0.0847 -0.0847 0.7517 0.7517 0.7524 0.7524 0.7625 0.7625 6.8325 6.8325 10.9547 10.9547 10.9577 10.9577 10.9884 10.9884 13.2109 13.2109 13.2195 13.2195 13.3035 13.3035 13.3430 13.3430 13.3505 13.3505 15.8635 15.8635 16.0756 16.0756 16.1226 16.1226 16.3767 16.3767 16.4836 16.4836 k = 0.0462 0.0462 0.0462 ( 5998 PWs) bands (ev): -42.2384 -42.2384 -42.1339 -42.1339 -42.1339 -42.1339 -19.0145 -19.0145 -19.0119 -19.0119 -18.7639 -18.7639 -18.4561 -18.4561 -18.3232 -18.3232 -18.3222 -18.3222 -18.2092 -18.2092 -18.0815 -18.0815 -18.0752 -18.0752 -1.1445 -1.1445 -0.0851 -0.0851 -0.0841 -0.0841 0.7523 0.7523 0.7532 0.7532 0.7627 0.7627 6.8460 6.8460 10.9295 10.9295 10.9325 10.9325 10.9765 10.9765 13.2024 13.2024 13.2144 13.2144 13.2929 13.2929 13.3532 13.3532 13.3614 13.3614 15.7919 15.7919 16.0294 16.0294 16.0904 16.0904 16.3909 16.3909 16.4671 16.4671 k = 0.0538 0.0538 0.0538 ( 5992 PWs) bands (ev): -42.2379 -42.2379 -42.1342 -42.1342 -42.1342 -42.1342 -19.0141 -19.0141 -19.0106 -19.0106 -18.7648 -18.7648 -18.4552 -18.4552 -18.3231 -18.3231 -18.3217 -18.3217 -18.2095 -18.2095 -18.0842 -18.0842 -18.0755 -18.0755 -1.1335 -1.1335 -0.0847 -0.0847 -0.0834 -0.0834 0.7529 0.7529 0.7542 0.7542 0.7631 0.7631 6.8620 6.8620 10.9002 10.9002 10.9032 10.9032 10.9625 10.9625 13.1916 13.1916 13.2075 13.2075 13.2799 13.2799 13.3660 13.3660 13.3747 13.3747 15.7206 15.7206 15.9841 15.9841 16.0558 16.0558 16.4017 16.4017 16.4552 16.4552 k = 0.0615 0.0615 0.0615 ( 5995 PWs) bands (ev): -42.2372 -42.2372 -42.1345 -42.1345 -42.1345 -42.1345 -19.0137 -19.0137 -19.0092 -19.0092 -18.7659 -18.7659 -18.4542 -18.4542 -18.3231 -18.3231 -18.3212 -18.3212 -18.2098 -18.2098 -18.0872 -18.0872 -18.0760 -18.0760 -1.1208 -1.1208 -0.0843 -0.0843 -0.0826 -0.0826 0.7535 0.7535 0.7553 0.7553 0.7634 0.7634 6.8803 6.8803 10.8670 10.8670 10.8700 10.8700 10.9463 10.9463 13.1784 13.1784 13.1987 13.1987 13.2642 13.2642 13.3814 13.3814 13.3905 13.3905 15.6507 15.6507 15.9409 15.9409 16.0203 16.0203 16.4102 16.4102 16.4469 16.4469 k = 0.0692 0.0692 0.0692 ( 5989 PWs) bands (ev): -42.2365 -42.2365 -42.1348 -42.1348 -42.1348 -42.1348 -19.0133 -19.0133 -19.0076 -19.0076 -18.7672 -18.7672 -18.4530 -18.4530 -18.3230 -18.3230 -18.3205 -18.3205 -18.2101 -18.2101 -18.0906 -18.0906 -18.0765 -18.0765 -1.1064 -1.1064 -0.0838 -0.0838 -0.0817 -0.0817 0.7543 0.7543 0.7565 0.7565 0.7639 0.7639 6.9009 6.9009 10.8302 10.8302 10.8332 10.8332 10.9281 10.9281 13.1628 13.1628 13.1880 13.1880 13.2458 13.2458 13.3993 13.3993 13.4086 13.4086 15.5828 15.5828 15.9005 15.9005 15.9851 15.9851 16.4170 16.4170 16.4410 16.4410 k = 0.0769 0.0769 0.0769 ( 5995 PWs) bands (ev): -42.2358 -42.2358 -42.1352 -42.1352 -42.1352 -42.1352 -19.0128 -19.0128 -19.0058 -19.0058 -18.7686 -18.7686 -18.4517 -18.4517 -18.3230 -18.3230 -18.3198 -18.3198 -18.2104 -18.2104 -18.0943 -18.0943 -18.0771 -18.0771 -1.0905 -1.0905 -0.0833 -0.0833 -0.0807 -0.0807 0.7551 0.7551 0.7578 0.7578 0.7644 0.7644 6.9239 6.9239 10.7901 10.7901 10.7930 10.7930 10.9078 10.9078 13.1446 13.1446 13.1755 13.1755 13.2244 13.2244 13.4194 13.4194 13.4289 13.4289 15.5179 15.5179 15.8633 15.8633 15.9512 15.9512 16.4225 16.4225 16.4367 16.4367 k = 0.0846 0.0846 0.0846 ( 5989 PWs) bands (ev): -42.2349 -42.2349 -42.1356 -42.1356 -42.1356 -42.1356 -19.0124 -19.0124 -19.0039 -19.0039 -18.7702 -18.7702 -18.4503 -18.4503 -18.3229 -18.3229 -18.3191 -18.3191 -18.2106 -18.2106 -18.0983 -18.0983 -18.0776 -18.0776 -1.0730 -1.0730 -0.0827 -0.0827 -0.0796 -0.0796 0.7559 0.7559 0.7593 0.7593 0.7649 0.7649 6.9491 6.9491 10.7468 10.7468 10.7498 10.7498 10.8853 10.8853 13.1239 13.1239 13.1614 13.1614 13.2002 13.2002 13.4417 13.4417 13.4512 13.4512 15.4568 15.4568 15.8297 15.8297 15.9192 15.9192 16.4269 16.4269 16.4333 16.4333 k = 0.0923 0.0923 0.0923 ( 5983 PWs) bands (ev): -42.2340 -42.2340 -42.1360 -42.1360 -42.1360 -42.1360 -19.0119 -19.0119 -19.0018 -19.0018 -18.7720 -18.7720 -18.4487 -18.4487 -18.3229 -18.3229 -18.3182 -18.3182 -18.2109 -18.2109 -18.1026 -18.1026 -18.0783 -18.0783 -1.0540 -1.0540 -0.0821 -0.0821 -0.0785 -0.0785 0.7567 0.7567 0.7608 0.7608 0.7656 0.7656 6.9764 6.9764 10.7007 10.7007 10.7037 10.7037 10.8608 10.8608 13.1003 13.1003 13.1458 13.1458 13.1734 13.1734 13.4660 13.4660 13.4754 13.4754 15.4000 15.4000 15.7996 15.7996 15.8895 15.8895 16.4301 16.4301 16.4303 16.4303 k = 0.1000 0.1000 0.1000 ( 5989 PWs) bands (ev): -42.2330 -42.2330 -42.1365 -42.1365 -42.1365 -42.1365 -19.0114 -19.0114 -18.9996 -18.9996 -18.7739 -18.7739 -18.4471 -18.4471 -18.3229 -18.3229 -18.3172 -18.3172 -18.2111 -18.2111 -18.1071 -18.1071 -18.0789 -18.0789 -1.0336 -1.0336 -0.0815 -0.0815 -0.0773 -0.0773 0.7576 0.7576 0.7624 0.7624 0.7663 0.7663 7.0060 7.0060 10.6520 10.6520 10.6550 10.6550 10.8342 10.8342 13.0733 13.0733 13.1289 13.1289 13.1446 13.1446 13.4922 13.4922 13.5015 13.5015 15.3483 15.3483 15.7731 15.7731 15.8625 15.8625 16.4273 16.4273 16.4322 16.4322 k = 0.1077 0.1077 0.1077 ( 5995 PWs) bands (ev): -42.2320 -42.2320 -42.1370 -42.1370 -42.1370 -42.1370 -19.0110 -19.0110 -18.9973 -18.9973 -18.7761 -18.7761 -18.4453 -18.4453 -18.3229 -18.3229 -18.3161 -18.3161 -18.2112 -18.2112 -18.1119 -18.1119 -18.0796 -18.0796 -1.0116 -1.0116 -0.0808 -0.0808 -0.0760 -0.0760 0.7584 0.7584 0.7642 0.7642 0.7671 0.7671 7.0376 7.0376 10.6010 10.6010 10.6039 10.6039 10.8055 10.8055 13.0423 13.0423 13.1108 13.1108 13.1146 13.1146 13.5201 13.5201 13.5292 13.5292 15.3019 15.3019 15.7501 15.7501 15.8381 15.8381 16.4241 16.4241 16.4332 16.4332 k = 0.1154 0.1154 0.1154 ( 5977 PWs) bands (ev): -42.2309 -42.2309 -42.1376 -42.1376 -42.1376 -42.1376 -19.0105 -19.0105 -18.9949 -18.9949 -18.7785 -18.7785 -18.4434 -18.4434 -18.3230 -18.3230 -18.3150 -18.3150 -18.2113 -18.2113 -18.1169 -18.1169 -18.0803 -18.0803 -0.9883 -0.9883 -0.0801 -0.0801 -0.0746 -0.0746 0.7592 0.7592 0.7660 0.7660 0.7680 0.7680 7.0713 7.0713 10.5479 10.5479 10.5508 10.5508 10.7747 10.7747 13.0066 13.0066 13.0844 13.0844 13.0916 13.0916 13.5496 13.5496 13.5585 13.5585 15.2613 15.2613 15.7304 15.7304 15.8164 15.8164 16.4205 16.4205 16.4330 16.4330 k = 0.1231 0.1231 0.1231 ( 5983 PWs) bands (ev): -42.2297 -42.2297 -42.1381 -42.1381 -42.1381 -42.1381 -19.0101 -19.0101 -18.9924 -18.9924 -18.7811 -18.7811 -18.4414 -18.4414 -18.3231 -18.3231 -18.3137 -18.3137 -18.2113 -18.2113 -18.1220 -18.1220 -18.0811 -18.0811 -0.9637 -0.9637 -0.0794 -0.0794 -0.0733 -0.0733 0.7599 0.7599 0.7678 0.7678 0.7690 0.7690 7.1068 7.1068 10.4930 10.4930 10.4958 10.4958 10.7419 10.7419 12.9660 12.9660 13.0547 13.0547 13.0716 13.0716 13.5806 13.5806 13.5893 13.5893 15.2265 15.2265 15.7139 15.7139 15.7975 15.7975 16.4164 16.4164 16.4318 16.4318 k = 0.1308 0.1308 0.1308 ( 5977 PWs) bands (ev): -42.2285 -42.2285 -42.1387 -42.1387 -42.1387 -42.1387 -19.0098 -19.0098 -18.9899 -18.9899 -18.7838 -18.7838 -18.4393 -18.4393 -18.3233 -18.3233 -18.3123 -18.3123 -18.2111 -18.2111 -18.1273 -18.1273 -18.0818 -18.0818 -0.9377 -0.9377 -0.0787 -0.0787 -0.0718 -0.0718 0.7606 0.7606 0.7697 0.7697 0.7701 0.7701 7.1443 7.1443 10.4364 10.4364 10.4392 10.4392 10.7070 10.7070 12.9209 12.9209 13.0255 13.0255 13.0508 13.0508 13.6131 13.6131 13.6216 13.6216 15.1974 15.1974 15.7003 15.7003 15.7811 15.7811 16.4116 16.4116 16.4295 16.4295 k = 0.1385 0.1385 0.1385 ( 5989 PWs) bands (ev): -42.2272 -42.2272 -42.1394 -42.1394 -42.1394 -42.1394 -19.0095 -19.0095 -18.9873 -18.9873 -18.7868 -18.7868 -18.4371 -18.4371 -18.3236 -18.3236 -18.3109 -18.3109 -18.2109 -18.2109 -18.1326 -18.1326 -18.0826 -18.0826 -0.9105 -0.9105 -0.0779 -0.0779 -0.0704 -0.0704 0.7612 0.7612 0.7713 0.7713 0.7717 0.7717 7.1835 7.1835 10.3784 10.3784 10.3812 10.3812 10.6700 10.6700 12.8720 12.8720 12.9970 12.9970 13.0295 13.0295 13.6469 13.6469 13.6551 13.6551 15.1740 15.1740 15.6894 15.6894 15.7670 15.7670 16.4063 16.4063 16.4262 16.4262 k = 0.1462 0.1462 0.1462 ( 5986 PWs) bands (ev): -42.2258 -42.2258 -42.1400 -42.1400 -42.1400 -42.1400 -19.0093 -19.0093 -18.9846 -18.9846 -18.7901 -18.7901 -18.4349 -18.4349 -18.3239 -18.3239 -18.3093 -18.3093 -18.2105 -18.2105 -18.1380 -18.1380 -18.0833 -18.0833 -0.8821 -0.8821 -0.0772 -0.0772 -0.0689 -0.0689 0.7618 0.7618 0.7727 0.7727 0.7736 0.7736 7.2244 7.2244 10.3192 10.3192 10.3220 10.3220 10.6309 10.6309 12.8200 12.8200 12.9690 12.9690 13.0078 13.0078 13.6821 13.6821 13.6899 13.6899 15.1561 15.1561 15.6808 15.6808 15.7550 15.7550 16.4005 16.4005 16.4221 16.4221 k = 0.1538 0.1538 0.1538 ( 5983 PWs) bands (ev): -42.2244 -42.2244 -42.1407 -42.1407 -42.1407 -42.1407 -19.0091 -19.0091 -18.9820 -18.9820 -18.7935 -18.7935 -18.4326 -18.4326 -18.3243 -18.3243 -18.3076 -18.3076 -18.2099 -18.2099 -18.1435 -18.1435 -18.0840 -18.0840 -0.8526 -0.8526 -0.0764 -0.0764 -0.0674 -0.0674 0.7623 0.7623 0.7740 0.7740 0.7756 0.7756 7.2669 7.2669 10.2591 10.2591 10.2618 10.2618 10.5898 10.5898 12.7658 12.7658 12.9415 12.9415 12.9860 12.9860 13.7184 13.7184 13.7259 13.7259 15.1431 15.1431 15.6742 15.6742 15.7449 15.7449 16.3944 16.3944 16.4172 16.4172 k = 0.1615 0.1615 0.1615 ( 5992 PWs) bands (ev): -42.2230 -42.2230 -42.1414 -42.1414 -42.1414 -42.1414 -19.0091 -19.0091 -18.9793 -18.9793 -18.7971 -18.7971 -18.4302 -18.4302 -18.3249 -18.3249 -18.3057 -18.3057 -18.2092 -18.2092 -18.1489 -18.1489 -18.0848 -18.0848 -0.8220 -0.8220 -0.0756 -0.0756 -0.0659 -0.0659 0.7627 0.7627 0.7755 0.7755 0.7776 0.7776 7.3108 7.3108 10.1981 10.1981 10.2008 10.2008 10.5466 10.5466 12.7102 12.7102 12.9146 12.9146 12.9642 12.9642 13.7558 13.7558 13.7630 13.7630 15.1348 15.1348 15.6692 15.6692 15.7362 15.7362 16.3880 16.3880 16.4119 16.4119 k = 0.1692 0.1692 0.1692 ( 5992 PWs) bands (ev): -42.2215 -42.2215 -42.1421 -42.1421 -42.1421 -42.1421 -19.0091 -19.0091 -18.9766 -18.9766 -18.8010 -18.8010 -18.4277 -18.4277 -18.3255 -18.3255 -18.3038 -18.3038 -18.2083 -18.2083 -18.1543 -18.1543 -18.0855 -18.0855 -0.7904 -0.7904 -0.0749 -0.0749 -0.0644 -0.0644 0.7631 0.7631 0.7770 0.7770 0.7796 0.7796 7.3561 7.3561 10.1365 10.1365 10.1392 10.1392 10.5013 10.5013 12.6540 12.6540 12.8882 12.8882 12.9426 12.9426 13.7943 13.7943 13.8011 13.8011 15.1307 15.1307 15.6655 15.6655 15.7287 15.7287 16.3818 16.3818 16.4063 16.4063 k = 0.1769 0.1769 0.1769 ( 5989 PWs) bands (ev): -42.2199 -42.2199 -42.1429 -42.1429 -42.1429 -42.1429 -19.0093 -19.0093 -18.9740 -18.9740 -18.8051 -18.8051 -18.4253 -18.4253 -18.3263 -18.3263 -18.3017 -18.3017 -18.2072 -18.2072 -18.1596 -18.1596 -18.0862 -18.0862 -0.7579 -0.7579 -0.0741 -0.0741 -0.0628 -0.0628 0.7634 0.7634 0.7785 0.7785 0.7816 0.7816 7.4026 7.4026 10.0744 10.0744 10.0771 10.0771 10.4541 10.4541 12.5979 12.5979 12.8626 12.8626 12.9214 12.9214 13.8338 13.8338 13.8402 13.8402 15.1302 15.1302 15.6627 15.6627 15.7220 15.7220 16.3759 16.3759 16.4007 16.4007 k = 0.1846 0.1846 0.1846 ( 5986 PWs) bands (ev): -42.2184 -42.2184 -42.1436 -42.1436 -42.1436 -42.1436 -19.0096 -19.0096 -18.9714 -18.9714 -18.8094 -18.8094 -18.4228 -18.4228 -18.3272 -18.3272 -18.2996 -18.2996 -18.2059 -18.2059 -18.1647 -18.1647 -18.0869 -18.0869 -0.7245 -0.7245 -0.0734 -0.0734 -0.0613 -0.0613 0.7636 0.7636 0.7801 0.7801 0.7836 0.7836 7.4502 7.4502 10.0121 10.0121 10.0147 10.0147 10.4048 10.4048 12.5425 12.5425 12.8378 12.8378 12.9007 12.9007 13.8741 13.8741 13.8802 13.8802 15.1330 15.1330 15.6603 15.6603 15.7155 15.7155 16.3707 16.3707 16.3954 16.3954 k = 0.1923 0.1923 0.1923 ( 5992 PWs) bands (ev): -42.2167 -42.2167 -42.1444 -42.1444 -42.1444 -42.1444 -19.0100 -19.0100 -18.9688 -18.9688 -18.8138 -18.8138 -18.4203 -18.4203 -18.3283 -18.3283 -18.2973 -18.2973 -18.2044 -18.2044 -18.1696 -18.1696 -18.0875 -18.0875 -0.6903 -0.6903 -0.0727 -0.0727 -0.0598 -0.0598 0.7638 0.7638 0.7817 0.7817 0.7856 0.7856 7.4987 7.4987 9.9496 9.9496 9.9522 9.9522 10.3537 10.3537 12.4884 12.4884 12.8139 12.8139 12.8808 12.8808 13.9153 13.9153 13.9210 13.9210 15.1385 15.1385 15.6578 15.6578 15.7090 15.7090 16.3664 16.3664 16.3908 16.3908 k = 0.2000 0.2000 0.2000 ( 5998 PWs) bands (ev): -42.2151 -42.2151 -42.1452 -42.1452 -42.1452 -42.1452 -19.0106 -19.0106 -18.9663 -18.9663 -18.8185 -18.8185 -18.4178 -18.4178 -18.3295 -18.3295 -18.2949 -18.2949 -18.2028 -18.2028 -18.1743 -18.1743 -18.0881 -18.0881 -0.6555 -0.6555 -0.0720 -0.0720 -0.0582 -0.0582 0.7639 0.7639 0.7833 0.7833 0.7875 0.7875 7.5480 7.5480 9.8871 9.8871 9.8897 9.8897 10.3007 10.3007 12.4362 12.4362 12.7912 12.7912 12.8616 12.8616 13.9572 13.9572 13.9625 13.9625 15.1462 15.1462 15.6549 15.6549 15.7019 15.7019 16.3634 16.3634 16.3872 16.3872 k = 0.2077 0.2077 0.2077 ( 5986 PWs) bands (ev): -42.2134 -42.2134 -42.1460 -42.1460 -42.1460 -42.1460 -19.0113 -19.0113 -18.9638 -18.9638 -18.8233 -18.8233 -18.4153 -18.4153 -18.3309 -18.3309 -18.2923 -18.2923 -18.2011 -18.2011 -18.1785 -18.1785 -18.0887 -18.0887 -0.6200 -0.6200 -0.0713 -0.0713 -0.0567 -0.0567 0.7640 0.7640 0.7849 0.7849 0.7893 0.7893 7.5980 7.5980 9.8247 9.8247 9.8273 9.8273 10.2460 10.2460 12.3865 12.3865 12.7697 12.7697 12.8435 12.8435 13.9997 13.9997 14.0047 14.0047 15.1557 15.1557 15.6511 15.6511 15.6940 15.6940 16.3620 16.3620 16.3848 16.3848 k = 0.2154 0.2154 0.2154 ( 5992 PWs) bands (ev): -42.2118 -42.2118 -42.1468 -42.1468 -42.1468 -42.1468 -19.0123 -19.0123 -18.9615 -18.9615 -18.8282 -18.8282 -18.4129 -18.4129 -18.3326 -18.3326 -18.2897 -18.2897 -18.1994 -18.1994 -18.1823 -18.1823 -18.0892 -18.0892 -0.5839 -0.5839 -0.0707 -0.0707 -0.0552 -0.0552 0.7640 0.7640 0.7865 0.7865 0.7912 0.7912 7.6484 7.6484 9.7626 9.7626 9.7651 9.7651 10.1897 10.1897 12.3396 12.3396 12.7496 12.7496 12.8266 12.8266 14.0428 14.0428 14.0474 14.0474 15.1666 15.1666 15.6461 15.6461 15.6847 15.6847 16.3624 16.3624 16.3839 16.3839 k = 0.2231 0.2231 0.2231 ( 5986 PWs) bands (ev): -42.2101 -42.2101 -42.1477 -42.1477 -42.1477 -42.1477 -19.0134 -19.0134 -18.9592 -18.9592 -18.8333 -18.8333 -18.4105 -18.4105 -18.3343 -18.3343 -18.2869 -18.2869 -18.1981 -18.1981 -18.1852 -18.1852 -18.0896 -18.0896 -0.5474 -0.5474 -0.0701 -0.0701 -0.0536 -0.0536 0.7639 0.7639 0.7881 0.7881 0.7929 0.7929 7.6991 7.6991 9.7009 9.7009 9.7034 9.7034 10.1320 10.1320 12.2960 12.2960 12.7309 12.7309 12.8109 12.8109 14.0864 14.0864 14.0906 14.0906 15.1784 15.1784 15.6394 15.6394 15.6740 15.6740 16.3648 16.3648 16.3846 16.3846 k = 0.2308 0.2308 0.2308 ( 5995 PWs) bands (ev): -42.2083 -42.2083 -42.1485 -42.1485 -42.1485 -42.1485 -19.0147 -19.0147 -18.9571 -18.9571 -18.8384 -18.8384 -18.4081 -18.4081 -18.3363 -18.3363 -18.2841 -18.2841 -18.1978 -18.1978 -18.1864 -18.1864 -18.0900 -18.0900 -0.5105 -0.5105 -0.0695 -0.0695 -0.0520 -0.0520 0.7637 0.7637 0.7896 0.7896 0.7946 0.7946 7.7500 7.7500 9.6398 9.6398 9.6422 9.6422 10.0729 10.0729 12.2559 12.2559 12.7137 12.7137 12.7966 12.7966 14.1303 14.1303 14.1341 14.1341 15.1908 15.1908 15.6309 15.6309 15.6615 15.6615 16.3694 16.3694 16.3797 16.3797 k = 0.2385 0.2385 0.2385 ( 5995 PWs) bands (ev): -42.2066 -42.2066 -42.1493 -42.1493 -42.1493 -42.1493 -19.0162 -19.0162 -18.9550 -18.9550 -18.8437 -18.8437 -18.4058 -18.4058 -18.3385 -18.3385 -18.2811 -18.2811 -18.1990 -18.1990 -18.1857 -18.1857 -18.0904 -18.0904 -0.4734 -0.4734 -0.0689 -0.0689 -0.0504 -0.0504 0.7635 0.7635 0.7912 0.7912 0.7962 0.7962 7.8007 7.8007 9.5792 9.5792 9.5816 9.5816 10.0127 10.0127 12.2198 12.2198 12.6982 12.6982 12.7837 12.7837 14.1744 14.1744 14.1779 14.1779 15.2033 15.2033 15.6204 15.6204 15.6470 15.6470 16.3221 16.3221 16.3762 16.3762 k = 0.2462 0.2462 0.2462 ( 5983 PWs) bands (ev): -42.2049 -42.2049 -42.1502 -42.1502 -42.1502 -42.1502 -19.0179 -19.0179 -18.9531 -18.9531 -18.8490 -18.8490 -18.4036 -18.4036 -18.3409 -18.3409 -18.2781 -18.2781 -18.2011 -18.2011 -18.1835 -18.1835 -18.0907 -18.0907 -0.4362 -0.4362 -0.0684 -0.0684 -0.0487 -0.0487 0.7632 0.7632 0.7927 0.7927 0.7977 0.7977 7.8511 7.8511 9.5194 9.5194 9.5217 9.5217 9.9515 9.9515 12.1878 12.1878 12.6844 12.6844 12.7724 12.7724 14.2187 14.2187 14.2218 14.2218 15.2157 15.2157 15.6076 15.6076 15.6307 15.6307 16.2584 16.2584 16.3852 16.3852 k = 0.2538 0.2538 0.2538 ( 5983 PWs) bands (ev): -42.2031 -42.2031 -42.1510 -42.1510 -42.1510 -42.1510 -19.0198 -19.0198 -18.9513 -18.9513 -18.8543 -18.8543 -18.4015 -18.4015 -18.3435 -18.3435 -18.2750 -18.2750 -18.2033 -18.2033 -18.1806 -18.1806 -18.0909 -18.0909 -0.3989 -0.3989 -0.0679 -0.0679 -0.0469 -0.0469 0.7629 0.7629 0.7942 0.7942 0.7991 0.7991 7.9011 7.9011 9.4604 9.4604 9.4626 9.4626 9.8896 9.8896 12.1601 12.1601 12.6724 12.6724 12.7628 12.7628 14.2631 14.2631 14.2658 14.2658 15.2276 15.2276 15.5927 15.5927 15.6123 15.6123 16.1952 16.1952 16.3961 16.3961 k = 0.2615 0.2615 0.2615 ( 5995 PWs) bands (ev): -42.2014 -42.2014 -42.1518 -42.1518 -42.1518 -42.1518 -19.0220 -19.0220 -18.9496 -18.9496 -18.8595 -18.8595 -18.3995 -18.3995 -18.3462 -18.3462 -18.2718 -18.2718 -18.2054 -18.2054 -18.1772 -18.1772 -18.0910 -18.0910 -0.3618 -0.3618 -0.0675 -0.0675 -0.0448 -0.0448 0.7624 0.7624 0.7956 0.7956 0.8005 0.8005 7.9503 7.9503 9.4024 9.4024 9.4045 9.4045 9.8273 9.8273 12.1369 12.1369 12.6623 12.6623 12.7548 12.7548 14.3073 14.3073 14.3096 14.3096 15.2388 15.2388 15.5756 15.5756 15.5921 15.5921 16.1329 16.1329 16.4088 16.4088 k = 0.2692 0.2692 0.2692 ( 5995 PWs) bands (ev): -42.1997 -42.1997 -42.1527 -42.1527 -42.1527 -42.1527 -19.0245 -19.0245 -18.9480 -18.9480 -18.8648 -18.8648 -18.3976 -18.3976 -18.3491 -18.3491 -18.2685 -18.2685 -18.2073 -18.2073 -18.1736 -18.1736 -18.0911 -18.0911 -0.3250 -0.3250 -0.0671 -0.0671 -0.0426 -0.0426 0.7619 0.7619 0.7970 0.7970 0.8017 0.8017 7.9987 7.9987 9.3453 9.3453 9.3473 9.3473 9.7647 9.7647 12.1184 12.1184 12.6540 12.6540 12.7486 12.7486 14.3513 14.3513 14.3533 14.3533 15.2488 15.2488 15.5564 15.5564 15.5701 15.5701 16.0717 16.0717 16.4232 16.4232 k = 0.2769 0.2769 0.2769 ( 5986 PWs) bands (ev): -42.1979 -42.1979 -42.1535 -42.1535 -42.1535 -42.1535 -19.0271 -19.0271 -18.9466 -18.9466 -18.8699 -18.8699 -18.3958 -18.3958 -18.3521 -18.3521 -18.2653 -18.2653 -18.2089 -18.2089 -18.1697 -18.1697 -18.0911 -18.0911 -0.2887 -0.2887 -0.0668 -0.0668 -0.0398 -0.0398 0.7613 0.7613 0.7983 0.7983 0.8029 0.8029 8.0459 8.0459 9.2894 9.2894 9.2913 9.2913 9.7021 9.7021 12.1046 12.1046 12.6476 12.6476 12.7441 12.7441 14.3949 14.3949 14.3966 14.3966 15.2576 15.2576 15.5352 15.5352 15.5465 15.5465 16.0117 16.0117 16.4388 16.4388 k = 0.2846 0.2846 0.2846 ( 5992 PWs) bands (ev): -42.1962 -42.1962 -42.1543 -42.1543 -42.1543 -42.1543 -19.0300 -19.0300 -18.9453 -18.9453 -18.8750 -18.8750 -18.3941 -18.3941 -18.3552 -18.3552 -18.2619 -18.2619 -18.2103 -18.2103 -18.1656 -18.1656 -18.0910 -18.0910 -0.2533 -0.2533 -0.0665 -0.0665 -0.0365 -0.0365 0.7607 0.7607 0.7996 0.7996 0.8039 0.8039 8.0918 8.0918 9.2346 9.2346 9.2365 9.2365 9.6398 9.6398 12.0956 12.0956 12.6431 12.6431 12.7415 12.7415 14.4380 14.4380 14.4394 14.4394 15.2649 15.2649 15.5124 15.5124 15.5214 15.5214 15.9530 15.9530 16.4554 16.4554 k = 0.2923 0.2923 0.2923 ( 5992 PWs) bands (ev): -42.1945 -42.1945 -42.1551 -42.1551 -42.1551 -42.1551 -19.0332 -19.0332 -18.9441 -18.9441 -18.8799 -18.8799 -18.3925 -18.3925 -18.3583 -18.3583 -18.2586 -18.2586 -18.2114 -18.2114 -18.1614 -18.1614 -18.0909 -18.0909 -0.2192 -0.2192 -0.0662 -0.0662 -0.0321 -0.0321 0.7600 0.7600 0.8008 0.8008 0.8049 0.8049 8.1362 8.1362 9.1811 9.1811 9.1829 9.1829 9.5780 9.5780 12.0914 12.0914 12.6406 12.6406 12.7407 12.7407 14.4805 14.4805 14.4816 14.4816 15.2704 15.2704 15.4879 15.4879 15.4950 15.4950 15.8957 15.8957 16.4726 16.4726 k = 0.3000 0.3000 0.3000 ( 5968 PWs) bands (ev): -42.1929 -42.1929 -42.1559 -42.1559 -42.1559 -42.1559 -19.0365 -19.0365 -18.9431 -18.9431 -18.8847 -18.8847 -18.3911 -18.3911 -18.3615 -18.3615 -18.2553 -18.2553 -18.2122 -18.2122 -18.1570 -18.1570 -18.0906 -18.0906 -0.1870 -0.1870 -0.0660 -0.0660 -0.0261 -0.0261 0.7592 0.7592 0.8020 0.8020 0.8058 0.8058 8.1789 8.1789 9.1290 9.1290 9.1306 9.1306 9.5169 9.5169 12.0920 12.0920 12.6400 12.6400 12.7416 12.7416 14.5222 14.5222 14.5230 14.5230 15.2740 15.2740 15.4620 15.4620 15.4674 15.4674 15.8399 15.8399 16.4902 16.4902 k = 0.3077 0.3077 0.3077 ( 5992 PWs) bands (ev): -42.1912 -42.1912 -42.1567 -42.1567 -42.1567 -42.1567 -19.0401 -19.0401 -18.9422 -18.9422 -18.8893 -18.8893 -18.3899 -18.3899 -18.3646 -18.3646 -18.2519 -18.2519 -18.2128 -18.2128 -18.1525 -18.1525 -18.0903 -18.0903 -0.1579 -0.1579 -0.0658 -0.0658 -0.0177 -0.0177 0.7583 0.7583 0.8031 0.8031 0.8066 0.8066 8.2196 8.2196 9.0782 9.0782 9.0798 9.0798 9.4569 9.4569 12.0974 12.0974 12.6414 12.6414 12.7444 12.7444 14.5630 14.5630 14.5635 14.5635 15.2755 15.2755 15.4349 15.4349 15.4389 15.4389 15.7856 15.7856 16.5078 16.5078 k = 0.3154 0.3154 0.3154 ( 5986 PWs) bands (ev): -42.1896 -42.1896 -42.1575 -42.1575 -42.1575 -42.1575 -19.0440 -19.0440 -18.9413 -18.9413 -18.8937 -18.8937 -18.3889 -18.3889 -18.3676 -18.3676 -18.2486 -18.2486 -18.2132 -18.2132 -18.1480 -18.1480 -18.0899 -18.0899 -0.1329 -0.1329 -0.0657 -0.0657 -0.0056 -0.0056 0.7574 0.7574 0.8041 0.8041 0.8073 0.8073 8.2582 8.2582 9.0289 9.0289 9.0304 9.0304 9.3982 9.3982 12.1076 12.1076 12.6446 12.6446 12.7490 12.7490 14.6027 14.6027 14.6030 14.6030 15.2748 15.2748 15.4068 15.4068 15.4095 15.4095 15.7330 15.7330 16.5250 16.5250 k = 0.3231 0.3231 0.3231 ( 5992 PWs) bands (ev): -42.1880 -42.1880 -42.1583 -42.1583 -42.1583 -42.1583 -19.0479 -19.0479 -18.9407 -18.9407 -18.8979 -18.8979 -18.3882 -18.3882 -18.3704 -18.3704 -18.2453 -18.2453 -18.2134 -18.2134 -18.1434 -18.1434 -18.0894 -18.0894 -0.1132 -0.1132 -0.0656 -0.0656 0.0112 0.0112 0.7564 0.7564 0.8050 0.8050 0.8079 0.8079 8.2945 8.2945 8.9812 8.9812 8.9826 8.9826 9.3410 9.3410 12.1224 12.1224 12.6496 12.6496 12.7553 12.7553 14.6411 14.6411 14.6412 14.6412 15.2716 15.2716 15.3779 15.3779 15.3794 15.3794 15.6820 15.6820 16.5417 16.5417 k = 0.3308 0.3308 0.3308 ( 5980 PWs) bands (ev): -42.1865 -42.1865 -42.1590 -42.1590 -42.1590 -42.1590 -19.0521 -19.0521 -18.9401 -18.9401 -18.9018 -18.9018 -18.3880 -18.3880 -18.3728 -18.3728 -18.2421 -18.2421 -18.2134 -18.2134 -18.1387 -18.1387 -18.0889 -18.0889 -0.0989 -0.0989 -0.0656 -0.0656 0.0326 0.0326 0.7554 0.7554 0.8059 0.8059 0.8084 0.8084 8.3283 8.3283 8.9351 8.9351 8.9363 8.9363 9.2856 9.2856 12.1417 12.1417 12.6565 12.6565 12.7632 12.7632 14.6780 14.6780 14.6781 14.6781 15.2660 15.2660 15.3484 15.3484 15.3488 15.3488 15.6328 15.6328 16.5575 16.5575 k = 0.3385 0.3385 0.3385 ( 5980 PWs) bands (ev): -42.1850 -42.1850 -42.1597 -42.1597 -42.1597 -42.1597 -19.0564 -19.0564 -18.9396 -18.9396 -18.9056 -18.9056 -18.3885 -18.3885 -18.3746 -18.3746 -18.2390 -18.2390 -18.2132 -18.2132 -18.1341 -18.1341 -18.0883 -18.0883 -0.0892 -0.0892 -0.0655 -0.0655 0.0578 0.0578 0.7542 0.7542 0.8067 0.8067 0.8089 0.8089 8.3595 8.3595 8.8906 8.8906 8.8917 8.8917 9.2324 9.2324 12.1653 12.1653 12.6652 12.6652 12.7728 12.7728 14.7132 14.7132 14.7136 14.7136 15.2576 15.2576 15.3178 15.3178 15.3185 15.3185 15.5854 15.5854 16.5723 16.5723 k = 0.3462 0.3462 0.3462 ( 5986 PWs) bands (ev): -42.1835 -42.1835 -42.1604 -42.1604 -42.1604 -42.1604 -19.0608 -19.0608 -18.9392 -18.9392 -18.9091 -18.9091 -18.3897 -18.3897 -18.3756 -18.3756 -18.2359 -18.2359 -18.2130 -18.2130 -18.1294 -18.1294 -18.0876 -18.0876 -0.0826 -0.0826 -0.0655 -0.0655 0.0853 0.0853 0.7531 0.7531 0.8074 0.8074 0.8092 0.8092 8.3878 8.3878 8.8478 8.8478 8.8489 8.8489 9.1816 9.1816 12.1931 12.1931 12.6755 12.6755 12.7839 12.7839 14.7467 14.7467 14.7473 14.7473 15.2464 15.2464 15.2866 15.2866 15.2887 15.2887 15.5398 15.5398 16.5857 16.5857 k = 0.3538 0.3538 0.3538 ( 5980 PWs) bands (ev): -42.1821 -42.1821 -42.1611 -42.1611 -42.1611 -42.1611 -19.0653 -19.0653 -18.9389 -18.9389 -18.9124 -18.9124 -18.3915 -18.3915 -18.3760 -18.3760 -18.2330 -18.2330 -18.2126 -18.2126 -18.1249 -18.1249 -18.0869 -18.0869 -0.0781 -0.0781 -0.0656 -0.0656 0.1139 0.1139 0.7519 0.7519 0.8081 0.8081 0.8095 0.8095 8.4130 8.4130 8.8069 8.8069 8.8077 8.8077 9.1334 9.1334 12.2248 12.2248 12.6874 12.6874 12.7965 12.7965 14.7784 14.7784 14.7792 14.7792 15.2316 15.2316 15.2552 15.2552 15.2596 15.2596 15.4962 15.4962 16.5977 16.5977 k = 0.3615 0.3615 0.3615 ( 5986 PWs) bands (ev): -42.1807 -42.1807 -42.1618 -42.1618 -42.1618 -42.1618 -19.0698 -19.0698 -18.9387 -18.9387 -18.9155 -18.9155 -18.3938 -18.3938 -18.3760 -18.3760 -18.2301 -18.2301 -18.2122 -18.2122 -18.1204 -18.1204 -18.0861 -18.0861 -0.0750 -0.0750 -0.0656 -0.0656 0.1429 0.1429 0.7506 0.7506 0.8086 0.8086 0.8098 0.8098 8.4351 8.4351 8.7677 8.7677 8.7685 8.7685 9.0884 9.0884 12.2600 12.2600 12.7009 12.7009 12.8103 12.8103 14.8079 14.8079 14.8090 14.8090 15.2122 15.2122 15.2239 15.2239 15.2327 15.2327 15.4546 15.4546 16.6081 16.6081 k = 0.3692 0.3692 0.3692 ( 5989 PWs) bands (ev): -42.1794 -42.1794 -42.1624 -42.1624 -42.1624 -42.1624 -19.0743 -19.0743 -18.9386 -18.9386 -18.9183 -18.9183 -18.3963 -18.3963 -18.3757 -18.3757 -18.2274 -18.2274 -18.2116 -18.2116 -18.1160 -18.1160 -18.0852 -18.0852 -0.0728 -0.0728 -0.0657 -0.0657 0.1716 0.1716 0.7493 0.7493 0.8091 0.8091 0.8100 0.8100 8.4537 8.4537 8.7304 8.7304 8.7310 8.7310 9.0467 9.0467 12.2984 12.2984 12.7159 12.7159 12.8254 12.8254 14.8350 14.8350 14.8366 14.8366 15.1876 15.1876 15.1929 15.1929 15.2088 15.2088 15.4149 15.4149 16.6170 16.6170 k = 0.3769 0.3769 0.3769 ( 5983 PWs) bands (ev): -42.1782 -42.1782 -42.1630 -42.1630 -42.1630 -42.1630 -19.0787 -19.0787 -18.9385 -18.9385 -18.9210 -18.9210 -18.3989 -18.3989 -18.3753 -18.3753 -18.2247 -18.2247 -18.2111 -18.2111 -18.1117 -18.1117 -18.0843 -18.0843 -0.0712 -0.0712 -0.0658 -0.0658 0.1998 0.1998 0.7479 0.7479 0.8095 0.8095 0.8101 0.8101 8.4687 8.4687 8.6949 8.6949 8.6955 8.6955 9.0087 9.0087 12.3396 12.3396 12.7322 12.7322 12.8415 12.8415 14.8595 14.8595 14.8616 14.8616 15.1603 15.1603 15.1626 15.1626 15.1859 15.1859 15.3774 15.3774 16.6243 16.6243 k = 0.3846 0.3846 0.3846 ( 5983 PWs) bands (ev): -42.1770 -42.1770 -42.1636 -42.1636 -42.1636 -42.1636 -19.0831 -19.0831 -18.9384 -18.9384 -18.9234 -18.9234 -18.4014 -18.4014 -18.3748 -18.3748 -18.2223 -18.2223 -18.2105 -18.2105 -18.1075 -18.1075 -18.0834 -18.0834 -0.0700 -0.0700 -0.0659 -0.0659 0.2272 0.2272 0.7465 0.7465 0.8098 0.8098 0.8102 0.8102 8.4800 8.4800 8.6615 8.6615 8.6619 8.6619 8.9747 8.9747 12.3832 12.3832 12.7498 12.7498 12.8585 12.8585 14.8809 14.8809 14.8839 14.8839 15.1330 15.1330 15.1332 15.1332 15.1618 15.1618 15.3419 15.3419 16.6302 16.6302 k = 0.3923 0.3923 0.3923 ( 5989 PWs) bands (ev): -42.1759 -42.1759 -42.1641 -42.1641 -42.1641 -42.1641 -19.0874 -19.0874 -18.9385 -18.9385 -18.9256 -18.9256 -18.4039 -18.4039 -18.3743 -18.3743 -18.2199 -18.2199 -18.2098 -18.2098 -18.1035 -18.1035 -18.0825 -18.0825 -0.0692 -0.0692 -0.0661 -0.0661 0.2535 0.2535 0.7450 0.7450 0.8101 0.8101 0.8102 0.8102 8.4874 8.4874 8.6300 8.6300 8.6303 8.6303 8.9451 8.9451 12.4285 12.4285 12.7687 12.7687 12.8762 12.8762 14.8986 14.8986 14.9028 14.9028 15.1055 15.1055 15.1072 15.1072 15.1362 15.1362 15.3086 15.3086 16.6347 16.6347 k = 0.4000 0.4000 0.4000 ( 5974 PWs) bands (ev): -42.1748 -42.1748 -42.1646 -42.1646 -42.1646 -42.1646 -19.0916 -19.0916 -18.9385 -18.9385 -18.9277 -18.9277 -18.4063 -18.4063 -18.3738 -18.3738 -18.2178 -18.2178 -18.2092 -18.2092 -18.0997 -18.0997 -18.0816 -18.0816 -0.0686 -0.0686 -0.0662 -0.0662 0.2787 0.2787 0.7436 0.7436 0.8102 0.8102 0.8103 0.8103 8.4909 8.4909 8.6005 8.6005 8.6008 8.6008 8.9200 8.9200 12.4749 12.4749 12.7887 12.7887 12.8944 12.8944 14.9113 14.9113 14.9174 14.9174 15.0806 15.0806 15.0842 15.0842 15.1091 15.1091 15.2774 15.2774 16.6380 16.6380 k = 0.4077 0.4077 0.4077 ( 5977 PWs) bands (ev): -42.1738 -42.1738 -42.1651 -42.1651 -42.1651 -42.1651 -19.0956 -19.0956 -18.9386 -18.9386 -18.9296 -18.9296 -18.4086 -18.4086 -18.3733 -18.3733 -18.2157 -18.2157 -18.2086 -18.2086 -18.0961 -18.0961 -18.0806 -18.0806 -0.0682 -0.0682 -0.0664 -0.0664 0.3026 0.3026 0.7421 0.7421 0.8102 0.8102 0.8104 0.8104 8.4908 8.4908 8.5731 8.5731 8.5732 8.5732 8.8993 8.8993 12.5217 12.5217 12.8099 12.8099 12.9129 12.9129 14.9178 14.9178 14.9261 14.9261 15.0602 15.0602 15.0646 15.0646 15.0819 15.0819 15.2484 15.2484 16.6403 16.6403 k = 0.4154 0.4154 0.4154 ( 5989 PWs) bands (ev): -42.1729 -42.1729 -42.1655 -42.1655 -42.1655 -42.1655 -19.0993 -19.0993 -18.9387 -18.9387 -18.9313 -18.9313 -18.4107 -18.4107 -18.3728 -18.3728 -18.2139 -18.2139 -18.2079 -18.2079 -18.0927 -18.0927 -18.0797 -18.0797 -0.0679 -0.0679 -0.0665 -0.0665 0.3251 0.3251 0.7406 0.7406 0.8102 0.8102 0.8104 0.8104 8.4874 8.4874 8.5478 8.5478 8.5478 8.5478 8.8828 8.8828 12.5679 12.5679 12.8322 12.8322 12.9314 12.9314 14.9165 14.9165 14.9271 14.9271 15.0426 15.0426 15.0467 15.0467 15.0623 15.0623 15.2217 15.2217 16.6418 16.6418 k = 0.4231 0.4231 0.4231 ( 5989 PWs) bands (ev): -42.1720 -42.1720 -42.1659 -42.1659 -42.1659 -42.1659 -19.1029 -19.1029 -18.9389 -18.9389 -18.9328 -18.9328 -18.4127 -18.4127 -18.3724 -18.3724 -18.2122 -18.2122 -18.2073 -18.2073 -18.0896 -18.0896 -18.0788 -18.0788 -0.0677 -0.0677 -0.0667 -0.0667 0.3461 0.3461 0.7390 0.7390 0.8101 0.8101 0.8104 0.8104 8.4813 8.4813 8.5245 8.5245 8.5245 8.5245 8.8701 8.8701 12.6128 12.6128 12.8557 12.8557 12.9497 12.9497 14.9078 14.9078 14.9194 14.9194 15.0132 15.0132 15.0409 15.0409 15.0558 15.0558 15.1972 15.1972 16.6428 16.6433 k = 0.4308 0.4308 0.4308 ( 5989 PWs) bands (ev): -42.1713 -42.1713 -42.1663 -42.1663 -42.1663 -42.1663 -19.1061 -19.1061 -18.9390 -18.9390 -18.9342 -18.9342 -18.4145 -18.4145 -18.3720 -18.3720 -18.2106 -18.2106 -18.2068 -18.2068 -18.0867 -18.0867 -18.0780 -18.0780 -0.0676 -0.0676 -0.0668 -0.0668 0.3654 0.3654 0.7375 0.7375 0.8100 0.8100 0.8104 0.8104 8.4732 8.4732 8.5033 8.5033 8.5034 8.5034 8.8607 8.8607 12.6552 12.6552 12.8805 12.8805 12.9675 12.9675 14.8937 14.8937 14.9051 14.9051 14.9817 14.9817 15.0414 15.0414 15.0560 15.0560 15.1751 15.1751 16.6430 16.6430 k = 0.4385 0.4385 0.4385 ( 5992 PWs) bands (ev): -42.1706 -42.1706 -42.1666 -42.1666 -42.1666 -42.1666 -19.1091 -19.1091 -18.9391 -18.9391 -18.9354 -18.9354 -18.4161 -18.4161 -18.3717 -18.3717 -18.2093 -18.2093 -18.2063 -18.2063 -18.0841 -18.0841 -18.0772 -18.0772 -0.0675 -0.0675 -0.0670 -0.0670 0.3831 0.3831 0.7361 0.7361 0.8100 0.8100 0.8103 0.8103 8.4639 8.4639 8.4843 8.4843 8.4845 8.4845 8.8540 8.8540 12.6942 12.6942 12.9064 12.9064 12.9846 12.9846 14.8768 14.8768 14.8876 14.8876 14.9500 14.9500 15.0451 15.0451 15.0593 15.0593 15.1553 15.1553 16.6431 16.6434 k = 0.4462 0.4462 0.4462 ( 5986 PWs) bands (ev): -42.1700 -42.1700 -42.1669 -42.1669 -42.1669 -42.1669 -19.1118 -19.1118 -18.9393 -18.9393 -18.9364 -18.9364 -18.4176 -18.4176 -18.3713 -18.3713 -18.2080 -18.2080 -18.2058 -18.2058 -18.0817 -18.0817 -18.0764 -18.0764 -0.0675 -0.0675 -0.0671 -0.0671 0.3989 0.3989 0.7347 0.7347 0.8099 0.8099 0.8102 0.8102 8.4541 8.4541 8.4675 8.4675 8.4678 8.4678 8.8493 8.8493 12.7288 12.7288 12.9332 12.9332 13.0005 13.0005 14.8592 14.8592 14.8691 14.8691 14.9189 14.9189 15.0501 15.0501 15.0637 15.0637 15.1380 15.1380 16.6430 16.6432 k = 0.4538 0.4538 0.4538 ( 5974 PWs) bands (ev): -42.1694 -42.1694 -42.1672 -42.1672 -42.1672 -42.1672 -19.1142 -19.1142 -18.9394 -18.9394 -18.9373 -18.9373 -18.4189 -18.4189 -18.3711 -18.3711 -18.2070 -18.2070 -18.2053 -18.2053 -18.0797 -18.0797 -18.0758 -18.0758 -0.0675 -0.0675 -0.0672 -0.0672 0.4129 0.4129 0.7334 0.7334 0.8098 0.8098 0.8100 0.8100 8.4444 8.4444 8.4529 8.4529 8.4532 8.4532 8.8461 8.8461 12.7586 12.7586 12.9602 12.9602 13.0151 13.0151 14.8421 14.8421 14.8513 14.8513 14.8894 14.8894 15.0552 15.0552 15.0680 15.0680 15.1232 15.1232 16.6428 16.6435 k = 0.4615 0.4615 0.4615 ( 5968 PWs) bands (ev): -42.1690 -42.1690 -42.1674 -42.1674 -42.1674 -42.1674 -19.1162 -19.1162 -18.9395 -18.9395 -18.9381 -18.9381 -18.4200 -18.4200 -18.3708 -18.3708 -18.2061 -18.2061 -18.2050 -18.2050 -18.0779 -18.0779 -18.0752 -18.0752 -0.0675 -0.0675 -0.0673 -0.0673 0.4249 0.4249 0.7322 0.7322 0.8097 0.8097 0.8099 0.8099 8.4354 8.4354 8.4405 8.4405 8.4409 8.4409 8.8441 8.8441 12.7833 12.7833 12.9864 12.9864 13.0281 13.0281 14.8265 14.8265 14.8351 14.8351 14.8623 14.8623 15.0598 15.0598 15.0716 15.0716 15.1111 15.1111 16.6426 16.6427 k = 0.4692 0.4692 0.4692 ( 5968 PWs) bands (ev): -42.1686 -42.1686 -42.1676 -42.1676 -42.1676 -42.1676 -19.1179 -19.1179 -18.9396 -18.9396 -18.9387 -18.9387 -18.4209 -18.4209 -18.3707 -18.3707 -18.2054 -18.2054 -18.2047 -18.2047 -18.0764 -18.0764 -18.0747 -18.0747 -0.0675 -0.0675 -0.0674 -0.0674 0.4349 0.4349 0.7311 0.7311 0.8097 0.8097 0.8098 0.8098 8.4276 8.4276 8.4303 8.4303 8.4308 8.4308 8.8428 8.8428 12.8031 12.8031 13.0104 13.0104 13.0391 13.0391 14.8128 14.8128 14.8211 14.8211 14.8387 14.8387 15.0637 15.0637 15.0738 15.0738 15.1022 15.1022 16.6422 16.6425 k = 0.4769 0.4769 0.4769 ( 5974 PWs) bands (ev): -42.1683 -42.1683 -42.1677 -42.1677 -42.1677 -42.1677 -19.1193 -19.1193 -18.9397 -18.9397 -18.9392 -18.9392 -18.4216 -18.4216 -18.3705 -18.3705 -18.2048 -18.2048 -18.2044 -18.2044 -18.0753 -18.0753 -18.0743 -18.0743 -0.0676 -0.0676 -0.0675 -0.0675 0.4427 0.4427 0.7303 0.7303 0.8096 0.8096 0.8097 0.8097 8.4211 8.4211 8.4224 8.4224 8.4229 8.4229 8.8420 8.8420 12.8181 12.8181 13.0309 13.0309 13.0479 13.0479 14.8015 14.8015 14.8098 14.8098 14.8194 14.8194 15.0668 15.0668 15.0741 15.0741 15.0967 15.0967 16.6420 16.6422 k = 0.4846 0.4846 0.4846 ( 5983 PWs) bands (ev): -42.1681 -42.1681 -42.1678 -42.1678 -42.1678 -42.1678 -19.1202 -19.1202 -18.9398 -18.9398 -18.9395 -18.9395 -18.4221 -18.4221 -18.3704 -18.3704 -18.2044 -18.2044 -18.2042 -18.2042 -18.0745 -18.0745 -18.0741 -18.0741 -0.0676 -0.0676 -0.0676 -0.0676 0.4483 0.4483 0.7296 0.7296 0.8096 0.8096 0.8096 0.8096 8.4162 8.4162 8.4169 8.4169 8.4172 8.4172 8.8416 8.8416 12.8286 12.8286 13.0465 13.0465 13.0544 13.0544 14.7928 14.7928 14.8015 14.8015 14.8055 14.8055 15.0690 15.0690 15.0729 15.0729 15.0942 15.0942 16.6419 16.6419 k = 0.4923 0.4923 0.4923 ( 6007 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1208 -19.1208 -18.9398 -18.9398 -18.9398 -18.9398 -18.4224 -18.4224 -18.3704 -18.3704 -18.2042 -18.2042 -18.2041 -18.2041 -18.0740 -18.0740 -18.0739 -18.0739 -0.0676 -0.0676 -0.0676 -0.0676 0.4518 0.4518 0.7292 0.7292 0.8095 0.8095 0.8095 0.8095 8.4130 8.4130 8.4137 8.4137 8.4138 8.4138 8.8413 8.8413 12.8349 12.8349 13.0564 13.0564 13.0584 13.0584 14.7870 14.7870 14.7964 14.7964 14.7973 14.7973 15.0703 15.0703 15.0714 15.0714 15.0935 15.0935 16.6417 16.6417 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1210 -19.1210 -18.9398 -18.9398 -18.9398 -18.9398 -18.4225 -18.4225 -18.3703 -18.3703 -18.2041 -18.2041 -18.2041 -18.2041 -18.0738 -18.0738 -18.0738 -18.0738 -0.0676 -0.0676 -0.0676 -0.0676 0.4529 0.4529 0.7291 0.7291 0.8095 0.8095 0.8095 0.8095 8.4120 8.4120 8.4127 8.4127 8.4127 8.4127 8.8413 8.8413 12.8369 12.8369 13.0597 13.0597 13.0597 13.0597 14.7848 14.7848 14.7947 14.7947 14.7947 14.7947 15.0707 15.0707 15.0707 15.0707 15.0934 15.0934 16.6417 16.6417 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1210 -19.1210 -18.9398 -18.9398 -18.9398 -18.9398 -18.4225 -18.4225 -18.3703 -18.3703 -18.2041 -18.2041 -18.2041 -18.2041 -18.0738 -18.0738 -18.0738 -18.0738 -0.0676 -0.0676 -0.0676 -0.0676 0.4529 0.4529 0.7291 0.7291 0.8095 0.8095 0.8095 0.8095 8.4120 8.4120 8.4127 8.4127 8.4127 8.4127 8.8413 8.8413 12.8369 12.8369 13.0597 13.0597 13.0597 13.0597 14.7848 14.7848 14.7947 14.7947 14.7947 14.7947 15.0707 15.0707 15.0707 15.0707 15.0934 15.0934 16.6417 16.6417 k = 0.4907 0.5000 0.4907 ( 6008 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1208 -19.1208 -18.9398 -18.9398 -18.9398 -18.9398 -18.4224 -18.4224 -18.3704 -18.3704 -18.2042 -18.2042 -18.2041 -18.2041 -18.0740 -18.0740 -18.0739 -18.0739 -0.0676 -0.0676 -0.0676 -0.0676 0.4518 0.4518 0.7292 0.7292 0.8095 0.8095 0.8096 0.8096 8.4126 8.4126 8.4138 8.4138 8.4142 8.4142 8.8413 8.8413 12.8350 12.8350 13.0564 13.0564 13.0585 13.0585 14.7869 14.7869 14.7964 14.7964 14.7972 14.7972 15.0703 15.0703 15.0713 15.0713 15.0935 15.0935 16.6417 16.6418 k = 0.4815 0.5000 0.4815 ( 5982 PWs) bands (ev): -42.1680 -42.1680 -42.1679 -42.1679 -42.1678 -42.1678 -19.1202 -19.1202 -18.9398 -18.9398 -18.9396 -18.9396 -18.4221 -18.4221 -18.3704 -18.3704 -18.2044 -18.2044 -18.2042 -18.2042 -18.0744 -18.0744 -18.0741 -18.0741 -0.0676 -0.0676 -0.0676 -0.0676 0.4485 0.4485 0.7296 0.7296 0.8095 0.8095 0.8097 0.8097 8.4133 8.4133 8.4180 8.4180 8.4187 8.4187 8.8415 8.8415 12.8289 12.8289 13.0466 13.0466 13.0550 13.0550 14.7924 14.7924 14.8020 14.8020 14.8045 14.8045 15.0691 15.0691 15.0727 15.0727 15.0942 15.0942 16.6418 16.6420 k = 0.4722 0.5000 0.4722 ( 5978 PWs) bands (ev): -42.1682 -42.1682 -42.1679 -42.1679 -42.1676 -42.1676 -19.1193 -19.1193 -18.9397 -18.9397 -18.9392 -18.9392 -18.4216 -18.4216 -18.3705 -18.3705 -18.2048 -18.2048 -18.2044 -18.2044 -18.0752 -18.0752 -18.0744 -18.0744 -0.0676 -0.0676 -0.0675 -0.0675 0.4431 0.4431 0.7302 0.7302 0.8094 0.8094 0.8099 0.8099 8.4142 8.4142 8.4250 8.4250 8.4263 8.4263 8.8419 8.8419 12.8187 12.8187 13.0306 13.0306 13.0496 13.0496 14.7998 14.7998 14.8127 14.8127 14.8163 14.8163 15.0671 15.0671 15.0741 15.0741 15.0963 15.0963 16.6419 16.6423 k = 0.4630 0.5000 0.4630 ( 5970 PWs) bands (ev): -42.1684 -42.1684 -42.1679 -42.1679 -42.1674 -42.1674 -19.1180 -19.1180 -18.9396 -18.9396 -18.9388 -18.9388 -18.4209 -18.4209 -18.3707 -18.3707 -18.2054 -18.2054 -18.2046 -18.2046 -18.0762 -18.0762 -18.0748 -18.0748 -0.0676 -0.0676 -0.0674 -0.0674 0.4355 0.4355 0.7311 0.7311 0.8093 0.8093 0.8101 0.8101 8.4154 8.4154 8.4346 8.4346 8.4369 8.4369 8.8426 8.8426 12.8042 12.8042 13.0090 13.0090 13.0428 13.0428 14.8086 14.8086 14.8285 14.8285 14.8323 14.8323 15.0642 15.0642 15.0742 15.0742 15.1011 15.1011 16.6421 16.6423 k = 0.4537 0.5000 0.4537 ( 5970 PWs) bands (ev): -42.1687 -42.1687 -42.1679 -42.1679 -42.1672 -42.1672 -19.1164 -19.1164 -18.9395 -18.9395 -18.9382 -18.9382 -18.4200 -18.4200 -18.3708 -18.3708 -18.2061 -18.2061 -18.2049 -18.2049 -18.0776 -18.0776 -18.0753 -18.0753 -0.0676 -0.0676 -0.0672 -0.0672 0.4259 0.4259 0.7321 0.7321 0.8092 0.8092 0.8104 0.8104 8.4167 8.4167 8.4470 8.4470 8.4506 8.4506 8.8436 8.8436 12.7854 12.7854 12.9822 12.9822 13.0352 13.0352 14.8192 14.8192 14.8481 14.8481 14.8517 14.8517 15.0604 15.0604 15.0725 15.0725 15.1093 15.1093 16.6423 16.6427 k = 0.4444 0.5000 0.4444 ( 5966 PWs) bands (ev): -42.1690 -42.1690 -42.1679 -42.1679 -42.1669 -42.1669 -19.1144 -19.1144 -18.9393 -18.9393 -18.9375 -18.9375 -18.4190 -18.4190 -18.3710 -18.3710 -18.2069 -18.2069 -18.2053 -18.2053 -18.0792 -18.0792 -18.0760 -18.0760 -0.0676 -0.0676 -0.0671 -0.0671 0.4144 0.4144 0.7333 0.7333 0.8091 0.8091 0.8108 0.8108 8.4178 8.4178 8.4621 8.4621 8.4673 8.4673 8.8451 8.8451 12.7623 12.7623 12.9512 12.9512 13.0275 13.0275 14.8316 14.8316 14.8708 14.8708 14.8739 14.8739 15.0557 15.0557 15.0693 15.0693 15.1206 15.1206 16.6424 16.6429 k = 0.4352 0.5000 0.4352 ( 5974 PWs) bands (ev): -42.1694 -42.1694 -42.1679 -42.1679 -42.1665 -42.1665 -19.1121 -19.1121 -18.9392 -18.9392 -18.9367 -18.9367 -18.4178 -18.4178 -18.3713 -18.3713 -18.2079 -18.2079 -18.2057 -18.2057 -18.0810 -18.0810 -18.0768 -18.0768 -0.0677 -0.0677 -0.0669 -0.0669 0.4010 0.4010 0.7346 0.7346 0.8089 0.8089 0.8111 0.8111 8.4187 8.4187 8.4798 8.4798 8.4870 8.4870 8.8474 8.8474 12.7351 12.7351 12.9166 12.9166 13.0199 13.0199 14.8459 14.8459 14.8956 14.8956 14.8981 14.8981 15.0501 15.0501 15.0649 15.0649 15.1348 15.1348 16.6427 16.6446 k = 0.4259 0.5000 0.4259 ( 5982 PWs) bands (ev): -42.1698 -42.1698 -42.1679 -42.1679 -42.1660 -42.1660 -19.1095 -19.1095 -18.9390 -18.9390 -18.9357 -18.9357 -18.4163 -18.4163 -18.3716 -18.3716 -18.2091 -18.2091 -18.2062 -18.2062 -18.0831 -18.0831 -18.0777 -18.0777 -0.0677 -0.0677 -0.0668 -0.0668 0.3859 0.3859 0.7360 0.7360 0.8087 0.8087 0.8116 0.8116 8.4189 8.4189 8.5000 8.5000 8.5096 8.5096 8.8505 8.8505 12.7041 12.7041 12.8793 12.8793 13.0127 13.0127 14.8619 14.8619 14.9218 14.9218 14.9233 14.9233 15.0438 15.0438 15.0596 15.0596 15.1518 15.1518 16.6428 16.6429 k = 0.4167 0.5000 0.4167 ( 5976 PWs) bands (ev): -42.1703 -42.1703 -42.1679 -42.1679 -42.1656 -42.1656 -19.1066 -19.1066 -18.9388 -18.9388 -18.9347 -18.9347 -18.4148 -18.4148 -18.3719 -18.3719 -18.2104 -18.2104 -18.2067 -18.2067 -18.0855 -18.0855 -18.0786 -18.0786 -0.0678 -0.0678 -0.0666 -0.0666 0.3691 0.3691 0.7374 0.7374 0.8084 0.8084 0.8120 0.8120 8.4184 8.4184 8.5228 8.5228 8.5350 8.5350 8.8547 8.8547 12.6697 12.6697 12.8401 12.8401 13.0062 13.0062 14.8795 14.8795 14.9475 14.9475 14.9491 14.9491 15.0373 15.0373 15.0536 15.0536 15.1716 15.1716 16.6430 16.6430 k = 0.4074 0.5000 0.4074 ( 5976 PWs) bands (ev): -42.1709 -42.1709 -42.1680 -42.1680 -42.1650 -42.1650 -19.1034 -19.1034 -18.9385 -18.9385 -18.9335 -18.9335 -18.4130 -18.4130 -18.3723 -18.3723 -18.2119 -18.2119 -18.2074 -18.2074 -18.0880 -18.0880 -18.0797 -18.0797 -0.0680 -0.0680 -0.0664 -0.0664 0.3507 0.3507 0.7390 0.7390 0.8081 0.8081 0.8125 0.8125 8.4166 8.4166 8.5480 8.5480 8.5633 8.5633 8.8602 8.8602 12.6322 12.6322 12.8001 12.8001 13.0002 13.0002 14.8986 14.8986 14.9690 14.9690 14.9760 14.9760 15.0316 15.0316 15.0478 15.0478 15.1943 15.1943 16.6432 16.6434 k = 0.3981 0.5000 0.3981 ( 5976 PWs) bands (ev): -42.1715 -42.1715 -42.1680 -42.1680 -42.1645 -42.1645 -19.0999 -19.0999 -18.9383 -18.9383 -18.9322 -18.9322 -18.4111 -18.4111 -18.3727 -18.3727 -18.2135 -18.2135 -18.2080 -18.2080 -18.0907 -18.0907 -18.0809 -18.0809 -0.0682 -0.0682 -0.0662 -0.0662 0.3310 0.3310 0.7405 0.7405 0.8077 0.8077 0.8129 0.8129 8.4135 8.4135 8.5755 8.5755 8.5943 8.5943 8.8673 8.8673 12.5918 12.5918 12.7601 12.7601 12.9949 12.9949 14.9190 14.9190 14.9815 14.9815 15.0028 15.0028 15.0271 15.0271 15.0466 15.0466 15.2199 15.2199 16.6432 16.6434 k = 0.3889 0.5000 0.3889 ( 5984 PWs) bands (ev): -42.1722 -42.1722 -42.1680 -42.1680 -42.1638 -42.1638 -19.0962 -19.0962 -18.9381 -18.9381 -18.9307 -18.9307 -18.4090 -18.4090 -18.3731 -18.3731 -18.2152 -18.2152 -18.2088 -18.2088 -18.0936 -18.0936 -18.0822 -18.0822 -0.0685 -0.0685 -0.0659 -0.0659 0.3099 0.3099 0.7421 0.7421 0.8073 0.8073 0.8134 0.8134 8.4086 8.4086 8.6053 8.6053 8.6281 8.6281 8.8762 8.8762 12.5488 12.5488 12.7210 12.7210 12.9901 12.9901 14.9403 14.9403 14.9815 14.9815 15.0201 15.0201 15.0289 15.0289 15.0571 15.0571 15.2486 15.2486 16.6431 16.6431 k = 0.3796 0.5000 0.3796 ( 5988 PWs) bands (ev): -42.1729 -42.1729 -42.1680 -42.1680 -42.1632 -42.1632 -19.0922 -19.0922 -18.9378 -18.9378 -18.9292 -18.9292 -18.4068 -18.4068 -18.3736 -18.3736 -18.2170 -18.2170 -18.2095 -18.2095 -18.0967 -18.0967 -18.0836 -18.0836 -0.0690 -0.0690 -0.0657 -0.0657 0.2876 0.2876 0.7436 0.7436 0.8069 0.8069 0.8138 0.8138 8.4017 8.4017 8.6373 8.6373 8.6644 8.6644 8.8870 8.8870 12.5034 12.5034 12.6836 12.6836 12.9859 12.9859 14.9612 14.9612 14.9741 14.9741 15.0103 15.0103 15.0538 15.0538 15.0749 15.0749 15.2803 15.2803 16.6429 16.6430 k = 0.3704 0.5000 0.3704 ( 5996 PWs) bands (ev): -42.1736 -42.1736 -42.1680 -42.1680 -42.1624 -42.1624 -19.0881 -19.0881 -18.9375 -18.9375 -18.9275 -18.9275 -18.4044 -18.4044 -18.3741 -18.3741 -18.2190 -18.2190 -18.2104 -18.2104 -18.0999 -18.0999 -18.0851 -18.0851 -0.0696 -0.0696 -0.0655 -0.0655 0.2642 0.2642 0.7452 0.7452 0.8063 0.8063 0.8143 0.8143 8.3928 8.3928 8.6714 8.6714 8.7033 8.7033 8.8999 8.8999 12.4556 12.4556 12.6487 12.6487 12.9823 12.9823 14.9585 14.9585 14.9841 14.9841 15.0015 15.0015 15.0773 15.0773 15.0943 15.0943 15.3150 15.3150 16.6423 16.6423 k = 0.3611 0.5000 0.3611 ( 6000 PWs) bands (ev): -42.1744 -42.1744 -42.1680 -42.1680 -42.1617 -42.1617 -19.0837 -19.0837 -18.9373 -18.9373 -18.9257 -18.9257 -18.4019 -18.4019 -18.3745 -18.3745 -18.2211 -18.2211 -18.2113 -18.2113 -18.1031 -18.1031 -18.0866 -18.0866 -0.0703 -0.0703 -0.0653 -0.0653 0.2399 0.2399 0.7468 0.7468 0.8058 0.8058 0.8147 0.8147 8.3816 8.3816 8.7075 8.7075 8.7447 8.7447 8.9150 8.9150 12.4058 12.4058 12.6168 12.6168 12.9792 12.9792 14.9433 14.9433 14.9807 14.9807 15.0152 15.0152 15.0989 15.0989 15.1130 15.1130 15.3529 15.3529 16.6412 16.6413 k = 0.3519 0.5000 0.3519 ( 6000 PWs) bands (ev): -42.1752 -42.1752 -42.1680 -42.1680 -42.1609 -42.1609 -19.0793 -19.0793 -18.9370 -18.9370 -18.9238 -18.9238 -18.3994 -18.3994 -18.3750 -18.3750 -18.2233 -18.2233 -18.2122 -18.2122 -18.1065 -18.1065 -18.0882 -18.0882 -0.0714 -0.0714 -0.0651 -0.0651 0.2148 0.2148 0.7483 0.7483 0.8051 0.8051 0.8150 0.8150 8.3681 8.3681 8.7455 8.7455 8.7885 8.7885 8.9321 8.9321 12.3543 12.3543 12.5882 12.5882 12.9766 12.9766 14.9256 14.9256 14.9665 14.9665 15.0394 15.0394 15.1183 15.1183 15.1305 15.1305 15.3939 15.3939 16.6394 16.6394 k = 0.3426 0.5000 0.3426 ( 5988 PWs) bands (ev): -42.1761 -42.1761 -42.1680 -42.1680 -42.1600 -42.1600 -19.0747 -19.0747 -18.9368 -18.9368 -18.9218 -18.9218 -18.3968 -18.3968 -18.3754 -18.3754 -18.2255 -18.2255 -18.2132 -18.2132 -18.1099 -18.1099 -18.0899 -18.0899 -0.0728 -0.0728 -0.0649 -0.0649 0.1892 0.1892 0.7498 0.7498 0.8044 0.8044 0.8154 0.8154 8.3523 8.3523 8.7853 8.7853 8.8346 8.8346 8.9514 8.9514 12.3013 12.3013 12.5631 12.5631 12.9746 12.9746 14.9057 14.9057 14.9503 14.9503 15.0652 15.0652 15.1347 15.1347 15.1471 15.1471 15.4378 15.4378 16.6364 16.6364 k = 0.3333 0.5000 0.3333 ( 5972 PWs) bands (ev): -42.1770 -42.1770 -42.1681 -42.1681 -42.1592 -42.1592 -19.0700 -19.0700 -18.9365 -18.9365 -18.9197 -18.9197 -18.3943 -18.3943 -18.3757 -18.3757 -18.2279 -18.2279 -18.2143 -18.2143 -18.1134 -18.1134 -18.0916 -18.0916 -0.0746 -0.0746 -0.0647 -0.0647 0.1632 0.1632 0.7513 0.7513 0.8037 0.8037 0.8157 0.8157 8.3343 8.3343 8.8268 8.8268 8.8828 8.8828 8.9727 8.9727 12.2471 12.2471 12.5419 12.5419 12.9731 12.9731 14.8836 14.8836 14.9328 14.9328 15.0919 15.0919 15.1477 15.1477 15.1631 15.1631 15.4847 15.4847 16.6322 16.6322 k = 0.3241 0.5000 0.3241 ( 5976 PWs) bands (ev): -42.1779 -42.1779 -42.1681 -42.1681 -42.1583 -42.1583 -19.0653 -19.0653 -18.9363 -18.9363 -18.9175 -18.9175 -18.3919 -18.3919 -18.3757 -18.3757 -18.2303 -18.2303 -18.2154 -18.2154 -18.1169 -18.1169 -18.0934 -18.0934 -0.0770 -0.0770 -0.0645 -0.0645 0.1370 0.1370 0.7528 0.7528 0.8029 0.8029 0.8159 0.8159 8.3143 8.3143 8.8699 8.8699 8.9331 8.9331 8.9960 8.9960 12.1922 12.1922 12.5244 12.5244 12.9721 12.9721 14.8593 14.8593 14.9141 14.9141 15.1193 15.1193 15.1576 15.1576 15.1783 15.1783 15.5343 15.5343 16.6268 16.6268 k = 0.3148 0.5000 0.3148 ( 5980 PWs) bands (ev): -42.1789 -42.1789 -42.1681 -42.1681 -42.1574 -42.1574 -19.0606 -19.0606 -18.9360 -18.9360 -18.9151 -18.9151 -18.3899 -18.3899 -18.3753 -18.3753 -18.2327 -18.2327 -18.2165 -18.2165 -18.1204 -18.1204 -18.0952 -18.0952 -0.0803 -0.0803 -0.0644 -0.0644 0.1111 0.1111 0.7542 0.7542 0.8020 0.8020 0.8162 0.8162 8.2922 8.2922 8.9145 8.9145 8.9854 8.9854 9.0210 9.0210 12.1366 12.1366 12.5108 12.5108 12.9718 12.9718 14.8328 14.8328 14.8944 14.8944 15.1470 15.1470 15.1653 15.1653 15.1925 15.1925 15.5866 15.5866 16.6200 16.6200 k = 0.3056 0.5000 0.3056 ( 5990 PWs) bands (ev): -42.1799 -42.1799 -42.1681 -42.1681 -42.1564 -42.1564 -19.0558 -19.0558 -18.9358 -18.9358 -18.9127 -18.9127 -18.3885 -18.3885 -18.3743 -18.3743 -18.2352 -18.2352 -18.2177 -18.2177 -18.1239 -18.1239 -18.0971 -18.0971 -0.0848 -0.0848 -0.0642 -0.0642 0.0858 0.0858 0.7556 0.7556 0.8011 0.8011 0.8163 0.8163 8.2682 8.2682 8.9604 8.9604 9.0393 9.0393 9.0479 9.0479 12.0808 12.0808 12.5010 12.5010 12.9719 12.9719 14.8038 14.8038 14.8738 14.8738 15.1679 15.1679 15.1781 15.1781 15.2057 15.2057 15.6414 15.6414 16.6119 16.6119 k = 0.2963 0.5000 0.2963 ( 5990 PWs) bands (ev): -42.1809 -42.1809 -42.1681 -42.1681 -42.1555 -42.1555 -19.0511 -19.0511 -18.9356 -18.9356 -18.9102 -18.9102 -18.3877 -18.3877 -18.3726 -18.3726 -18.2377 -18.2377 -18.2189 -18.2189 -18.1274 -18.1274 -18.0989 -18.0989 -0.0909 -0.0909 -0.0641 -0.0641 0.0618 0.0618 0.7570 0.7570 0.8001 0.8001 0.8164 0.8164 8.2427 8.2427 9.0076 9.0076 9.0756 9.0756 9.0955 9.0955 12.0248 12.0248 12.4950 12.4950 12.9726 12.9726 14.7725 14.7725 14.8525 14.8525 15.1726 15.1726 15.2044 15.2044 15.2196 15.2196 15.6985 15.6985 16.6024 16.6024 k = 0.2870 0.5000 0.2870 ( 5984 PWs) bands (ev): -42.1819 -42.1819 -42.1681 -42.1681 -42.1545 -42.1545 -19.0464 -19.0464 -18.9353 -18.9353 -18.9076 -18.9076 -18.3876 -18.3876 -18.3701 -18.3701 -18.2402 -18.2402 -18.2201 -18.2201 -18.1309 -18.1309 -18.1008 -18.1008 -0.0994 -0.0994 -0.0640 -0.0640 0.0398 0.0398 0.7583 0.7583 0.7991 0.7991 0.8164 0.8164 8.2156 8.2156 9.0560 9.0560 9.1052 9.1052 9.1529 9.1529 11.9689 11.9689 12.4928 12.4928 12.9739 12.9739 14.7387 14.7387 14.8306 14.8306 15.1750 15.1750 15.2229 15.2229 15.2419 15.2419 15.7577 15.7577 16.5916 16.5916 k = 0.2778 0.5000 0.2778 ( 5980 PWs) bands (ev): -42.1829 -42.1829 -42.1682 -42.1682 -42.1535 -42.1535 -19.0419 -19.0419 -18.9351 -18.9351 -18.9049 -18.9049 -18.3880 -18.3880 -18.3672 -18.3672 -18.2426 -18.2426 -18.2213 -18.2213 -18.1344 -18.1344 -18.1026 -18.1026 -0.1109 -0.1109 -0.0639 -0.0639 0.0206 0.0206 0.7596 0.7596 0.7981 0.7981 0.8164 0.8164 8.1873 8.1873 9.1055 9.1055 9.1358 9.1358 9.2117 9.2117 11.9132 11.9132 12.4943 12.4943 12.9757 12.9757 14.7025 14.7025 14.8082 14.8082 15.1762 15.1762 15.2336 15.2336 15.2719 15.2719 15.8187 15.8187 16.5795 16.5795 k = 0.2685 0.5000 0.2685 ( 5984 PWs) bands (ev): -42.1840 -42.1840 -42.1682 -42.1682 -42.1525 -42.1525 -19.0375 -19.0375 -18.9349 -18.9349 -18.9021 -18.9021 -18.3887 -18.3887 -18.3640 -18.3640 -18.2450 -18.2450 -18.2226 -18.2226 -18.1378 -18.1378 -18.1044 -18.1044 -0.1260 -0.1260 -0.0638 -0.0638 0.0048 0.0048 0.7608 0.7608 0.7970 0.7970 0.8163 0.8163 8.1579 8.1579 9.1559 9.1559 9.1674 9.1674 9.2718 9.2718 11.8579 11.8579 12.4993 12.4993 12.9780 12.9780 14.6640 14.6640 14.7855 14.7855 15.1768 15.1768 15.2425 15.2425 15.3037 15.3037 15.8813 15.8813 16.5661 16.5661 k = 0.2593 0.5000 0.2593 ( 5984 PWs) bands (ev): -42.1850 -42.1850 -42.1682 -42.1682 -42.1515 -42.1515 -19.0332 -19.0332 -18.9346 -18.9346 -18.8993 -18.8993 -18.3896 -18.3896 -18.3605 -18.3605 -18.2474 -18.2474 -18.2239 -18.2239 -18.1412 -18.1412 -18.1061 -18.1061 -0.1446 -0.1446 -0.0638 -0.0638 -0.0074 -0.0074 0.7620 0.7620 0.7958 0.7958 0.8162 0.8162 8.1276 8.1276 9.1999 9.1999 9.2072 9.2072 9.3330 9.3330 11.8029 11.8029 12.5076 12.5076 12.9808 12.9808 14.6233 14.6233 14.7626 14.7626 15.1770 15.1770 15.2503 15.2503 15.3367 15.3367 15.9453 15.9453 16.5514 16.5514 k = 0.2500 0.5000 0.2500 ( 6004 PWs) bands (ev): -42.1861 -42.1861 -42.1682 -42.1682 -42.1504 -42.1504 -19.0292 -19.0292 -18.9343 -18.9343 -18.8964 -18.8964 -18.3907 -18.3907 -18.3569 -18.3569 -18.2497 -18.2497 -18.2252 -18.2252 -18.1446 -18.1446 -18.1078 -18.1078 -0.1663 -0.1663 -0.0638 -0.0638 -0.0166 -0.0166 0.7632 0.7632 0.7946 0.7946 0.8160 0.8160 8.0966 8.0966 9.2331 9.2331 9.2591 9.2591 9.3951 9.3951 11.7486 11.7486 12.5192 12.5192 12.9842 12.9842 14.5805 14.5805 14.7397 14.7397 15.1770 15.1770 15.2575 15.2575 15.3707 15.3707 16.0103 16.0103 16.5356 16.5356 k = 0.2407 0.5000 0.2407 ( 6004 PWs) bands (ev): -42.1871 -42.1871 -42.1682 -42.1682 -42.1494 -42.1494 -19.0253 -19.0253 -18.9340 -18.9340 -18.8934 -18.8934 -18.3918 -18.3918 -18.3531 -18.3531 -18.2519 -18.2519 -18.2265 -18.2265 -18.1480 -18.1480 -18.1094 -18.1094 -0.1901 -0.1901 -0.0638 -0.0638 -0.0233 -0.0233 0.7643 0.7643 0.7934 0.7934 0.8157 0.8157 8.0651 8.0651 9.2668 9.2668 9.3117 9.3117 9.4581 9.4581 11.6949 11.6949 12.5338 12.5338 12.9880 12.9880 14.5360 14.5360 14.7169 14.7169 15.1770 15.1770 15.2644 15.2644 15.4055 15.4055 16.0759 16.0759 16.5187 16.5187 k = 0.2315 0.5000 0.2315 ( 6002 PWs) bands (ev): -42.1882 -42.1882 -42.1682 -42.1682 -42.1484 -42.1484 -19.0217 -19.0217 -18.9337 -18.9337 -18.8904 -18.8904 -18.3931 -18.3931 -18.3493 -18.3493 -18.2541 -18.2541 -18.2277 -18.2277 -18.1513 -18.1513 -18.1110 -18.1110 -0.2154 -0.2154 -0.0639 -0.0639 -0.0284 -0.0284 0.7653 0.7653 0.7922 0.7922 0.8154 0.8154 8.0333 8.0333 9.3009 9.3009 9.3648 9.3648 9.5216 9.5216 11.6419 11.6419 12.5511 12.5511 12.9922 12.9922 14.4898 14.4898 14.6943 14.6943 15.1772 15.1772 15.2711 15.2711 15.4411 15.4411 16.1419 16.1419 16.5009 16.5009 k = 0.2222 0.5000 0.2222 ( 6000 PWs) bands (ev): -42.1892 -42.1892 -42.1683 -42.1683 -42.1474 -42.1474 -19.0183 -19.0183 -18.9333 -18.9333 -18.8874 -18.8874 -18.3943 -18.3943 -18.3455 -18.3455 -18.2561 -18.2561 -18.2290 -18.2290 -18.1547 -18.1547 -18.1124 -18.1124 -0.2415 -0.2415 -0.0640 -0.0640 -0.0322 -0.0322 0.7663 0.7663 0.7909 0.7909 0.8150 0.8150 8.0013 8.0013 9.3353 9.3353 9.4183 9.4183 9.5855 9.5855 11.5898 11.5898 12.5710 12.5710 12.9968 12.9968 14.4424 14.4424 14.6720 14.6720 15.1777 15.1777 15.2778 15.2778 15.4776 15.4776 16.2077 16.2077 16.4822 16.4822 k = 0.2130 0.5000 0.2130 ( 6000 PWs) bands (ev): -42.1903 -42.1903 -42.1683 -42.1683 -42.1464 -42.1464 -19.0153 -19.0153 -18.9329 -18.9329 -18.8844 -18.8844 -18.3956 -18.3956 -18.3416 -18.3416 -18.2581 -18.2581 -18.2302 -18.2302 -18.1580 -18.1580 -18.1137 -18.1137 -0.2680 -0.2680 -0.0641 -0.0641 -0.0352 -0.0352 0.7673 0.7673 0.7896 0.7896 0.8146 0.8146 7.9694 7.9694 9.3697 9.3697 9.4721 9.4721 9.6495 9.6495 11.5384 11.5384 12.5931 12.5931 13.0018 13.0018 14.3939 14.3939 14.6503 14.6503 15.1785 15.1785 15.2848 15.2848 15.5149 15.5149 16.2729 16.2729 16.4627 16.4627 k = 0.2037 0.5000 0.2037 ( 5992 PWs) bands (ev): -42.1913 -42.1913 -42.1683 -42.1683 -42.1454 -42.1454 -19.0125 -19.0125 -18.9324 -18.9324 -18.8814 -18.8814 -18.3969 -18.3969 -18.3377 -18.3377 -18.2601 -18.2601 -18.2314 -18.2314 -18.1613 -18.1613 -18.1148 -18.1148 -0.2945 -0.2945 -0.0643 -0.0643 -0.0376 -0.0376 0.7682 0.7682 0.7884 0.7884 0.8141 0.8141 7.9377 7.9377 9.4041 9.4041 9.5262 9.5262 9.7136 9.7136 11.4880 11.4880 12.6172 12.6172 13.0071 13.0071 14.3446 14.3446 14.6291 14.6291 15.1797 15.1797 15.2923 15.2923 15.5530 15.5530 16.3369 16.3369 16.4428 16.4428 k = 0.1944 0.5000 0.1944 ( 5996 PWs) bands (ev): -42.1923 -42.1923 -42.1683 -42.1683 -42.1445 -42.1445 -19.0100 -19.0100 -18.9318 -18.9318 -18.8784 -18.8784 -18.3982 -18.3982 -18.3339 -18.3339 -18.2619 -18.2619 -18.2326 -18.2326 -18.1646 -18.1646 -18.1158 -18.1158 -0.3208 -0.3208 -0.0645 -0.0645 -0.0396 -0.0396 0.7690 0.7690 0.7871 0.7871 0.8136 0.8136 7.9064 7.9064 9.4383 9.4383 9.5803 9.5803 9.7774 9.7774 11.4386 11.4386 12.6429 12.6429 13.0126 13.0126 14.2949 14.2949 14.6087 14.6087 15.1812 15.1812 15.3005 15.3005 15.5919 15.5919 16.3977 16.3977 16.4237 16.4237 k = 0.1852 0.5000 0.1852 ( 5992 PWs) bands (ev): -42.1933 -42.1933 -42.1683 -42.1683 -42.1435 -42.1435 -19.0079 -19.0079 -18.9312 -18.9312 -18.8754 -18.8754 -18.3995 -18.3995 -18.3300 -18.3300 -18.2637 -18.2637 -18.2337 -18.2337 -18.1679 -18.1679 -18.1167 -18.1167 -0.3467 -0.3467 -0.0648 -0.0648 -0.0412 -0.0412 0.7698 0.7698 0.7858 0.7858 0.8130 0.8130 7.8756 7.8756 9.4721 9.4721 9.6344 9.6344 9.8408 9.8408 11.3901 11.3901 12.6700 12.6700 13.0184 13.0184 14.2449 14.2449 14.5890 14.5890 15.1831 15.1831 15.3095 15.3095 15.6316 15.6316 16.3997 16.3997 16.4607 16.4607 k = 0.1759 0.5000 0.1759 ( 5992 PWs) bands (ev): -42.1942 -42.1942 -42.1684 -42.1684 -42.1426 -42.1426 -19.0060 -19.0060 -18.9304 -18.9304 -18.8724 -18.8724 -18.4007 -18.4007 -18.3262 -18.3262 -18.2655 -18.2655 -18.2347 -18.2347 -18.1712 -18.1712 -18.1174 -18.1174 -0.3721 -0.3721 -0.0651 -0.0651 -0.0426 -0.0426 0.7705 0.7705 0.7845 0.7845 0.8125 0.8125 7.8455 7.8455 9.5054 9.5054 9.6883 9.6883 9.9034 9.9034 11.3426 11.3426 12.6980 12.6980 13.0244 13.0244 14.1950 14.1950 14.5703 14.5703 15.1854 15.1854 15.3196 15.3196 15.6719 15.6719 16.3788 16.3788 16.5105 16.5105 k = 0.1667 0.5000 0.1667 ( 6020 PWs) bands (ev): -42.1952 -42.1952 -42.1684 -42.1684 -42.1417 -42.1417 -19.0044 -19.0044 -18.9297 -18.9297 -18.8696 -18.8696 -18.4019 -18.4019 -18.3224 -18.3224 -18.2672 -18.2672 -18.2357 -18.2357 -18.1746 -18.1746 -18.1180 -18.1180 -0.3967 -0.3967 -0.0655 -0.0655 -0.0438 -0.0438 0.7712 0.7712 0.7832 0.7832 0.8119 0.8119 7.8162 7.8162 9.5381 9.5381 9.7421 9.7421 9.9651 9.9651 11.2962 11.2962 12.7266 12.7266 13.0305 13.0305 14.1455 14.1455 14.5525 14.5525 15.1880 15.1880 15.3310 15.3310 15.7129 15.7129 16.3575 16.3575 16.5005 16.5005 k = 0.1574 0.5000 0.1574 ( 5996 PWs) bands (ev): -42.1961 -42.1961 -42.1684 -42.1684 -42.1408 -42.1408 -19.0032 -19.0032 -18.9288 -18.9288 -18.8668 -18.8668 -18.4030 -18.4030 -18.3186 -18.3186 -18.2688 -18.2688 -18.2366 -18.2366 -18.1779 -18.1779 -18.1184 -18.1184 -0.4206 -0.4206 -0.0659 -0.0659 -0.0448 -0.0448 0.7718 0.7718 0.7820 0.7820 0.8113 0.8113 7.7878 7.7878 9.5700 9.5700 9.7955 9.7955 10.0256 10.0256 11.2508 11.2508 12.7555 12.7555 13.0368 13.0368 14.0967 14.0967 14.5358 14.5358 15.1908 15.1908 15.3438 15.3438 15.7545 15.7545 16.3361 16.3361 16.4829 16.4829 k = 0.1481 0.5000 0.1481 ( 5996 PWs) bands (ev): -42.1969 -42.1969 -42.1684 -42.1684 -42.1400 -42.1400 -19.0021 -19.0021 -18.9279 -18.9279 -18.8640 -18.8640 -18.4040 -18.4040 -18.3149 -18.3149 -18.2704 -18.2704 -18.2375 -18.2375 -18.1813 -18.1813 -18.1186 -18.1186 -0.4435 -0.4435 -0.0664 -0.0664 -0.0457 -0.0457 0.7723 0.7723 0.7808 0.7808 0.8107 0.8107 7.7605 7.7605 9.6010 9.6010 9.8485 9.8485 10.0846 10.0846 11.2064 11.2064 12.7844 12.7844 13.0431 13.0431 14.0487 14.0487 14.5201 14.5201 15.1939 15.1939 15.3581 15.3581 15.7967 15.7967 16.3149 16.3149 16.4636 16.4636 k = 0.1389 0.5000 0.1389 ( 5992 PWs) bands (ev): -42.1977 -42.1977 -42.1684 -42.1684 -42.1392 -42.1392 -19.0014 -19.0014 -18.9270 -18.9270 -18.8614 -18.8614 -18.4050 -18.4050 -18.3112 -18.3112 -18.2720 -18.2720 -18.2383 -18.2383 -18.1846 -18.1846 -18.1187 -18.1187 -0.4654 -0.4654 -0.0669 -0.0669 -0.0465 -0.0465 0.7727 0.7727 0.7797 0.7797 0.8101 0.8101 7.7344 7.7344 9.6310 9.6310 9.9009 9.9009 10.1419 10.1419 11.1631 11.1631 12.8128 12.8128 13.0495 13.0495 14.0020 14.0020 14.5056 14.5056 15.1971 15.1971 15.3741 15.3741 15.8393 15.8393 16.2939 16.2939 16.4430 16.4430 k = 0.1296 0.5000 0.1296 ( 6004 PWs) bands (ev): -42.1985 -42.1985 -42.1684 -42.1684 -42.1384 -42.1384 -19.0008 -19.0008 -18.9260 -18.9260 -18.8590 -18.8590 -18.4058 -18.4058 -18.3075 -18.3075 -18.2736 -18.2736 -18.2390 -18.2390 -18.1880 -18.1880 -18.1187 -18.1187 -0.4863 -0.4863 -0.0674 -0.0674 -0.0471 -0.0471 0.7730 0.7730 0.7787 0.7787 0.8095 0.8095 7.7095 7.7095 9.6598 9.6598 9.9528 9.9528 10.1972 10.1972 11.1208 11.1208 12.8405 12.8405 13.0559 13.0559 13.9566 13.9566 14.4922 14.4922 15.2005 15.2005 15.3919 15.3919 15.8823 15.8823 16.2734 16.2734 16.4212 16.4212 k = 0.1204 0.5000 0.1204 ( 6008 PWs) bands (ev): -42.1993 -42.1993 -42.1684 -42.1684 -42.1377 -42.1377 -19.0005 -19.0005 -18.9250 -18.9250 -18.8566 -18.8566 -18.4066 -18.4066 -18.3039 -18.3039 -18.2751 -18.2751 -18.2396 -18.2396 -18.1913 -18.1913 -18.1185 -18.1185 -0.5060 -0.5060 -0.0679 -0.0679 -0.0477 -0.0477 0.7731 0.7731 0.7779 0.7779 0.8090 0.8090 7.6860 7.6860 9.6872 9.6872 10.0039 10.0039 10.2503 10.2503 11.0794 11.0794 12.8671 12.8671 13.0624 13.0624 13.9130 13.9130 14.4800 14.4800 15.2038 15.2038 15.4115 15.4115 15.9255 15.9255 16.2534 16.2534 16.3981 16.3981 k = 0.1111 0.5000 0.1111 ( 6004 PWs) bands (ev): -42.2000 -42.2000 -42.1685 -42.1685 -42.1370 -42.1370 -19.0003 -19.0003 -18.9240 -18.9240 -18.8544 -18.8544 -18.4073 -18.4073 -18.3004 -18.3004 -18.2765 -18.2765 -18.2402 -18.2402 -18.1946 -18.1946 -18.1183 -18.1183 -0.5244 -0.5244 -0.0684 -0.0684 -0.0482 -0.0482 0.7730 0.7730 0.7772 0.7772 0.8084 0.8084 7.6639 7.6639 9.7132 9.7132 10.0542 10.0542 10.3008 10.3008 11.0389 11.0389 12.8922 12.8922 13.0689 13.0689 13.8714 13.8714 14.4689 14.4689 15.2072 15.2072 15.4328 15.4328 15.9689 15.9689 16.2342 16.2342 16.3739 16.3739 k = 0.1019 0.5000 0.1019 ( 5998 PWs) bands (ev): -42.2006 -42.2006 -42.1685 -42.1685 -42.1364 -42.1364 -19.0002 -19.0002 -18.9231 -18.9231 -18.8523 -18.8523 -18.4079 -18.4079 -18.2969 -18.2969 -18.2779 -18.2779 -18.2408 -18.2408 -18.1979 -18.1979 -18.1180 -18.1180 -0.5417 -0.5417 -0.0690 -0.0690 -0.0486 -0.0486 0.7727 0.7727 0.7769 0.7769 0.8079 0.8079 7.6433 7.6433 9.7376 9.7376 10.1037 10.1037 10.3485 10.3485 10.9993 10.9993 12.9156 12.9156 13.0754 13.0754 13.8319 13.8319 14.4589 14.4589 15.2105 15.2105 15.4558 15.4558 16.0121 16.0121 16.2158 16.2158 16.3487 16.3487 k = 0.0926 0.5000 0.0926 ( 6004 PWs) bands (ev): -42.2012 -42.2012 -42.1685 -42.1685 -42.1358 -42.1358 -19.0002 -19.0002 -18.9221 -18.9221 -18.8504 -18.8504 -18.4084 -18.4084 -18.2935 -18.2935 -18.2792 -18.2792 -18.2413 -18.2413 -18.2012 -18.2012 -18.1176 -18.1176 -0.5576 -0.5576 -0.0695 -0.0695 -0.0490 -0.0490 0.7722 0.7722 0.7767 0.7767 0.8074 0.8074 7.6243 7.6243 9.7603 9.7603 10.1522 10.1522 10.3931 10.3931 10.9604 10.9604 12.9370 12.9370 13.0820 13.0820 13.7949 13.7949 14.4500 14.4500 15.2137 15.2137 15.4804 15.4804 16.0550 16.0550 16.1983 16.1983 16.3226 16.3226 k = 0.0833 0.5000 0.0833 ( 6000 PWs) bands (ev): -42.2018 -42.2018 -42.1685 -42.1685 -42.1353 -42.1353 -19.0004 -19.0004 -18.9212 -18.9212 -18.8486 -18.8486 -18.4089 -18.4089 -18.2902 -18.2902 -18.2805 -18.2805 -18.2418 -18.2418 -18.2043 -18.2043 -18.1172 -18.1172 -0.5721 -0.5721 -0.0700 -0.0700 -0.0493 -0.0493 0.7715 0.7715 0.7767 0.7767 0.8070 0.8070 7.6069 7.6069 9.7813 9.7813 10.1996 10.1996 10.4344 10.4344 10.9223 10.9223 12.9562 12.9562 13.0887 13.0887 13.7606 13.7606 14.4422 14.4422 15.2167 15.2167 15.5063 15.5063 16.0973 16.0973 16.1820 16.1820 16.2959 16.2959 k = 0.0741 0.5000 0.0741 ( 6000 PWs) bands (ev): -42.2023 -42.2023 -42.1685 -42.1685 -42.1348 -42.1348 -19.0005 -19.0005 -18.9204 -18.9204 -18.8471 -18.8471 -18.4092 -18.4092 -18.2871 -18.2871 -18.2816 -18.2816 -18.2422 -18.2422 -18.2074 -18.2074 -18.1167 -18.1167 -0.5852 -0.5852 -0.0705 -0.0705 -0.0496 -0.0496 0.7709 0.7709 0.7767 0.7767 0.8066 0.8066 7.5913 7.5913 9.8003 9.8003 10.2460 10.2460 10.4721 10.4721 10.8847 10.8847 12.9731 12.9731 13.0954 13.0954 13.7292 13.7292 14.4354 14.4354 15.2195 15.2195 15.5332 15.5332 16.1384 16.1384 16.1670 16.1670 16.2689 16.2689 k = 0.0648 0.5000 0.0648 ( 6004 PWs) bands (ev): -42.2027 -42.2027 -42.1685 -42.1685 -42.1343 -42.1343 -19.0008 -19.0008 -18.9197 -18.9197 -18.8457 -18.8457 -18.4095 -18.4095 -18.2843 -18.2843 -18.2824 -18.2824 -18.2427 -18.2427 -18.2103 -18.2103 -18.1163 -18.1163 -0.5968 -0.5968 -0.0709 -0.0709 -0.0498 -0.0498 0.7702 0.7702 0.7768 0.7768 0.8063 0.8063 7.5773 7.5773 9.8174 9.8174 10.2913 10.2913 10.5061 10.5061 10.8476 10.8476 12.9875 12.9875 13.1020 13.1020 13.7009 13.7009 14.4296 14.4296 15.2221 15.2221 15.5606 15.5606 16.1528 16.1528 16.1784 16.1784 16.2419 16.2419 k = 0.0556 0.5000 0.0556 ( 6008 PWs) bands (ev): -42.2031 -42.2031 -42.1685 -42.1685 -42.1340 -42.1340 -19.0010 -19.0010 -18.9190 -18.9190 -18.8444 -18.8444 -18.4097 -18.4097 -18.2839 -18.2839 -18.2808 -18.2808 -18.2431 -18.2431 -18.2130 -18.2130 -18.1158 -18.1158 -0.6070 -0.6070 -0.0713 -0.0713 -0.0500 -0.0500 0.7696 0.7696 0.7768 0.7768 0.8059 0.8059 7.5652 7.5652 9.8323 9.8323 10.3354 10.3354 10.5359 10.5359 10.8110 10.8110 12.9995 12.9995 13.1084 13.1084 13.6759 13.6759 14.4247 14.4247 15.2243 15.2243 15.5881 15.5881 16.1403 16.1403 16.2137 16.2137 16.2174 16.2174 k = 0.0463 0.5000 0.0463 ( 6002 PWs) bands (ev): -42.2034 -42.2034 -42.1685 -42.1685 -42.1336 -42.1336 -19.0012 -19.0012 -18.9184 -18.9184 -18.8434 -18.8434 -18.4099 -18.4099 -18.2847 -18.2847 -18.2783 -18.2783 -18.2435 -18.2435 -18.2155 -18.2155 -18.1154 -18.1154 -0.6157 -0.6157 -0.0717 -0.0717 -0.0501 -0.0501 0.7691 0.7691 0.7769 0.7769 0.8057 0.8057 7.5549 7.5549 9.8451 9.8451 10.3783 10.3783 10.5616 10.5616 10.7747 10.7747 13.0092 13.0092 13.1144 13.1144 13.6545 13.6545 14.4207 14.4207 15.2263 15.2263 15.6147 15.6147 16.1290 16.1290 16.1903 16.1903 16.2502 16.2502 k = 0.0370 0.5000 0.0370 ( 5994 PWs) bands (ev): -42.2037 -42.2037 -42.1685 -42.1685 -42.1334 -42.1334 -19.0014 -19.0014 -18.9179 -18.9179 -18.8425 -18.8425 -18.4101 -18.4101 -18.2853 -18.2853 -18.2759 -18.2759 -18.2438 -18.2438 -18.2177 -18.2177 -18.1151 -18.1151 -0.6228 -0.6228 -0.0720 -0.0720 -0.0503 -0.0503 0.7686 0.7686 0.7770 0.7770 0.8055 0.8055 7.5464 7.5464 9.8557 9.8557 10.4198 10.4198 10.5828 10.5828 10.7387 10.7387 13.0168 13.0168 13.1197 13.1197 13.6367 13.6367 14.4175 14.4175 15.2279 15.2279 15.6396 15.6396 16.1187 16.1187 16.1679 16.1679 16.2807 16.2807 k = 0.0278 0.5000 0.0278 ( 5994 PWs) bands (ev): -42.2039 -42.2039 -42.1685 -42.1685 -42.1332 -42.1332 -19.0016 -19.0016 -18.9175 -18.9175 -18.8419 -18.8419 -18.4102 -18.4102 -18.2859 -18.2859 -18.2739 -18.2739 -18.2442 -18.2442 -18.2195 -18.2195 -18.1148 -18.1148 -0.6283 -0.6283 -0.0722 -0.0722 -0.0503 -0.0503 0.7683 0.7683 0.7770 0.7770 0.8053 0.8053 7.5397 7.5397 9.8640 9.8640 10.4599 10.4599 10.5994 10.5994 10.7032 10.7032 13.0224 13.0224 13.1242 13.1242 13.6227 13.6227 14.4150 14.4150 15.2292 15.2292 15.6615 15.6615 16.1092 16.1092 16.1495 16.1495 16.3060 16.3060 k = 0.0185 0.5000 0.0185 ( 5978 PWs) bands (ev): -42.2041 -42.2041 -42.1685 -42.1685 -42.1330 -42.1330 -19.0017 -19.0017 -18.9172 -18.9172 -18.8414 -18.8414 -18.4102 -18.4102 -18.2863 -18.2863 -18.2723 -18.2723 -18.2445 -18.2445 -18.2209 -18.2209 -18.1146 -18.1146 -0.6323 -0.6323 -0.0724 -0.0724 -0.0504 -0.0504 0.7680 0.7680 0.7770 0.7770 0.8052 0.8052 7.5350 7.5350 9.8699 9.8699 10.4977 10.4977 10.6111 10.6111 10.6688 10.6688 13.0263 13.0263 13.1275 13.1275 13.6126 13.6126 14.4133 14.4133 15.2301 15.2301 15.6789 15.6789 16.1006 16.1006 16.1364 16.1364 16.3253 16.3253 k = 0.0093 0.5000 0.0093 ( 5958 PWs) bands (ev): -42.2042 -42.2042 -42.1685 -42.1685 -42.1329 -42.1329 -19.0018 -19.0018 -18.9171 -18.9171 -18.8411 -18.8411 -18.4103 -18.4103 -18.2865 -18.2865 -18.2713 -18.2713 -18.2447 -18.2447 -18.2217 -18.2217 -18.1145 -18.1145 -0.6347 -0.6347 -0.0725 -0.0725 -0.0504 -0.0504 0.7679 0.7679 0.7771 0.7771 0.8051 0.8051 7.5321 7.5321 9.8735 9.8735 10.5310 10.5310 10.6172 10.6172 10.6387 10.6387 13.0286 13.0286 13.1296 13.1296 13.6065 13.6065 14.4123 14.4123 15.2307 15.2307 15.6901 15.6901 16.0941 16.0941 16.1290 16.1290 16.3373 16.3373 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -42.2042 -42.2042 -42.1685 -42.1685 -42.1329 -42.1329 -19.0018 -19.0018 -18.9170 -18.9170 -18.8410 -18.8410 -18.4103 -18.4103 -18.2866 -18.2866 -18.2710 -18.2710 -18.2448 -18.2448 -18.2220 -18.2220 -18.1144 -18.1144 -0.6355 -0.6355 -0.0725 -0.0725 -0.0504 -0.0504 0.7678 0.7678 0.7771 0.7771 0.8051 0.8051 7.5312 7.5312 9.8747 9.8747 10.5480 10.5480 10.6147 10.6147 10.6273 10.6273 13.0294 13.0294 13.1303 13.1303 13.6045 13.6045 14.4120 14.4120 15.2309 15.2309 15.6941 15.6941 16.0916 16.0916 16.1267 16.1267 16.3413 16.3413 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9906 -18.9906 -18.9277 -18.9277 -18.9129 -18.9129 -18.3828 -18.3828 -18.3328 -18.3328 -18.2719 -18.2719 -18.2533 -18.2533 -18.1402 -18.1402 -18.1281 -18.1281 -0.1737 -0.1737 -0.0571 -0.0571 0.0160 0.0160 0.7767 0.7767 0.7917 0.7917 0.8319 0.8319 8.5147 8.5147 8.5195 8.5195 8.8892 8.8892 10.1419 10.1419 11.8856 11.8856 11.9897 11.9897 13.0231 13.0231 14.9154 14.9154 14.9244 14.9244 14.9425 14.9425 14.9667 14.9667 15.9646 15.9646 15.9701 15.9701 16.6357 16.6357 k = 0.5000 0.5000 0.0132 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9909 -18.9909 -18.9277 -18.9277 -18.9129 -18.9129 -18.3828 -18.3828 -18.3331 -18.3331 -18.2717 -18.2717 -18.2530 -18.2530 -18.1401 -18.1401 -18.1281 -18.1281 -0.1731 -0.1731 -0.0571 -0.0571 0.0162 0.0162 0.7766 0.7766 0.7917 0.7917 0.8318 0.8318 8.5146 8.5146 8.5193 8.5193 8.8891 8.8891 10.1386 10.1386 11.8866 11.8866 11.9908 11.9908 13.0231 13.0231 14.9146 14.9146 14.9241 14.9241 14.9443 14.9443 14.9680 14.9680 15.9607 15.9607 15.9658 15.9658 16.6400 16.6400 k = 0.5000 0.5000 0.0263 ( 6032 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9918 -18.9918 -18.9278 -18.9278 -18.9130 -18.9130 -18.3828 -18.3828 -18.3340 -18.3340 -18.2712 -18.2712 -18.2522 -18.2522 -18.1399 -18.1399 -18.1278 -18.1278 -0.1713 -0.1713 -0.0572 -0.0572 0.0168 0.0168 0.7764 0.7764 0.7918 0.7918 0.8317 0.8317 8.5142 8.5142 8.5189 8.5189 8.8888 8.8888 10.1287 10.1287 11.8896 11.8896 11.9939 11.9939 13.0232 13.0232 14.9129 14.9129 14.9235 14.9235 14.9492 14.9492 14.9718 14.9718 15.9491 15.9491 15.9529 15.9529 16.6463 16.6463 k = 0.5000 0.5000 0.0395 ( 6016 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9932 -18.9932 -18.9278 -18.9278 -18.9130 -18.9130 -18.3827 -18.3827 -18.3356 -18.3356 -18.2704 -18.2704 -18.2510 -18.2510 -18.1394 -18.1394 -18.1274 -18.1274 -0.1684 -0.1684 -0.0572 -0.0572 0.0180 0.0180 0.7761 0.7761 0.7919 0.7919 0.8316 0.8316 8.5136 8.5136 8.5182 8.5182 8.8883 8.8883 10.1123 10.1123 11.8946 11.8946 11.9992 11.9992 13.0234 13.0234 14.9111 14.9111 14.9228 14.9228 14.9563 14.9563 14.9776 14.9776 15.9308 15.9308 15.9322 15.9322 16.6462 16.6462 k = 0.5000 0.5000 0.0526 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9952 -18.9952 -18.9280 -18.9280 -18.9131 -18.9131 -18.3825 -18.3825 -18.3376 -18.3376 -18.2693 -18.2693 -18.2494 -18.2494 -18.1387 -18.1387 -18.1268 -18.1268 -0.1645 -0.1645 -0.0573 -0.0573 0.0197 0.0197 0.7756 0.7756 0.7921 0.7921 0.8314 0.8314 8.5127 8.5127 8.5172 8.5172 8.8876 8.8876 10.0897 10.0897 11.9015 11.9015 12.0066 12.0066 13.0237 13.0237 14.9097 14.9097 14.9224 14.9224 14.9649 14.9649 14.9851 14.9851 15.9045 15.9045 15.9070 15.9070 16.6462 16.6462 k = 0.5000 0.5000 0.0658 ( 6024 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -18.9977 -18.9977 -18.9282 -18.9282 -18.9132 -18.9132 -18.3824 -18.3824 -18.3400 -18.3400 -18.2679 -18.2679 -18.2475 -18.2475 -18.1378 -18.1378 -18.1260 -18.1260 -0.1596 -0.1596 -0.0575 -0.0575 0.0219 0.0219 0.7750 0.7750 0.7923 0.7923 0.8311 0.8311 8.5115 8.5115 8.5159 8.5159 8.8867 8.8867 10.0609 10.0609 11.9106 11.9106 12.0161 12.0161 13.0240 13.0240 14.9090 14.9090 14.9225 14.9225 14.9746 14.9746 14.9940 14.9940 15.8707 15.8707 15.8787 15.8787 16.6461 16.6461 k = 0.5000 0.5000 0.0789 ( 6004 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -19.0006 -19.0006 -18.9284 -18.9284 -18.9134 -18.9134 -18.3821 -18.3821 -18.3429 -18.3429 -18.2662 -18.2662 -18.2454 -18.2454 -18.1367 -18.1367 -18.1251 -18.1251 -0.1538 -0.1538 -0.0576 -0.0576 0.0249 0.0249 0.7743 0.7743 0.7926 0.7926 0.8307 0.8307 8.5100 8.5100 8.5143 8.5143 8.8856 8.8856 10.0264 10.0264 11.9216 11.9216 12.0278 12.0278 13.0244 13.0244 14.9091 14.9091 14.9232 14.9232 14.9853 14.9853 15.0038 15.0038 15.8320 15.8320 15.8471 15.8471 16.6460 16.6461 k = 0.5000 0.5000 0.0921 ( 5996 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -19.0040 -19.0040 -18.9286 -18.9286 -18.9137 -18.9137 -18.3819 -18.3819 -18.3460 -18.3460 -18.2643 -18.2643 -18.2430 -18.2430 -18.1355 -18.1355 -18.1241 -18.1241 -0.1473 -0.1473 -0.0578 -0.0578 0.0286 0.0286 0.7735 0.7735 0.7929 0.7929 0.8303 0.8303 8.5083 8.5083 8.5125 8.5125 8.8844 8.8844 9.9863 9.9863 11.9348 11.9348 12.0416 12.0416 13.0248 13.0248 14.9100 14.9100 14.9247 14.9247 14.9967 14.9967 15.0144 15.0144 15.7894 15.7894 15.8131 15.8131 16.6459 16.6459 k = 0.5000 0.5000 0.1053 ( 5996 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1682 -42.1682 -19.0077 -19.0077 -18.9289 -18.9289 -18.9140 -18.9140 -18.3816 -18.3816 -18.3493 -18.3493 -18.2622 -18.2622 -18.2406 -18.2406 -18.1340 -18.1340 -18.1228 -18.1228 -0.1403 -0.1403 -0.0580 -0.0580 0.0332 0.0332 0.7726 0.7726 0.7933 0.7933 0.8299 0.8299 8.5064 8.5064 8.5103 8.5103 8.8830 8.8830 9.9412 9.9412 11.9500 11.9500 12.0576 12.0576 13.0252 13.0252 14.9117 14.9117 14.9269 14.9269 15.0086 15.0086 15.0255 15.0255 15.7438 15.7438 15.7776 15.7776 16.6458 16.6459 k = 0.5000 0.5000 0.1184 ( 5996 PWs) bands (ev): -42.1684 -42.1684 -42.1682 -42.1682 -42.1681 -42.1681 -19.0118 -19.0118 -18.9292 -18.9292 -18.9145 -18.9145 -18.3813 -18.3813 -18.3528 -18.3528 -18.2599 -18.2599 -18.2381 -18.2381 -18.1324 -18.1324 -18.1214 -18.1214 -0.1330 -0.1330 -0.0582 -0.0582 0.0389 0.0389 0.7715 0.7715 0.7937 0.7937 0.8294 0.8294 8.5041 8.5041 8.5079 8.5079 8.8815 8.8815 9.8913 9.8913 11.9673 11.9673 12.0759 12.0759 13.0255 13.0255 14.9142 14.9142 14.9297 14.9297 15.0208 15.0208 15.0369 15.0369 15.6961 15.6961 15.7409 15.7409 16.6457 16.6457 k = 0.5000 0.5000 0.1316 ( 6008 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0162 -19.0162 -18.9296 -18.9296 -18.9150 -18.9150 -18.3809 -18.3809 -18.3565 -18.3565 -18.2574 -18.2574 -18.2356 -18.2356 -18.1306 -18.1306 -18.1199 -18.1199 -0.1255 -0.1255 -0.0585 -0.0585 0.0458 0.0458 0.7703 0.7703 0.7941 0.7941 0.8288 0.8288 8.5016 8.5016 8.5052 8.5052 8.8799 8.8799 9.8372 9.8372 11.9867 11.9867 12.0963 12.0963 13.0259 13.0259 14.9173 14.9173 14.9333 14.9333 15.0331 15.0331 15.0484 15.0484 15.6470 15.6470 15.7038 15.7038 16.6456 16.6456 k = 0.5000 0.5000 0.1447 ( 6008 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0209 -19.0209 -18.9299 -18.9299 -18.9157 -18.9157 -18.3805 -18.3805 -18.3602 -18.3602 -18.2548 -18.2548 -18.2332 -18.2332 -18.1287 -18.1287 -18.1182 -18.1182 -0.1182 -0.1182 -0.0588 -0.0588 0.0540 0.0540 0.7691 0.7691 0.7946 0.7946 0.8282 0.8282 8.4989 8.4989 8.5023 8.5023 8.8782 8.8782 9.7793 9.7793 12.0082 12.0082 12.1190 12.1190 13.0262 13.0262 14.9212 14.9212 14.9374 14.9374 15.0452 15.0452 15.0596 15.0596 15.5970 15.5970 15.6664 15.6664 16.6454 16.6454 k = 0.5000 0.5000 0.1579 ( 6004 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0257 -19.0257 -18.9303 -18.9303 -18.9164 -18.9164 -18.3801 -18.3801 -18.3639 -18.3639 -18.2521 -18.2521 -18.2308 -18.2308 -18.1266 -18.1266 -18.1164 -18.1164 -0.1112 -0.1112 -0.0591 -0.0591 0.0637 0.0637 0.7677 0.7677 0.7952 0.7952 0.8276 0.8276 8.4959 8.4959 8.4991 8.4991 8.8763 8.8763 9.7181 9.7181 12.0318 12.0318 12.1439 12.1439 13.0264 13.0264 14.9256 14.9256 14.9422 14.9422 15.0568 15.0568 15.0704 15.0704 15.5467 15.5467 15.6291 15.6291 16.6453 16.6453 k = 0.5000 0.5000 0.1711 ( 5996 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0308 -19.0308 -18.9308 -18.9308 -18.9172 -18.9172 -18.3796 -18.3796 -18.3677 -18.3677 -18.2493 -18.2493 -18.2285 -18.2285 -18.1244 -18.1244 -18.1145 -18.1145 -0.1047 -0.1047 -0.0594 -0.0594 0.0750 0.0750 0.7663 0.7663 0.7957 0.7957 0.8269 0.8269 8.4927 8.4927 8.4956 8.4956 8.8744 8.8744 9.6540 9.6540 12.0575 12.0575 12.1710 12.1710 13.0265 13.0265 14.9305 14.9305 14.9475 14.9475 15.0677 15.0677 15.0804 15.0804 15.4966 15.4966 15.5923 15.5923 16.6451 16.6451 k = 0.5000 0.5000 0.1842 ( 6004 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0359 -19.0359 -18.9312 -18.9312 -18.9181 -18.9181 -18.3792 -18.3792 -18.3714 -18.3714 -18.2464 -18.2464 -18.2262 -18.2262 -18.1220 -18.1220 -18.1125 -18.1125 -0.0988 -0.0988 -0.0598 -0.0598 0.0878 0.0878 0.7647 0.7647 0.7964 0.7964 0.8262 0.8262 8.4893 8.4893 8.4919 8.4919 8.8725 8.8725 9.5876 9.5876 12.0853 12.0853 12.2003 12.2003 13.0266 13.0266 14.9360 14.9360 14.9532 14.9532 15.0776 15.0776 15.0893 15.0893 15.4469 15.4469 15.5559 15.5559 16.6449 16.6449 k = 0.5000 0.5000 0.1974 ( 6000 PWs) bands (ev): -42.1683 -42.1683 -42.1681 -42.1681 -42.1681 -42.1681 -19.0412 -19.0412 -18.9317 -18.9317 -18.9191 -18.9191 -18.3787 -18.3787 -18.3751 -18.3751 -18.2436 -18.2436 -18.2241 -18.2241 -18.1195 -18.1195 -18.1104 -18.1104 -0.0936 -0.0936 -0.0602 -0.0602 0.1022 0.1022 0.7631 0.7631 0.7970 0.7970 0.8255 0.8255 8.4856 8.4856 8.4881 8.4881 8.8705 8.8705 9.5193 9.5193 12.1152 12.1152 12.2317 12.2317 13.0265 13.0265 14.9418 14.9418 14.9594 14.9594 15.0862 15.0862 15.0968 15.0968 15.3981 15.3981 15.5203 15.5203 16.6447 16.6448 k = 0.5000 0.5000 0.2105 ( 6000 PWs) bands (ev): -42.1682 -42.1682 -42.1681 -42.1681 -42.1681 -42.1681 -19.0465 -19.0465 -18.9321 -18.9321 -18.9202 -18.9202 -18.3787 -18.3787 -18.3781 -18.3781 -18.2407 -18.2407 -18.2221 -18.2221 -18.1169 -18.1169 -18.1082 -18.1082 -0.0890 -0.0890 -0.0606 -0.0606 0.1181 0.1181 0.7614 0.7614 0.7977 0.7977 0.8247 0.8247 8.4818 8.4818 8.4840 8.4840 8.8684 8.8684 9.4496 9.4496 12.1469 12.1469 12.2653 12.2653 13.0263 13.0263 14.9479 14.9479 14.9658 14.9658 15.0932 15.0932 15.1027 15.1027 15.3503 15.3503 15.4856 15.4856 16.6446 16.6446 k = 0.5000 0.5000 0.2237 ( 6000 PWs) bands (ev): -42.1682 -42.1682 -42.1681 -42.1681 -42.1681 -42.1681 -19.0518 -19.0518 -18.9326 -18.9326 -18.9213 -18.9213 -18.3823 -18.3823 -18.3776 -18.3776 -18.2378 -18.2378 -18.2203 -18.2203 -18.1143 -18.1143 -18.1060 -18.1060 -0.0852 -0.0852 -0.0610 -0.0610 0.1353 0.1353 0.7597 0.7597 0.7984 0.7984 0.8239 0.8239 8.4778 8.4778 8.4798 8.4798 8.8664 8.8664 9.3791 9.3791 12.1806 12.1806 12.3008 12.3008 13.0259 13.0259 14.9542 14.9542 14.9726 14.9726 15.0984 15.0984 15.1066 15.1066 15.3039 15.3039 15.4518 15.4518 16.6444 16.6444 k = 0.5000 0.5000 0.2368 ( 5992 PWs) bands (ev): -42.1682 -42.1682 -42.1681 -42.1681 -42.1681 -42.1681 -19.0572 -19.0572 -18.9331 -18.9331 -18.9225 -18.9225 -18.3857 -18.3857 -18.3771 -18.3771 -18.2350 -18.2350 -18.2185 -18.2185 -18.1116 -18.1116 -18.1037 -18.1037 -0.0819 -0.0819 -0.0614 -0.0614 0.1535 0.1535 0.7579 0.7579 0.7991 0.7991 0.8231 0.8231 8.4737 8.4737 8.4755 8.4755 8.8644 8.8644 9.3082 9.3082 12.2161 12.2161 12.3384 12.3384 13.0255 13.0255 14.9607 14.9607 14.9795 14.9795 15.1014 15.1014 15.1084 15.1084 15.2589 15.2589 15.4192 15.4192 16.6442 16.6442 k = 0.5000 0.5000 0.2500 ( 5972 PWs) bands (ev): -42.1682 -42.1682 -42.1680 -42.1680 -42.1680 -42.1680 -19.0624 -19.0624 -18.9336 -18.9336 -18.9237 -18.9237 -18.3891 -18.3891 -18.3766 -18.3766 -18.2323 -18.2323 -18.2169 -18.2169 -18.1088 -18.1088 -18.1014 -18.1014 -0.0791 -0.0791 -0.0618 -0.0618 0.1728 0.1728 0.7561 0.7561 0.7998 0.7998 0.8223 0.8223 8.4695 8.4695 8.4710 8.4710 8.8624 8.8624 9.2373 9.2373 12.2532 12.2532 12.3777 12.3777 13.0250 13.0250 14.9673 14.9673 14.9865 14.9865 15.1020 15.1020 15.1078 15.1078 15.2157 15.2157 15.3877 15.3877 16.6440 16.6440 k = 0.5000 0.5000 0.2632 ( 5980 PWs) bands (ev): -42.1681 -42.1681 -42.1680 -42.1680 -42.1680 -42.1680 -19.0676 -19.0676 -18.9341 -18.9341 -18.9250 -18.9250 -18.3923 -18.3923 -18.3760 -18.3760 -18.2296 -18.2296 -18.2154 -18.2154 -18.1060 -18.1060 -18.0991 -18.0991 -0.0769 -0.0769 -0.0622 -0.0622 0.1927 0.1927 0.7543 0.7543 0.8006 0.8006 0.8215 0.8215 8.4652 8.4652 8.4665 8.4665 8.8604 8.8604 9.1670 9.1670 12.2919 12.2919 12.4188 12.4188 13.0244 13.0244 14.9737 14.9737 14.9935 14.9935 15.0999 15.0999 15.1046 15.1046 15.1744 15.1744 15.3575 15.3575 16.6438 16.6438 k = 0.5000 0.5000 0.2763 ( 5980 PWs) bands (ev): -42.1681 -42.1681 -42.1680 -42.1680 -42.1680 -42.1680 -19.0727 -19.0727 -18.9346 -18.9346 -18.9262 -18.9262 -18.3954 -18.3954 -18.3755 -18.3755 -18.2270 -18.2270 -18.2140 -18.2140 -18.1032 -18.1032 -18.0969 -18.0969 -0.0750 -0.0750 -0.0627 -0.0627 0.2131 0.2131 0.7524 0.7524 0.8013 0.8013 0.8206 0.8206 8.4608 8.4608 8.4620 8.4620 8.8585 8.8585 9.0976 9.0976 12.3318 12.3318 12.4613 12.4613 13.0238 13.0238 14.9799 14.9799 15.0003 15.0003 15.0947 15.0947 15.0988 15.0988 15.1357 15.1357 15.3286 15.3286 16.6436 16.6437 k = 0.5000 0.5000 0.2895 ( 5988 PWs) bands (ev): -42.1681 -42.1681 -42.1680 -42.1680 -42.1680 -42.1680 -19.0776 -19.0776 -18.9351 -18.9351 -18.9275 -18.9275 -18.3984 -18.3984 -18.3750 -18.3750 -18.2245 -18.2245 -18.2128 -18.2128 -18.1004 -18.1004 -18.0946 -18.0946 -0.0734 -0.0734 -0.0631 -0.0631 0.2339 0.2339 0.7505 0.7505 0.8021 0.8021 0.8198 0.8198 8.4565 8.4565 8.4574 8.4574 8.8567 8.8567 9.0296 9.0296 12.3729 12.3729 12.5052 12.5052 13.0231 13.0231 14.9856 14.9856 15.0068 15.0068 15.0829 15.0829 15.0904 15.0904 15.1030 15.1030 15.3011 15.3011 16.6434 16.6434 k = 0.5000 0.5000 0.3026 ( 6000 PWs) bands (ev): -42.1681 -42.1681 -42.1680 -42.1680 -42.1680 -42.1680 -19.0824 -19.0824 -18.9356 -18.9356 -18.9287 -18.9287 -18.4012 -18.4012 -18.3745 -18.3745 -18.2222 -18.2222 -18.2116 -18.2116 -18.0977 -18.0977 -18.0924 -18.0924 -0.0722 -0.0722 -0.0636 -0.0636 0.2547 0.2547 0.7486 0.7486 0.8028 0.8028 0.8189 0.8189 8.4521 8.4521 8.4529 8.4529 8.8549 8.8549 8.9635 8.9635 12.4148 12.4148 12.5503 12.5503 13.0225 13.0225 14.9904 14.9904 15.0125 15.0125 15.0557 15.0557 15.0798 15.0798 15.0855 15.0855 15.2750 15.2750 16.6432 16.6433 k = 0.5000 0.5000 0.3158 ( 5996 PWs) bands (ev): -42.1681 -42.1681 -42.1680 -42.1680 -42.1680 -42.1680 -19.0870 -19.0870 -18.9361 -18.9361 -18.9300 -18.9300 -18.4038 -18.4038 -18.3740 -18.3740 -18.2199 -18.2199 -18.2105 -18.2105 -18.0950 -18.0950 -18.0903 -18.0903 -0.0712 -0.0712 -0.0640 -0.0640 0.2754 0.2754 0.7468 0.7468 0.8035 0.8035 0.8180 0.8180 8.4478 8.4478 8.4484 8.4484 8.8532 8.8532 8.8995 8.8995 12.4572 12.4572 12.5961 12.5961 13.0221 13.0221 14.9935 14.9935 15.0166 15.0166 15.0236 15.0236 15.0678 15.0678 15.0737 15.0737 15.2505 15.2505 16.6431 16.6431 k = 0.5000 0.5000 0.3289 ( 5988 PWs) bands (ev): -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -19.0914 -19.0914 -18.9365 -18.9365 -18.9312 -18.9312 -18.4063 -18.4063 -18.3735 -18.3735 -18.2178 -18.2178 -18.2096 -18.2096 -18.0924 -18.0924 -18.0882 -18.0882 -0.0704 -0.0704 -0.0644 -0.0644 0.2959 0.2959 0.7449 0.7449 0.8042 0.8042 0.8171 0.8171 8.4437 8.4437 8.4441 8.4441 8.8382 8.8382 8.8516 8.8516 12.4997 12.4997 12.6425 12.6425 13.0218 13.0218 14.9910 14.9910 14.9951 14.9951 15.0164 15.0164 15.0572 15.0572 15.0629 15.0629 15.2275 15.2275 16.6429 16.6429 k = 0.5000 0.5000 0.3421 ( 5988 PWs) bands (ev): -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -19.0955 -19.0955 -18.9370 -18.9370 -18.9323 -18.9323 -18.4087 -18.4087 -18.3731 -18.3731 -18.2158 -18.2158 -18.2087 -18.2087 -18.0899 -18.0899 -18.0862 -18.0862 -0.0697 -0.0697 -0.0649 -0.0649 0.3158 0.3158 0.7431 0.7431 0.8049 0.8049 0.8162 0.8162 8.4396 8.4396 8.4399 8.4399 8.7798 8.7798 8.8501 8.8501 12.5420 12.5420 12.6891 12.6891 13.0218 13.0218 14.9630 14.9630 14.9890 14.9890 15.0077 15.0077 15.0524 15.0524 15.0547 15.0547 15.2060 15.2060 16.6427 16.6445 k = 0.5000 0.5000 0.3553 ( 5988 PWs) bands (ev): -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -42.1680 -19.0994 -19.0994 -18.9374 -18.9374 -18.9334 -18.9334 -18.4108 -18.4108 -18.3727 -18.3727 -18.2140 -18.2140 -18.2079 -18.2079 -18.0876 -18.0876 -18.0844 -18.0844 -0.0692 -0.0692 -0.0653 -0.0653 0.3350 0.3350 0.7413 0.7413 0.8056 0.8056 0.8154 0.8154 8.4357 8.4357 8.4359 8.4359 8.7247 8.7247 8.8487 8.8487 12.5836 12.5836 12.7354 12.7354 13.0223 13.0223 14.9359 14.9359 14.9774 14.9774 14.9908 14.9908 15.0507 15.0507 15.0534 15.0534 15.1862 15.1862 16.6426 16.6427 k = 0.5000 0.5000 0.3684 ( 5980 PWs) bands (ev): -42.1680 -42.1680 -42.1679 -42.1679 -42.1679 -42.1679 -19.1030 -19.1030 -18.9378 -18.9378 -18.9344 -18.9344 -18.4128 -18.4128 -18.3723 -18.3723 -18.2123 -18.2123 -18.2072 -18.2072 -18.0853 -18.0853 -18.0826 -18.0826 -0.0688 -0.0688 -0.0656 -0.0656 0.3534 0.3534 0.7395 0.7395 0.8062 0.8062 0.8145 0.8145 8.4321 8.4321 8.4321 8.4321 8.6732 8.6732 8.8475 8.8475 12.6238 12.6238 12.7810 12.7810 13.0233 13.0233 14.9110 14.9110 14.9601 14.9601 14.9695 14.9695 15.0504 15.0504 15.0568 15.0568 15.1681 15.1681 16.6424 16.6426 k = 0.5000 0.5000 0.3816 ( 5980 PWs) bands (ev): -42.1680 -42.1680 -42.1679 -42.1679 -42.1679 -42.1679 -19.1063 -19.1063 -18.9382 -18.9382 -18.9354 -18.9354 -18.4146 -18.4146 -18.3719 -18.3719 -18.2108 -18.2108 -18.2066 -18.2066 -18.0833 -18.0833 -18.0810 -18.0810 -0.0685 -0.0685 -0.0660 -0.0660 0.3707 0.3707 0.7379 0.7379 0.8068 0.8068 0.8137 0.8137 8.4286 8.4286 8.4286 8.4286 8.6257 8.6257 8.8463 8.8463 12.6622 12.6622 12.8253 12.8253 13.0250 13.0250 14.8884 14.8884 14.9390 14.9390 14.9459 14.9459 15.0522 15.0522 15.0609 15.0609 15.1516 15.1516 16.6423 16.6423 k = 0.5000 0.5000 0.3947 ( 5972 PWs) bands (ev): -42.1680 -42.1680 -42.1679 -42.1679 -42.1679 -42.1679 -19.1093 -19.1093 -18.9385 -18.9385 -18.9363 -18.9363 -18.4163 -18.4163 -18.3716 -18.3716 -18.2094 -18.2094 -18.2061 -18.2061 -18.0814 -18.0814 -18.0796 -18.0796 -0.0682 -0.0682 -0.0663 -0.0663 0.3868 0.3868 0.7363 0.7363 0.8073 0.8073 0.8130 0.8130 8.4253 8.4253 8.4255 8.4255 8.5824 8.5824 8.8453 8.8453 12.6980 12.6980 12.8679 12.8679 13.0275 13.0275 14.8680 14.8680 14.9159 14.9159 14.9214 14.9214 15.0550 15.0550 15.0650 15.0650 15.1370 15.1370 16.6422 16.6422 k = 0.5000 0.5000 0.4079 ( 5964 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1120 -19.1120 -18.9388 -18.9388 -18.9371 -18.9371 -18.4177 -18.4177 -18.3713 -18.3713 -18.2082 -18.2082 -18.2056 -18.2056 -18.0797 -18.0797 -18.0783 -18.0783 -0.0680 -0.0680 -0.0666 -0.0666 0.4014 0.4014 0.7348 0.7348 0.8078 0.8078 0.8122 0.8122 8.4223 8.4223 8.4226 8.4226 8.5436 8.5436 8.8443 8.8443 12.7305 12.7305 12.9079 12.9079 13.0309 13.0309 14.8499 14.8499 14.8922 14.8922 14.8969 14.8969 15.0581 15.0581 15.0686 15.0686 15.1243 15.1243 16.6421 16.6421 k = 0.5000 0.5000 0.4211 ( 5956 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1143 -19.1143 -18.9391 -18.9391 -18.9378 -18.9378 -18.4190 -18.4190 -18.3710 -18.3710 -18.2071 -18.2071 -18.2052 -18.2052 -18.0781 -18.0781 -18.0771 -18.0771 -0.0679 -0.0679 -0.0668 -0.0668 0.4145 0.4145 0.7334 0.7334 0.8083 0.8083 0.8116 0.8116 8.4197 8.4197 8.4200 8.4200 8.5094 8.5094 8.8435 8.8435 12.7592 12.7592 12.9448 12.9448 13.0352 13.0352 14.8342 14.8342 14.8689 14.8689 14.8734 14.8734 15.0611 15.0611 15.0716 15.0716 15.1135 15.1135 16.6420 16.6420 k = 0.5000 0.5000 0.4342 ( 5956 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1163 -19.1163 -18.9393 -18.9393 -18.9384 -18.9384 -18.4200 -18.4200 -18.3708 -18.3708 -18.2062 -18.2062 -18.2049 -18.2049 -18.0769 -18.0769 -18.0761 -18.0761 -0.0678 -0.0678 -0.0671 -0.0671 0.4259 0.4259 0.7322 0.7322 0.8087 0.8087 0.8110 0.8110 8.4175 8.4175 8.4179 8.4179 8.4802 8.4802 8.8428 8.8428 12.7836 12.7836 12.9778 12.9778 13.0403 13.0403 14.8207 14.8207 14.8472 14.8472 14.8516 14.8516 15.0639 15.0639 15.0736 15.0736 15.1050 15.1050 16.6423 16.6436 k = 0.5000 0.5000 0.4474 ( 5964 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1180 -19.1180 -18.9395 -18.9395 -18.9389 -18.9389 -18.4209 -18.4209 -18.3707 -18.3707 -18.2054 -18.2054 -18.2046 -18.2046 -18.0758 -18.0758 -18.0753 -18.0753 -0.0677 -0.0677 -0.0673 -0.0673 0.4354 0.4354 0.7311 0.7311 0.8090 0.8090 0.8105 0.8105 8.4156 8.4156 8.4160 8.4160 8.4560 8.4560 8.8423 8.8423 12.8033 12.8033 13.0061 13.0061 13.0457 13.0457 14.8095 14.8095 14.8281 14.8281 14.8323 14.8323 15.0663 15.0663 15.0744 15.0744 15.0990 15.0990 16.6418 16.6419 k = 0.5000 0.5000 0.4605 ( 5972 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1193 -19.1193 -18.9396 -18.9396 -18.9393 -18.9393 -18.4216 -18.4216 -18.3705 -18.3705 -18.2049 -18.2049 -18.2044 -18.2044 -18.0749 -18.0749 -18.0747 -18.0747 -0.0677 -0.0677 -0.0674 -0.0674 0.4430 0.4430 0.7302 0.7302 0.8092 0.8092 0.8101 0.8101 8.4141 8.4141 8.4146 8.4146 8.4370 8.4370 8.8418 8.8418 12.8183 12.8183 13.0290 13.0290 13.0511 13.0511 14.8002 14.8002 14.8126 14.8126 14.8164 14.8164 15.0682 15.0682 15.0738 15.0738 15.0956 15.0956 16.6418 16.6420 k = 0.5000 0.5000 0.4737 ( 5980 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1202 -19.1202 -18.9397 -18.9397 -18.9396 -18.9396 -18.4221 -18.4221 -18.3704 -18.3704 -18.2044 -18.2044 -18.2042 -18.2042 -18.0743 -18.0743 -18.0742 -18.0742 -0.0676 -0.0676 -0.0675 -0.0675 0.4485 0.4485 0.7296 0.7296 0.8094 0.8094 0.8098 0.8098 8.4131 8.4131 8.4136 8.4136 8.4234 8.4234 8.8415 8.8415 12.8288 12.8288 13.0459 13.0459 13.0556 13.0556 14.7925 14.7925 14.8021 14.8021 14.8046 14.8046 15.0696 15.0696 15.0724 15.0724 15.0940 15.0940 16.6418 16.6420 k = 0.5000 0.5000 0.4868 ( 6008 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1208 -19.1208 -18.9398 -18.9398 -18.9398 -18.9398 -18.4224 -18.4224 -18.3704 -18.3704 -18.2042 -18.2042 -18.2041 -18.2041 -18.0740 -18.0740 -18.0739 -18.0739 -0.0676 -0.0676 -0.0676 -0.0676 0.4518 0.4518 0.7292 0.7292 0.8095 0.8095 0.8096 0.8096 8.4124 8.4124 8.4129 8.4129 8.4152 8.4152 8.8413 8.8413 12.8349 12.8349 13.0562 13.0562 13.0586 13.0586 14.7869 14.7869 14.7964 14.7964 14.7972 14.7972 15.0705 15.0705 15.0712 15.0712 15.0935 15.0935 16.6417 16.6417 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -42.1679 -19.1210 -19.1210 -18.9398 -18.9398 -18.9398 -18.9398 -18.4225 -18.4225 -18.3703 -18.3703 -18.2041 -18.2041 -18.2041 -18.2041 -18.0738 -18.0738 -18.0738 -18.0738 -0.0676 -0.0676 -0.0676 -0.0676 0.4529 0.4529 0.7291 0.7291 0.8095 0.8095 0.8095 0.8095 8.4120 8.4120 8.4127 8.4127 8.4127 8.4127 8.8413 8.8413 12.8369 12.8369 13.0597 13.0597 13.0597 13.0597 14.7848 14.7848 14.7947 14.7947 14.7947 14.7947 15.0707 15.0707 15.0707 15.0707 15.0934 15.0934 16.6417 16.6417 Writing output data file Ti3InN.save init_run : 0.17s CPU 0.27s WALL ( 1 calls) electrons : 357.67s CPU 362.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 357.66s CPU 362.12s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 293 calls) cegterg : 343.55s CPU 347.40s WALL ( 756 calls) Called by sum_band: Called by *egterg: h_psi : 183.56s CPU 185.99s WALL ( 13341 calls) s_psi : 6.69s CPU 6.83s WALL ( 13341 calls) g_psi : 0.56s CPU 0.64s WALL ( 12292 calls) cdiaghg : 117.55s CPU 118.98s WALL ( 12585 calls) cegterg:over : 16.95s CPU 16.80s WALL ( 12292 calls) cegterg:upda : 15.28s CPU 15.40s WALL ( 12292 calls) cegterg:last : 8.00s CPU 8.09s WALL ( 1928 calls) cdiaghg:chol : 6.50s CPU 6.78s WALL ( 12585 calls) cdiaghg:inve : 4.63s CPU 4.75s WALL ( 12585 calls) cdiaghg:para : 8.04s CPU 7.76s WALL ( 25170 calls) Called by h_psi: h_psi:vloc : 158.30s CPU 160.80s WALL ( 13341 calls) h_psi:vnl : 24.62s CPU 24.55s WALL ( 13341 calls) add_vuspsi : 13.23s CPU 13.08s WALL ( 13341 calls) General routines calbec : 11.32s CPU 11.43s WALL ( 13341 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 150.33s CPU 152.90s WALL ( 1412544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.32s WALL ( 586 calls) Parallel routines fft_scatter : 48.86s CPU 49.75s WALL ( 1412567 calls) PWSCF : 6m18.70s CPU 6m32.70s WALL This run was terminated on: 19:43: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=