Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:35:40 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: ./InNi3N.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 37 20 6 1035 415 70 Max 38 21 7 1040 431 75 Sum 1353 749 225 37385 15203 2553 bravais-lattice index = 14 lattice parameter (alat) = 7.2651 a.u. unit-cell volume = 383.4565 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.265052 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Ni 10.00 58.69340 Ni( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 37385 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 15203 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 112, 58) NL pseudopotentials 0.13 Mb ( 56, 150) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1037) G-vector shells 0.00 Mb ( 260) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 112, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 150, 2, 58) The potential is recalculated from file : ./InNi3N.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.7 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.5 secs Computing kpt #: 18 total cpu time spent up to now is 7.7 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.3 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.3 secs Computing kpt #: 25 total cpu time spent up to now is 9.6 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.1 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.3 secs Computing kpt #: 32 total cpu time spent up to now is 11.6 secs Computing kpt #: 33 total cpu time spent up to now is 11.9 secs Computing kpt #: 34 total cpu time spent up to now is 12.2 secs Computing kpt #: 35 total cpu time spent up to now is 12.5 secs Computing kpt #: 36 total cpu time spent up to now is 12.8 secs Computing kpt #: 37 total cpu time spent up to now is 13.1 secs Computing kpt #: 38 total cpu time spent up to now is 13.4 secs Computing kpt #: 39 total cpu time spent up to now is 13.7 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.5 secs Computing kpt #: 42 total cpu time spent up to now is 14.8 secs Computing kpt #: 43 total cpu time spent up to now is 15.2 secs Computing kpt #: 44 total cpu time spent up to now is 15.5 secs Computing kpt #: 45 total cpu time spent up to now is 15.8 secs Computing kpt #: 46 total cpu time spent up to now is 16.1 secs Computing kpt #: 47 total cpu time spent up to now is 16.5 secs Computing kpt #: 48 total cpu time spent up to now is 16.7 secs Computing kpt #: 49 total cpu time spent up to now is 17.0 secs Computing kpt #: 50 total cpu time spent up to now is 17.3 secs Computing kpt #: 51 total cpu time spent up to now is 17.6 secs Computing kpt #: 52 total cpu time spent up to now is 17.9 secs Computing kpt #: 53 total cpu time spent up to now is 18.2 secs Computing kpt #: 54 total cpu time spent up to now is 18.5 secs Computing kpt #: 55 total cpu time spent up to now is 18.7 secs Computing kpt #: 56 total cpu time spent up to now is 19.0 secs Computing kpt #: 57 total cpu time spent up to now is 19.3 secs Computing kpt #: 58 total cpu time spent up to now is 19.6 secs Computing kpt #: 59 total cpu time spent up to now is 19.9 secs Computing kpt #: 60 total cpu time spent up to now is 20.1 secs Computing kpt #: 61 total cpu time spent up to now is 20.4 secs Computing kpt #: 62 total cpu time spent up to now is 20.7 secs Computing kpt #: 63 total cpu time spent up to now is 20.9 secs Computing kpt #: 64 total cpu time spent up to now is 21.2 secs Computing kpt #: 65 total cpu time spent up to now is 21.5 secs Computing kpt #: 66 total cpu time spent up to now is 21.7 secs Computing kpt #: 67 total cpu time spent up to now is 22.0 secs Computing kpt #: 68 total cpu time spent up to now is 22.3 secs Computing kpt #: 69 total cpu time spent up to now is 22.5 secs Computing kpt #: 70 total cpu time spent up to now is 22.8 secs Computing kpt #: 71 total cpu time spent up to now is 23.1 secs Computing kpt #: 72 total cpu time spent up to now is 23.4 secs Computing kpt #: 73 total cpu time spent up to now is 23.6 secs Computing kpt #: 74 total cpu time spent up to now is 23.9 secs Computing kpt #: 75 total cpu time spent up to now is 24.2 secs Computing kpt #: 76 total cpu time spent up to now is 24.5 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.0 secs Computing kpt #: 79 total cpu time spent up to now is 25.4 secs Computing kpt #: 80 total cpu time spent up to now is 25.7 secs Computing kpt #: 81 total cpu time spent up to now is 26.0 secs Computing kpt #: 82 total cpu time spent up to now is 26.3 secs Computing kpt #: 83 total cpu time spent up to now is 26.6 secs Computing kpt #: 84 total cpu time spent up to now is 26.9 secs Computing kpt #: 85 total cpu time spent up to now is 27.2 secs Computing kpt #: 86 total cpu time spent up to now is 27.5 secs Computing kpt #: 87 total cpu time spent up to now is 27.8 secs Computing kpt #: 88 total cpu time spent up to now is 28.1 secs Computing kpt #: 89 total cpu time spent up to now is 28.4 secs Computing kpt #: 90 total cpu time spent up to now is 28.7 secs Computing kpt #: 91 total cpu time spent up to now is 29.0 secs Computing kpt #: 92 total cpu time spent up to now is 29.3 secs Computing kpt #: 93 total cpu time spent up to now is 29.6 secs Computing kpt #: 94 total cpu time spent up to now is 29.9 secs Computing kpt #: 95 total cpu time spent up to now is 30.2 secs Computing kpt #: 96 total cpu time spent up to now is 30.4 secs Computing kpt #: 97 total cpu time spent up to now is 30.7 secs Computing kpt #: 98 total cpu time spent up to now is 31.0 secs Computing kpt #: 99 total cpu time spent up to now is 31.2 secs Computing kpt #: 100 total cpu time spent up to now is 31.5 secs Computing kpt #: 101 total cpu time spent up to now is 31.8 secs Computing kpt #: 102 total cpu time spent up to now is 32.0 secs Computing kpt #: 103 total cpu time spent up to now is 32.3 secs Computing kpt #: 104 total cpu time spent up to now is 32.6 secs Computing kpt #: 105 total cpu time spent up to now is 32.9 secs Computing kpt #: 106 total cpu time spent up to now is 33.1 secs Computing kpt #: 107 total cpu time spent up to now is 33.4 secs Computing kpt #: 108 total cpu time spent up to now is 33.7 secs Computing kpt #: 109 total cpu time spent up to now is 34.0 secs Computing kpt #: 110 total cpu time spent up to now is 34.3 secs Computing kpt #: 111 total cpu time spent up to now is 34.6 secs Computing kpt #: 112 total cpu time spent up to now is 35.0 secs Computing kpt #: 113 total cpu time spent up to now is 35.4 secs Computing kpt #: 114 total cpu time spent up to now is 35.7 secs Computing kpt #: 115 total cpu time spent up to now is 36.1 secs Computing kpt #: 116 total cpu time spent up to now is 36.5 secs Computing kpt #: 117 total cpu time spent up to now is 36.9 secs Computing kpt #: 118 total cpu time spent up to now is 37.2 secs Computing kpt #: 119 total cpu time spent up to now is 37.5 secs Computing kpt #: 120 total cpu time spent up to now is 37.9 secs Computing kpt #: 121 total cpu time spent up to now is 38.1 secs Computing kpt #: 122 total cpu time spent up to now is 38.4 secs Computing kpt #: 123 total cpu time spent up to now is 38.7 secs Computing kpt #: 124 total cpu time spent up to now is 39.0 secs Computing kpt #: 125 total cpu time spent up to now is 39.3 secs Computing kpt #: 126 total cpu time spent up to now is 39.6 secs Computing kpt #: 127 total cpu time spent up to now is 39.8 secs Computing kpt #: 128 total cpu time spent up to now is 40.1 secs Computing kpt #: 129 total cpu time spent up to now is 40.4 secs Computing kpt #: 130 total cpu time spent up to now is 40.7 secs Computing kpt #: 131 total cpu time spent up to now is 41.0 secs Computing kpt #: 132 total cpu time spent up to now is 41.6 secs Computing kpt #: 133 total cpu time spent up to now is 41.9 secs Computing kpt #: 134 total cpu time spent up to now is 42.2 secs Computing kpt #: 135 total cpu time spent up to now is 42.5 secs Computing kpt #: 136 total cpu time spent up to now is 42.8 secs Computing kpt #: 137 total cpu time spent up to now is 43.1 secs Computing kpt #: 138 total cpu time spent up to now is 43.4 secs Computing kpt #: 139 total cpu time spent up to now is 43.8 secs Computing kpt #: 140 total cpu time spent up to now is 44.1 secs Computing kpt #: 141 total cpu time spent up to now is 44.5 secs Computing kpt #: 142 total cpu time spent up to now is 44.8 secs Computing kpt #: 143 total cpu time spent up to now is 45.0 secs Computing kpt #: 144 total cpu time spent up to now is 45.3 secs Computing kpt #: 145 total cpu time spent up to now is 45.5 secs Computing kpt #: 146 total cpu time spent up to now is 45.9 secs Computing kpt #: 147 total cpu time spent up to now is 46.3 secs Computing kpt #: 148 total cpu time spent up to now is 46.7 secs Computing kpt #: 149 total cpu time spent up to now is 47.1 secs Computing kpt #: 150 total cpu time spent up to now is 47.4 secs Computing kpt #: 151 total cpu time spent up to now is 47.8 secs Computing kpt #: 152 total cpu time spent up to now is 48.2 secs Computing kpt #: 153 total cpu time spent up to now is 48.5 secs Computing kpt #: 154 total cpu time spent up to now is 48.9 secs Computing kpt #: 155 total cpu time spent up to now is 49.2 secs Computing kpt #: 156 total cpu time spent up to now is 49.6 secs Computing kpt #: 157 total cpu time spent up to now is 50.0 secs Computing kpt #: 158 total cpu time spent up to now is 50.3 secs Computing kpt #: 159 total cpu time spent up to now is 50.7 secs Computing kpt #: 160 total cpu time spent up to now is 51.0 secs Computing kpt #: 161 total cpu time spent up to now is 51.4 secs Computing kpt #: 162 total cpu time spent up to now is 51.8 secs Computing kpt #: 163 total cpu time spent up to now is 52.2 secs Computing kpt #: 164 total cpu time spent up to now is 52.6 secs Computing kpt #: 165 total cpu time spent up to now is 53.2 secs Computing kpt #: 166 total cpu time spent up to now is 53.7 secs Computing kpt #: 167 total cpu time spent up to now is 54.3 secs Computing kpt #: 168 total cpu time spent up to now is 55.0 secs Computing kpt #: 169 total cpu time spent up to now is 55.6 secs Computing kpt #: 170 total cpu time spent up to now is 56.2 secs Computing kpt #: 171 total cpu time spent up to now is 57.0 secs Computing kpt #: 172 total cpu time spent up to now is 57.6 secs Computing kpt #: 173 total cpu time spent up to now is 58.3 secs Computing kpt #: 174 total cpu time spent up to now is 58.8 secs Computing kpt #: 175 total cpu time spent up to now is 59.4 secs Computing kpt #: 176 total cpu time spent up to now is 59.9 secs Computing kpt #: 177 total cpu time spent up to now is 60.4 secs Computing kpt #: 178 total cpu time spent up to now is 60.9 secs Computing kpt #: 179 total cpu time spent up to now is 61.9 secs Computing kpt #: 180 total cpu time spent up to now is 62.4 secs Computing kpt #: 181 total cpu time spent up to now is 63.0 secs Computing kpt #: 182 total cpu time spent up to now is 63.7 secs Computing kpt #: 183 total cpu time spent up to now is 64.1 secs Computing kpt #: 184 total cpu time spent up to now is 64.5 secs Computing kpt #: 185 total cpu time spent up to now is 64.8 secs Computing kpt #: 186 total cpu time spent up to now is 65.1 secs Computing kpt #: 187 total cpu time spent up to now is 65.4 secs Computing kpt #: 188 total cpu time spent up to now is 65.7 secs Computing kpt #: 189 total cpu time spent up to now is 66.0 secs Computing kpt #: 190 total cpu time spent up to now is 66.3 secs Computing kpt #: 191 total cpu time spent up to now is 66.6 secs Computing kpt #: 192 total cpu time spent up to now is 66.9 secs Computing kpt #: 193 total cpu time spent up to now is 67.2 secs Computing kpt #: 194 total cpu time spent up to now is 67.5 secs Computing kpt #: 195 total cpu time spent up to now is 67.8 secs Computing kpt #: 196 total cpu time spent up to now is 68.1 secs Computing kpt #: 197 total cpu time spent up to now is 68.4 secs Computing kpt #: 198 total cpu time spent up to now is 68.7 secs Computing kpt #: 199 total cpu time spent up to now is 69.0 secs Computing kpt #: 200 total cpu time spent up to now is 69.3 secs Computing kpt #: 201 total cpu time spent up to now is 69.6 secs Computing kpt #: 202 total cpu time spent up to now is 69.9 secs Computing kpt #: 203 total cpu time spent up to now is 70.2 secs Computing kpt #: 204 total cpu time spent up to now is 70.5 secs Computing kpt #: 205 total cpu time spent up to now is 70.9 secs Computing kpt #: 206 total cpu time spent up to now is 71.2 secs Computing kpt #: 207 total cpu time spent up to now is 71.7 secs Computing kpt #: 208 total cpu time spent up to now is 72.2 secs Computing kpt #: 209 total cpu time spent up to now is 72.5 secs Computing kpt #: 210 total cpu time spent up to now is 72.9 secs Computing kpt #: 211 total cpu time spent up to now is 73.4 secs Computing kpt #: 212 total cpu time spent up to now is 73.9 secs Computing kpt #: 213 total cpu time spent up to now is 74.3 secs Computing kpt #: 214 total cpu time spent up to now is 74.9 secs Computing kpt #: 215 total cpu time spent up to now is 75.3 secs Computing kpt #: 216 total cpu time spent up to now is 75.7 secs Computing kpt #: 217 total cpu time spent up to now is 76.1 secs Computing kpt #: 218 total cpu time spent up to now is 76.7 secs Computing kpt #: 219 total cpu time spent up to now is 77.2 secs Computing kpt #: 220 total cpu time spent up to now is 77.8 secs Computing kpt #: 221 total cpu time spent up to now is 78.2 secs Computing kpt #: 222 total cpu time spent up to now is 78.7 secs Computing kpt #: 223 total cpu time spent up to now is 79.1 secs Computing kpt #: 224 total cpu time spent up to now is 79.5 secs Computing kpt #: 225 total cpu time spent up to now is 79.8 secs Computing kpt #: 226 total cpu time spent up to now is 80.2 secs Computing kpt #: 227 total cpu time spent up to now is 80.5 secs Computing kpt #: 228 total cpu time spent up to now is 80.9 secs Computing kpt #: 229 total cpu time spent up to now is 81.2 secs Computing kpt #: 230 total cpu time spent up to now is 81.5 secs Computing kpt #: 231 total cpu time spent up to now is 81.8 secs Computing kpt #: 232 total cpu time spent up to now is 82.1 secs Computing kpt #: 233 total cpu time spent up to now is 82.4 secs Computing kpt #: 234 total cpu time spent up to now is 82.7 secs Computing kpt #: 235 total cpu time spent up to now is 83.0 secs Computing kpt #: 236 total cpu time spent up to now is 83.3 secs Computing kpt #: 237 total cpu time spent up to now is 83.6 secs Computing kpt #: 238 total cpu time spent up to now is 83.9 secs Computing kpt #: 239 total cpu time spent up to now is 84.2 secs Computing kpt #: 240 total cpu time spent up to now is 84.5 secs Computing kpt #: 241 total cpu time spent up to now is 84.7 secs Computing kpt #: 242 total cpu time spent up to now is 85.0 secs Computing kpt #: 243 total cpu time spent up to now is 85.3 secs Computing kpt #: 244 total cpu time spent up to now is 85.6 secs Computing kpt #: 245 total cpu time spent up to now is 85.8 secs Computing kpt #: 246 total cpu time spent up to now is 86.1 secs Computing kpt #: 247 total cpu time spent up to now is 86.4 secs Computing kpt #: 248 total cpu time spent up to now is 86.7 secs Computing kpt #: 249 total cpu time spent up to now is 87.0 secs Computing kpt #: 250 total cpu time spent up to now is 87.2 secs Computing kpt #: 251 total cpu time spent up to now is 87.5 secs Computing kpt #: 252 total cpu time spent up to now is 87.8 secs Computing kpt #: 253 total cpu time spent up to now is 88.2 secs Computing kpt #: 254 total cpu time spent up to now is 88.5 secs Computing kpt #: 255 total cpu time spent up to now is 88.8 secs Computing kpt #: 256 total cpu time spent up to now is 89.2 secs Computing kpt #: 257 total cpu time spent up to now is 89.6 secs Computing kpt #: 258 total cpu time spent up to now is 89.9 secs Computing kpt #: 259 total cpu time spent up to now is 90.3 secs Computing kpt #: 260 total cpu time spent up to now is 90.6 secs Computing kpt #: 261 total cpu time spent up to now is 90.9 secs Computing kpt #: 262 total cpu time spent up to now is 91.2 secs Computing kpt #: 263 total cpu time spent up to now is 91.5 secs Computing kpt #: 264 total cpu time spent up to now is 91.8 secs Computing kpt #: 265 total cpu time spent up to now is 92.1 secs Computing kpt #: 266 total cpu time spent up to now is 92.4 secs Computing kpt #: 267 total cpu time spent up to now is 92.7 secs Computing kpt #: 268 total cpu time spent up to now is 93.0 secs Computing kpt #: 269 total cpu time spent up to now is 93.3 secs Computing kpt #: 270 total cpu time spent up to now is 93.6 secs Computing kpt #: 271 total cpu time spent up to now is 93.9 secs Computing kpt #: 272 total cpu time spent up to now is 94.3 secs Computing kpt #: 273 total cpu time spent up to now is 94.6 secs Computing kpt #: 274 total cpu time spent up to now is 95.0 secs Computing kpt #: 275 total cpu time spent up to now is 95.2 secs Computing kpt #: 276 total cpu time spent up to now is 95.6 secs Computing kpt #: 277 total cpu time spent up to now is 95.9 secs Computing kpt #: 278 total cpu time spent up to now is 96.2 secs Computing kpt #: 279 total cpu time spent up to now is 96.5 secs Computing kpt #: 280 total cpu time spent up to now is 96.8 secs Computing kpt #: 281 total cpu time spent up to now is 97.0 secs Computing kpt #: 282 total cpu time spent up to now is 97.3 secs Computing kpt #: 283 total cpu time spent up to now is 97.6 secs Computing kpt #: 284 total cpu time spent up to now is 97.8 secs Computing kpt #: 285 total cpu time spent up to now is 98.1 secs Computing kpt #: 286 total cpu time spent up to now is 98.3 secs Computing kpt #: 287 total cpu time spent up to now is 98.6 secs Computing kpt #: 288 total cpu time spent up to now is 98.9 secs Computing kpt #: 289 total cpu time spent up to now is 99.1 secs Computing kpt #: 290 total cpu time spent up to now is 99.4 secs Computing kpt #: 291 total cpu time spent up to now is 99.7 secs Computing kpt #: 292 total cpu time spent up to now is 99.9 secs Computing kpt #: 293 total cpu time spent up to now is 100.2 secs Computing kpt #: 294 total cpu time spent up to now is 100.5 secs Computing kpt #: 295 total cpu time spent up to now is 100.7 secs Computing kpt #: 296 total cpu time spent up to now is 101.0 secs Computing kpt #: 297 total cpu time spent up to now is 101.3 secs Computing kpt #: 298 total cpu time spent up to now is 101.5 secs Computing kpt #: 299 total cpu time spent up to now is 101.8 secs Computing kpt #: 300 total cpu time spent up to now is 102.1 secs Computing kpt #: 301 total cpu time spent up to now is 102.4 secs Computing kpt #: 302 total cpu time spent up to now is 102.7 secs Computing kpt #: 303 total cpu time spent up to now is 103.0 secs Computing kpt #: 304 total cpu time spent up to now is 103.2 secs Computing kpt #: 305 total cpu time spent up to now is 103.6 secs Computing kpt #: 306 total cpu time spent up to now is 103.9 secs Computing kpt #: 307 total cpu time spent up to now is 104.2 secs Computing kpt #: 308 total cpu time spent up to now is 104.6 secs Computing kpt #: 309 total cpu time spent up to now is 105.0 secs Computing kpt #: 310 total cpu time spent up to now is 105.3 secs Computing kpt #: 311 total cpu time spent up to now is 105.8 secs Computing kpt #: 312 total cpu time spent up to now is 106.3 secs Computing kpt #: 313 total cpu time spent up to now is 106.8 secs Computing kpt #: 314 total cpu time spent up to now is 107.3 secs Computing kpt #: 315 total cpu time spent up to now is 107.8 secs Computing kpt #: 316 total cpu time spent up to now is 108.3 secs ethr = 2.08E-08, avg # of iterations = 20.5 total cpu time spent up to now is 108.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -2.4894 -2.4894 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1224 0.1224 0.1821 0.1821 5.6965 5.6965 9.3978 9.3978 9.3978 9.3978 9.4062 9.4062 11.3551 11.3551 11.3551 11.3551 11.3722 11.3722 11.6460 11.6460 11.6460 11.6460 13.0051 13.0051 13.0051 13.0051 13.1791 13.1791 13.1791 13.1791 13.2276 13.2276 13.8032 13.8032 13.8943 13.8943 13.8943 13.8943 13.9941 13.9941 15.6181 15.6181 16.7377 16.7377 17.2036 17.2036 17.2036 17.2036 19.6746 19.6746 k = 0.0000 0.0122-0.0000 ( 1863 PWs) bands (ev): -2.4888 -2.4888 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1225 0.1225 0.1820 0.1820 5.6970 5.6970 9.3946 9.3946 9.3973 9.3973 9.4047 9.4047 11.3553 11.3553 11.3556 11.3556 11.3725 11.3725 11.6455 11.6455 11.6468 11.6468 13.0050 13.0050 13.0054 13.0054 13.1787 13.1787 13.1788 13.1788 13.2272 13.2272 13.8032 13.8032 13.8942 13.8942 13.8943 13.8943 13.9936 13.9936 15.6187 15.6187 16.7373 16.7373 17.1989 17.1989 17.2056 17.2056 19.6751 19.6751 k = 0.0000 0.0244-0.0000 ( 1879 PWs) bands (ev): -2.4869 -2.4869 -0.6980 -0.6980 -0.6978 -0.6978 0.1225 0.1225 0.1227 0.1227 0.1819 0.1819 5.6987 5.6987 9.3833 9.3833 9.3956 9.3956 9.4021 9.4021 11.3559 11.3559 11.3568 11.3568 11.3734 11.3734 11.6435 11.6435 11.6491 11.6491 13.0048 13.0048 13.0056 13.0056 13.1772 13.1772 13.1778 13.1778 13.2257 13.2257 13.8034 13.8034 13.8942 13.8942 13.8946 13.8946 13.9920 13.9920 15.6207 15.6207 16.7359 16.7359 17.1858 17.1858 17.2118 17.2118 19.6765 19.6765 k = 0.0000 0.0366-0.0000 ( 1891 PWs) bands (ev): -2.4838 -2.4838 -0.6980 -0.6980 -0.6975 -0.6975 0.1225 0.1225 0.1232 0.1232 0.1818 0.1818 5.7015 5.7015 9.3638 9.3638 9.3929 9.3929 9.3989 9.3989 11.3569 11.3569 11.3592 11.3592 11.3750 11.3750 11.6405 11.6405 11.6529 11.6529 13.0041 13.0041 13.0066 13.0066 13.1752 13.1752 13.1761 13.1761 13.2236 13.2236 13.8038 13.8038 13.8941 13.8941 13.8951 13.8951 13.9894 13.9894 15.6240 15.6240 16.7323 16.7323 17.1665 17.1665 17.2219 17.2219 19.6789 19.6789 k = 0.0000 0.0488-0.0000 ( 1891 PWs) bands (ev): -2.4796 -2.4796 -0.6979 -0.6979 -0.6970 -0.6970 0.1227 0.1227 0.1239 0.1239 0.1817 0.1817 5.7053 5.7053 9.3367 9.3367 9.3892 9.3892 9.3950 9.3950 11.3584 11.3584 11.3626 11.3626 11.3776 11.3776 11.6361 11.6361 11.6584 11.6584 13.0037 13.0037 13.0076 13.0076 13.1728 13.1728 13.1742 13.1742 13.2209 13.2209 13.8043 13.8043 13.8941 13.8941 13.8957 13.8957 13.9856 13.9856 15.6286 15.6286 16.7247 16.7247 17.1446 17.1446 17.2362 17.2362 19.6824 19.6824 k = 0.0000 0.0610-0.0000 ( 1887 PWs) bands (ev): -2.4741 -2.4741 -0.6977 -0.6977 -0.6964 -0.6964 0.1229 0.1229 0.1249 0.1249 0.1817 0.1817 5.7101 5.7101 9.3027 9.3027 9.3844 9.3844 9.3901 9.3901 11.3602 11.3602 11.3670 11.3670 11.3810 11.3810 11.6299 11.6299 11.6655 11.6655 13.0032 13.0032 13.0082 13.0082 13.1701 13.1701 13.1717 13.1717 13.2176 13.2176 13.8050 13.8050 13.8940 13.8940 13.8965 13.8965 13.9810 13.9810 15.6347 15.6347 16.7107 16.7107 17.1245 17.1245 17.2543 17.2543 19.6868 19.6868 k = 0.0000 0.0732-0.0000 ( 1887 PWs) bands (ev): -2.4674 -2.4674 -0.6975 -0.6975 -0.6956 -0.6956 0.1232 0.1232 0.1260 0.1260 0.1815 0.1815 5.7158 5.7158 9.2626 9.2626 9.3787 9.3787 9.3843 9.3843 11.3622 11.3622 11.3722 11.3722 11.3851 11.3851 11.6217 11.6217 11.6742 11.6742 13.0026 13.0026 13.0079 13.0079 13.1669 13.1669 13.1688 13.1688 13.2136 13.2136 13.8058 13.8058 13.8938 13.8938 13.8975 13.8975 13.9752 13.9752 15.6422 15.6422 16.6879 16.6879 17.1106 17.1106 17.2762 17.2762 19.6922 19.6922 k = 0.0000 0.0854-0.0000 ( 1887 PWs) bands (ev): -2.4597 -2.4597 -0.6973 -0.6973 -0.6947 -0.6947 0.1235 0.1235 0.1273 0.1273 0.1814 0.1814 5.7224 5.7224 9.2172 9.2172 9.3721 9.3721 9.3776 9.3776 11.3644 11.3644 11.3780 11.3780 11.3899 11.3899 11.6112 11.6112 11.6843 11.6843 13.0018 13.0018 13.0062 13.0062 13.1636 13.1636 13.1653 13.1653 13.2092 13.2092 13.8068 13.8068 13.8937 13.8937 13.8988 13.8988 13.9683 13.9683 15.6512 15.6512 16.6551 16.6551 17.1060 17.1060 17.3018 17.3018 19.6986 19.6986 k = 0.0000 0.0976-0.0000 ( 1895 PWs) bands (ev): -2.4508 -2.4508 -0.6971 -0.6971 -0.6938 -0.6938 0.1238 0.1238 0.1287 0.1287 0.1812 0.1812 5.7298 5.7298 9.1673 9.1673 9.3647 9.3647 9.3701 9.3701 11.3666 11.3666 11.3844 11.3844 11.3952 11.3952 11.5979 11.5979 11.6958 11.6958 13.0006 13.0006 13.0026 13.0026 13.1600 13.1600 13.1613 13.1613 13.2042 13.2042 13.8079 13.8079 13.8936 13.8936 13.9002 13.9002 13.9604 13.9604 15.6617 15.6617 16.6130 16.6130 17.1117 17.1117 17.3308 17.3308 19.7060 19.7060 k = 0.0000 0.1098-0.0000 ( 1895 PWs) bands (ev): -2.4408 -2.4408 -0.6968 -0.6968 -0.6927 -0.6927 0.1242 0.1242 0.1304 0.1304 0.1810 0.1810 5.7377 5.7377 9.1138 9.1138 9.3565 9.3565 9.3618 9.3618 11.3692 11.3692 11.3912 11.3912 11.4011 11.4011 11.5816 11.5816 11.7089 11.7089 12.9973 12.9973 12.9996 12.9996 13.1562 13.1562 13.1571 13.1571 13.1990 13.1990 13.8092 13.8092 13.8934 13.8934 13.9018 13.9018 13.9515 13.9515 15.6737 15.6737 16.5639 16.5639 17.1270 17.1270 17.3633 17.3633 19.7146 19.7146 k = 0.0000 0.1220-0.0000 ( 1895 PWs) bands (ev): -2.4298 -2.4298 -0.6965 -0.6965 -0.6915 -0.6915 0.1246 0.1246 0.1322 0.1322 0.1808 0.1808 5.7461 5.7461 9.0575 9.0575 9.3476 9.3476 9.3529 9.3529 11.3720 11.3720 11.3984 11.3984 11.4074 11.4074 11.5619 11.5619 11.7235 11.7235 12.9900 12.9900 12.9984 12.9984 13.1520 13.1520 13.1526 13.1526 13.1935 13.1935 13.8106 13.8106 13.8933 13.8933 13.9036 13.9036 13.9416 13.9416 15.6873 15.6873 16.5104 16.5104 17.1505 17.1505 17.3989 17.3989 19.7242 19.7242 k = 0.0000 0.1341-0.0000 ( 1891 PWs) bands (ev): -2.4179 -2.4179 -0.6962 -0.6962 -0.6902 -0.6902 0.1250 0.1250 0.1342 0.1342 0.1805 0.1805 5.7549 5.7549 8.9995 8.9995 9.3381 9.3381 9.3433 9.3433 11.3749 11.3749 11.4058 11.4058 11.4139 11.4139 11.5387 11.5387 11.7395 11.7395 12.9808 12.9808 12.9971 12.9971 13.1473 13.1473 13.1479 13.1479 13.1877 13.1877 13.8122 13.8122 13.8932 13.8932 13.9057 13.9057 13.9307 13.9307 15.7025 15.7025 16.4549 16.4549 17.1806 17.1806 17.4374 17.4374 19.7349 19.7349 k = 0.0000 0.1463-0.0000 ( 1887 PWs) bands (ev): -2.4050 -2.4050 -0.6958 -0.6958 -0.6888 -0.6888 0.1255 0.1255 0.1364 0.1364 0.1803 0.1803 5.7638 5.7638 8.9404 8.9404 9.3281 9.3281 9.3332 9.3332 11.3780 11.3780 11.4132 11.4132 11.4206 11.4206 11.5117 11.5117 11.7568 11.7568 12.9697 12.9697 12.9956 12.9956 13.1419 13.1419 13.1430 13.1430 13.1818 13.1818 13.8139 13.8139 13.8931 13.8931 13.9078 13.9078 13.9191 13.9191 15.7192 15.7192 16.3992 16.3992 17.2162 17.2162 17.4787 17.4787 19.7468 19.7468 k = 0.0000 0.1585-0.0000 ( 1887 PWs) bands (ev): -2.3913 -2.3913 -0.6955 -0.6955 -0.6874 -0.6874 0.1260 0.1260 0.1386 0.1386 0.1801 0.1801 5.7726 5.7726 8.8813 8.8813 9.3176 9.3176 9.3227 9.3227 11.3813 11.3813 11.4198 11.4198 11.4273 11.4273 11.4808 11.4808 11.7756 11.7756 12.9569 12.9569 12.9940 12.9940 13.1357 13.1357 13.1382 13.1382 13.1757 13.1757 13.8158 13.8158 13.8930 13.8930 13.9049 13.9049 13.9116 13.9116 15.7372 15.7372 16.3448 16.3448 17.2563 17.2563 17.5225 17.5225 19.7598 19.7598 k = 0.0000 0.1707-0.0000 ( 1887 PWs) bands (ev): -2.3768 -2.3768 -0.6951 -0.6951 -0.6859 -0.6859 0.1265 0.1265 0.1410 0.1410 0.1798 0.1798 5.7812 5.7812 8.8229 8.8229 9.3067 9.3067 9.3118 9.3118 11.3847 11.3847 11.4220 11.4220 11.4339 11.4339 11.4496 11.4496 11.7956 11.7956 12.9427 12.9427 12.9921 12.9921 13.1287 13.1287 13.1333 13.1333 13.1695 13.1695 13.8178 13.8178 13.8917 13.8917 13.8930 13.8930 13.9138 13.9138 15.7566 15.7566 16.2927 16.2927 17.3000 17.3000 17.5686 17.5686 19.7740 19.7740 k = 0.0000 0.1829-0.0000 ( 1883 PWs) bands (ev): -2.3615 -2.3615 -0.6947 -0.6947 -0.6843 -0.6843 0.1271 0.1271 0.1435 0.1435 0.1795 0.1795 5.7893 5.7893 8.7660 8.7660 9.2956 9.2956 9.3006 9.3006 11.3883 11.3883 11.3962 11.3962 11.4403 11.4403 11.4413 11.4413 11.8169 11.8169 12.9273 12.9273 12.9902 12.9902 13.1211 13.1211 13.1287 13.1287 13.1633 13.1633 13.8201 13.8201 13.8770 13.8770 13.8931 13.8931 13.9169 13.9169 15.7772 15.7772 16.2435 16.2435 17.3469 17.3469 17.6168 17.6168 19.7896 19.7896 k = 0.0000 0.1951-0.0000 ( 1895 PWs) bands (ev): -2.3456 -2.3456 -0.6943 -0.6943 -0.6828 -0.6828 0.1276 0.1276 0.1461 0.1461 0.1792 0.1792 5.7967 5.7967 8.7114 8.7114 9.2842 9.2842 9.2891 9.2891 11.3518 11.3518 11.3920 11.3920 11.4460 11.4460 11.4462 11.4462 11.8393 11.8393 12.9109 12.9109 12.9881 12.9881 13.1128 13.1128 13.1242 13.1242 13.1569 13.1569 13.8222 13.8222 13.8613 13.8613 13.8931 13.8931 13.9199 13.9199 15.7988 15.7988 16.1975 16.1975 17.3962 17.3962 17.6667 17.6667 19.8063 19.8063 k = 0.0000 0.2073-0.0000 ( 1895 PWs) bands (ev): -2.3291 -2.3291 -0.6939 -0.6939 -0.6812 -0.6812 0.1282 0.1282 0.1488 0.1488 0.1790 0.1790 5.8032 5.8032 8.6599 8.6599 9.2727 9.2727 9.2775 9.2775 11.3009 11.3009 11.3958 11.3958 11.4520 11.4520 11.4520 11.4520 11.8629 11.8629 12.8938 12.8938 12.9859 12.9859 13.1043 13.1043 13.1199 13.1199 13.1506 13.1506 13.8246 13.8246 13.8448 13.8448 13.8934 13.8934 13.9234 13.9234 15.8212 15.8212 16.1553 16.1553 17.4478 17.4478 17.7182 17.7182 19.8245 19.8245 k = 0.0000 0.2195-0.0000 ( 1895 PWs) bands (ev): -2.3122 -2.3122 -0.6935 -0.6935 -0.6796 -0.6796 0.1287 0.1287 0.1515 0.1515 0.1787 0.1787 5.8084 5.8084 8.6122 8.6122 9.2611 9.2611 9.2659 9.2659 11.2444 11.2444 11.3997 11.3997 11.4573 11.4573 11.4579 11.4579 11.8876 11.8876 12.8763 12.8763 12.9835 12.9835 13.0957 13.0957 13.1159 13.1159 13.1443 13.1443 13.8270 13.8270 13.8275 13.8275 13.8937 13.8937 13.9272 13.9272 15.8442 15.8442 16.1166 16.1166 17.5010 17.5010 17.7711 17.7711 19.8440 19.8440 k = 0.0000 0.2317-0.0000 ( 1891 PWs) bands (ev): -2.2948 -2.2948 -0.6930 -0.6930 -0.6780 -0.6780 0.1293 0.1293 0.1544 0.1544 0.1785 0.1785 5.8123 5.8123 8.5688 8.5688 9.2495 9.2495 9.2543 9.2543 11.1825 11.1825 11.4037 11.4037 11.4623 11.4623 11.4635 11.4635 11.9132 11.9132 12.8588 12.8588 12.9811 12.9811 13.0875 13.0875 13.1123 13.1123 13.1383 13.1383 13.8092 13.8092 13.8296 13.8296 13.8943 13.8943 13.9311 13.9311 15.8675 15.8675 16.0817 16.0817 17.5556 17.5556 17.8249 17.8249 19.8650 19.8650 k = 0.0000 0.2439-0.0000 ( 1891 PWs) bands (ev): -2.2772 -2.2772 -0.6926 -0.6926 -0.6764 -0.6764 0.1299 0.1299 0.1572 0.1572 0.1782 0.1782 5.8146 5.8146 8.5305 8.5305 9.2381 9.2381 9.2428 9.2428 11.1156 11.1156 11.4077 11.4077 11.4666 11.4666 11.4684 11.4684 11.9398 11.9398 12.8411 12.8411 12.9787 12.9787 13.0794 13.0794 13.1087 13.1087 13.1324 13.1324 13.7904 13.7904 13.8322 13.8322 13.8949 13.8949 13.9353 13.9353 15.8906 15.8906 16.0506 16.0506 17.6111 17.6111 17.8796 17.8796 19.8874 19.8874 k = 0.0000 0.2561-0.0000 ( 1891 PWs) bands (ev): -2.2593 -2.2593 -0.6921 -0.6921 -0.6748 -0.6748 0.1304 0.1304 0.1601 0.1601 0.1780 0.1780 5.8151 5.8151 8.4978 8.4978 9.2267 9.2267 9.2314 9.2314 11.0439 11.0439 11.4118 11.4118 11.4704 11.4704 11.4728 11.4728 11.9673 11.9673 12.8237 12.8237 12.9762 12.9762 13.0717 13.0717 13.1052 13.1052 13.1268 13.1268 13.7710 13.7710 13.8348 13.8348 13.8957 13.8957 13.9397 13.9397 15.9130 15.9130 16.0235 16.0235 17.6673 17.6673 17.9347 17.9347 19.9114 19.9114 k = 0.0000 0.2683-0.0000 ( 1891 PWs) bands (ev): -2.2414 -2.2414 -0.6917 -0.6917 -0.6732 -0.6732 0.1310 0.1310 0.1630 0.1630 0.1777 0.1777 5.8138 5.8138 8.4711 8.4711 9.2156 9.2156 9.2202 9.2202 10.9675 10.9675 11.4158 11.4158 11.4736 11.4736 11.4765 11.4765 11.9955 11.9955 12.8068 12.8068 12.9736 12.9736 13.0647 13.0647 13.1015 13.1015 13.1216 13.1216 13.7509 13.7509 13.8374 13.8374 13.8967 13.8967 13.9443 13.9443 15.9326 15.9326 16.0019 16.0019 17.7238 17.7238 17.9901 17.9901 19.9370 19.9370 k = 0.0000 0.2805-0.0000 ( 1899 PWs) bands (ev): -2.2234 -2.2234 -0.6913 -0.6913 -0.6717 -0.6717 0.1315 0.1315 0.1658 0.1658 0.1775 0.1775 5.8104 5.8104 8.4509 8.4509 9.2046 9.2046 9.2092 9.2092 10.8869 10.8869 11.4198 11.4198 11.4763 11.4763 11.4796 11.4796 12.0244 12.0244 12.7905 12.7905 12.9710 12.9710 13.0582 13.0582 13.0975 13.0975 13.1171 13.1171 13.7304 13.7304 13.8399 13.8399 13.8978 13.8978 13.9489 13.9489 15.9431 15.9431 15.9919 15.9919 17.7803 17.7803 18.0454 18.0454 19.9642 19.9642 k = 0.0000 0.2927-0.0000 ( 1907 PWs) bands (ev): -2.2056 -2.2056 -0.6909 -0.6909 -0.6702 -0.6702 0.1320 0.1320 0.1687 0.1687 0.1772 0.1772 5.8051 5.8051 8.4374 8.4374 9.1939 9.1939 9.1985 9.1985 10.8023 10.8023 11.4238 11.4238 11.4782 11.4782 11.4819 11.4819 12.0538 12.0538 12.7751 12.7751 12.9684 12.9684 13.0526 13.0526 13.0930 13.0930 13.1135 13.1135 13.7094 13.7094 13.8422 13.8422 13.8991 13.8991 13.9538 13.9538 15.9367 15.9367 16.0006 16.0006 17.8365 17.8365 18.1003 18.1003 19.9932 19.9932 k = 0.0000 0.3049-0.0000 ( 1907 PWs) bands (ev): -2.1880 -2.1880 -0.6905 -0.6905 -0.6688 -0.6688 0.1325 0.1325 0.1714 0.1714 0.1770 0.1770 5.7979 5.7979 8.4309 8.4309 9.1837 9.1837 9.1883 9.1883 10.7143 10.7143 11.4278 11.4278 11.4798 11.4798 11.4838 11.4838 12.0836 12.0836 12.7605 12.7605 12.9658 12.9658 13.0477 13.0477 13.0881 13.0881 13.1107 13.1107 13.6882 13.6882 13.8445 13.8445 13.9006 13.9006 13.9587 13.9587 15.9229 15.9229 16.0184 16.0184 17.8920 17.8920 18.1546 18.1546 20.0239 20.0239 k = 0.0000 0.3171-0.0000 ( 1907 PWs) bands (ev): -2.1707 -2.1707 -0.6901 -0.6901 -0.6674 -0.6674 0.1330 0.1330 0.1742 0.1742 0.1768 0.1768 5.7888 5.7888 8.4314 8.4314 9.1739 9.1739 9.1785 9.1785 10.6233 10.6233 11.4317 11.4317 11.4809 11.4809 11.4852 11.4852 12.1137 12.1137 12.7470 12.7470 12.9632 12.9632 13.0436 13.0436 13.0828 13.0828 13.1087 13.1087 13.6669 13.6669 13.8467 13.8467 13.9024 13.9024 13.9638 13.9638 15.9086 15.9086 16.0380 16.0380 17.9465 17.9465 18.2079 18.2079 20.0565 20.0565 k = 0.0000 0.3293-0.0000 ( 1915 PWs) bands (ev): -2.1539 -2.1539 -0.6897 -0.6897 -0.6661 -0.6661 0.1334 0.1334 0.1766 0.1766 0.1768 0.1768 5.7782 5.7782 8.4390 8.4390 9.1645 9.1645 9.1691 9.1691 10.5297 10.5297 11.4354 11.4354 11.4815 11.4815 11.4859 11.4859 12.1439 12.1439 12.7345 12.7345 12.9605 12.9605 13.0400 13.0400 13.0774 13.0774 13.1071 13.1071 13.6455 13.6455 13.8487 13.8487 13.9042 13.9042 13.9685 13.9685 15.8951 15.8951 16.0575 16.0575 17.9996 17.9996 18.2599 18.2599 20.0910 20.0910 k = 0.0000 0.3415-0.0000 ( 1900 PWs) bands (ev): -2.1376 -2.1376 -0.6893 -0.6893 -0.6647 -0.6647 0.1339 0.1339 0.1765 0.1765 0.1794 0.1794 5.7662 5.7662 8.4536 8.4536 9.1557 9.1557 9.1602 9.1602 10.4342 10.4342 11.4391 11.4391 11.4819 11.4819 11.4864 11.4864 12.1743 12.1743 12.7230 12.7230 12.9580 12.9580 13.0375 13.0375 13.0720 13.0720 13.1063 13.1063 13.6246 13.6246 13.8506 13.8506 13.9064 13.9064 13.9736 13.9736 15.8831 15.8831 16.0765 16.0765 18.0512 18.0512 18.3104 18.3104 20.1275 20.1275 k = 0.0000 0.3537-0.0000 ( 1900 PWs) bands (ev): -2.1219 -2.1219 -0.6889 -0.6889 -0.6636 -0.6636 0.1343 0.1343 0.1764 0.1764 0.1818 0.1818 5.7532 5.7532 8.4752 8.4752 9.1473 9.1473 9.1519 9.1519 10.3370 10.3370 11.4426 11.4426 11.4819 11.4819 11.4864 11.4864 12.2042 12.2042 12.7125 12.7125 12.9552 12.9552 13.0352 13.0352 13.0665 13.0665 13.1053 13.1053 13.6038 13.6038 13.8523 13.8523 13.9087 13.9087 13.9786 13.9786 15.8723 15.8723 16.0943 16.0943 18.1007 18.1007 18.3589 18.3589 20.1660 20.1660 k = 0.0000 0.3659-0.0000 ( 1900 PWs) bands (ev): -2.1071 -2.1071 -0.6886 -0.6886 -0.6625 -0.6625 0.1346 0.1346 0.1763 0.1763 0.1841 0.1841 5.7395 5.7395 8.5034 8.5034 9.1395 9.1395 9.1441 9.1441 10.2387 10.2387 11.4459 11.4459 11.4816 11.4816 11.4861 11.4861 12.2337 12.2337 12.7031 12.7031 12.9522 12.9522 13.0334 13.0334 13.0611 13.0611 13.1046 13.1046 13.5834 13.5834 13.8538 13.8538 13.9110 13.9110 13.9834 13.9834 15.8628 15.8628 16.1109 16.1109 18.1479 18.1479 18.4052 18.4052 20.2067 20.2067 k = 0.0000 0.3780-0.0000 ( 1900 PWs) bands (ev): -2.0931 -2.0931 -0.6883 -0.6883 -0.6614 -0.6614 0.1350 0.1350 0.1762 0.1762 0.1863 0.1863 5.7253 5.7253 8.5381 8.5381 9.1323 9.1323 9.1369 9.1369 10.1396 10.1396 11.4489 11.4489 11.4811 11.4811 11.4855 11.4855 12.2626 12.2626 12.6946 12.6946 12.9492 12.9492 13.0321 13.0321 13.0558 13.0558 13.1040 13.1040 13.5638 13.5638 13.8551 13.8551 13.9135 13.9135 13.9880 13.9880 15.8545 15.8545 16.1263 16.1263 18.1924 18.1924 18.4490 18.4490 20.2495 20.2495 k = 0.0000 0.3902-0.0000 ( 1904 PWs) bands (ev): -2.0801 -2.0801 -0.6880 -0.6880 -0.6605 -0.6605 0.1353 0.1353 0.1760 0.1760 0.1883 0.1883 5.7112 5.7112 8.5790 8.5790 9.1257 9.1257 9.1303 9.1303 10.0404 10.0404 11.4513 11.4513 11.4804 11.4804 11.4848 11.4848 12.2904 12.2904 12.6871 12.6871 12.9459 12.9459 13.0311 13.0311 13.0508 13.0508 13.1034 13.1034 13.5451 13.5451 13.8562 13.8562 13.9159 13.9159 13.9923 13.9923 15.8473 15.8473 16.1402 16.1402 18.2339 18.2339 18.4898 18.4898 20.2946 20.2946 k = 0.0000 0.4024-0.0000 ( 1908 PWs) bands (ev): -2.0682 -2.0682 -0.6878 -0.6878 -0.6597 -0.6597 0.1355 0.1355 0.1759 0.1759 0.1901 0.1901 5.6974 5.6974 8.6257 8.6257 9.1197 9.1197 9.1243 9.1243 9.9413 9.9413 11.4539 11.4539 11.4797 11.4797 11.4839 11.4839 12.3169 12.3169 12.6805 12.6805 12.9425 12.9425 13.0304 13.0304 13.0460 13.0460 13.1029 13.1029 13.5274 13.5274 13.8571 13.8571 13.9182 13.9182 13.9964 13.9964 15.8410 15.8410 16.1527 16.1527 18.2721 18.2721 18.5274 18.5274 20.3420 20.3420 k = 0.0000 0.4146-0.0000 ( 1896 PWs) bands (ev): -2.0575 -2.0575 -0.6875 -0.6875 -0.6589 -0.6589 0.1358 0.1358 0.1759 0.1759 0.1917 0.1917 5.6844 5.6844 8.6779 8.6779 9.1144 9.1144 9.1191 9.1191 9.8429 9.8429 11.4562 11.4562 11.4790 11.4790 11.4831 11.4831 12.3420 12.3420 12.6750 12.6750 12.9391 12.9391 13.0300 13.0300 13.0417 13.0417 13.1024 13.1024 13.5113 13.5113 13.8581 13.8581 13.9206 13.9206 14.0003 14.0003 15.8359 15.8359 16.1641 16.1641 18.3067 18.3067 18.5615 18.5615 20.3919 20.3919 k = 0.0000 0.4268-0.0000 ( 1896 PWs) bands (ev): -2.0480 -2.0480 -0.6873 -0.6873 -0.6582 -0.6582 0.1360 0.1360 0.1758 0.1758 0.1932 0.1932 5.6723 5.6723 8.7351 8.7351 9.1098 9.1098 9.1145 9.1145 9.7455 9.7455 11.4582 11.4582 11.4783 11.4783 11.4822 11.4822 12.3650 12.3650 12.6701 12.6701 12.9356 12.9356 13.0298 13.0298 13.0376 13.0376 13.1019 13.1019 13.4969 13.4969 13.8588 13.8588 13.9226 13.9226 14.0036 14.0036 15.8314 15.8314 16.1738 16.1738 18.3374 18.3374 18.5917 18.5917 20.4441 20.4441 k = 0.0000 0.4390-0.0000 ( 1896 PWs) bands (ev): -2.0398 -2.0398 -0.6871 -0.6871 -0.6577 -0.6577 0.1362 0.1362 0.1758 0.1758 0.1944 0.1944 5.6616 5.6616 8.7969 8.7969 9.1058 9.1058 9.1106 9.1106 9.6497 9.6497 11.4599 11.4599 11.4776 11.4776 11.4813 11.4813 12.3855 12.3855 12.6660 12.6660 12.9322 12.9322 13.0296 13.0296 13.0341 13.0341 13.1015 13.1015 13.4842 13.4842 13.8593 13.8593 13.9245 13.9245 14.0065 14.0065 15.8277 15.8277 16.1820 16.1820 18.3639 18.3639 18.6178 18.6178 20.4988 20.4988 k = 0.0000 0.4512-0.0000 ( 1896 PWs) bands (ev): -2.0331 -2.0331 -0.6870 -0.6870 -0.6572 -0.6572 0.1364 0.1364 0.1758 0.1758 0.1954 0.1954 5.6525 5.6525 8.8627 8.8627 9.1026 9.1026 9.1075 9.1075 9.5560 9.5560 11.4613 11.4613 11.4770 11.4770 11.4805 11.4805 12.4032 12.4032 12.6627 12.6627 12.9290 12.9290 13.0296 13.0296 13.0310 13.0310 13.1011 13.1011 13.4736 13.4736 13.8597 13.8597 13.9260 13.9260 14.0090 14.0090 15.8248 15.8248 16.1888 16.1888 18.3859 18.3859 18.6396 18.6396 20.5560 20.5560 k = 0.0000 0.4634-0.0000 ( 1896 PWs) bands (ev): -2.0277 -2.0277 -0.6869 -0.6869 -0.6569 -0.6569 0.1365 0.1365 0.1757 0.1757 0.1962 0.1962 5.6451 5.6451 8.9313 8.9313 9.1001 9.1001 9.1054 9.1054 9.4653 9.4653 11.4624 11.4624 11.4768 11.4768 11.4801 11.4801 12.4176 12.4176 12.6598 12.6598 12.9263 12.9263 13.0287 13.0287 13.0294 13.0294 13.1007 13.1007 13.4652 13.4652 13.8601 13.8601 13.9272 13.9272 14.0109 14.0109 15.8225 15.8225 16.1940 16.1940 18.4033 18.4033 18.6567 18.6567 20.6157 20.6157 k = 0.0000 0.4756-0.0000 ( 1888 PWs) bands (ev): -2.0239 -2.0239 -0.6868 -0.6868 -0.6566 -0.6566 0.1366 0.1366 0.1758 0.1758 0.1968 0.1968 5.6398 5.6398 9.0009 9.0009 9.0983 9.0983 9.1044 9.1044 9.3796 9.3796 11.4632 11.4632 11.4767 11.4767 11.4799 11.4799 12.4282 12.4282 12.6580 12.6580 12.9242 12.9242 13.0269 13.0269 13.0295 13.0295 13.1004 13.1004 13.4592 13.4592 13.8604 13.8604 13.9283 13.9283 14.0124 14.0124 15.8209 15.8209 16.1978 16.1978 18.4158 18.4158 18.6691 18.6691 20.6774 20.6774 k = 0.0000 0.4878-0.0000 ( 1888 PWs) bands (ev): -2.0216 -2.0216 -0.6867 -0.6867 -0.6564 -0.6564 0.1366 0.1366 0.1757 0.1757 0.1972 0.1972 5.6365 5.6365 9.0623 9.0623 9.0972 9.0972 9.1074 9.1074 9.3048 9.3048 11.4636 11.4636 11.4765 11.4765 11.4796 11.4796 12.4348 12.4348 12.6569 12.6569 12.9228 12.9228 13.0258 13.0258 13.0295 13.0295 13.1003 13.1003 13.4555 13.4555 13.8605 13.8605 13.9288 13.9288 14.0133 14.0133 15.8200 15.8200 16.2000 16.2000 18.4234 18.4234 18.6766 18.6766 20.7398 20.7398 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0208 -2.0208 -0.6867 -0.6867 -0.6564 -0.6564 0.1367 0.1367 0.1757 0.1757 0.1973 0.1973 5.6354 5.6354 9.0853 9.0853 9.0968 9.0968 9.1186 9.1186 9.2671 9.2671 11.4637 11.4637 11.4764 11.4764 11.4795 11.4795 12.4370 12.4370 12.6565 12.6565 12.9223 12.9223 13.0255 13.0255 13.0295 13.0295 13.1002 13.1002 13.4543 13.4543 13.8606 13.8606 13.9290 13.9290 14.0135 14.0135 15.8197 15.8197 16.2008 16.2008 18.4259 18.4259 18.6791 18.6791 20.7832 20.7832 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0208 -2.0208 -0.6867 -0.6867 -0.6564 -0.6564 0.1367 0.1367 0.1757 0.1757 0.1973 0.1973 5.6354 5.6354 9.0853 9.0853 9.0968 9.0968 9.1186 9.1186 9.2671 9.2671 11.4637 11.4637 11.4764 11.4764 11.4795 11.4795 12.4370 12.4370 12.6565 12.6565 12.9223 12.9223 13.0255 13.0255 13.0295 13.0295 13.1002 13.1002 13.4543 13.4543 13.8606 13.8606 13.9290 13.9290 14.0135 14.0135 15.8197 15.8197 16.2008 16.2008 18.4259 18.4259 18.6791 18.6791 20.7832 20.7832 k = 0.0122 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0203 -2.0203 -0.6866 -0.6866 -0.6563 -0.6563 0.1367 0.1367 0.1757 0.1757 0.1973 0.1973 5.6365 5.6365 9.0769 9.0769 9.0906 9.0906 9.1149 9.1149 9.2811 9.2811 11.4649 11.4649 11.4765 11.4765 11.4794 11.4794 12.4364 12.4364 12.6564 12.6564 12.9214 12.9214 13.0119 13.0119 13.0419 13.0419 13.1018 13.1018 13.4543 13.4543 13.8558 13.8558 13.9324 13.9324 14.0160 14.0160 15.8227 15.8227 16.1985 16.1985 18.4224 18.4224 18.6747 18.6747 20.7801 20.7801 k = 0.0244 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0189 -2.0189 -0.6865 -0.6865 -0.6562 -0.6562 0.1370 0.1370 0.1757 0.1757 0.1975 0.1975 5.6395 5.6395 9.0415 9.0415 9.0857 9.0857 9.1099 9.1099 9.3133 9.3133 11.4682 11.4682 11.4769 11.4769 11.4795 11.4795 12.4349 12.4349 12.6560 12.6560 12.9185 12.9185 12.9960 12.9960 13.0543 13.0543 13.1069 13.1069 13.4544 13.4544 13.8436 13.8436 13.9406 13.9406 14.0230 14.0230 15.8317 15.8317 16.1915 16.1915 18.4105 18.4105 18.6636 18.6636 20.7707 20.7707 k = 0.0366 0.5000-0.0000 ( 1892 PWs) bands (ev): -2.0164 -2.0164 -0.6862 -0.6862 -0.6559 -0.6559 0.1373 0.1373 0.1757 0.1757 0.1978 0.1978 5.6447 5.6447 8.9919 8.9919 9.0806 9.0806 9.1043 9.1043 9.3520 9.3520 11.4717 11.4717 11.4779 11.4779 11.4810 11.4810 12.4322 12.4322 12.6553 12.6553 12.9134 12.9134 12.9804 12.9804 13.0648 13.0648 13.1152 13.1152 13.4546 13.4546 13.8273 13.8273 13.9505 13.9505 14.0340 14.0340 15.8466 15.8466 16.1797 16.1797 18.3873 18.3873 18.6515 18.6515 20.7547 20.7547 k = 0.0488 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0130 -2.0130 -0.6858 -0.6858 -0.6555 -0.6555 0.1379 0.1379 0.1757 0.1757 0.1983 0.1983 5.6518 5.6518 8.9352 8.9352 9.0738 9.0738 9.0971 9.0971 9.3926 9.3926 11.4716 11.4716 11.4798 11.4798 11.4876 11.4876 12.4288 12.4288 12.6542 12.6542 12.9056 12.9056 12.9661 12.9661 13.0739 13.0739 13.1261 13.1261 13.4549 13.4549 13.8090 13.8090 13.9612 13.9612 14.0482 14.0482 15.8674 15.8674 16.1630 16.1630 18.3503 18.3503 18.6447 18.6447 20.7320 20.7320 k = 0.0610 0.5000-0.0000 ( 1892 PWs) bands (ev): -2.0087 -2.0087 -0.6854 -0.6854 -0.6551 -0.6551 0.1385 0.1385 0.1757 0.1757 0.1989 0.1989 5.6610 5.6610 8.8738 8.8738 9.0652 9.0652 9.0881 9.0881 9.4335 9.4335 11.4692 11.4692 11.4816 11.4816 11.4984 11.4984 12.4245 12.4245 12.6524 12.6524 12.8944 12.8944 12.9537 12.9537 13.0825 13.0825 13.1386 13.1386 13.4550 13.4550 13.7894 13.7894 13.9720 13.9720 14.0647 14.0647 15.8937 15.8937 16.1412 16.1412 18.3002 18.3002 18.6465 18.6465 20.7021 20.7021 k = 0.0732 0.5000-0.0000 ( 1886 PWs) bands (ev): -2.0034 -2.0034 -0.6848 -0.6848 -0.6545 -0.6545 0.1394 0.1394 0.1757 0.1757 0.1996 0.1996 5.6722 5.6722 8.8086 8.8086 9.0549 9.0549 9.0775 9.0775 9.4742 9.4742 11.4656 11.4656 11.4837 11.4837 11.5121 11.5121 12.4195 12.4195 12.6500 12.6500 12.8800 12.8800 12.9436 12.9436 13.0916 13.0916 13.1518 13.1518 13.4551 13.4551 13.7691 13.7691 13.9833 13.9833 14.0829 14.0829 15.9253 15.9253 16.1140 16.1140 18.2406 18.2406 18.6571 18.6571 20.6647 20.6647 k = 0.0854 0.5000-0.0000 ( 1886 PWs) bands (ev): -1.9973 -1.9973 -0.6842 -0.6842 -0.6537 -0.6537 0.1403 0.1403 0.1757 0.1757 0.2005 0.2005 5.6854 5.6854 8.7402 8.7402 9.0429 9.0429 9.0653 9.0653 9.5144 9.5144 11.4609 11.4609 11.4862 11.4862 11.5280 11.5280 12.4139 12.4139 12.6465 12.6465 12.8630 12.8630 12.9356 12.9356 13.1015 13.1015 13.1653 13.1653 13.4550 13.4550 13.7483 13.7483 13.9948 13.9948 14.1020 14.1020 15.9617 15.9617 16.0814 16.0814 18.1761 18.1761 18.6753 18.6753 20.6196 20.6196 k = 0.0976 0.5000-0.0000 ( 1882 PWs) bands (ev): -1.9903 -1.9903 -0.6835 -0.6835 -0.6529 -0.6529 0.1414 0.1414 0.1757 0.1757 0.2015 0.2015 5.7006 5.7006 8.6688 8.6688 9.0290 9.0290 9.0517 9.0517 9.5544 9.5544 11.4549 11.4549 11.4890 11.4890 11.5463 11.5463 12.4080 12.4080 12.6421 12.6421 12.8443 12.8443 12.9292 12.9292 13.1125 13.1125 13.1787 13.1787 13.4548 13.4548 13.7271 13.7271 14.0064 14.0064 14.1219 14.1219 16.0018 16.0018 16.0441 16.0441 18.1104 18.1104 18.7000 18.7000 20.5667 20.5667 k = 0.1098 0.5000-0.0000 ( 1894 PWs) bands (ev): -1.9825 -1.9825 -0.6828 -0.6828 -0.6519 -0.6519 0.1425 0.1425 0.1757 0.1757 0.2026 0.2026 5.7178 5.7178 8.5946 8.5946 9.0134 9.0134 9.0368 9.0368 9.5940 9.5940 11.4474 11.4474 11.4919 11.4919 11.5661 11.5661 12.4015 12.4015 12.6364 12.6364 12.8242 12.8242 12.9242 12.9242 13.1248 13.1248 13.1916 13.1916 13.4542 13.4542 13.7056 13.7056 14.0180 14.0180 14.1422 14.1422 15.9963 15.9963 16.0507 16.0507 18.0465 18.0465 18.7301 18.7301 20.5061 20.5061 k = 0.1220 0.5000-0.0000 ( 1898 PWs) bands (ev): -1.9739 -1.9739 -0.6820 -0.6820 -0.6508 -0.6508 0.1437 0.1437 0.1757 0.1757 0.2039 0.2039 5.7369 5.7369 8.5183 8.5183 8.9961 8.9961 9.0209 9.0209 9.6335 9.6335 11.4383 11.4383 11.4954 11.4954 11.5879 11.5879 12.3949 12.3949 12.6295 12.6295 12.8036 12.8036 12.9204 12.9204 13.1381 13.1381 13.2042 13.2042 13.4532 13.4532 13.6841 13.6841 14.0295 14.0295 14.1628 14.1628 15.9471 15.9471 16.0991 16.0991 17.9867 17.9867 18.7653 18.7653 20.4382 20.4382 k = 0.1341 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.9646 -1.9646 -0.6812 -0.6812 -0.6495 -0.6495 0.1451 0.1451 0.1757 0.1757 0.2054 0.2054 5.7579 5.7579 8.4399 8.4399 8.9771 8.9771 9.0042 9.0042 9.6732 9.6732 11.4278 11.4278 11.4992 11.4992 11.6114 11.6114 12.3886 12.3886 12.6215 12.6215 12.7824 12.7824 12.9180 12.9180 13.1529 13.1529 13.2163 13.2163 13.4517 13.4517 13.6626 13.6626 14.0412 14.0412 14.1838 14.1838 15.8917 15.8917 16.1517 16.1517 17.9322 17.9322 18.8050 18.8050 20.3636 20.3636 k = 0.1463 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.9546 -1.9546 -0.6804 -0.6804 -0.6480 -0.6480 0.1465 0.1465 0.1757 0.1757 0.2070 0.2070 5.7808 5.7808 8.3598 8.3598 8.9565 8.9565 8.9867 8.9867 9.7129 9.7129 11.4148 11.4148 11.5033 11.5033 11.6364 11.6364 12.3824 12.3824 12.6123 12.6123 12.7611 12.7611 12.9167 12.9167 13.1688 13.1688 13.2278 13.2278 13.4497 13.4497 13.6410 13.6410 14.0524 14.0524 14.2047 14.2047 15.8311 15.8311 16.2072 16.2072 17.8841 17.8841 18.8489 18.8489 20.2829 20.2829 k = 0.1585 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.9439 -1.9439 -0.6796 -0.6796 -0.6464 -0.6464 0.1479 0.1479 0.1757 0.1757 0.2088 0.2088 5.8056 5.8056 8.2784 8.2784 8.9343 8.9343 8.9687 8.9687 9.7527 9.7527 11.3998 11.3998 11.5077 11.5077 11.6628 11.6628 12.3765 12.3765 12.6022 12.6022 12.7396 12.7396 12.9166 12.9166 13.1857 13.1857 13.2388 13.2388 13.4471 13.4471 13.6193 13.6193 14.0632 14.0632 14.2257 14.2257 15.7658 15.7658 16.2652 16.2652 17.8427 17.8427 18.8970 18.8970 20.1971 20.1971 k = 0.1707 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.9328 -1.9328 -0.6787 -0.6787 -0.6447 -0.6447 0.1494 0.1494 0.1758 0.1758 0.2107 0.2107 5.8321 5.8321 8.1958 8.1958 8.9107 8.9107 8.9504 8.9504 9.7928 9.7928 11.3824 11.3824 11.5125 11.5125 11.6903 11.6903 12.3710 12.3710 12.5913 12.5913 12.7180 12.7180 12.9176 12.9176 13.2036 13.2036 13.2492 13.2492 13.4437 13.4437 13.5976 13.5976 14.0737 14.0737 14.2467 14.2467 15.6967 15.6967 16.3251 16.3251 17.8081 17.8081 18.9489 18.9489 20.1068 20.1068 k = 0.1829 0.5000-0.0000 ( 1888 PWs) bands (ev): -1.9211 -1.9211 -0.6779 -0.6779 -0.6427 -0.6427 0.1508 0.1508 0.1759 0.1759 0.2128 0.2128 5.8604 5.8604 8.1126 8.1126 8.8857 8.8857 8.9317 8.9317 9.8332 9.8332 11.3627 11.3627 11.5174 11.5174 11.7188 11.7188 12.3662 12.3662 12.5798 12.5798 12.6966 12.6966 12.9196 12.9196 13.2221 13.2221 13.2590 13.2590 13.4397 13.4397 13.5759 13.5759 14.0840 14.0840 14.2676 14.2676 15.6245 15.6245 16.3866 16.3866 17.7803 17.7803 19.0046 19.0046 20.0132 20.0132 k = 0.1951 0.5000-0.0000 ( 1888 PWs) bands (ev): -1.9089 -1.9089 -0.6772 -0.6772 -0.6406 -0.6406 0.1523 0.1523 0.1759 0.1759 0.2151 0.2151 5.8904 5.8904 8.0290 8.0290 8.8595 8.8595 8.9127 8.9127 9.8740 9.8740 11.3406 11.3406 11.5227 11.5227 11.7481 11.7481 12.3618 12.3618 12.5680 12.5680 12.6753 12.6753 12.9224 12.9224 13.2410 13.2410 13.2684 13.2684 13.4349 13.4349 13.5543 13.5543 14.0937 14.0937 14.2884 14.2884 15.5498 15.5498 16.4491 16.4491 17.7587 17.7587 19.0640 19.0640 19.9169 19.9169 k = 0.2073 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.8965 -1.8965 -0.6764 -0.6764 -0.6384 -0.6384 0.1538 0.1538 0.1761 0.1761 0.2175 0.2175 5.9220 5.9220 7.9454 7.9454 8.8321 8.8321 8.8937 8.8937 9.9151 9.9151 11.3160 11.3160 11.5281 11.5281 11.7781 11.7781 12.3580 12.3580 12.5560 12.5560 12.6542 12.6542 12.9258 12.9258 13.2596 13.2596 13.2777 13.2777 13.4295 13.4295 13.5325 13.5325 14.1030 14.1030 14.3090 14.3090 15.4737 15.4737 16.5122 16.5122 17.7431 17.7431 19.1267 19.1267 19.8187 19.8187 k = 0.2195 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.8837 -1.8837 -0.6757 -0.6757 -0.6360 -0.6360 0.1553 0.1553 0.1762 0.1762 0.2200 0.2200 5.9551 5.9551 7.8622 7.8622 8.8036 8.8036 8.8747 8.8747 9.9565 9.9565 11.2892 11.2892 11.5338 11.5338 11.8087 11.8087 12.3549 12.3549 12.5441 12.5441 12.6335 12.6335 12.9299 12.9299 13.2755 13.2755 13.2892 13.2892 13.4237 13.4237 13.5110 13.5110 14.1120 14.1120 14.3294 14.3294 15.3967 15.3967 16.5757 16.5757 17.7329 17.7329 19.1926 19.1926 19.7198 19.7198 k = 0.2317 0.5000-0.0000 ( 1890 PWs) bands (ev): -1.8707 -1.8707 -0.6751 -0.6751 -0.6335 -0.6335 0.1567 0.1567 0.1764 0.1764 0.2227 0.2227 5.9897 5.9897 7.7796 7.7796 8.7743 8.7743 8.8557 8.8557 9.9982 9.9982 11.2601 11.2601 11.5396 11.5396 11.8396 11.8396 12.3524 12.3524 12.5325 12.5325 12.6132 12.6132 12.9344 12.9344 13.2853 13.2853 13.3053 13.3053 13.4182 13.4182 13.4896 13.4896 14.1206 14.1206 14.3495 14.3495 15.3196 15.3196 16.6391 16.6391 17.7276 17.7276 19.2612 19.2612 19.6211 19.6211 k = 0.2439 0.5000-0.0000 ( 1894 PWs) bands (ev): -1.8575 -1.8575 -0.6744 -0.6744 -0.6308 -0.6308 0.1580 0.1580 0.1766 0.1766 0.2255 0.2255 6.0257 6.0257 7.6980 7.6980 8.7440 8.7440 8.8370 8.8370 10.0401 10.0401 11.2288 11.2288 11.5454 11.5454 11.8707 11.8707 12.3504 12.3504 12.5212 12.5212 12.5934 12.5934 12.9392 12.9392 13.2914 13.2914 13.3225 13.3225 13.4140 13.4140 13.4683 13.4683 14.1288 14.1288 14.3692 14.3692 15.2430 15.2430 16.7021 16.7021 17.7266 17.7266 19.3301 19.3301 19.5253 19.5253 k = 0.2561 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.8443 -1.8443 -0.6738 -0.6738 -0.6281 -0.6281 0.1594 0.1594 0.1769 0.1769 0.2284 0.2284 6.0629 6.0629 7.6177 7.6177 8.7129 8.7129 8.8187 8.8187 10.0822 10.0822 11.1957 11.1957 11.5516 11.5516 11.9020 11.9020 12.3488 12.3488 12.5105 12.5105 12.5742 12.5742 12.9443 12.9443 13.2952 13.2952 13.3371 13.3371 13.4134 13.4134 13.4472 13.4472 14.1366 14.1366 14.3884 14.3884 15.1675 15.1675 16.7648 16.7648 17.7295 17.7295 19.3739 19.3739 19.4586 19.4586 k = 0.2683 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.8311 -1.8311 -0.6732 -0.6732 -0.6252 -0.6252 0.1606 0.1606 0.1772 0.1772 0.2313 0.2313 6.1013 6.1013 7.5391 7.5391 8.6812 8.6812 8.8006 8.8006 10.1242 10.1242 11.1610 11.1610 11.5579 11.5579 11.9331 11.9331 12.3478 12.3478 12.5003 12.5003 12.5558 12.5558 12.9494 12.9494 13.2964 13.2964 13.3462 13.3462 13.4183 13.4183 13.4274 13.4274 14.1442 14.1442 14.4074 14.4074 15.0935 15.0935 16.8265 16.8265 17.7357 17.7357 19.3076 19.3076 19.5061 19.5061 k = 0.2805 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.8181 -1.8181 -0.6727 -0.6727 -0.6223 -0.6223 0.1618 0.1618 0.1775 0.1775 0.2344 0.2344 6.1407 6.1407 7.4625 7.4625 8.6489 8.6489 8.7830 8.7830 10.1661 10.1661 11.1251 11.1251 11.5642 11.5642 11.9640 11.9640 12.3471 12.3471 12.4905 12.4905 12.5387 12.5387 12.9546 12.9546 13.2943 13.2943 13.3500 13.3500 13.4046 13.4046 13.4339 13.4339 14.1515 14.1515 14.4258 14.4258 15.0214 15.0214 16.8873 16.8873 17.7448 17.7448 19.2148 19.2148 19.5846 19.5846 k = 0.2927 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.8052 -1.8052 -0.6722 -0.6722 -0.6193 -0.6193 0.1630 0.1630 0.1779 0.1779 0.2374 0.2374 6.1809 6.1809 7.3881 7.3881 8.6161 8.6161 8.7659 8.7659 10.2076 10.2076 11.0881 11.0881 11.5706 11.5706 11.9946 11.9946 12.3467 12.3467 12.4808 12.4808 12.5230 12.5230 12.9596 12.9596 13.2883 13.2883 13.3512 13.3512 13.3842 13.3842 13.4524 13.4524 14.1584 14.1584 14.4437 14.4437 14.9514 14.9514 16.9469 16.9469 17.7563 17.7563 19.1208 19.1208 19.6690 19.6690 k = 0.3049 0.5000-0.0000 ( 1892 PWs) bands (ev): -1.7925 -1.7925 -0.6717 -0.6717 -0.6163 -0.6163 0.1640 0.1640 0.1783 0.1783 0.2405 0.2405 6.2217 6.2217 7.3164 7.3164 8.5829 8.5829 8.7494 8.7494 10.2486 10.2486 11.0506 11.0506 11.5769 11.5769 12.0246 12.0246 12.3465 12.3465 12.4707 12.4707 12.5096 12.5096 12.9646 12.9646 13.2785 13.2785 13.3522 13.3522 13.3639 13.3639 13.4740 13.4740 14.1650 14.1650 14.4610 14.4610 14.8840 14.8840 17.0055 17.0055 17.7698 17.7698 19.0281 19.0281 19.7572 19.7572 k = 0.3171 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7802 -1.7802 -0.6712 -0.6712 -0.6133 -0.6133 0.1650 0.1650 0.1787 0.1787 0.2435 0.2435 6.2630 6.2630 7.2474 7.2474 8.5494 8.5494 8.7336 8.7336 10.2890 10.2890 11.0127 11.0127 11.5832 11.5832 12.0540 12.0540 12.3464 12.3464 12.4597 12.4597 12.4990 12.4990 12.9692 12.9692 13.2655 13.2655 13.3434 13.3434 13.3538 13.3538 13.4972 13.4972 14.1712 14.1712 14.4774 14.4774 14.8192 14.8192 17.0628 17.0628 17.7850 17.7850 18.9373 18.9373 19.8485 19.8485 k = 0.3293 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7683 -1.7683 -0.6708 -0.6708 -0.6103 -0.6103 0.1659 0.1659 0.1792 0.1792 0.2466 0.2466 6.3045 6.3045 7.1815 7.1815 8.5158 8.5158 8.7185 8.7185 10.3284 10.3284 10.9751 10.9751 11.5895 11.5895 12.0825 12.0825 12.3465 12.3465 12.4477 12.4477 12.4914 12.4914 12.9736 12.9736 13.2502 13.2502 13.3237 13.3237 13.3558 13.3558 13.5214 13.5214 14.1770 14.1770 14.4928 14.4928 14.7575 14.7575 17.1188 17.1188 17.8013 17.8013 18.8488 18.8488 19.9427 19.9427 k = 0.3415 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7569 -1.7569 -0.6704 -0.6704 -0.6073 -0.6073 0.1668 0.1668 0.1797 0.1797 0.2495 0.2495 6.3460 6.3460 7.1190 7.1190 8.4823 8.4823 8.7043 8.7043 10.3667 10.3667 10.9380 10.9380 11.5957 11.5957 12.1100 12.1100 12.3468 12.3468 12.4352 12.4352 12.4864 12.4864 12.9775 12.9775 13.2333 13.2333 13.3043 13.3043 13.3580 13.3580 13.5461 13.5461 14.1824 14.1824 14.5070 14.5070 14.6991 14.6991 17.1737 17.1737 17.8185 17.8185 18.7630 18.7630 20.0397 20.0397 k = 0.3537 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7460 -1.7460 -0.6701 -0.6701 -0.6044 -0.6044 0.1676 0.1676 0.1802 0.1802 0.2524 0.2524 6.3871 6.3871 7.0602 7.0602 8.4490 8.4490 8.6908 8.6908 10.4035 10.4035 10.9020 10.9020 11.6017 11.6017 12.1363 12.1363 12.3472 12.3472 12.4227 12.4227 12.4834 12.4834 12.9809 12.9809 13.2155 13.2155 13.2854 13.2854 13.3604 13.3604 13.5711 13.5711 14.1874 14.1874 14.5190 14.5190 14.6451 14.6451 17.2274 17.2274 17.8363 17.8363 18.6799 18.6799 20.1392 20.1392 k = 0.3659 0.5000-0.0000 ( 1900 PWs) bands (ev): -1.7357 -1.7357 -0.6698 -0.6698 -0.6017 -0.6017 0.1683 0.1683 0.1807 0.1807 0.2551 0.2551 6.4276 6.4276 7.0051 7.0051 8.4161 8.4161 8.6783 8.6783 10.4387 10.4387 10.8672 10.8672 11.6075 11.6075 12.1610 12.1610 12.3478 12.3478 12.4106 12.4106 12.4819 12.4819 12.9837 12.9837 13.1973 13.1973 13.2671 13.2671 13.3625 13.3625 13.5962 13.5962 14.1917 14.1917 14.5255 14.5255 14.5987 14.5987 17.2800 17.2800 17.8541 17.8541 18.5997 18.5997 20.2410 20.2410 k = 0.3780 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7261 -1.7261 -0.6694 -0.6694 -0.5990 -0.5990 0.1689 0.1689 0.1812 0.1812 0.2578 0.2578 6.4669 6.4669 6.9541 6.9541 8.3841 8.3841 8.6667 8.6667 10.4718 10.4718 10.8343 10.8343 11.6131 11.6131 12.1845 12.1845 12.3488 12.3488 12.3994 12.3994 12.4816 12.4816 12.9857 12.9857 13.1793 13.1793 13.2497 13.2497 13.3648 13.3648 13.6214 13.6214 14.1955 14.1955 14.5128 14.5128 14.5738 14.5738 17.3315 17.3315 17.8716 17.8716 18.5225 18.5225 20.3451 20.3451 k = 0.3902 0.5000-0.0000 ( 1896 PWs) bands (ev): -1.7173 -1.7173 -0.6692 -0.6692 -0.5965 -0.5965 0.1695 0.1695 0.1817 0.1817 0.2602 0.2602 6.5048 6.5048 6.9074 6.9074 8.3530 8.3530 8.6561 8.6561 10.5028 10.5028 10.8036 10.8036 11.6182 11.6182 12.2058 12.2058 12.3500 12.3500 12.3893 12.3893 12.4822 12.4822 12.9869 12.9869 13.1618 13.1618 13.2332 13.2332 13.3667 13.3667 13.6463 13.6463 14.1984 14.1984 14.4774 14.4774 14.5739 14.5739 17.3822 17.3822 17.8886 17.8886 18.4485 18.4485 20.4511 20.4511 k = 0.4024 0.5000-0.0000 ( 1906 PWs) bands (ev): -1.7093 -1.7093 -0.6689 -0.6689 -0.5942 -0.5942 0.1699 0.1699 0.1821 0.1821 0.2625 0.2625 6.5408 6.5408 6.8650 6.8650 8.3235 8.3235 8.6465 8.6465 10.5308 10.5308 10.7755 10.7755 11.6230 11.6230 12.2248 12.2248 12.3514 12.3514 12.3804 12.3804 12.4833 12.4833 12.9869 12.9869 13.1453 13.1453 13.2177 13.2177 13.3684 13.3684 13.6707 13.6707 14.2003 14.2003 14.4376 14.4376 14.5809 14.5809 17.4319 17.4319 17.9044 17.9044 18.3776 18.3776 20.5587 20.5587 k = 0.4146 0.5000-0.0000 ( 1910 PWs) bands (ev): -1.7020 -1.7020 -0.6687 -0.6687 -0.5920 -0.5920 0.1704 0.1704 0.1826 0.1826 0.2645 0.2645 6.5743 6.5743 6.8274 6.8274 8.2957 8.2957 8.6380 8.6380 10.5558 10.5558 10.7505 10.7505 11.6275 11.6275 12.2414 12.2414 12.3529 12.3529 12.3733 12.3733 12.4849 12.4849 12.9860 12.9860 13.1303 13.1303 13.2035 13.2035 13.3700 13.3700 13.6946 13.6946 14.2010 14.2010 14.4000 14.4000 14.5889 14.5889 17.4807 17.4807 17.9190 17.9190 18.3101 18.3101 20.6675 20.6675 k = 0.4268 0.5000-0.0000 ( 1906 PWs) bands (ev): -1.6957 -1.6957 -0.6685 -0.6685 -0.5901 -0.5901 0.1708 0.1708 0.1830 0.1830 0.2663 0.2663 6.6048 6.6048 6.7946 6.7946 8.2703 8.2703 8.6305 8.6305 10.5773 10.5773 10.7290 10.7290 11.6314 11.6314 12.2552 12.2552 12.3548 12.3548 12.3682 12.3682 12.4869 12.4869 12.9839 12.9839 13.1175 13.1175 13.1908 13.1908 13.3715 13.3715 13.7176 13.7176 14.2002 14.2002 14.3665 14.3665 14.5964 14.5964 17.5289 17.5289 17.9317 17.9317 18.2462 18.2462 20.7769 20.7769 k = 0.4390 0.5000-0.0000 ( 1902 PWs) bands (ev): -1.6903 -1.6903 -0.6684 -0.6684 -0.5885 -0.5885 0.1711 0.1711 0.1834 0.1834 0.2679 0.2679 6.6316 6.6316 6.7668 6.7668 8.2476 8.2476 8.6242 8.6242 10.5947 10.5947 10.7118 10.7118 11.6349 11.6349 12.2660 12.2660 12.3566 12.3566 12.3650 12.3650 12.4889 12.4889 12.9809 12.9809 13.1070 13.1070 13.1797 13.1797 13.3727 13.3727 13.7391 13.7391 14.1974 14.1974 14.3381 14.3381 14.6030 14.6030 17.5761 17.5761 17.9418 17.9418 18.1866 18.1866 20.8856 20.8856 k = 0.4512 0.5000-0.0000 ( 1902 PWs) bands (ev): -1.6858 -1.6858 -0.6682 -0.6682 -0.5871 -0.5871 0.1714 0.1714 0.1837 0.1837 0.2692 0.2692 6.6541 6.6541 6.7444 6.7444 8.2282 8.2282 8.6190 8.6190 10.6072 10.6072 10.6993 10.6993 11.6378 11.6378 12.2737 12.2737 12.3582 12.3582 12.3638 12.3638 12.4908 12.4908 12.9772 12.9772 13.0988 13.0988 13.1702 13.1702 13.3737 13.3737 13.7586 13.7586 14.1923 14.1923 14.3157 14.3157 14.6086 14.6086 17.6222 17.6222 17.9485 17.9485 18.1323 18.1323 20.9919 20.9919 k = 0.4634 0.5000-0.0000 ( 1906 PWs) bands (ev): -1.6823 -1.6823 -0.6681 -0.6681 -0.5860 -0.5860 0.1715 0.1715 0.1839 0.1839 0.2703 0.2703 6.6710 6.6710 6.7278 6.7278 8.2125 8.2125 8.6149 8.6149 10.6147 10.6147 10.6919 10.6919 11.6400 11.6400 12.2786 12.2786 12.3593 12.3593 12.3642 12.3642 12.4925 12.4925 12.9734 12.9734 13.0930 13.0930 13.1626 13.1626 13.3744 13.3744 13.7752 13.7752 14.1855 14.1855 14.2996 14.2996 14.6129 14.6129 17.6663 17.6663 17.9498 17.9498 18.0859 18.0859 21.0925 21.0925 k = 0.4756 0.5000-0.0000 ( 1922 PWs) bands (ev): -1.6798 -1.6798 -0.6681 -0.6681 -0.5853 -0.5853 0.1716 0.1716 0.1840 0.1840 0.2710 0.2710 6.6814 6.6814 6.7179 6.7179 8.2009 8.2009 8.6118 8.6118 10.6177 10.6177 10.6887 10.6887 11.6415 11.6415 12.2813 12.2813 12.3599 12.3599 12.3652 12.3652 12.4936 12.4936 12.9702 12.9702 13.0888 13.0888 13.1569 13.1569 13.3748 13.3748 13.7880 13.7880 14.1783 14.1783 14.2893 14.2893 14.6159 14.6159 17.7063 17.7063 17.9430 17.9430 18.0519 18.0519 21.1810 21.1810 k = 0.4878 0.5000-0.0000 ( 1924 PWs) bands (ev): -1.6782 -1.6782 -0.6681 -0.6681 -0.5848 -0.5848 0.1717 0.1717 0.1841 0.1841 0.2714 0.2714 6.6849 6.6849 6.7149 6.7149 8.1939 8.1939 8.6101 8.6101 10.6185 10.6185 10.6880 10.6880 11.6425 11.6425 12.2827 12.2827 12.3605 12.3605 12.3661 12.3661 12.4945 12.4945 12.9680 12.9680 13.0865 13.0865 13.1535 13.1535 13.3751 13.3751 13.7962 13.7962 14.1729 14.1729 14.2838 14.2838 14.6179 14.6179 17.7374 17.7374 17.9297 17.9297 18.0336 18.0336 21.2459 21.2459 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -1.6777 -1.6777 -0.6681 -0.6681 -0.5846 -0.5846 0.1718 0.1718 0.1841 0.1841 0.2716 0.2716 6.6853 6.6853 6.7148 6.7148 8.1915 8.1915 8.6095 8.6095 10.6185 10.6185 10.6880 10.6880 11.6429 11.6429 12.2832 12.2832 12.3607 12.3607 12.3665 12.3665 12.4947 12.4947 12.9672 12.9672 13.0858 13.0858 13.1524 13.1524 13.3752 13.3752 13.7990 13.7990 14.1709 14.1709 14.2821 14.2821 14.6185 14.6185 17.7501 17.7501 17.9221 17.9221 18.0285 18.0285 21.2706 21.2706 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -1.6777 -1.6777 -0.6681 -0.6681 -0.5846 -0.5846 0.1718 0.1718 0.1841 0.1841 0.2716 0.2716 6.6853 6.6853 6.7148 6.7148 8.1915 8.1915 8.6095 8.6095 10.6185 10.6185 10.6880 10.6880 11.6429 11.6429 12.2832 12.2832 12.3607 12.3607 12.3665 12.3665 12.4947 12.4947 12.9672 12.9672 13.0858 13.0858 13.1524 13.1524 13.3752 13.3752 13.7990 13.7990 14.1709 14.1709 14.2821 14.2821 14.6185 14.6185 17.7501 17.7501 17.9221 17.9221 18.0285 18.0285 21.2706 21.2706 k = 0.4914 0.4914-0.0000 ( 1924 PWs) bands (ev): -1.6782 -1.6782 -0.6681 -0.6681 -0.5848 -0.5848 0.1717 0.1717 0.1841 0.1841 0.2714 0.2714 6.6851 6.6851 6.7148 6.7148 8.1939 8.1939 8.6101 8.6101 10.6185 10.6185 10.6880 10.6880 11.6425 11.6425 12.2827 12.2827 12.3605 12.3605 12.3662 12.3662 12.4945 12.4945 12.9680 12.9680 13.0865 13.0865 13.1535 13.1535 13.3751 13.3751 13.7962 13.7962 14.1729 14.1729 14.2838 14.2838 14.6179 14.6179 17.7374 17.7374 17.9297 17.9297 18.0336 18.0336 21.2459 21.2459 k = 0.4828 0.4828-0.0000 ( 1920 PWs) bands (ev): -1.6798 -1.6798 -0.6681 -0.6681 -0.5853 -0.5853 0.1717 0.1717 0.1840 0.1840 0.2710 0.2710 6.6838 6.6838 6.7156 6.7156 8.2010 8.2010 8.6118 8.6118 10.6185 10.6185 10.6881 10.6881 11.6415 11.6415 12.2814 12.2814 12.3599 12.3599 12.3652 12.3652 12.4937 12.4937 12.9703 12.9703 13.0887 13.0887 13.1569 13.1569 13.3748 13.3748 13.7880 13.7880 14.1785 14.1785 14.2892 14.2892 14.6159 14.6159 17.7063 17.7063 17.9434 17.9434 18.0515 18.0515 21.1809 21.1809 k = 0.4741 0.4741-0.0000 ( 1910 PWs) bands (ev): -1.6823 -1.6823 -0.6682 -0.6682 -0.5860 -0.5860 0.1715 0.1715 0.1839 0.1839 0.2703 0.2703 6.6795 6.6795 6.7192 6.7192 8.2126 8.2126 8.6148 8.6148 10.6182 10.6182 10.6886 10.6886 11.6400 11.6400 12.2789 12.2789 12.3586 12.3586 12.3642 12.3642 12.4925 12.4925 12.9741 12.9741 13.0925 13.0925 13.1625 13.1625 13.3743 13.3743 13.7751 13.7751 14.1862 14.1862 14.2989 14.2989 14.6129 14.6129 17.6663 17.6663 17.9509 17.9509 18.0848 18.0848 21.0918 21.0918 k = 0.4655 0.4655-0.0000 ( 1904 PWs) bands (ev): -1.6858 -1.6858 -0.6682 -0.6682 -0.5871 -0.5871 0.1713 0.1713 0.1836 0.1836 0.2692 0.2692 6.6711 6.6711 6.7267 6.7267 8.2285 8.2285 8.6189 8.6189 10.6172 10.6172 10.6901 10.6901 11.6378 11.6378 12.2746 12.2746 12.3565 12.3565 12.3637 12.3637 12.4910 12.4910 12.9792 12.9792 13.0977 13.0977 13.1700 13.1700 13.3737 13.3737 13.7584 13.7584 14.1942 14.1942 14.3136 14.3136 14.6086 14.6086 17.6224 17.6224 17.9507 17.9507 18.1300 18.1300 20.9902 20.9902 k = 0.4569 0.4569-0.0000 ( 1908 PWs) bands (ev): -1.6904 -1.6904 -0.6684 -0.6684 -0.5885 -0.5885 0.1711 0.1711 0.1833 0.1833 0.2679 0.2679 6.6591 6.6591 6.7378 6.7378 8.2484 8.2484 8.6241 8.6241 10.6150 10.6150 10.6930 10.6930 11.6348 11.6348 12.2682 12.2682 12.3536 12.3536 12.3639 12.3639 12.4894 12.4894 12.9853 12.9853 13.1040 13.1040 13.1793 13.1793 13.3728 13.3728 13.7388 13.7388 14.2013 14.2013 14.3335 14.3335 14.6030 14.6030 17.5768 17.5768 17.9450 17.9450 18.1828 18.1828 20.8823 20.8823 k = 0.4483 0.4483-0.0000 ( 1908 PWs) bands (ev): -1.6960 -1.6960 -0.6685 -0.6685 -0.5902 -0.5902 0.1707 0.1707 0.1830 0.1830 0.2663 0.2663 6.6441 6.6441 6.7523 6.7523 8.2718 8.2718 8.6305 8.6305 10.6117 10.6117 10.6979 10.6979 11.6312 11.6312 12.2592 12.2592 12.3500 12.3500 12.3653 12.3653 12.4880 12.4880 12.9925 12.9925 13.1118 13.1118 13.1903 13.1903 13.3717 13.3717 13.7172 13.7172 14.2070 14.2070 14.3586 14.3586 14.5963 14.5963 17.5304 17.5304 17.9357 17.9357 18.2408 18.2408 20.7714 20.7714 k = 0.4397 0.4397-0.0000 ( 1904 PWs) bands (ev): -1.7026 -1.7026 -0.6687 -0.6687 -0.5921 -0.5921 0.1704 0.1704 0.1826 0.1826 0.2644 0.2644 6.6268 6.6268 6.7700 6.7700 8.2983 8.2983 8.6379 8.6379 10.6074 10.6074 10.7051 10.7051 11.6272 11.6272 12.2479 12.2479 12.3455 12.3455 12.3682 12.3682 12.4871 12.4871 13.0002 13.0002 13.1208 13.1208 13.2029 13.2029 13.3706 13.3706 13.6941 13.6941 14.2112 14.2112 14.3879 14.3879 14.5888 14.5888 17.4837 17.4837 17.9234 17.9234 18.3029 18.3029 20.6592 20.6592 k = 0.4310 0.4310-0.0000 ( 1904 PWs) bands (ev): -1.7102 -1.7102 -0.6689 -0.6689 -0.5942 -0.5942 0.1699 0.1699 0.1822 0.1822 0.2623 0.2623 6.6075 6.6075 6.7904 6.7904 8.3274 8.3274 8.6465 8.6465 10.6024 10.6024 10.7143 10.7143 11.6225 11.6225 12.2340 12.2340 12.3399 12.3399 12.3724 12.3724 12.4870 12.4870 13.0085 13.0085 13.1312 13.1312 13.2165 13.2165 13.3693 13.3693 13.6700 13.6700 14.2142 14.2142 14.4204 14.4204 14.5806 14.5806 17.4370 17.4370 17.9086 17.9086 18.3686 18.3686 20.5469 20.5469 k = 0.4224 0.4224-0.0000 ( 1901 PWs) bands (ev): -1.7189 -1.7189 -0.6692 -0.6692 -0.5966 -0.5966 0.1694 0.1694 0.1818 0.1818 0.2599 0.2599 6.5865 6.5865 6.8138 6.8138 8.3585 8.3585 8.6561 8.6561 10.5972 10.5972 10.7255 10.7255 11.6174 11.6174 12.2180 12.2180 12.3331 12.3331 12.3781 12.3781 12.4879 12.4879 13.0170 13.0170 13.1428 13.1428 13.2311 13.2311 13.3680 13.3680 13.6455 13.6455 14.2164 14.2164 14.4544 14.4544 14.5725 14.5725 17.3904 17.3904 17.8916 17.8916 18.4377 18.4377 20.4349 20.4349 k = 0.4138 0.4138-0.0000 ( 1889 PWs) bands (ev): -1.7285 -1.7285 -0.6695 -0.6695 -0.5991 -0.5991 0.1688 0.1688 0.1813 0.1813 0.2574 0.2574 6.5643 6.5643 6.8398 6.8398 8.3912 8.3912 8.6668 8.6668 10.5924 10.5924 10.7386 10.7386 11.6120 11.6120 12.2003 12.2003 12.3251 12.3251 12.3852 12.3852 12.4900 12.4900 13.0254 13.0254 13.1555 13.1555 13.2465 13.2465 13.3668 13.3668 13.6208 13.6208 14.2180 14.2180 14.4873 14.4873 14.5669 14.5669 17.3441 17.3441 17.8724 17.8724 18.5102 18.5102 20.3238 20.3238 k = 0.4052 0.4052-0.0000 ( 1881 PWs) bands (ev): -1.7391 -1.7391 -0.6698 -0.6698 -0.6018 -0.6018 0.1681 0.1681 0.1809 0.1809 0.2547 0.2547 6.5411 6.5411 6.8685 6.8685 8.4251 8.4251 8.6786 8.6786 10.5886 10.5886 10.7536 10.7536 11.6061 11.6061 12.1808 12.1808 12.3156 12.3156 12.3932 12.3932 12.4933 12.4933 13.0335 13.0335 13.1694 13.1694 13.2623 13.2623 13.3657 13.3657 13.5960 13.5960 14.2191 14.2191 14.5096 14.5096 14.5728 14.5728 17.2981 17.2981 17.8513 17.8513 18.5863 18.5863 20.2138 20.2138 k = 0.3966 0.3966-0.0000 ( 1881 PWs) bands (ev): -1.7508 -1.7508 -0.6701 -0.6701 -0.6047 -0.6047 0.1674 0.1674 0.1804 0.1804 0.2517 0.2517 6.5170 6.5170 6.8999 6.8999 8.4595 8.4595 8.6913 8.6913 10.5861 10.5861 10.7700 10.7700 11.5997 11.5997 12.1601 12.1601 12.3048 12.3048 12.4022 12.4022 12.4978 12.4978 13.0410 13.0410 13.1841 13.1841 13.2781 13.2781 13.3649 13.3649 13.5714 13.5714 14.2196 14.2196 14.5113 14.5113 14.5998 14.5998 17.2525 17.2525 17.8280 17.8280 18.6658 18.6658 20.1050 20.1050 k = 0.3879 0.3879-0.0000 ( 1889 PWs) bands (ev): -1.7634 -1.7634 -0.6705 -0.6705 -0.6077 -0.6077 0.1666 0.1666 0.1799 0.1799 0.2485 0.2485 6.4923 6.4923 6.9338 6.9338 8.4940 8.4940 8.7048 8.7048 10.5855 10.5855 10.7879 10.7879 11.5929 11.5929 12.1381 12.1381 12.2927 12.2927 12.4120 12.4120 12.5035 12.5035 13.0478 13.0478 13.1994 13.1994 13.2932 13.2932 13.3649 13.3649 13.5475 13.5475 14.2198 14.2198 14.5018 14.5018 14.6383 14.6383 17.2071 17.2071 17.8027 17.8027 18.7490 18.7490 19.9975 19.9975 k = 0.3793 0.3793-0.0000 ( 1889 PWs) bands (ev): -1.7770 -1.7770 -0.6709 -0.6709 -0.6108 -0.6108 0.1657 0.1657 0.1795 0.1795 0.2451 0.2451 6.4672 6.4672 6.9703 6.9703 8.5284 8.5284 8.7194 8.7194 10.5874 10.5874 10.8072 10.8072 11.5859 11.5859 12.1153 12.1153 12.2796 12.2796 12.4227 12.4227 12.5106 12.5106 13.0535 13.0535 13.2155 13.2155 13.3069 13.3069 13.3665 13.3665 13.5246 13.5246 14.2197 14.2197 14.4884 14.4884 14.6809 14.6809 17.1623 17.1623 17.7757 17.7757 18.8360 18.8360 19.8915 19.8915 k = 0.3707 0.3707-0.0000 ( 1895 PWs) bands (ev): -1.7915 -1.7915 -0.6714 -0.6714 -0.6140 -0.6140 0.1648 0.1648 0.1791 0.1791 0.2416 0.2416 6.4417 6.4417 7.0093 7.0093 8.5620 8.5620 8.7347 8.7347 10.5920 10.5920 10.8278 10.8278 11.5786 11.5786 12.0918 12.0918 12.2654 12.2654 12.4340 12.4340 12.5190 12.5190 13.0579 13.0579 13.2320 13.2320 13.3175 13.3175 13.3709 13.3709 13.5029 13.5029 14.2192 14.2192 14.4732 14.4732 14.7256 14.7256 17.1179 17.1179 17.7468 17.7468 18.9267 18.9267 19.7870 19.7870 k = 0.3621 0.3621-0.0000 ( 1895 PWs) bands (ev): -1.8069 -1.8069 -0.6719 -0.6719 -0.6172 -0.6172 0.1638 0.1638 0.1787 0.1787 0.2381 0.2381 6.4161 6.4161 7.0508 7.0508 8.5948 8.5948 8.7508 8.7508 10.5996 10.5996 10.8496 10.8496 11.5711 11.5711 12.0677 12.0677 12.2504 12.2504 12.4461 12.4461 12.5285 12.5285 13.0610 13.0610 13.2488 13.2488 13.3240 13.3240 13.3790 13.3790 13.4836 13.4836 14.2184 14.2184 14.4566 14.4566 14.7714 14.7714 17.0741 17.0741 17.7164 17.7164 19.0212 19.0212 19.6842 19.6842 k = 0.3534 0.3534-0.0000 ( 1893 PWs) bands (ev): -1.8231 -1.8231 -0.6724 -0.6724 -0.6204 -0.6204 0.1628 0.1628 0.1783 0.1783 0.2344 0.2344 6.3904 6.3904 7.0946 7.0946 8.6263 8.6263 8.7678 8.7678 10.6106 10.6106 10.8727 10.8727 11.5634 11.5634 12.0431 12.0431 12.2346 12.2346 12.4587 12.4587 12.5393 12.5393 13.0625 13.0625 13.2655 13.2655 13.3266 13.3266 13.3898 13.3898 13.4675 13.4675 14.2172 14.2172 14.4392 14.4392 14.8179 14.8179 17.0308 17.0308 17.6844 17.6844 19.1195 19.1195 19.5833 19.5833 k = 0.3448 0.3448-0.0000 ( 1893 PWs) bands (ev): -1.8402 -1.8402 -0.6730 -0.6730 -0.6237 -0.6237 0.1617 0.1617 0.1779 0.1779 0.2306 0.2306 6.3647 6.3647 7.1408 7.1408 8.6564 8.6564 8.7855 8.7855 10.6251 10.6251 10.8968 10.8968 11.5556 11.5556 12.0181 12.0181 12.2180 12.2180 12.4719 12.4719 12.5511 12.5511 13.0623 13.0623 13.2811 13.2811 13.3264 13.3264 13.4007 13.4007 13.4569 13.4569 14.2157 14.2157 14.4210 14.4210 14.8650 14.8650 16.9882 16.9882 17.6509 17.6509 19.2205 19.2205 19.4851 19.4851 k = 0.3362 0.3362-0.0000 ( 1875 PWs) bands (ev): -1.8581 -1.8581 -0.6735 -0.6735 -0.6268 -0.6268 0.1606 0.1606 0.1777 0.1777 0.2268 0.2268 6.3391 6.3391 7.1894 7.1894 8.6851 8.6851 8.8040 8.8040 10.6433 10.6433 10.9220 10.9220 11.5479 11.5479 11.9930 11.9930 12.2010 12.2010 12.4859 12.4859 12.5642 12.5642 13.0603 13.0603 13.2949 13.2949 13.3249 13.3249 13.4085 13.4085 13.4554 13.4554 14.2139 14.2139 14.4023 14.4023 14.9124 14.9124 16.9462 16.9462 17.6162 17.6162 19.3145 19.3145 19.3997 19.3997 k = 0.3276 0.3276-0.0000 ( 1881 PWs) bands (ev): -1.8767 -1.8767 -0.6742 -0.6742 -0.6300 -0.6300 0.1595 0.1595 0.1773 0.1773 0.2228 0.2228 6.3136 6.3136 7.2400 7.2400 8.7120 8.7120 8.8229 8.8229 10.6650 10.6650 10.9479 10.9479 11.5398 11.5398 11.9675 11.9675 12.1832 12.1832 12.5001 12.5001 12.5781 12.5781 13.0560 13.0560 13.3038 13.3038 13.3234 13.3234 13.4127 13.4127 13.4632 13.4632 14.2114 14.2114 14.3830 14.3830 14.9600 14.9600 16.9048 16.9048 17.5802 17.5802 19.2772 19.2772 19.4511 19.4511 k = 0.3190 0.3190-0.0000 ( 1885 PWs) bands (ev): -1.8961 -1.8961 -0.6748 -0.6748 -0.6332 -0.6332 0.1583 0.1583 0.1771 0.1771 0.2189 0.2189 6.2882 6.2882 7.2928 7.2928 8.7372 8.7372 8.8424 8.8424 10.6903 10.6903 10.9747 10.9747 11.5318 11.5318 11.9419 11.9419 12.1650 12.1650 12.5148 12.5148 12.5928 12.5928 13.0501 13.0501 13.3051 13.3051 13.3243 13.3243 13.4184 13.4184 13.4768 13.4768 14.2084 14.2084 14.3633 14.3633 15.0076 15.0076 16.8642 16.8642 17.5431 17.5431 19.1856 19.1856 19.5626 19.5626 k = 0.3103 0.3103-0.0000 ( 1887 PWs) bands (ev): -1.9160 -1.9160 -0.6755 -0.6755 -0.6363 -0.6363 0.1571 0.1571 0.1768 0.1768 0.2148 0.2148 6.2630 6.2630 7.3477 7.3477 8.7609 8.7609 8.8624 8.8624 10.7189 10.7189 11.0021 11.0021 11.5237 11.5237 11.9164 11.9164 12.1462 12.1462 12.5300 12.5300 12.6084 12.6084 13.0424 13.0424 13.3007 13.3007 13.3259 13.3259 13.4287 13.4287 13.4927 13.4927 14.2049 14.2049 14.3434 14.3434 15.0552 15.0552 16.8244 16.8244 17.5051 17.5051 19.0926 19.0926 19.6811 19.6811 k = 0.3017 0.3017-0.0000 ( 1887 PWs) bands (ev): -1.9366 -1.9366 -0.6763 -0.6763 -0.6393 -0.6393 0.1558 0.1558 0.1766 0.1766 0.2108 0.2108 6.2380 6.2380 7.4046 7.4046 8.7832 8.7832 8.8828 8.8828 10.7506 10.7506 11.0302 11.0302 11.5157 11.5157 11.8909 11.8909 12.1272 12.1272 12.5457 12.5457 12.6250 12.6250 13.0332 13.0332 13.2942 13.2942 13.3261 13.3261 13.4432 13.4432 13.5096 13.5096 14.2006 14.2006 14.3234 14.3234 15.1027 15.1027 16.7854 16.7854 17.4664 17.4664 19.0005 19.0005 19.8042 19.8042 k = 0.2931 0.2931-0.0000 ( 1887 PWs) bands (ev): -1.9576 -1.9576 -0.6770 -0.6770 -0.6423 -0.6423 0.1546 0.1546 0.1765 0.1765 0.2068 0.2068 6.2133 6.2133 7.4634 7.4634 8.8041 8.8041 8.9036 8.9036 10.7851 10.7851 11.0588 11.0588 11.5077 11.5077 11.8656 11.8656 12.1078 12.1078 12.5618 12.5618 12.6422 12.6422 13.0228 13.0228 13.2869 13.2869 13.3250 13.3250 13.4607 13.4607 13.5269 13.5269 14.1957 14.1957 14.3034 14.3034 15.1499 15.1499 16.7474 16.7474 17.4272 17.4272 18.9097 18.9097 19.9315 19.9315 k = 0.2845 0.2845-0.0000 ( 1885 PWs) bands (ev): -1.9791 -1.9791 -0.6778 -0.6778 -0.6452 -0.6452 0.1533 0.1533 0.1764 0.1764 0.2028 0.2028 6.1888 6.1888 7.5242 7.5242 8.8240 8.8240 8.9247 8.9247 10.8220 10.8220 11.0877 11.0877 11.4998 11.4998 11.8405 11.8405 12.0882 12.0882 12.5783 12.5783 12.6603 12.6603 13.0118 13.0118 13.2794 13.2794 13.3231 13.3231 13.4801 13.4801 13.5442 13.5442 14.1899 14.1899 14.2834 14.2834 15.1970 15.1970 16.7103 16.7103 17.3876 17.3876 18.8204 18.8204 20.0626 20.0626 k = 0.2759 0.2759-0.0000 ( 1885 PWs) bands (ev): -2.0009 -2.0009 -0.6786 -0.6786 -0.6480 -0.6480 0.1520 0.1520 0.1763 0.1763 0.1988 0.1988 6.1646 6.1646 7.5866 7.5866 8.8430 8.8430 8.9460 8.9460 10.8605 10.8605 11.1170 11.1170 11.4921 11.4921 11.8157 11.8157 12.0684 12.0684 12.5950 12.5950 12.6790 12.6790 13.0004 13.0004 13.2722 13.2722 13.3206 13.3206 13.5007 13.5007 13.5615 13.5615 14.1830 14.1830 14.2640 14.2640 15.2433 15.2433 16.6744 16.6744 17.3481 17.3481 18.7325 18.7325 20.1973 20.1973 k = 0.2672 0.2672-0.0000 ( 1885 PWs) bands (ev): -2.0231 -2.0231 -0.6794 -0.6794 -0.6508 -0.6508 0.1507 0.1507 0.1762 0.1762 0.1948 0.1948 6.1406 6.1406 7.6506 7.6506 8.8613 8.8613 8.9675 8.9675 10.9009 10.9009 11.1465 11.1465 11.4844 11.4844 11.7911 11.7911 12.0484 12.0484 12.6120 12.6120 12.6982 12.6982 12.9891 12.9891 13.2651 13.2651 13.3178 13.3178 13.5220 13.5220 13.5786 13.5786 14.1751 14.1751 14.2448 14.2448 15.2893 15.2893 16.6398 16.6398 17.3086 17.3086 18.6461 18.6461 20.3352 20.3352 k = 0.2586 0.2586-0.0000 ( 1893 PWs) bands (ev): -2.0455 -2.0455 -0.6802 -0.6802 -0.6535 -0.6535 0.1494 0.1494 0.1761 0.1761 0.1909 0.1909 6.1170 6.1170 7.7161 7.7161 8.8791 8.8791 8.9891 8.9891 10.9421 10.9421 11.1760 11.1760 11.4768 11.4768 11.7668 11.7668 12.0281 12.0281 12.6291 12.6291 12.7178 12.7178 12.9784 12.9784 13.2583 13.2583 13.3145 13.3145 13.5434 13.5434 13.5954 13.5954 14.1657 14.1657 14.2262 14.2262 15.3345 15.3345 16.6067 16.6067 17.2696 17.2696 18.5613 18.5613 20.4754 20.4754 k = 0.2500 0.2500-0.0000 ( 1893 PWs) bands (ev): -2.0680 -2.0680 -0.6810 -0.6810 -0.6561 -0.6561 0.1481 0.1481 0.1760 0.1760 0.1871 0.1871 6.0937 6.0937 7.7830 7.7830 8.8967 8.8967 9.0108 9.0108 10.9838 10.9838 11.2056 11.2056 11.4694 11.4694 11.7430 11.7430 12.0079 12.0079 12.6464 12.6464 12.7380 12.7380 12.9689 12.9689 13.2518 13.2518 13.3110 13.3110 13.5651 13.5651 13.6121 13.6121 14.1549 14.1549 14.2086 14.2086 15.3789 15.3789 16.5752 16.5752 17.2313 17.2313 18.4782 18.4782 20.6163 20.6163 k = 0.2414 0.2414-0.0000 ( 1893 PWs) bands (ev): -2.0906 -2.0906 -0.6819 -0.6819 -0.6586 -0.6586 0.1468 0.1468 0.1759 0.1759 0.1834 0.1834 6.0707 6.0707 7.8513 7.8513 8.9142 8.9142 9.0324 9.0324 11.0255 11.0255 11.2349 11.2349 11.4622 11.4622 11.7196 11.7196 11.9878 11.9878 12.6636 12.6636 12.7585 12.7585 12.9608 12.9608 13.2456 13.2456 13.3071 13.3071 13.5867 13.5867 13.6285 13.6285 14.1425 14.1425 14.1919 14.1919 15.4223 15.4223 16.5457 16.5457 17.1939 17.1939 18.3966 18.3966 20.7530 20.7530 k = 0.2328 0.2328-0.0000 ( 1891 PWs) bands (ev): -2.1132 -2.1132 -0.6828 -0.6828 -0.6611 -0.6611 0.1454 0.1454 0.1755 0.1755 0.1802 0.1802 6.0481 6.0481 7.9207 7.9207 8.9319 8.9319 9.0540 9.0540 11.0665 11.0665 11.2640 11.2640 11.4552 11.4552 11.6967 11.6967 11.9676 11.9676 12.6806 12.6806 12.7795 12.7795 12.9546 12.9546 13.2396 13.2396 13.3030 13.3030 13.6081 13.6081 13.6448 13.6448 14.1286 14.1286 14.1762 14.1762 15.4644 15.4644 16.5185 16.5185 17.1578 17.1578 18.3167 18.3167 20.8674 20.8674 k = 0.2241 0.2241-0.0000 ( 1891 PWs) bands (ev): -2.1357 -2.1357 -0.6836 -0.6836 -0.6635 -0.6635 0.1441 0.1441 0.1740 0.1740 0.1781 0.1781 6.0258 6.0258 7.9912 7.9912 8.9499 8.9499 9.0753 9.0753 11.1066 11.1066 11.2927 11.2927 11.4483 11.4483 11.6743 11.6743 11.9476 11.9476 12.6973 12.6973 12.8005 12.8005 12.9506 12.9506 13.2337 13.2337 13.2985 13.2985 13.6289 13.6289 13.6611 13.6611 14.1136 14.1136 14.1612 14.1612 15.5048 15.5048 16.4940 16.4940 17.1232 17.1232 18.2386 18.2386 20.9063 20.9063 k = 0.2155 0.2155-0.0000 ( 1893 PWs) bands (ev): -2.1581 -2.1581 -0.6845 -0.6845 -0.6658 -0.6658 0.1428 0.1428 0.1711 0.1711 0.1775 0.1775 6.0040 6.0040 8.0625 8.0625 8.9682 8.9682 9.0964 9.0964 11.1451 11.1451 11.3208 11.3208 11.4417 11.4417 11.6524 11.6524 11.9276 11.9276 12.7138 12.7138 12.8216 12.8216 12.9490 12.9490 13.2279 13.2279 13.2937 13.2937 13.6488 13.6488 13.6772 13.6772 14.0977 14.0977 14.1465 14.1465 15.5431 15.5431 16.4726 16.4726 17.0904 17.0904 18.1623 18.1623 20.8655 20.8655 k = 0.2069 0.2069-0.0000 ( 1893 PWs) bands (ev): -2.1802 -2.1802 -0.6854 -0.6854 -0.6680 -0.6680 0.1415 0.1415 0.1678 0.1678 0.1774 0.1774 5.9827 5.9827 8.1345 8.1345 8.9870 8.9870 9.1173 9.1173 11.1816 11.1816 11.3483 11.3483 11.4353 11.4353 11.6312 11.6312 11.9079 11.9079 12.7299 12.7299 12.8428 12.8428 12.9501 12.9501 13.2221 13.2221 13.2886 13.2886 13.6675 13.6675 13.6937 13.6937 14.0815 14.0815 14.1319 14.1319 15.5787 15.5787 16.4550 16.4550 17.0598 17.0598 18.0879 18.0879 20.7988 20.7988 k = 0.1983 0.1983-0.0000 ( 1893 PWs) bands (ev): -2.2020 -2.2020 -0.6862 -0.6862 -0.6702 -0.6702 0.1402 0.1402 0.1645 0.1645 0.1775 0.1775 5.9618 5.9618 8.2071 8.2071 9.0064 9.0064 9.1378 9.1378 11.2157 11.2157 11.3750 11.3750 11.4292 11.4292 11.6106 11.6106 11.8885 11.8885 12.7458 12.7458 12.8638 12.8638 12.9537 12.9537 13.2165 13.2165 13.2834 13.2834 13.6848 13.6848 13.7106 13.7106 14.0652 14.0652 14.1171 14.1171 15.6113 15.6113 16.4417 16.4417 17.0315 17.0315 18.0154 18.0154 20.7259 20.7259 k = 0.1897 0.1897-0.0000 ( 1893 PWs) bands (ev): -2.2235 -2.2235 -0.6871 -0.6871 -0.6723 -0.6723 0.1389 0.1389 0.1612 0.1612 0.1777 0.1777 5.9415 5.9415 8.2801 8.2801 9.0264 9.0264 9.1579 9.1579 11.2471 11.2471 11.4006 11.4006 11.4235 11.4235 11.5907 11.5907 11.8694 11.8694 12.7615 12.7615 12.8846 12.8846 12.9597 12.9597 13.2110 13.2110 13.2779 13.2779 13.7004 13.7004 13.7280 13.7280 14.0490 14.0490 14.1021 14.1021 15.6401 15.6401 16.4332 16.4332 17.0059 17.0059 17.9450 17.9450 20.6519 20.6519 k = 0.1810 0.1810-0.0000 ( 1889 PWs) bands (ev): -2.2445 -2.2445 -0.6879 -0.6879 -0.6744 -0.6744 0.1376 0.1376 0.1580 0.1580 0.1779 0.1779 5.9217 5.9217 8.3532 8.3532 9.0470 9.0470 9.1775 9.1775 11.2756 11.2756 11.4165 11.4165 11.4270 11.4270 11.5715 11.5715 11.8507 11.8507 12.7772 12.7772 12.9048 12.9048 12.9681 12.9681 13.2055 13.2055 13.2724 13.2724 13.7147 13.7147 13.7458 13.7458 14.0333 14.0333 14.0869 14.0869 15.6646 15.6646 16.4302 16.4302 16.9833 16.9833 17.8768 17.8768 20.5787 20.5787 k = 0.1724 0.1724-0.0000 ( 1893 PWs) bands (ev): -2.2650 -2.2650 -0.6887 -0.6887 -0.6764 -0.6764 0.1364 0.1364 0.1549 0.1549 0.1781 0.1781 5.9025 5.9025 8.4263 8.4263 9.0681 9.0681 9.1966 9.1966 11.3008 11.3008 11.4118 11.4118 11.4498 11.4498 11.5532 11.5532 11.8326 11.8326 12.7930 12.7930 12.9242 12.9242 12.9782 12.9782 13.2001 13.2001 13.2667 13.2667 13.7276 13.7276 13.7636 13.7636 14.0179 14.0179 14.0714 14.0714 15.6842 15.6842 16.4330 16.4330 16.9637 16.9637 17.8109 17.8109 20.5070 20.5070 k = 0.1638 0.1638-0.0000 ( 1893 PWs) bands (ev): -2.2850 -2.2850 -0.6895 -0.6895 -0.6783 -0.6783 0.1352 0.1352 0.1519 0.1519 0.1784 0.1784 5.8839 5.8839 8.4991 8.4991 9.0897 9.0897 9.2150 9.2150 11.3228 11.3228 11.4067 11.4067 11.4719 11.4719 11.5358 11.5358 11.8149 11.8149 12.8091 12.8091 12.9428 12.9428 12.9901 12.9901 13.1949 13.1949 13.2611 13.2611 13.7394 13.7394 13.7810 13.7810 14.0032 14.0032 14.0559 14.0559 15.6990 15.6990 16.4417 16.4417 16.9477 16.9477 17.7474 17.7474 20.4373 20.4373 k = 0.1552 0.1552-0.0000 ( 1885 PWs) bands (ev): -2.3042 -2.3042 -0.6903 -0.6903 -0.6801 -0.6801 0.1340 0.1340 0.1491 0.1491 0.1787 0.1787 5.8660 5.8660 8.5715 8.5715 9.1118 9.1118 9.2329 9.2329 11.3417 11.3417 11.4020 11.4020 11.4915 11.4915 11.5206 11.5206 11.7979 11.7979 12.8257 12.8257 12.9602 12.9602 13.0033 13.0033 13.1899 13.1899 13.2556 13.2556 13.7503 13.7503 13.7979 13.7979 13.9893 13.9893 14.0406 14.0406 15.7089 15.7089 16.4561 16.4561 16.9355 16.9355 17.6865 17.6865 20.3698 20.3698 k = 0.1466 0.1466-0.0000 ( 1885 PWs) bands (ev): -2.3228 -2.3228 -0.6911 -0.6911 -0.6819 -0.6819 0.1329 0.1329 0.1463 0.1463 0.1789 0.1789 5.8488 5.8488 8.6430 8.6430 9.1342 9.1342 9.2500 9.2500 11.3572 11.3572 11.3974 11.3974 11.4968 11.4968 11.5189 11.5189 11.7815 11.7815 12.8426 12.8426 12.9758 12.9758 13.0175 13.0175 13.1851 13.1851 13.2502 13.2502 13.7601 13.7601 13.8140 13.8140 13.9761 13.9761 14.0257 14.0257 15.7142 15.7142 16.4755 16.4755 16.9271 16.9271 17.6283 17.6283 20.3047 20.3047 k = 0.1379 0.1379-0.0000 ( 1885 PWs) bands (ev): -2.3407 -2.3407 -0.6918 -0.6918 -0.6836 -0.6836 0.1318 0.1318 0.1437 0.1437 0.1792 0.1792 5.8324 5.8324 8.7135 8.7135 9.1569 9.1569 9.2664 9.2664 11.3693 11.3693 11.3930 11.3930 11.4842 11.4842 11.5346 11.5346 11.7660 11.7660 12.8597 12.8597 12.9896 12.9896 13.0323 13.0323 13.1806 13.1806 13.2451 13.2451 13.7691 13.7691 13.8293 13.8293 13.9638 13.9638 14.0116 14.0116 15.7154 15.7154 16.4991 16.4991 16.9230 16.9230 17.5732 17.5732 20.2420 20.2420 k = 0.1293 0.1293-0.0000 ( 1889 PWs) bands (ev): -2.3577 -2.3577 -0.6925 -0.6925 -0.6853 -0.6853 0.1307 0.1307 0.1412 0.1412 0.1795 0.1795 5.8167 5.8167 8.7827 8.7827 9.1795 9.1795 9.2819 9.2819 11.3784 11.3784 11.3890 11.3890 11.4701 11.4701 11.5509 11.5509 11.7513 11.7513 12.8770 12.8770 13.0010 13.0010 13.0476 13.0476 13.1766 13.1766 13.2402 13.2402 13.7772 13.7772 13.8434 13.8434 13.9526 13.9526 13.9983 13.9983 15.7132 15.7132 16.5257 16.5257 16.9233 16.9233 17.5211 17.5211 20.1818 20.1818 k = 0.1207 0.1207-0.0000 ( 1885 PWs) bands (ev): -2.3739 -2.3739 -0.6932 -0.6932 -0.6868 -0.6868 0.1297 0.1297 0.1389 0.1389 0.1798 0.1798 5.8019 5.8019 8.8501 8.8501 9.2021 9.2021 9.2967 9.2967 11.3832 11.3832 11.3870 11.3870 11.4568 11.4568 11.5661 11.5661 11.7375 11.7375 12.8943 12.8943 13.0102 13.0102 13.0632 13.0632 13.1731 13.1731 13.2357 13.2357 13.7842 13.7842 13.8563 13.8563 13.9427 13.9427 13.9864 13.9864 15.7083 15.7083 16.5540 16.5540 16.9282 16.9282 17.4725 17.4725 20.1241 20.1241 k = 0.1121 0.1121-0.0000 ( 1887 PWs) bands (ev): -2.3892 -2.3892 -0.6938 -0.6938 -0.6883 -0.6883 0.1287 0.1287 0.1366 0.1366 0.1800 0.1800 5.7879 5.7879 8.9155 8.9155 9.2245 9.2245 9.3107 9.3107 11.3808 11.3808 11.3897 11.3897 11.4441 11.4441 11.5798 11.5798 11.7246 11.7246 12.9112 12.9112 13.0170 13.0170 13.0786 13.0786 13.1704 13.1704 13.2316 13.2316 13.7902 13.7902 13.8673 13.8673 13.9340 13.9340 13.9763 13.9763 15.7015 15.7015 16.5827 16.5827 16.9379 16.9379 17.4275 17.4275 20.0691 20.0691 k = 0.1034 0.1034-0.0000 ( 1883 PWs) bands (ev): -2.4035 -2.4035 -0.6944 -0.6944 -0.6897 -0.6897 0.1278 0.1278 0.1346 0.1346 0.1803 0.1803 5.7748 5.7748 8.9786 8.9786 9.2464 9.2464 9.3237 9.3237 11.3776 11.3776 11.3915 11.3915 11.4324 11.4324 11.5921 11.5921 11.7128 11.7128 12.9274 12.9274 13.0215 13.0215 13.0936 13.0936 13.1683 13.1683 13.2279 13.2279 13.7951 13.7951 13.8762 13.8762 13.9270 13.9270 13.9685 13.9685 15.6933 15.6933 16.6104 16.6104 16.9524 16.9524 17.3864 17.3864 20.0169 20.0169 k = 0.0948 0.0948-0.0000 ( 1891 PWs) bands (ev): -2.4168 -2.4168 -0.6950 -0.6950 -0.6910 -0.6910 0.1270 0.1270 0.1327 0.1327 0.1805 0.1805 5.7626 5.7626 9.0388 9.0388 9.2677 9.2677 9.3357 9.3357 11.3744 11.3744 11.3913 11.3913 11.4215 11.4215 11.6027 11.6027 11.7018 11.7018 12.9425 12.9425 13.0239 13.0239 13.1079 13.1079 13.1669 13.1669 13.2247 13.2247 13.7988 13.7988 13.8826 13.8826 13.9213 13.9213 13.9636 13.9636 15.6842 15.6842 16.6362 16.6362 16.9714 16.9714 17.3494 17.3494 19.9675 19.9675 k = 0.0862 0.0862-0.0000 ( 1891 PWs) bands (ev): -2.4291 -2.4291 -0.6955 -0.6955 -0.6922 -0.6922 0.1262 0.1262 0.1309 0.1309 0.1808 0.1808 5.7513 5.7513 9.0959 9.0959 9.2880 9.2880 9.3469 9.3469 11.3715 11.3715 11.3894 11.3894 11.4118 11.4118 11.6120 11.6120 11.6919 11.6919 12.9562 12.9562 13.0246 13.0246 13.1212 13.1212 13.1664 13.1664 13.2221 13.2221 13.8016 13.8016 13.8865 13.8865 13.9167 13.9167 13.9621 13.9621 15.6748 15.6748 16.6592 16.6592 16.9945 16.9945 17.3167 17.3167 19.9211 19.9211 k = 0.0776 0.0776-0.0000 ( 1891 PWs) bands (ev): -2.4404 -2.4404 -0.6960 -0.6960 -0.6933 -0.6933 0.1255 0.1255 0.1293 0.1293 0.1810 0.1810 5.7411 5.7411 9.1493 9.1493 9.3074 9.3074 9.3570 9.3570 11.3688 11.3688 11.3861 11.3861 11.4033 11.4033 11.6199 11.6199 11.6831 11.6831 12.9682 12.9682 13.0238 13.0238 13.1333 13.1333 13.1667 13.1667 13.2201 13.2201 13.8034 13.8034 13.8886 13.8886 13.9126 13.9126 13.9636 13.9636 15.6655 15.6655 16.6790 16.6790 17.0209 17.0209 17.2886 17.2886 19.8778 19.8778 k = 0.0690 0.0690-0.0000 ( 1891 PWs) bands (ev): -2.4505 -2.4505 -0.6965 -0.6965 -0.6943 -0.6943 0.1248 0.1248 0.1279 0.1279 0.1812 0.1812 5.7319 5.7319 9.1987 9.1987 9.3254 9.3254 9.3662 9.3662 11.3663 11.3663 11.3818 11.3818 11.3961 11.3961 11.6265 11.6265 11.6752 11.6752 12.9783 12.9783 13.0219 13.0219 13.1440 13.1440 13.1677 13.1677 13.2189 13.2189 13.8044 13.8044 13.8897 13.8897 13.9087 13.9087 13.9672 13.9672 15.6566 15.6566 16.6954 16.6954 17.0492 17.0492 17.2651 17.2651 19.8380 19.8380 k = 0.0603 0.0603-0.0000 ( 1891 PWs) bands (ev): -2.4595 -2.4595 -0.6968 -0.6968 -0.6952 -0.6952 0.1242 0.1242 0.1266 0.1266 0.1814 0.1814 5.7237 5.7237 9.2436 9.2436 9.3419 9.3419 9.3743 9.3743 11.3640 11.3640 11.3768 11.3768 11.3901 11.3901 11.6319 11.6319 11.6682 11.6682 12.9865 12.9865 13.0194 13.0194 13.1530 13.1530 13.1694 13.1694 13.2185 13.2185 13.8048 13.8048 13.8904 13.8904 13.9052 13.9052 13.9720 13.9720 15.6482 15.6482 16.7084 16.7084 17.0784 17.0784 17.2462 17.2462 19.8017 19.8017 k = 0.0517 0.0517-0.0000 ( 1895 PWs) bands (ev): -2.4674 -2.4674 -0.6972 -0.6972 -0.6959 -0.6959 0.1237 0.1237 0.1254 0.1254 0.1815 0.1815 5.7165 5.7165 9.2836 9.2836 9.3566 9.3566 9.3814 9.3814 11.3618 11.3618 11.3717 11.3717 11.3851 11.3851 11.6361 11.6361 11.6621 11.6621 12.9927 12.9927 13.0163 13.0163 13.1604 13.1604 13.1714 13.1714 13.2190 13.2190 13.8048 13.8048 13.8911 13.8911 13.9021 13.9021 13.9770 13.9770 15.6405 15.6405 16.7184 16.7184 17.1069 17.1069 17.2315 17.2315 19.7694 19.7694 k = 0.0431 0.0431-0.0000 ( 1887 PWs) bands (ev): -2.4741 -2.4741 -0.6974 -0.6974 -0.6966 -0.6966 0.1233 0.1233 0.1245 0.1245 0.1817 0.1817 5.7104 5.7104 9.3182 9.3182 9.3694 9.3694 9.3876 9.3876 11.3599 11.3599 11.3670 11.3670 11.3811 11.3811 11.6394 11.6394 11.6572 11.6572 12.9974 12.9974 13.0134 13.0134 13.1663 13.1663 13.1737 13.1737 13.2204 13.2204 13.8045 13.8045 13.8919 13.8919 13.8996 13.8996 13.9818 13.9818 15.6339 15.6339 16.7258 16.7258 17.1336 17.1336 17.2207 17.2207 19.7414 19.7414 k = 0.0345 0.0345-0.0000 ( 1889 PWs) bands (ev): -2.4796 -2.4796 -0.6977 -0.6977 -0.6972 -0.6972 0.1230 0.1230 0.1237 0.1237 0.1818 0.1818 5.7054 5.7054 9.3471 9.3471 9.3800 9.3800 9.3928 9.3928 11.3582 11.3582 11.3628 11.3628 11.3777 11.3777 11.6419 11.6419 11.6531 11.6531 13.0005 13.0005 13.0105 13.0105 13.1707 13.1707 13.1756 13.1756 13.2222 13.2222 13.8041 13.8041 13.8926 13.8926 13.8976 13.8976 13.9860 13.9860 15.6283 15.6283 16.7309 16.7309 17.1573 17.1573 17.2132 17.2132 19.7178 19.7178 k = 0.0259 0.0259-0.0000 ( 1889 PWs) bands (ev): -2.4838 -2.4838 -0.6979 -0.6979 -0.6976 -0.6976 0.1227 0.1227 0.1231 0.1231 0.1819 0.1819 5.7015 5.7015 9.3698 9.3698 9.3883 9.3883 9.3973 9.3973 11.3568 11.3568 11.3594 11.3594 11.3751 11.3751 11.6436 11.6436 11.6499 11.6499 13.0025 13.0025 13.0080 13.0080 13.1741 13.1741 13.1771 13.1771 13.2240 13.2240 13.8037 13.8037 13.8933 13.8933 13.8961 13.8961 13.9895 13.9895 15.6239 15.6239 16.7342 16.7342 17.1768 17.1768 17.2084 17.2084 19.6991 19.6991 k = 0.0172 0.0172-0.0000 ( 1881 PWs) bands (ev): -2.4869 -2.4869 -0.6980 -0.6980 -0.6979 -0.6979 0.1225 0.1225 0.1227 0.1227 0.1819 0.1819 5.6987 5.6987 9.3860 9.3860 9.3939 9.3939 9.4012 9.4012 11.3557 11.3557 11.3569 11.3569 11.3734 11.3734 11.6449 11.6449 11.6478 11.6478 13.0039 13.0039 13.0063 13.0063 13.1768 13.1768 13.1781 13.1781 13.2258 13.2258 13.8034 13.8034 13.8938 13.8938 13.8950 13.8950 13.9920 13.9920 15.6207 15.6207 16.7362 16.7362 17.1914 17.1914 17.2055 17.2055 19.6856 19.6856 k = 0.0086 0.0086-0.0000 ( 1863 PWs) bands (ev): -2.4888 -2.4888 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1225 0.1225 0.1820 0.1820 5.6970 5.6970 9.3951 9.3951 9.3969 9.3969 9.4046 9.4046 11.3553 11.3553 11.3556 11.3556 11.3725 11.3725 11.6458 11.6458 11.6465 11.6465 13.0049 13.0049 13.0055 13.0055 13.1786 13.1786 13.1789 13.1789 13.2272 13.2272 13.8032 13.8032 13.8941 13.8941 13.8944 13.8944 13.9936 13.9936 15.6187 15.6187 16.7373 16.7373 17.2005 17.2005 17.2040 17.2040 19.6773 19.6773 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -2.4894 -2.4894 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1224 0.1224 0.1821 0.1821 5.6965 5.6965 9.3978 9.3978 9.3978 9.3978 9.4062 9.4062 11.3551 11.3551 11.3551 11.3551 11.3722 11.3722 11.6460 11.6460 11.6460 11.6460 13.0051 13.0051 13.0051 13.0051 13.1791 13.1791 13.1791 13.1791 13.2276 13.2276 13.8032 13.8032 13.8943 13.8943 13.8943 13.8943 13.9941 13.9941 15.6181 15.6181 16.7377 16.7377 17.2036 17.2036 17.2036 17.2036 19.6746 19.6746 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -2.4894 -2.4894 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1224 0.1224 0.1821 0.1821 5.6965 5.6965 9.3978 9.3978 9.3978 9.3978 9.4062 9.4062 11.3551 11.3551 11.3551 11.3551 11.3722 11.3722 11.6460 11.6460 11.6460 11.6460 13.0051 13.0051 13.0051 13.0051 13.1791 13.1791 13.1791 13.1791 13.2276 13.2276 13.8032 13.8032 13.8943 13.8943 13.8943 13.8943 13.9941 13.9941 15.6181 15.6181 16.7377 16.7377 17.2036 17.2036 17.2036 17.2036 19.6746 19.6746 k = 0.0070 0.0070 0.0070 ( 1866 PWs) bands (ev): -2.4888 -2.4888 -0.6980 -0.6980 -0.6980 -0.6980 0.1224 0.1224 0.1225 0.1225 0.1820 0.1820 5.6970 5.6970 9.3954 9.3954 9.3967 9.3967 9.4046 9.4046 11.3552 11.3552 11.3556 11.3556 11.3725 11.3725 11.6461 11.6461 11.6461 11.6461 13.0048 13.0048 13.0055 13.0055 13.1784 13.1784 13.1789 13.1789 13.2271 13.2271 13.8032 13.8032 13.8941 13.8941 13.8945 13.8945 13.9936 13.9936 15.6187 15.6187 16.7373 16.7373 17.2017 17.2017 17.2028 17.2028 19.6795 19.6798 k = 0.0141 0.0141 0.0141 ( 1881 PWs) bands (ev): -2.4869 -2.4869 -0.6980 -0.6980 -0.6979 -0.6979 0.1226 0.1226 0.1226 0.1226 0.1819 0.1819 5.6987 5.6987 9.3881 9.3881 9.3916 9.3916 9.4013 9.4013 11.3557 11.3557 11.3569 11.3569 11.3734 11.3734 11.6463 11.6463 11.6463 11.6463 13.0037 13.0037 13.0065 13.0065 13.1767 13.1767 13.1782 13.1782 13.2258 13.2258 13.8034 13.8034 13.8937 13.8937 13.8951 13.8951 13.9920 13.9920 15.6206 15.6206 16.7364 16.7364 17.1961 17.1961 17.2006 17.2006 19.6940 19.6940 k = 0.0211 0.0211 0.0211 ( 1887 PWs) bands (ev): -2.4838 -2.4838 -0.6978 -0.6978 -0.6976 -0.6976 0.1228 0.1228 0.1230 0.1230 0.1819 0.1819 5.7015 5.7015 9.3760 9.3760 9.3807 9.3807 9.3986 9.3986 11.3568 11.3568 11.3594 11.3594 11.3751 11.3751 11.6468 11.6468 11.6468 11.6468 13.0022 13.0022 13.0083 13.0083 13.1737 13.1737 13.1775 13.1775 13.2242 13.2242 13.8037 13.8037 13.8931 13.8931 13.8963 13.8963 13.9895 13.9895 15.6238 15.6238 16.7348 16.7348 17.1871 17.1871 17.1970 17.1970 19.7181 19.7181 k = 0.0282 0.0282 0.0282 ( 1887 PWs) bands (ev): -2.4795 -2.4795 -0.6976 -0.6976 -0.6972 -0.6972 0.1231 0.1231 0.1236 0.1236 0.1818 0.1818 5.7055 5.7055 9.3593 9.3593 9.3646 9.3646 9.3958 9.3958 11.3582 11.3582 11.3628 11.3628 11.3777 11.3777 11.6476 11.6476 11.6476 11.6476 13.0001 13.0001 13.0109 13.0109 13.1694 13.1694 13.1768 13.1768 13.2225 13.2225 13.8040 13.8040 13.8923 13.8923 13.8980 13.8980 13.9861 13.9861 15.6282 15.6282 16.7327 16.7327 17.1750 17.1750 17.1922 17.1922 19.7516 19.7516 k = 0.0352 0.0352 0.0352 ( 1899 PWs) bands (ev): -2.4740 -2.4740 -0.6974 -0.6974 -0.6967 -0.6967 0.1235 0.1235 0.1243 0.1243 0.1816 0.1816 5.7105 5.7105 9.3380 9.3380 9.3437 9.3437 9.3926 9.3926 11.3595 11.3595 11.3669 11.3669 11.3810 11.3810 11.6484 11.6484 11.6485 11.6485 12.9968 12.9968 13.0135 13.0135 13.1633 13.1633 13.1759 13.1759 13.2208 13.2208 13.8041 13.8041 13.8916 13.8916 13.9005 13.9005 13.9819 13.9819 15.6336 15.6336 16.7300 16.7300 17.1603 17.1603 17.1862 17.1862 19.7944 19.7944 k = 0.0423 0.0423 0.0423 ( 1893 PWs) bands (ev): -2.4673 -2.4673 -0.6970 -0.6970 -0.6961 -0.6961 0.1241 0.1241 0.1251 0.1251 0.1815 0.1815 5.7167 5.7167 9.3126 9.3126 9.3187 9.3187 9.3888 9.3888 11.3612 11.3612 11.3721 11.3721 11.3852 11.3852 11.6495 11.6495 11.6497 11.6497 12.9923 12.9923 13.0165 13.0165 13.1556 13.1556 13.1754 13.1754 13.2200 13.2200 13.8039 13.8039 13.8911 13.8911 13.9037 13.9037 13.9773 13.9773 15.6401 15.6401 16.7270 16.7270 17.1436 17.1436 17.1794 17.1794 19.8461 19.8461 k = 0.0493 0.0493 0.0493 ( 1893 PWs) bands (ev): -2.4594 -2.4594 -0.6966 -0.6966 -0.6954 -0.6954 0.1247 0.1247 0.1261 0.1261 0.1813 0.1813 5.7241 5.7241 9.2832 9.2832 9.2896 9.2896 9.3843 9.3843 11.3626 11.3626 11.3779 11.3779 11.3901 11.3901 11.6506 11.6506 11.6510 11.6510 12.9863 12.9863 13.0190 13.0190 13.1462 13.1462 13.1753 13.1753 13.2201 13.2201 13.8027 13.8027 13.8912 13.8912 13.9079 13.9079 13.9722 13.9722 15.6473 15.6473 16.7236 16.7236 17.1254 17.1254 17.1719 17.1719 19.9065 19.9065 k = 0.0563 0.0563 0.0563 ( 1893 PWs) bands (ev): -2.4503 -2.4503 -0.6962 -0.6962 -0.6945 -0.6945 0.1254 0.1254 0.1273 0.1273 0.1812 0.1812 5.7326 5.7326 9.2501 9.2501 9.2568 9.2568 9.3790 9.3790 11.3638 11.3638 11.3842 11.3842 11.3956 11.3956 11.6518 11.6518 11.6525 11.6525 12.9784 12.9784 13.0208 13.0208 13.1351 13.1351 13.1757 13.1757 13.2211 13.2211 13.8003 13.8003 13.8923 13.8923 13.9133 13.9133 13.9671 13.9671 15.6550 15.6550 16.7199 16.7199 17.1065 17.1065 17.1639 17.1639 19.9752 19.9752 k = 0.0634 0.0634 0.0634 ( 1893 PWs) bands (ev): -2.4401 -2.4401 -0.6957 -0.6957 -0.6936 -0.6936 0.1262 0.1262 0.1286 0.1286 0.1810 0.1810 5.7422 5.7422 9.2135 9.2135 9.2205 9.2205 9.3730 9.3730 11.3648 11.3648 11.3909 11.3909 11.4016 11.4016 11.6530 11.6530 11.6541 11.6541 12.9687 12.9687 13.0217 13.0217 13.1225 13.1225 13.1767 13.1767 13.2229 13.2229 13.7958 13.7958 13.8950 13.8950 13.9198 13.9198 13.9621 13.9621 15.6630 15.6630 16.7163 16.7163 17.0876 17.0876 17.1555 17.1555 20.0520 20.0520 k = 0.0704 0.0704 0.0704 ( 1890 PWs) bands (ev): -2.4288 -2.4288 -0.6951 -0.6951 -0.6925 -0.6925 0.1272 0.1272 0.1300 0.1300 0.1808 0.1808 5.7530 5.7530 9.1737 9.1737 9.1811 9.1811 9.3662 9.3662 11.3652 11.3652 11.3979 11.3979 11.4080 11.4080 11.6542 11.6542 11.6558 11.6558 12.9571 12.9571 13.0213 13.0213 13.1089 13.1089 13.1785 13.1785 13.2253 13.2253 13.7891 13.7891 13.8997 13.8997 13.9279 13.9279 13.9576 13.9576 15.6712 15.6712 16.7130 16.7130 17.0691 17.0691 17.1470 17.1470 20.1363 20.1363 k = 0.0775 0.0775 0.0775 ( 1890 PWs) bands (ev): -2.4164 -2.4164 -0.6945 -0.6945 -0.6913 -0.6913 0.1282 0.1282 0.1315 0.1315 0.1805 0.1805 5.7650 5.7650 9.1311 9.1311 9.1388 9.1388 9.3585 9.3585 11.3652 11.3652 11.4050 11.4050 11.4146 11.4146 11.6556 11.6556 11.6579 11.6579 12.9436 12.9436 13.0195 13.0195 13.0943 13.0943 13.1809 13.1809 13.2281 13.2281 13.7796 13.7796 13.9061 13.9061 13.9374 13.9374 13.9540 13.9540 15.6790 15.6790 16.7102 16.7102 17.0517 17.0517 17.1384 17.1384 20.2279 20.2279 k = 0.0845 0.0845 0.0845 ( 1893 PWs) bands (ev): -2.4029 -2.4029 -0.6939 -0.6939 -0.6901 -0.6901 0.1293 0.1293 0.1332 0.1332 0.1803 0.1803 5.7782 5.7782 9.0859 9.0859 9.0940 9.0940 9.3499 9.3499 11.3643 11.3643 11.4119 11.4119 11.4210 11.4210 11.6571 11.6571 11.6603 11.6603 12.9282 12.9282 13.0163 13.0163 13.0791 13.0791 13.1838 13.1838 13.2310 13.2310 13.7675 13.7675 13.9135 13.9135 13.9485 13.9485 13.9522 13.9522 15.6864 15.6864 16.7085 16.7085 17.0358 17.0358 17.1298 17.1298 20.3263 20.3263 k = 0.0915 0.0915 0.0915 ( 1893 PWs) bands (ev): -2.3883 -2.3883 -0.6932 -0.6932 -0.6887 -0.6887 0.1305 0.1305 0.1349 0.1349 0.1800 0.1800 5.7925 5.7925 9.0384 9.0384 9.0468 9.0468 9.3404 9.3404 11.3626 11.3626 11.4187 11.4187 11.4274 11.4274 11.6589 11.6589 11.6630 11.6630 12.9112 12.9112 13.0118 13.0118 13.0636 13.0636 13.1871 13.1871 13.2339 13.2339 13.7529 13.7529 13.9202 13.9202 13.9538 13.9538 13.9612 13.9612 15.6928 15.6928 16.7084 16.7084 17.0218 17.0218 17.1212 17.1212 20.4310 20.4310 k = 0.0986 0.0986 0.0986 ( 1893 PWs) bands (ev): -2.3728 -2.3728 -0.6925 -0.6925 -0.6873 -0.6873 0.1318 0.1318 0.1368 0.1368 0.1798 0.1798 5.8080 5.8080 8.9889 8.9889 8.9977 8.9977 9.3300 9.3300 11.3599 11.3599 11.4249 11.4249 11.4333 11.4333 11.6611 11.6611 11.6664 11.6664 12.8929 12.8929 13.0061 13.0061 13.0481 13.0481 13.1907 13.1907 13.2366 13.2366 13.7360 13.7360 13.9238 13.9238 13.9612 13.9612 13.9757 13.9757 15.6979 15.6979 16.7102 16.7102 17.0097 17.0097 17.1128 17.1128 20.5416 20.5417 k = 0.1056 0.1056 0.1056 ( 1893 PWs) bands (ev): -2.3562 -2.3562 -0.6918 -0.6918 -0.6857 -0.6857 0.1333 0.1333 0.1388 0.1388 0.1795 0.1795 5.8248 5.8248 8.9377 8.9377 8.9468 8.9468 9.3185 9.3185 11.3560 11.3560 11.4305 11.4305 11.4386 11.4386 11.6641 11.6641 11.6706 11.6706 12.8733 12.8733 12.9995 12.9995 13.0326 13.0326 13.1941 13.1941 13.2388 13.2388 13.7169 13.7169 13.9241 13.9241 13.9741 13.9741 13.9916 13.9916 15.7016 15.7016 16.7146 16.7146 16.9999 16.9999 17.1043 17.1043 20.6575 20.6575 k = 0.1127 0.1127 0.1127 ( 1893 PWs) bands (ev): -2.3387 -2.3387 -0.6910 -0.6910 -0.6841 -0.6841 0.1347 0.1347 0.1409 0.1409 0.1793 0.1793 5.8427 5.8427 8.8849 8.8849 8.8944 8.8944 9.3060 9.3060 11.3508 11.3508 11.4352 11.4352 11.4429 11.4429 11.6678 11.6678 11.6757 11.6757 12.8530 12.8530 12.9920 12.9920 13.0174 13.0174 13.1975 13.1975 13.2406 13.2406 13.6961 13.6961 13.9227 13.9227 13.9908 13.9908 14.0091 14.0091 15.7035 15.7035 16.7220 16.7220 16.9922 16.9922 17.0958 17.0958 20.7781 20.7781 k = 0.1197 0.1197 0.1197 ( 1887 PWs) bands (ev): -2.3203 -2.3203 -0.6902 -0.6902 -0.6823 -0.6823 0.1363 0.1363 0.1431 0.1431 0.1791 0.1791 5.8618 5.8618 8.8309 8.8309 8.8407 8.8407 9.2925 9.2925 11.3441 11.3441 11.4389 11.4389 11.4460 11.4460 11.6725 11.6725 11.6818 11.6818 12.8325 12.8325 12.9839 12.9839 13.0029 13.0029 13.2006 13.2006 13.2418 13.2418 13.6737 13.6737 13.9207 13.9207 14.0098 14.0098 14.0281 14.0281 15.7036 15.7036 16.7324 16.7324 16.9870 16.9870 17.0871 17.0871 20.9023 20.9023 k = 0.1268 0.1268 0.1268 ( 1887 PWs) bands (ev): -2.3011 -2.3011 -0.6894 -0.6894 -0.6805 -0.6805 0.1378 0.1378 0.1453 0.1453 0.1789 0.1789 5.8821 5.8821 8.7758 8.7758 8.7860 8.7860 9.2779 9.2779 11.3356 11.3356 11.4412 11.4412 11.4477 11.4477 11.6785 11.6785 11.6892 11.6892 12.8116 12.8116 12.9752 12.9752 12.9885 12.9885 13.2033 13.2033 13.2425 13.2425 13.6499 13.6499 13.9185 13.9185 14.0306 14.0306 14.0483 14.0483 15.7017 15.7017 16.7458 16.7458 16.9844 16.9844 17.0780 17.0780 21.0293 21.0293 k = 0.1338 0.1338 0.1338 ( 1881 PWs) bands (ev): -2.2810 -2.2810 -0.6886 -0.6886 -0.6785 -0.6785 0.1395 0.1395 0.1477 0.1477 0.1787 0.1787 5.9037 5.9037 8.7200 8.7200 8.7305 8.7305 9.2621 9.2621 11.3254 11.3254 11.4423 11.4423 11.4478 11.4478 11.6860 11.6860 11.6980 11.6980 12.7909 12.7909 12.9660 12.9660 12.9748 12.9748 13.2058 13.2058 13.2427 13.2427 13.6250 13.6250 13.9162 13.9162 14.0526 14.0526 14.0696 14.0696 15.6981 15.6981 16.7616 16.7616 16.9851 16.9851 17.0685 17.0685 21.1573 21.1573 k = 0.1408 0.1408 0.1408 ( 1893 PWs) bands (ev): -2.2601 -2.2601 -0.6878 -0.6878 -0.6766 -0.6766 0.1411 0.1411 0.1500 0.1500 0.1786 0.1786 5.9264 5.9264 8.6634 8.6634 8.6742 8.6742 9.2452 9.2452 11.3132 11.3132 11.4418 11.4418 11.4461 11.4461 11.6949 11.6949 11.7080 11.7080 12.7706 12.7706 12.9565 12.9565 12.9615 12.9615 13.2079 13.2079 13.2423 13.2423 13.5986 13.5986 13.9138 13.9138 14.0752 14.0752 14.0915 14.0915 15.6926 15.6926 16.7785 16.7785 16.9900 16.9900 17.0581 17.0581 21.2839 21.2839 k = 0.1479 0.1479 0.1479 ( 1893 PWs) bands (ev): -2.2385 -2.2385 -0.6870 -0.6870 -0.6745 -0.6745 0.1427 0.1427 0.1524 0.1524 0.1786 0.1786 5.9503 5.9503 8.6064 8.6064 8.6176 8.6176 9.2271 9.2271 11.2991 11.2991 11.4401 11.4401 11.4429 11.4429 11.7054 11.7054 11.7195 11.7195 12.7513 12.7513 12.9467 12.9467 12.9489 12.9489 13.2099 13.2099 13.2416 13.2416 13.5715 13.5715 13.9115 13.9115 14.0986 14.0986 14.1143 14.1143 15.6857 15.6857 16.7947 16.7947 17.0006 17.0006 17.0468 17.0468 21.4055 21.4055 k = 0.1549 0.1549 0.1549 ( 1893 PWs) bands (ev): -2.2163 -2.2163 -0.6862 -0.6862 -0.6724 -0.6724 0.1443 0.1443 0.1549 0.1549 0.1787 0.1787 5.9754 5.9754 8.5491 8.5491 8.5606 8.5606 9.2078 9.2078 11.2832 11.2832 11.4372 11.4372 11.4382 11.4382 11.7174 11.7174 11.7324 11.7324 12.7332 12.7332 12.9368 12.9368 12.9370 12.9370 13.2116 13.2116 13.2406 13.2406 13.5435 13.5435 13.9092 13.9092 14.1224 14.1224 14.1374 14.1374 15.6775 15.6775 16.8079 16.8079 17.0188 17.0188 17.0342 17.0342 21.5161 21.5161 k = 0.1620 0.1620 0.1620 ( 1899 PWs) bands (ev): -2.1933 -2.1933 -0.6854 -0.6854 -0.6702 -0.6702 0.1458 0.1458 0.1574 0.1574 0.1789 0.1789 6.0016 6.0016 8.4917 8.4917 8.5035 8.5035 9.1872 9.1872 11.2651 11.2651 11.4321 11.4321 11.4331 11.4331 11.7308 11.7308 11.7466 11.7466 12.7163 12.7163 12.9256 12.9256 12.9266 12.9266 13.2134 13.2134 13.2392 13.2392 13.5149 13.5149 13.9069 13.9069 14.1461 14.1461 14.1607 14.1607 15.6685 15.6685 16.8162 16.8162 17.0201 17.0201 17.0459 17.0459 21.6072 21.6072 k = 0.1690 0.1690 0.1690 ( 1905 PWs) bands (ev): -2.1698 -2.1698 -0.6847 -0.6847 -0.6680 -0.6680 0.1472 0.1472 0.1599 0.1599 0.1793 0.1793 6.0290 6.0290 8.4343 8.4343 8.4464 8.4464 9.1655 9.1655 11.2455 11.2455 11.4248 11.4248 11.4281 11.4281 11.7455 11.7455 11.7620 11.7620 12.7010 12.7010 12.9147 12.9147 12.9163 12.9163 13.2151 13.2151 13.2376 13.2376 13.4855 13.4855 13.9047 13.9047 14.1696 14.1696 14.1840 14.1840 15.6588 15.6588 16.8188 16.8188 17.0041 17.0041 17.0821 17.0821 21.6687 21.6688 k = 0.1761 0.1761 0.1761 ( 1893 PWs) bands (ev): -2.1456 -2.1456 -0.6838 -0.6838 -0.6657 -0.6657 0.1485 0.1485 0.1625 0.1625 0.1799 0.1799 6.0575 6.0575 8.3771 8.3771 8.3895 8.3895 9.1425 9.1425 11.2243 11.2243 11.4167 11.4167 11.4225 11.4225 11.7615 11.7615 11.7785 11.7785 12.6875 12.6875 12.9046 12.9046 12.9060 12.9060 13.2174 13.2174 13.2363 13.2363 13.4562 13.4562 13.9026 13.9026 14.1928 14.1928 14.2071 14.2071 15.6487 15.6487 16.8160 16.8160 16.9861 16.9861 17.1266 17.1266 21.6845 21.6846 k = 0.1831 0.1831 0.1831 ( 1893 PWs) bands (ev): -2.1210 -2.1210 -0.6831 -0.6831 -0.6634 -0.6634 0.1496 0.1496 0.1651 0.1651 0.1808 0.1808 6.0871 6.0871 8.3201 8.3201 8.3329 8.3329 9.1184 9.1184 11.2017 11.2017 11.4078 11.4078 11.4162 11.4162 11.7785 11.7785 11.7960 11.7960 12.6755 12.6755 12.8948 12.8948 12.8954 12.8954 13.2196 13.2196 13.2344 13.2344 13.4266 13.4266 13.9004 13.9004 14.2154 14.2154 14.2297 14.2297 15.6386 15.6386 16.8083 16.8083 16.9655 16.9655 17.1782 17.1782 21.6658 21.6658 k = 0.1901 0.1901 0.1901 ( 1893 PWs) bands (ev): -2.0959 -2.0959 -0.6824 -0.6824 -0.6610 -0.6610 0.1504 0.1504 0.1677 0.1677 0.1819 0.1819 6.1177 6.1177 8.2636 8.2636 8.2766 8.2766 9.0930 9.0930 11.1779 11.1779 11.3983 11.3983 11.4094 11.4094 11.7964 11.7964 11.8143 11.8143 12.6652 12.6652 12.8846 12.8846 12.8854 12.8854 13.2222 13.2222 13.2324 13.2324 13.3971 13.3971 13.8982 13.8982 14.2373 14.2373 14.2518 14.2518 15.6285 15.6285 16.7961 16.7961 16.9422 16.9422 17.2358 17.2358 21.6289 21.6289 k = 0.1972 0.1972 0.1972 ( 1887 PWs) bands (ev): -2.0703 -2.0703 -0.6817 -0.6817 -0.6586 -0.6586 0.1510 0.1510 0.1703 0.1703 0.1832 0.1832 6.1494 6.1494 8.2076 8.2076 8.2209 8.2209 9.0665 9.0665 11.1533 11.1533 11.3886 11.3886 11.4025 11.4025 11.8152 11.8152 11.8334 11.8334 12.6565 12.6565 12.8738 12.8738 12.8764 12.8764 13.2252 13.2252 13.2298 13.2298 13.3682 13.3682 13.8960 13.8960 14.2584 14.2584 14.2732 14.2732 15.6188 15.6188 16.7797 16.7797 16.9160 16.9160 17.2985 17.2985 21.5826 21.5827 k = 0.2042 0.2042 0.2042 ( 1887 PWs) bands (ev): -2.0444 -2.0444 -0.6811 -0.6811 -0.6562 -0.6562 0.1513 0.1513 0.1728 0.1728 0.1848 0.1848 6.1820 6.1820 8.1521 8.1521 8.1658 8.1658 9.0389 9.0389 11.1281 11.1281 11.3786 11.3786 11.3955 11.3955 11.8346 11.8346 11.8531 11.8531 12.6492 12.6492 12.8627 12.8627 12.8677 12.8677 13.2261 13.2261 13.2287 13.2287 13.3406 13.3406 13.8939 13.8939 14.2783 14.2783 14.2936 14.2936 15.6095 15.6095 16.7594 16.7594 16.8866 16.8866 17.3655 17.3655 21.5331 21.5331 k = 0.2113 0.2113 0.2113 ( 1893 PWs) bands (ev): -2.0182 -2.0182 -0.6805 -0.6805 -0.6539 -0.6539 0.1514 0.1514 0.1754 0.1754 0.1866 0.1866 6.2154 6.2154 8.0973 8.0973 8.1113 8.1113 9.0103 9.0103 11.1024 11.1024 11.3687 11.3687 11.3885 11.3885 11.8545 11.8545 11.8734 11.8734 12.6433 12.6433 12.8514 12.8514 12.8592 12.8592 13.2201 13.2201 13.2327 13.2327 13.3157 13.3157 13.8917 13.8917 14.2970 14.2970 14.3129 14.3129 15.6008 15.6008 16.7352 16.7352 16.8537 16.8537 17.4362 17.4362 21.4840 21.4840 k = 0.2183 0.2183 0.2183 ( 1893 PWs) bands (ev): -1.9916 -1.9916 -0.6799 -0.6799 -0.6515 -0.6515 0.1512 0.1512 0.1779 0.1779 0.1886 0.1886 6.2497 6.2497 8.0434 8.0434 8.0576 8.0576 8.9807 8.9807 11.0771 11.0771 11.3591 11.3591 11.3818 11.3818 11.8751 11.8751 11.8941 11.8941 12.6387 12.6387 12.8400 12.8400 12.8510 12.8510 13.2099 13.2099 13.2373 13.2373 13.2956 13.2956 13.8896 13.8896 14.3144 14.3144 14.3311 14.3311 15.5928 15.5928 16.7072 16.7072 16.8174 16.8174 17.5101 17.5101 21.4379 21.4379 k = 0.2254 0.2254 0.2254 ( 1893 PWs) bands (ev): -1.9648 -1.9648 -0.6794 -0.6794 -0.6492 -0.6492 0.1509 0.1509 0.1803 0.1803 0.1907 0.1907 6.2848 6.2848 7.9902 7.9902 8.0048 8.0048 8.9503 8.9503 11.0522 11.0522 11.3498 11.3498 11.3755 11.3755 11.8960 11.8960 11.9153 11.9153 12.6350 12.6350 12.8284 12.8284 12.8431 12.8431 13.1934 13.1934 13.2424 13.2424 13.2823 13.2823 13.8875 13.8875 14.3305 14.3305 14.3481 14.3481 15.5855 15.5855 16.6754 16.6754 16.7775 16.7775 17.5866 17.5866 21.3964 21.3964 k = 0.2324 0.2324 0.2324 ( 1893 PWs) bands (ev): -1.9378 -1.9378 -0.6789 -0.6789 -0.6469 -0.6469 0.1504 0.1504 0.1828 0.1828 0.1930 0.1930 6.3205 6.3205 7.9380 7.9380 7.9528 7.9528 8.9193 8.9193 11.0280 11.0280 11.3411 11.3411 11.3697 11.3697 11.9174 11.9174 11.9368 11.9368 12.6321 12.6321 12.8166 12.8166 12.8354 12.8354 13.1711 13.1711 13.2482 13.2482 13.2756 13.2756 13.8854 13.8854 14.3450 14.3450 14.3636 14.3636 15.5789 15.5789 16.6400 16.6400 16.7341 16.7341 17.6652 17.6652 21.3603 21.3603 k = 0.2394 0.2394 0.2394 ( 1893 PWs) bands (ev): -1.9106 -1.9106 -0.6785 -0.6785 -0.6447 -0.6447 0.1497 0.1497 0.1852 0.1852 0.1953 0.1953 6.3567 6.3567 7.8868 7.8868 7.9019 7.9019 8.8876 8.8876 11.0049 11.0049 11.3332 11.3332 11.3647 11.3647 11.9388 11.9388 11.9584 11.9584 12.6298 12.6298 12.8048 12.8048 12.8279 12.8279 13.1451 13.1451 13.2545 13.2545 13.2735 13.2735 13.8834 13.8834 14.3580 14.3580 14.3777 14.3777 15.5732 15.5732 16.6010 16.6010 16.6873 16.6873 17.7454 17.7454 21.3303 21.3303 k = 0.2465 0.2465 0.2465 ( 1899 PWs) bands (ev): -1.8833 -1.8833 -0.6782 -0.6782 -0.6425 -0.6425 0.1488 0.1488 0.1875 0.1875 0.1976 0.1976 6.3934 6.3934 7.8366 7.8366 7.8520 7.8520 8.8556 8.8556 10.9831 10.9831 11.3259 11.3259 11.3603 11.3603 11.9606 11.9606 11.9802 11.9802 12.6279 12.6279 12.7927 12.7927 12.8207 12.8207 13.1168 13.1168 13.2614 13.2614 13.2743 13.2743 13.8814 13.8814 14.3691 14.3691 14.3901 14.3901 15.5682 15.5682 16.5586 16.5586 16.6371 16.6371 17.8265 17.8265 21.3066 21.3067 k = 0.2535 0.2535 0.2535 ( 1899 PWs) bands (ev): -1.8558 -1.8558 -0.6779 -0.6779 -0.6405 -0.6405 0.1478 0.1478 0.1897 0.1897 0.2000 0.2000 6.4304 6.4304 7.7875 7.7875 7.8032 7.8032 8.8236 8.8236 10.9630 10.9630 11.3196 11.3196 11.3569 11.3569 11.9825 11.9825 12.0022 12.0022 12.6262 12.6262 12.7806 12.7806 12.8137 12.8137 13.0878 13.0878 13.2689 13.2689 13.2770 13.2770 13.8794 13.8794 14.3786 14.3786 14.4009 14.4009 15.5641 15.5641 16.5130 16.5130 16.5839 16.5839 17.9079 17.9079 21.2893 21.2893 k = 0.2606 0.2606 0.2606 ( 1893 PWs) bands (ev): -1.8283 -1.8283 -0.6776 -0.6776 -0.6385 -0.6385 0.1467 0.1467 0.1920 0.1920 0.2024 0.2024 6.4675 6.4675 7.7396 7.7396 7.7555 7.7555 8.7916 8.7916 10.9449 10.9449 11.3144 11.3144 11.3546 11.3546 12.0045 12.0045 12.0243 12.0243 12.6245 12.6245 12.7684 12.7684 12.8071 12.8071 13.0584 13.0584 13.2768 13.2768 13.2810 13.2810 13.8774 13.8774 14.3862 14.3862 14.4100 14.4100 15.5608 15.5608 16.4647 16.4647 16.5279 16.5279 17.9885 17.9885 21.2784 21.2784 k = 0.2676 0.2676 0.2676 ( 1896 PWs) bands (ev): -1.8008 -1.8008 -0.6774 -0.6774 -0.6367 -0.6367 0.1455 0.1455 0.1941 0.1941 0.2047 0.2047 6.5045 6.5045 7.6928 7.6928 7.7090 7.7090 8.7598 8.7598 10.9288 10.9288 11.3101 11.3101 11.3532 11.3532 12.0265 12.0265 12.0462 12.0462 12.6225 12.6225 12.7561 12.7561 12.8008 12.8008 13.0289 13.0289 13.2852 13.2852 13.2862 13.2862 13.8754 13.8754 14.3917 14.3917 14.4171 14.4171 15.5582 15.5582 16.4138 16.4138 16.4695 16.4695 18.0674 18.0674 21.2737 21.2737 k = 0.2746 0.2746 0.2746 ( 1890 PWs) bands (ev): -1.7733 -1.7733 -0.6772 -0.6772 -0.6350 -0.6350 0.1442 0.1442 0.1962 0.1962 0.2069 0.2069 6.5414 6.5414 7.6473 7.6473 7.6637 7.6637 8.7288 8.7288 10.9149 10.9149 11.3072 11.3072 11.3531 11.3531 12.0484 12.0484 12.0681 12.0681 12.6201 12.6201 12.7438 12.7438 12.7950 12.7950 12.9996 12.9996 13.2921 13.2921 13.2941 13.2941 13.8735 13.8735 14.3954 14.3954 14.4225 14.4225 15.5564 15.5564 16.3609 16.3609 16.4090 16.4090 18.1432 18.1432 21.2686 21.2687 k = 0.2817 0.2817 0.2817 ( 1890 PWs) bands (ev): -1.7458 -1.7458 -0.6771 -0.6771 -0.6335 -0.6335 0.1428 0.1428 0.1982 0.1982 0.2090 0.2090 6.5779 6.5779 7.6030 7.6030 7.6197 7.6197 8.6985 8.6985 10.9034 10.9034 11.3055 11.3055 11.3542 11.3542 12.0701 12.0701 12.0897 12.0897 12.6172 12.6172 12.7315 12.7315 12.7895 12.7895 12.9707 12.9707 13.2988 13.2988 13.3033 13.3033 13.8715 13.8715 14.3968 14.3968 14.4257 14.4257 15.5552 15.5552 16.3062 16.3062 16.3468 16.3468 18.2141 18.2141 21.0715 21.0715 k = 0.2887 0.2887 0.2887 ( 1887 PWs) bands (ev): -1.7184 -1.7184 -0.6771 -0.6771 -0.6322 -0.6322 0.1412 0.1412 0.2001 0.2001 0.2111 0.2111 6.6138 6.6138 7.5599 7.5599 7.5769 7.5769 8.6692 8.6692 10.8946 10.8946 11.3052 11.3052 11.3567 11.3567 12.0915 12.0915 12.1110 12.1110 12.6136 12.6136 12.7192 12.7192 12.7845 12.7845 12.9423 12.9423 13.3060 13.3060 13.3128 13.3128 13.8697 13.8697 14.3960 14.3960 14.4267 14.4267 15.5546 15.5546 16.2504 16.2504 16.2836 16.2836 18.2778 18.2778 20.8853 20.8853 k = 0.2958 0.2958 0.2958 ( 1893 PWs) bands (ev): -1.6911 -1.6911 -0.6771 -0.6771 -0.6311 -0.6311 0.1395 0.1395 0.2019 0.2019 0.2130 0.2130 6.6488 6.6488 7.5182 7.5182 7.5354 7.5354 8.6413 8.6413 10.8883 10.8883 11.3062 11.3062 11.3606 11.3606 12.1127 12.1127 12.1319 12.1319 12.6091 12.6091 12.7069 12.7069 12.7797 12.7797 12.9144 12.9144 13.3137 13.3137 13.3224 13.3224 13.8678 13.8678 14.3929 14.3929 14.4254 14.4254 15.5545 15.5545 16.1938 16.1938 16.2196 16.2196 18.3311 18.3311 20.7139 20.7139 k = 0.3028 0.3028 0.3028 ( 1893 PWs) bands (ev): -1.6639 -1.6639 -0.6772 -0.6772 -0.6302 -0.6302 0.1377 0.1377 0.2037 0.2037 0.2147 0.2147 6.6828 6.6828 7.4778 7.4778 7.4953 7.4953 8.6152 8.6152 10.8849 10.8849 11.3088 11.3088 11.3659 11.3659 12.1336 12.1336 12.1525 12.1525 12.6039 12.6039 12.6947 12.6947 12.7751 12.7751 12.8873 12.8873 13.3218 13.3218 13.3323 13.3323 13.8660 13.8660 14.3873 14.3873 14.4217 14.4217 15.5549 15.5549 16.1370 16.1370 16.1556 16.1556 18.3703 18.3703 20.5612 20.5612 k = 0.3099 0.3099 0.3099 ( 1881 PWs) bands (ev): -1.6368 -1.6368 -0.6773 -0.6773 -0.6295 -0.6295 0.1358 0.1358 0.2055 0.2055 0.2164 0.2164 6.7154 6.7154 7.4389 7.4389 7.4565 7.4565 8.5911 8.5911 10.8848 10.8848 11.3129 11.3129 11.3728 11.3728 12.1541 12.1541 12.1727 12.1727 12.5980 12.5980 12.6827 12.6827 12.7706 12.7706 12.8612 12.8612 13.3303 13.3303 13.3424 13.3424 13.8642 13.8642 14.3792 14.3792 14.4155 14.4155 15.5558 15.5558 16.0807 16.0807 16.0921 16.0921 18.3912 18.3912 20.4317 20.4317 k = 0.3169 0.3169 0.3169 ( 1881 PWs) bands (ev): -1.6100 -1.6100 -0.6775 -0.6775 -0.6290 -0.6290 0.1338 0.1338 0.2070 0.2070 0.2178 0.2178 6.7465 6.7465 7.4012 7.4012 7.4191 7.4191 8.5691 8.5691 10.8874 10.8874 11.3184 11.3184 11.3811 11.3811 12.1741 12.1741 12.1924 12.1924 12.5913 12.5913 12.6708 12.6708 12.7656 12.7656 12.8361 12.8361 13.3390 13.3390 13.3525 13.3525 13.8624 13.8624 14.3685 14.3685 14.4066 14.4066 15.5569 15.5569 16.0251 16.0251 16.0293 16.0293 18.3889 18.3889 20.3301 20.3301 k = 0.3239 0.3239 0.3239 ( 1881 PWs) bands (ev): -1.5834 -1.5834 -0.6777 -0.6777 -0.6289 -0.6289 0.1317 0.1317 0.2086 0.2086 0.2191 0.2191 6.7758 6.7758 7.3650 7.3650 7.3830 7.3830 8.5496 8.5496 10.8932 10.8932 11.3256 11.3256 11.3910 11.3910 12.1934 12.1934 12.2113 12.2113 12.5837 12.5837 12.6589 12.6589 12.7594 12.7594 12.8132 12.8132 13.3478 13.3478 13.3624 13.3624 13.8606 13.8606 14.3552 14.3552 14.3951 14.3951 15.5582 15.5582 15.9680 15.9680 15.9707 15.9707 18.3601 18.3601 20.2599 20.2599 k = 0.3310 0.3310 0.3310 ( 1878 PWs) bands (ev): -1.5570 -1.5570 -0.6779 -0.6779 -0.6289 -0.6289 0.1294 0.1294 0.2100 0.2100 0.2203 0.2203 6.8031 6.8031 7.3302 7.3302 7.3484 7.3484 8.5328 8.5328 10.9021 10.9021 11.3344 11.3344 11.4025 11.4025 12.2121 12.2121 12.2295 12.2295 12.5755 12.5755 12.6473 12.6473 12.7508 12.7508 12.7935 12.7935 13.3566 13.3566 13.3723 13.3723 13.8589 13.8589 14.3393 14.3393 14.3808 14.3808 15.5595 15.5595 15.9085 15.9085 15.9181 15.9181 18.3036 18.3036 20.2226 20.2226 k = 0.3380 0.3380 0.3380 ( 1878 PWs) bands (ev): -1.5309 -1.5309 -0.6782 -0.6782 -0.6293 -0.6293 0.1270 0.1270 0.2114 0.2114 0.2213 0.2213 6.8282 6.8282 7.2967 7.2967 7.3152 7.3152 8.5188 8.5188 10.9143 10.9143 11.3449 11.3449 11.4156 11.4156 12.2299 12.2299 12.2469 12.2469 12.5666 12.5666 12.6357 12.6357 12.7381 12.7381 12.7784 12.7784 13.3653 13.3653 13.3819 13.3819 13.8572 13.8572 14.3208 14.3208 14.3637 14.3637 15.5608 15.5608 15.8514 15.8514 15.8677 15.8677 18.2212 18.2212 20.2166 20.2166 k = 0.3451 0.3451 0.3451 ( 1878 PWs) bands (ev): -1.5051 -1.5051 -0.6786 -0.6786 -0.6300 -0.6300 0.1244 0.1244 0.2126 0.2126 0.2222 0.2222 6.8509 6.8509 7.2647 7.2647 7.2834 7.2834 8.5078 8.5078 10.9298 10.9298 11.3569 11.3569 11.4303 11.4303 12.2469 12.2469 12.2634 12.2634 12.5572 12.5572 12.6243 12.6243 12.7213 12.7213 12.7678 12.7678 13.3739 13.3739 13.3912 13.3912 13.8556 13.8556 14.2998 14.2998 14.3439 14.3439 15.5618 15.5618 15.7970 15.7970 15.8200 15.8200 18.1166 18.1166 20.2381 20.2381 k = 0.3521 0.3521 0.3521 ( 1881 PWs) bands (ev): -1.4797 -1.4797 -0.6790 -0.6790 -0.6310 -0.6310 0.1217 0.1217 0.2138 0.2138 0.2229 0.2229 6.8711 6.8711 7.2342 7.2342 7.2531 7.2531 8.4998 8.4998 10.9488 10.9488 11.3706 11.3706 11.4467 11.4467 12.2629 12.2629 12.2789 12.2789 12.5472 12.5472 12.6129 12.6129 12.7025 12.7025 12.7595 12.7595 13.3822 13.3822 13.4001 13.4001 13.8539 13.8539 14.2763 14.2763 14.3214 14.3214 15.5622 15.5622 15.7456 15.7456 15.7752 15.7752 17.9951 17.9951 20.2823 20.2823 k = 0.3592 0.3592 0.3592 ( 1875 PWs) bands (ev): -1.4546 -1.4546 -0.6793 -0.6793 -0.6322 -0.6322 0.1189 0.1189 0.2149 0.2149 0.2235 0.2235 6.8888 6.8888 7.2051 7.2051 7.2241 7.2241 8.4948 8.4948 10.9711 10.9711 11.3859 11.3859 11.4647 11.4647 12.2779 12.2779 12.2935 12.2935 12.5370 12.5370 12.6018 12.6018 12.6834 12.6834 12.7520 12.7520 13.3901 13.3901 13.4085 13.4085 13.8523 13.8523 14.2509 14.2509 14.2965 14.2965 15.5619 15.5619 15.6975 15.6975 15.7340 15.7340 17.8617 17.8617 20.3444 20.3444 k = 0.3662 0.3662 0.3662 ( 1887 PWs) bands (ev): -1.4300 -1.4300 -0.6798 -0.6798 -0.6339 -0.6339 0.1159 0.1159 0.2159 0.2159 0.2239 0.2239 6.9039 6.9039 7.1773 7.1773 7.1966 7.1966 8.4926 8.4926 10.9968 10.9968 11.4027 11.4027 11.4841 11.4841 12.2916 12.2916 12.3069 12.3069 12.5263 12.5263 12.5907 12.5907 12.6642 12.6642 12.7440 12.7440 13.3976 13.3976 13.4162 13.4162 13.8505 13.8505 14.2233 14.2233 14.2691 14.2691 15.5600 15.5600 15.6528 15.6528 15.6966 15.6966 17.7208 17.7208 20.4202 20.4202 k = 0.3732 0.3732 0.3732 ( 1875 PWs) bands (ev): -1.4058 -1.4058 -0.6802 -0.6802 -0.6357 -0.6357 0.1129 0.1129 0.2169 0.2169 0.2243 0.2243 6.9165 6.9165 7.1511 7.1511 7.1706 7.1706 8.4933 8.4933 11.0262 11.0262 11.4212 11.4212 11.5053 11.5053 12.3040 12.3040 12.3192 12.3192 12.5154 12.5154 12.5799 12.5799 12.6465 12.6465 12.7354 12.7354 13.4047 13.4047 13.4234 13.4234 13.8492 13.8492 14.1941 14.1941 14.2398 14.2398 15.5561 15.5561 15.6119 15.6119 15.6641 15.6641 17.5759 17.5759 20.5067 20.5067 k = 0.3803 0.3803 0.3803 ( 1875 PWs) bands (ev): -1.3822 -1.3822 -0.6807 -0.6807 -0.6379 -0.6379 0.1097 0.1097 0.2178 0.2178 0.2246 0.2246 6.9265 6.9265 7.1263 7.1263 7.1460 7.1460 8.4964 8.4964 11.0588 11.0588 11.4411 11.4411 11.5278 11.5278 12.3148 12.3148 12.3303 12.3303 12.5042 12.5042 12.5691 12.5691 12.6296 12.6296 12.7256 12.7256 13.4110 13.4110 13.4298 13.4298 13.8476 13.8476 14.1637 14.1637 14.2088 14.2088 15.5488 15.5488 15.5745 15.5745 15.6372 15.6372 17.4299 17.4299 20.6012 20.6012 k = 0.3873 0.3873 0.3873 ( 1884 PWs) bands (ev): -1.3592 -1.3592 -0.6811 -0.6811 -0.6405 -0.6405 0.1064 0.1064 0.2186 0.2186 0.2247 0.2247 6.9343 6.9343 7.1028 7.1028 7.1227 7.1227 8.5018 8.5018 11.0947 11.0947 11.4624 11.4624 11.5518 11.5518 12.3239 12.3239 12.3401 12.3401 12.4928 12.4928 12.5581 12.5581 12.6136 12.6136 12.7144 12.7144 13.4167 13.4167 13.4351 13.4351 13.8460 13.8460 14.1324 14.1324 14.1767 14.1767 15.5371 15.5371 15.5405 15.5405 15.6166 15.6166 17.2852 17.2852 20.7017 20.7017 k = 0.3944 0.3944 0.3944 ( 1884 PWs) bands (ev): -1.3368 -1.3368 -0.6816 -0.6816 -0.6432 -0.6432 0.1031 0.1031 0.2193 0.2193 0.2248 0.2248 6.9400 6.9400 7.0808 7.0808 7.1010 7.1010 8.5092 8.5092 11.1339 11.1339 11.4853 11.4853 11.5771 11.5771 12.3311 12.3311 12.3486 12.3486 12.4814 12.4814 12.5472 12.5472 12.5992 12.5992 12.7016 12.7016 13.4215 13.4215 13.4396 13.4396 13.8443 13.8443 14.1009 14.1009 14.1440 14.1440 15.5101 15.5101 15.5214 15.5214 15.6018 15.6018 17.1437 17.1437 20.8069 20.8069 k = 0.4014 0.4014 0.4014 ( 1884 PWs) bands (ev): -1.3151 -1.3151 -0.6821 -0.6821 -0.6463 -0.6463 0.0998 0.0998 0.2200 0.2200 0.2249 0.2249 6.9438 6.9438 7.0603 7.0603 7.0808 7.0808 8.5181 8.5181 11.1763 11.1763 11.5095 11.5095 11.6037 11.6037 12.3362 12.3362 12.3557 12.3557 12.4701 12.4701 12.5361 12.5361 12.5863 12.5863 12.6871 12.6871 13.4255 13.4255 13.4429 13.4429 13.8425 13.8425 14.0696 14.0696 14.1113 14.1113 15.4828 15.4828 15.5035 15.5035 15.5906 15.5906 17.0072 17.0072 20.9156 20.9156 k = 0.4085 0.4085 0.4085 ( 1878 PWs) bands (ev): -1.2941 -1.2941 -0.6825 -0.6825 -0.6495 -0.6495 0.0964 0.0964 0.2207 0.2207 0.2249 0.2249 6.9460 6.9460 7.0412 7.0412 7.0621 7.0621 8.5283 8.5283 11.2214 11.2214 11.5350 11.5350 11.6313 11.6313 12.3388 12.3388 12.3615 12.3615 12.4591 12.4591 12.5251 12.5251 12.5749 12.5749 12.6707 12.6707 13.4287 13.4287 13.4452 13.4452 13.8406 13.8406 14.0391 14.0391 14.0792 14.0792 15.4586 15.4586 15.4852 15.4852 15.5806 15.5806 16.8770 16.8770 21.0267 21.0267 k = 0.4155 0.4155 0.4155 ( 1881 PWs) bands (ev): -1.2741 -1.2741 -0.6829 -0.6829 -0.6530 -0.6530 0.0930 0.0930 0.2213 0.2213 0.2249 0.2249 6.9466 6.9466 7.0235 7.0235 7.0447 7.0447 8.5394 8.5394 11.2691 11.2691 11.5617 11.5617 11.6600 11.6600 12.3387 12.3387 12.3657 12.3657 12.4483 12.4483 12.5137 12.5137 12.5650 12.5650 12.6523 12.6523 13.4307 13.4307 13.4461 13.4461 13.8386 13.8386 14.0099 14.0099 14.0481 14.0481 15.4373 15.4373 15.4675 15.4675 15.5702 15.5702 16.7547 16.7547 21.1393 21.1393 k = 0.4225 0.4225 0.4225 ( 1881 PWs) bands (ev): -1.2550 -1.2550 -0.6834 -0.6834 -0.6567 -0.6567 0.0897 0.0897 0.2218 0.2218 0.2248 0.2248 6.9461 6.9461 7.0073 7.0073 7.0289 7.0289 8.5510 8.5510 11.3190 11.3190 11.5897 11.5897 11.6895 11.6895 12.3357 12.3357 12.3683 12.3683 12.4380 12.4380 12.5023 12.5023 12.5568 12.5568 12.6318 12.6318 13.4317 13.4317 13.4458 13.4458 13.8363 13.8363 13.9826 13.9826 14.0187 14.0187 15.4185 15.4185 15.4511 15.4511 15.5585 15.5585 16.6413 16.6413 21.2527 21.2527 k = 0.4296 0.4296 0.4296 ( 1880 PWs) bands (ev): -1.2369 -1.2369 -0.6838 -0.6838 -0.6604 -0.6604 0.0866 0.0866 0.2222 0.2222 0.2248 0.2248 6.9447 6.9447 6.9925 6.9925 7.0146 7.0146 8.5627 8.5627 11.3705 11.3705 11.6188 11.6188 11.7196 11.7196 12.3298 12.3298 12.3694 12.3694 12.4283 12.4283 12.4909 12.4909 12.5501 12.5501 12.6092 12.6092 13.4318 13.4318 13.4444 13.4444 13.8336 13.8336 13.9576 13.9576 13.9913 13.9913 15.4021 15.4021 15.4359 15.4359 15.5450 15.5450 16.5382 16.5382 21.3660 21.3660 k = 0.4366 0.4366 0.4366 ( 1880 PWs) bands (ev): -1.2200 -1.2200 -0.6842 -0.6842 -0.6641 -0.6641 0.0835 0.0835 0.2227 0.2227 0.2247 0.2247 6.9426 6.9426 6.9791 6.9791 7.0018 7.0018 8.5742 8.5742 11.4228 11.4228 11.6492 11.6492 11.7500 11.7500 12.3212 12.3212 12.3686 12.3686 12.4190 12.4190 12.4798 12.4798 12.5447 12.5447 12.5847 12.5847 13.4308 13.4308 13.4418 13.4418 13.8304 13.8304 13.9354 13.9354 13.9664 13.9664 15.3880 15.3880 15.4220 15.4220 15.5293 15.5293 16.4461 16.4461 21.4784 21.4784 k = 0.4437 0.4437 0.4437 ( 1880 PWs) bands (ev): -1.2044 -1.2044 -0.6845 -0.6845 -0.6679 -0.6679 0.0806 0.0806 0.2230 0.2230 0.2247 0.2247 6.9399 6.9399 6.9671 6.9671 6.9906 6.9906 8.5853 8.5853 11.4749 11.4749 11.6811 11.6811 11.7803 11.7803 12.3100 12.3100 12.3656 12.3656 12.4097 12.4097 12.4694 12.4694 12.5404 12.5404 12.5588 12.5588 13.4291 13.4291 13.4383 13.4383 13.8265 13.8265 13.9165 13.9165 13.9442 13.9442 15.3758 15.3758 15.4091 15.4091 15.5118 15.5118 16.3658 16.3658 21.5888 21.5888 k = 0.4507 0.4507 0.4507 ( 1880 PWs) bands (ev): -1.1902 -1.1902 -0.6848 -0.6848 -0.6715 -0.6715 0.0780 0.0780 0.2233 0.2233 0.2246 0.2246 6.9369 6.9369 6.9565 6.9565 6.9808 6.9808 8.5957 8.5957 11.5256 11.5256 11.7148 11.7148 11.8102 11.8102 12.2969 12.2969 12.3603 12.3603 12.3998 12.3998 12.4601 12.4601 12.5305 12.5305 12.5388 12.5388 13.4267 13.4267 13.4342 13.4342 13.8219 13.8219 13.9011 13.9011 13.9248 13.9248 15.3655 15.3655 15.3971 15.3971 15.4929 15.4929 16.2975 16.2975 21.6961 21.6961 k = 0.4577 0.4577 0.4577 ( 1880 PWs) bands (ev): -1.1775 -1.1775 -0.6851 -0.6851 -0.6749 -0.6749 0.0756 0.0756 0.2236 0.2236 0.2245 0.2245 6.9338 6.9338 6.9474 6.9474 6.9725 6.9725 8.6051 8.6051 11.5729 11.5729 11.7506 11.7506 11.8392 11.8392 12.2822 12.2822 12.3527 12.3527 12.3882 12.3882 12.4523 12.4523 12.5051 12.5051 12.5358 12.5358 13.4239 13.4239 13.4296 13.4296 13.8165 13.8165 13.8891 13.8891 13.9084 13.9084 15.3569 15.3569 15.3854 15.3854 15.4738 15.4738 16.2410 16.2410 21.7985 21.7986 k = 0.4648 0.4648 0.4648 ( 1880 PWs) bands (ev): -1.1665 -1.1665 -0.6854 -0.6854 -0.6780 -0.6780 0.0735 0.0735 0.2238 0.2238 0.2245 0.2245 6.9308 6.9308 6.9397 6.9397 6.9657 6.9657 8.6133 8.6133 11.6153 11.6153 11.7889 11.7889 11.8665 11.8665 12.2663 12.2663 12.3431 12.3431 12.3740 12.3740 12.4462 12.4462 12.4817 12.4817 12.5341 12.5341 13.4209 13.4209 13.4250 13.4250 13.8109 13.8109 13.8804 13.8804 13.8948 13.8948 15.3498 15.3498 15.3739 15.3739 15.4559 15.4559 16.1956 16.1956 21.8942 21.8942 k = 0.4718 0.4718 0.4718 ( 1880 PWs) bands (ev): -1.1573 -1.1573 -0.6856 -0.6856 -0.6807 -0.6807 0.0717 0.0717 0.2240 0.2240 0.2244 0.2244 6.9279 6.9279 6.9333 6.9333 6.9603 6.9603 8.6203 8.6203 11.6509 11.6509 11.8292 11.8292 11.8914 11.8914 12.2492 12.2492 12.3324 12.3324 12.3566 12.3566 12.4417 12.4417 12.4628 12.4628 12.5330 12.5330 13.4179 13.4179 13.4206 13.4206 13.8054 13.8054 13.8742 13.8742 13.8840 13.8840 15.3441 15.3441 15.3625 15.3625 15.4407 15.4407 16.1604 16.1604 21.9804 21.9804 k = 0.4789 0.4789 0.4789 ( 1880 PWs) bands (ev): -1.1500 -1.1500 -0.6857 -0.6857 -0.6829 -0.6829 0.0703 0.0703 0.2241 0.2241 0.2244 0.2244 6.9255 6.9255 6.9284 6.9284 6.9562 6.9562 8.6259 8.6259 11.6790 11.6790 11.8696 11.8696 11.9128 11.9128 12.2313 12.2313 12.3217 12.3217 12.3374 12.3374 12.4385 12.4385 12.4494 12.4494 12.5323 12.5323 13.4153 13.4153 13.4169 13.4169 13.8007 13.8007 13.8701 13.8701 13.8758 13.8758 15.3398 15.3398 15.3516 15.3516 15.4290 15.4290 16.1344 16.1344 22.0537 22.0537 k = 0.4859 0.4859 0.4859 ( 1880 PWs) bands (ev): -1.1447 -1.1447 -0.6859 -0.6859 -0.6846 -0.6846 0.0693 0.0693 0.2242 0.2242 0.2243 0.2243 6.9237 6.9237 6.9249 6.9249 6.9534 6.9534 8.6299 8.6299 11.6991 11.6991 11.9063 11.9063 11.9295 11.9295 12.2134 12.2134 12.3125 12.3125 12.3201 12.3201 12.4364 12.4364 12.4409 12.4409 12.5318 12.5318 13.4133 13.4133 13.4140 13.4140 13.7970 13.7970 13.8674 13.8674 13.8700 13.8700 15.3367 15.3367 15.3426 15.3426 15.4210 15.4210 16.1166 16.1166 22.1099 22.1099 k = 0.4930 0.4930 0.4930 ( 1880 PWs) bands (ev): -1.1414 -1.1414 -0.6859 -0.6859 -0.6856 -0.6856 0.0687 0.0687 0.2243 0.2243 0.2243 0.2243 6.9225 6.9225 6.9228 6.9228 6.9517 6.9517 8.6324 8.6324 11.7112 11.7112 11.9335 11.9335 11.9402 11.9402 12.1985 12.1985 12.3063 12.3063 12.3082 12.3082 12.4352 12.4352 12.4363 12.4363 12.5315 12.5315 13.4120 13.4120 13.4122 13.4122 13.7948 13.7948 13.8660 13.8660 13.8666 13.8666 15.3349 15.3349 15.3365 15.3365 15.4164 15.4164 16.1063 16.1063 22.1426 22.1427 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -1.1404 -1.1404 -0.6860 -0.6860 -0.6860 -0.6860 0.0685 0.0685 0.2242 0.2242 0.2242 0.2242 6.9220 6.9220 6.9220 6.9220 6.9511 6.9511 8.6332 8.6332 11.7152 11.7152 11.9438 11.9438 11.9438 11.9438 12.1920 12.1920 12.3038 12.3038 12.3038 12.3038 12.4346 12.4346 12.4346 12.4346 12.5312 12.5312 13.4115 13.4115 13.4115 13.4115 13.7937 13.7937 13.8652 13.8652 13.8652 13.8652 15.3342 15.3342 15.3342 15.3342 15.4148 15.4148 16.1029 16.1029 22.1496 22.1496 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -1.1404 -1.1404 -0.6860 -0.6860 -0.6860 -0.6860 0.0685 0.0685 0.2242 0.2242 0.2242 0.2242 6.9220 6.9220 6.9220 6.9220 6.9511 6.9511 8.6332 8.6332 11.7152 11.7152 11.9438 11.9438 11.9438 11.9438 12.1920 12.1920 12.3038 12.3038 12.3038 12.3038 12.4346 12.4346 12.4346 12.4346 12.5312 12.5312 13.4115 13.4115 13.4115 13.4115 13.7937 13.7937 13.8652 13.8652 13.8652 13.8652 15.3342 15.3342 15.3342 15.3342 15.4148 15.4148 16.1029 16.1029 22.1496 22.1496 k = 0.4914 0.5000 0.4914 ( 1888 PWs) bands (ev): -1.1414 -1.1414 -0.6859 -0.6859 -0.6857 -0.6857 0.0687 0.0687 0.2242 0.2242 0.2243 0.2243 6.9222 6.9222 6.9231 6.9231 6.9517 6.9517 8.6324 8.6324 11.7112 11.7112 11.9334 11.9334 11.9402 11.9402 12.1984 12.1984 12.3062 12.3062 12.3082 12.3082 12.4352 12.4352 12.4361 12.4361 12.5314 12.5314 13.4118 13.4118 13.4123 13.4123 13.7946 13.7946 13.8657 13.8657 13.8668 13.8668 15.3348 15.3348 15.3366 15.3366 15.4164 15.4164 16.1063 16.1063 22.1422 22.1422 k = 0.4828 0.5000 0.4828 ( 1888 PWs) bands (ev): -1.1447 -1.1447 -0.6859 -0.6859 -0.6846 -0.6846 0.0693 0.0693 0.2241 0.2241 0.2244 0.2244 6.9224 6.9224 6.9260 6.9260 6.9535 6.9535 8.6299 8.6299 11.6991 11.6991 11.9055 11.9055 11.9304 11.9304 12.2131 12.2131 12.3129 12.3129 12.3196 12.3196 12.4366 12.4366 12.4405 12.4405 12.5317 12.5317 13.4125 13.4125 13.4147 13.4147 13.7969 13.7969 13.8666 13.8666 13.8707 13.8707 15.3359 15.3359 15.3433 15.3433 15.4210 15.4210 16.1166 16.1166 22.1077 22.1079 k = 0.4741 0.5000 0.4741 ( 1884 PWs) bands (ev): -1.1500 -1.1500 -0.6857 -0.6857 -0.6830 -0.6830 0.0703 0.0703 0.2238 0.2238 0.2246 0.2246 6.9223 6.9223 6.9308 6.9308 6.9571 6.9571 8.6259 8.6259 11.6791 11.6791 11.8661 11.8661 11.9167 11.9167 12.2300 12.2300 12.3245 12.3245 12.3353 12.3353 12.4394 12.4394 12.4483 12.4483 12.5322 12.5322 13.4137 13.4137 13.4186 13.4186 13.8005 13.8005 13.8684 13.8684 13.8773 13.8773 15.3371 15.3371 15.3544 15.3544 15.4293 15.4293 16.1341 16.1341 22.0488 22.0489 k = 0.4655 0.5000 0.4655 ( 1884 PWs) bands (ev): -1.1573 -1.1573 -0.6855 -0.6855 -0.6808 -0.6808 0.0717 0.0717 0.2235 0.2235 0.2249 0.2249 6.9216 6.9216 6.9372 6.9372 6.9627 6.9627 8.6203 8.6203 11.6518 11.6518 11.8200 11.8200 11.9014 11.9014 12.2446 12.2446 12.3397 12.3397 12.3519 12.3519 12.4441 12.4441 12.4602 12.4602 12.5330 12.5330 13.4152 13.4152 13.4236 13.4236 13.8049 13.8049 13.8712 13.8712 13.8868 13.8868 15.3376 15.3376 15.3694 15.3694 15.4415 15.4415 16.1595 16.1595 21.9720 21.9720 k = 0.4569 0.5000 0.4569 ( 1880 PWs) bands (ev): -1.1665 -1.1665 -0.6853 -0.6853 -0.6781 -0.6781 0.0735 0.0735 0.2230 0.2230 0.2253 0.2253 6.9200 6.9200 6.9452 6.9452 6.9709 6.9709 8.6133 8.6133 11.6182 11.6182 11.7700 11.7700 11.8860 11.8860 12.2563 12.2563 12.3561 12.3561 12.3669 12.3669 12.4516 12.4516 12.4764 12.4764 12.5342 12.5342 13.4171 13.4171 13.4294 13.4294 13.8098 13.8098 13.8756 13.8756 13.8994 13.8994 15.3369 15.3369 15.3880 15.3880 15.4576 15.4576 16.1934 16.1934 21.8816 21.8816 k = 0.4483 0.5000 0.4483 ( 1880 PWs) bands (ev): -1.1775 -1.1775 -0.6850 -0.6850 -0.6750 -0.6750 0.0756 0.0756 0.2224 0.2224 0.2257 0.2257 6.9174 6.9174 6.9546 6.9546 6.9818 6.9818 8.6050 8.6050 11.5795 11.5795 11.7181 11.7181 11.8710 11.8710 12.2657 12.2657 12.3703 12.3703 12.3790 12.3790 12.4628 12.4628 12.4959 12.4959 12.5361 12.5361 13.4192 13.4192 13.4357 13.4357 13.8143 13.8143 13.8818 13.8818 13.9155 13.9155 15.3349 15.3349 15.4097 15.4097 15.4773 15.4773 16.2367 16.2367 21.7810 21.7810 k = 0.4397 0.5000 0.4397 ( 1880 PWs) bands (ev): -1.1901 -1.1901 -0.6847 -0.6847 -0.6716 -0.6716 0.0780 0.0780 0.2217 0.2217 0.2262 0.2262 6.9136 6.9136 6.9652 6.9652 6.9955 6.9955 8.5955 8.5955 11.5370 11.5370 11.6653 11.6653 11.8566 11.8566 12.2738 12.2738 12.3807 12.3807 12.3883 12.3883 12.4775 12.4775 12.5169 12.5169 12.5394 12.5394 13.4215 13.4215 13.4419 13.4419 13.8179 13.8179 13.8901 13.8901 13.9354 13.9354 15.3315 15.3315 15.4340 15.4340 15.5004 15.5004 16.2900 16.2900 21.6730 21.6730 k = 0.4310 0.5000 0.4310 ( 1880 PWs) bands (ev): -1.2042 -1.2042 -0.6843 -0.6843 -0.6680 -0.6680 0.0807 0.0807 0.2209 0.2209 0.2268 0.2268 6.9086 6.9086 6.9772 6.9772 7.0119 7.0119 8.5850 8.5850 11.4918 11.4918 11.6128 11.6128 11.8426 11.8426 12.2813 12.2813 12.3871 12.3871 12.3957 12.3957 12.4942 12.4942 12.5342 12.5342 12.5479 12.5479 13.4238 13.4238 13.4478 13.4478 13.8204 13.8204 13.9004 13.9004 13.9595 13.9595 15.3268 15.3268 15.4593 15.4593 15.5275 15.5275 16.3539 16.3539 21.5596 21.5596 k = 0.4224 0.5000 0.4224 ( 1880 PWs) bands (ev): -1.2197 -1.2197 -0.6839 -0.6839 -0.6642 -0.6642 0.0836 0.0836 0.2201 0.2201 0.2274 0.2274 6.9023 6.9023 6.9905 6.9905 7.0310 7.0310 8.5736 8.5736 11.4447 11.4447 11.5613 11.5613 11.8291 11.8291 12.2884 12.2884 12.3908 12.3908 12.4018 12.4018 12.5112 12.5112 12.5425 12.5425 12.5661 12.5661 13.4261 13.4261 13.4531 13.4531 13.8216 13.8216 13.9121 13.9121 13.9883 13.9883 15.3209 15.3209 15.4838 15.4838 15.5596 15.5596 16.4285 16.4285 21.4424 21.4424 k = 0.4138 0.5000 0.4138 ( 1880 PWs) bands (ev): -1.2365 -1.2365 -0.6834 -0.6834 -0.6604 -0.6604 0.0868 0.0868 0.2191 0.2191 0.2280 0.2280 6.8946 6.8946 7.0053 7.0053 7.0525 7.0525 8.5618 8.5618 11.3961 11.3961 11.5118 11.5118 11.8157 11.8157 12.2951 12.2951 12.3926 12.3926 12.4066 12.4066 12.5269 12.5269 12.5497 12.5497 12.5860 12.5860 13.4282 13.4282 13.4574 13.4574 13.8219 13.8219 13.9246 13.9246 14.0220 14.0220 15.3139 15.3139 15.5058 15.5058 15.5981 15.5981 16.5138 16.5138 21.3226 21.3226 k = 0.4052 0.5000 0.4052 ( 1882 PWs) bands (ev): -1.2543 -1.2543 -0.6829 -0.6829 -0.6566 -0.6566 0.0900 0.0900 0.2180 0.2180 0.2287 0.2287 6.8853 6.8853 7.0215 7.0215 7.0764 7.0764 8.5496 8.5496 11.3463 11.3463 11.4649 11.4649 11.8026 11.8026 12.3013 12.3013 12.3933 12.3933 12.4103 12.4103 12.5401 12.5401 12.5589 12.5589 12.6046 12.6046 13.4301 13.4301 13.4605 13.4605 13.8213 13.8213 13.9372 13.9372 14.0606 14.0606 15.3058 15.3058 15.5244 15.5244 15.6436 15.6436 16.6094 16.6094 21.2013 21.2013 k = 0.3966 0.5000 0.3966 ( 1878 PWs) bands (ev): -1.2732 -1.2732 -0.6824 -0.6824 -0.6528 -0.6528 0.0935 0.0935 0.2169 0.2169 0.2295 0.2295 6.8745 6.8745 7.0393 7.0393 7.1027 7.1027 8.5374 8.5374 11.2955 11.2955 11.4212 11.4212 11.7897 11.7897 12.3069 12.3069 12.3934 12.3934 12.4131 12.4131 12.5510 12.5510 12.5703 12.5703 12.6215 12.6215 13.4318 13.4318 13.4626 13.4626 13.8200 13.8200 13.9497 13.9497 14.1040 14.1040 15.2967 15.2967 15.5400 15.5400 15.6957 15.6957 16.7147 16.7147 21.0791 21.0791 k = 0.3879 0.5000 0.3879 ( 1888 PWs) bands (ev): -1.2929 -1.2929 -0.6819 -0.6819 -0.6492 -0.6492 0.0969 0.0969 0.2156 0.2156 0.2302 0.2302 6.8618 6.8618 7.0585 7.0585 7.1311 7.1311 8.5254 8.5254 11.2438 11.2438 11.3812 11.3812 11.7769 11.7769 12.3114 12.3114 12.3931 12.3931 12.4149 12.4149 12.5604 12.5604 12.5827 12.5827 12.6364 12.6364 13.4330 13.4330 13.4633 13.4633 13.8182 13.8182 13.9615 13.9615 14.1521 14.1521 15.2864 15.2864 15.5530 15.5530 15.7539 15.7539 16.8288 16.8288 20.9568 20.9568 k = 0.3793 0.5000 0.3793 ( 1888 PWs) bands (ev): -1.3134 -1.3134 -0.6814 -0.6814 -0.6458 -0.6458 0.1005 0.1005 0.2142 0.2142 0.2310 0.2310 6.8471 6.8471 7.0794 7.0794 7.1618 7.1618 8.5140 8.5140 11.1915 11.1915 11.3450 11.3450 11.7644 11.7644 12.3148 12.3148 12.3924 12.3924 12.4163 12.4163 12.5690 12.5690 12.5961 12.5961 12.6497 12.6497 13.4340 13.4340 13.4628 13.4628 13.8160 13.8160 13.9724 13.9724 14.2048 14.2048 15.2752 15.2752 15.5638 15.5638 15.8178 15.8178 16.9510 16.9510 20.8351 20.8351 k = 0.3707 0.5000 0.3707 ( 1876 PWs) bands (ev): -1.3345 -1.3345 -0.6808 -0.6808 -0.6425 -0.6425 0.1041 0.1041 0.2129 0.2129 0.2318 0.2318 6.8305 6.8305 7.1020 7.1020 7.1947 7.1947 8.5036 8.5036 11.1389 11.1389 11.3128 11.3128 11.7522 11.7522 12.3167 12.3167 12.3914 12.3914 12.4182 12.4182 12.5768 12.5768 12.6105 12.6105 12.6613 12.6613 13.4346 13.4346 13.4613 13.4613 13.8134 13.8134 13.9823 13.9823 14.2619 14.2619 15.2630 15.2630 15.5730 15.5730 15.8870 15.8870 17.0804 17.0804 20.7147 20.7147 k = 0.3621 0.5000 0.3621 ( 1876 PWs) bands (ev): -1.3561 -1.3561 -0.6803 -0.6803 -0.6395 -0.6395 0.1077 0.1077 0.2114 0.2114 0.2325 0.2325 6.8116 6.8116 7.1260 7.1260 7.2296 7.2296 8.4943 8.4943 11.0861 11.0861 11.2844 11.2844 11.7402 11.7402 12.3166 12.3166 12.3893 12.3893 12.4207 12.4207 12.5831 12.5831 12.6261 12.6261 12.6716 12.6716 13.4348 13.4348 13.4587 13.4587 13.8104 13.8104 13.9907 13.9907 14.3231 14.3231 15.2497 15.2497 15.5808 15.5808 15.9606 15.9606 17.2159 17.2159 20.5959 20.5959 k = 0.3534 0.5000 0.3534 ( 1868 PWs) bands (ev): -1.3783 -1.3783 -0.6797 -0.6797 -0.6367 -0.6367 0.1113 0.1113 0.2098 0.2098 0.2333 0.2333 6.7906 6.7906 7.1517 7.1517 7.2666 7.2666 8.4864 8.4864 11.0334 11.0334 11.2599 11.2599 11.7285 11.7285 12.3147 12.3147 12.3863 12.3863 12.4245 12.4245 12.5881 12.5881 12.6429 12.6429 12.6812 12.6812 13.4347 13.4347 13.4550 13.4550 13.8071 13.8071 13.9978 13.9978 14.3883 14.3883 15.2354 15.2354 15.5875 15.5875 16.0383 16.0383 17.3566 17.3566 20.4795 20.4795 k = 0.3448 0.5000 0.3448 ( 1868 PWs) bands (ev): -1.4008 -1.4008 -0.6792 -0.6792 -0.6342 -0.6342 0.1148 0.1148 0.2081 0.2081 0.2339 0.2339 6.7672 6.7672 7.1791 7.1791 7.3055 7.3055 8.4802 8.4802 10.9810 10.9810 11.2390 11.2390 11.7172 11.7172 12.3105 12.3105 12.3820 12.3820 12.4298 12.4298 12.5918 12.5918 12.6598 12.6598 12.6911 12.6911 13.4340 13.4340 13.4504 13.4504 13.8034 13.8034 14.0034 14.0034 14.4571 14.4571 15.2199 15.2199 15.5935 15.5935 16.1193 16.1193 17.5016 17.5016 20.3661 20.3661 k = 0.3362 0.5000 0.3362 ( 1868 PWs) bands (ev): -1.4236 -1.4236 -0.6787 -0.6787 -0.6319 -0.6319 0.1182 0.1182 0.2064 0.2064 0.2345 0.2345 6.7416 6.7416 7.2080 7.2080 7.3463 7.3463 8.4760 8.4760 10.9291 10.9291 11.2216 11.2216 11.7062 11.7062 12.3042 12.3042 12.3768 12.3768 12.4364 12.4364 12.5945 12.5945 12.6744 12.6744 12.7038 12.7038 13.4328 13.4328 13.4449 13.4449 13.7995 13.7995 14.0075 14.0075 14.5294 14.5294 15.2035 15.2035 15.5988 15.5988 16.2029 16.2029 17.6498 17.6498 20.2564 20.2564 k = 0.3276 0.5000 0.3276 ( 1880 PWs) bands (ev): -1.4467 -1.4467 -0.6782 -0.6782 -0.6300 -0.6300 0.1215 0.1215 0.2046 0.2046 0.2350 0.2350 6.7136 6.7136 7.2386 7.2386 7.3889 7.3889 8.4737 8.4737 10.8775 10.8775 11.2076 11.2076 11.6954 11.6954 12.2958 12.2958 12.3709 12.3709 12.4439 12.4439 12.5963 12.5963 12.6845 12.6845 12.7216 12.7216 13.4310 13.4310 13.4388 13.4388 13.7952 13.7952 14.0100 14.0100 14.6049 14.6049 15.1859 15.1859 15.6037 15.6037 16.2879 16.2879 17.8001 17.8001 20.1512 20.1512 k = 0.3190 0.5000 0.3190 ( 1880 PWs) bands (ev): -1.4699 -1.4699 -0.6777 -0.6777 -0.6284 -0.6284 0.1247 0.1247 0.2027 0.2027 0.2355 0.2355 6.6835 6.6835 7.2709 7.2709 7.4334 7.4334 8.4737 8.4737 10.8267 10.8267 11.1968 11.1968 11.6851 11.6851 12.2853 12.2853 12.3648 12.3648 12.4523 12.4523 12.5978 12.5978 12.6911 12.6911 12.7437 12.7437 13.4285 13.4285 13.4323 13.4323 13.7907 13.7907 14.0113 14.0113 14.6837 14.6837 15.1674 15.1674 15.6085 15.6085 16.3736 16.3736 17.9516 17.9516 20.0515 20.0515 k = 0.3103 0.5000 0.3103 ( 1886 PWs) bands (ev): -1.4932 -1.4932 -0.6773 -0.6773 -0.6270 -0.6270 0.1279 0.1279 0.2007 0.2007 0.2358 0.2358 6.6514 6.6514 7.3047 7.3047 7.4795 7.4795 8.4761 8.4761 10.7765 10.7765 11.1890 11.1890 11.6752 11.6752 12.2725 12.2725 12.3587 12.3587 12.4613 12.4613 12.5989 12.5989 12.6956 12.6956 12.7683 12.7683 13.4231 13.4231 13.4275 13.4275 13.7860 13.7860 14.0113 14.0113 14.7653 14.7653 15.1481 15.1481 15.6132 15.6132 16.4586 16.4586 18.1030 18.1030 19.9583 19.9583 k = 0.3017 0.5000 0.3017 ( 1886 PWs) bands (ev): -1.5166 -1.5166 -0.6769 -0.6769 -0.6260 -0.6260 0.1309 0.1309 0.1987 0.1987 0.2360 0.2360 6.6174 6.6174 7.3402 7.3402 7.5272 7.5272 8.4807 8.4807 10.7270 10.7270 11.1842 11.1842 11.6656 11.6656 12.2577 12.2577 12.3529 12.3529 12.4707 12.4707 12.6002 12.6002 12.6991 12.6991 12.7946 12.7946 13.4152 13.4152 13.4242 13.4242 13.7811 13.7811 14.0103 14.0103 14.8492 14.8492 15.1283 15.1283 15.6180 15.6180 16.5418 16.5418 18.2532 18.2532 19.8728 19.8728 k = 0.2931 0.5000 0.2931 ( 1886 PWs) bands (ev): -1.5399 -1.5399 -0.6765 -0.6765 -0.6252 -0.6252 0.1338 0.1338 0.1967 0.1967 0.2361 0.2361 6.5818 6.5818 7.3773 7.3773 7.5767 7.5767 8.4877 8.4877 10.6782 10.6782 11.1822 11.1822 11.6563 11.6563 12.2410 12.2410 12.3476 12.3476 12.4803 12.4803 12.6019 12.6019 12.7020 12.7020 12.8223 12.8223 13.4063 13.4063 13.4209 13.4209 13.7759 13.7759 14.0081 14.0081 14.9336 14.9336 15.1095 15.1095 15.6231 15.6231 16.6213 16.6213 18.4006 18.4006 19.7964 19.7964 k = 0.2845 0.5000 0.2845 ( 1886 PWs) bands (ev): -1.5631 -1.5631 -0.6761 -0.6761 -0.6246 -0.6246 0.1366 0.1366 0.1946 0.1946 0.2361 0.2361 6.5446 6.5446 7.4159 7.4159 7.6274 7.6274 8.4970 8.4970 10.6301 10.6301 11.1827 11.1827 11.6474 11.6474 12.2222 12.2222 12.3426 12.3426 12.4901 12.4901 12.6039 12.6039 12.7045 12.7045 12.8509 12.8509 13.3970 13.3970 13.4171 13.4171 13.7706 13.7706 14.0051 14.0051 15.0094 15.0094 15.1010 15.1010 15.6285 15.6285 16.6958 16.6958 18.5439 18.5439 19.7306 19.7306 k = 0.2759 0.5000 0.2759 ( 1882 PWs) bands (ev): -1.5862 -1.5862 -0.6758 -0.6758 -0.6243 -0.6243 0.1393 0.1393 0.1924 0.1924 0.2359 0.2359 6.5060 6.5060 7.4563 7.4563 7.6795 7.6795 8.5084 8.5084 10.5828 10.5828 11.1856 11.1856 11.6388 11.6388 12.2016 12.2016 12.3381 12.3381 12.4999 12.4999 12.6068 12.6068 12.7068 12.7068 12.8803 12.8803 13.3874 13.3874 13.4128 13.4128 13.7651 13.7651 14.0013 14.0013 15.0325 15.0325 15.1468 15.1468 15.6344 15.6344 16.7635 16.7635 18.6815 18.6815 19.6771 19.6771 k = 0.2672 0.5000 0.2672 ( 1882 PWs) bands (ev): -1.6091 -1.6091 -0.6755 -0.6755 -0.6243 -0.6243 0.1419 0.1419 0.1903 0.1903 0.2355 0.2355 6.4665 6.4665 7.4980 7.4980 7.7329 7.7329 8.5219 8.5219 10.5362 10.5362 11.1905 11.1905 11.6305 11.6305 12.1794 12.1794 12.3342 12.3342 12.5094 12.5094 12.6102 12.6102 12.7090 12.7090 12.9104 12.9104 13.3772 13.3772 13.4083 13.4083 13.7595 13.7595 13.9969 13.9969 15.0153 15.0153 15.2340 15.2340 15.6409 15.6409 16.8224 16.8224 18.8114 18.8114 19.6374 19.6374 k = 0.2586 0.5000 0.2586 ( 1882 PWs) bands (ev): -1.6318 -1.6318 -0.6753 -0.6753 -0.6245 -0.6245 0.1443 0.1443 0.1880 0.1880 0.2350 0.2350 6.4260 6.4260 7.5412 7.5412 7.7874 7.7874 8.5374 8.5374 10.4902 10.4902 11.1974 11.1974 11.6224 11.6224 12.1557 12.1557 12.3309 12.3309 12.5186 12.5186 12.6145 12.6145 12.7113 12.7113 12.9409 12.9409 13.3667 13.3667 13.4035 13.4035 13.7537 13.7537 13.9920 13.9920 14.9904 14.9904 15.3302 15.3302 15.6481 15.6481 16.8710 16.8710 18.9321 18.9321 19.6133 19.6133 k = 0.2500 0.5000 0.2500 ( 1882 PWs) bands (ev): -1.6541 -1.6541 -0.6751 -0.6751 -0.6250 -0.6250 0.1467 0.1467 0.1858 0.1858 0.2344 0.2344 6.3850 6.3850 7.5859 7.5859 7.8429 7.8429 8.5548 8.5548 10.4450 10.4450 11.2060 11.2060 11.6146 11.6146 12.1306 12.1306 12.3282 12.3282 12.5274 12.5274 12.6198 12.6198 12.7137 12.7137 12.9718 12.9718 13.3558 13.3558 13.3983 13.3983 13.7478 13.7478 13.9868 13.9868 14.9626 14.9626 15.4303 15.4303 15.6563 15.6563 16.9076 16.9076 19.0418 19.0418 19.6060 19.6060 k = 0.2414 0.5000 0.2414 ( 1894 PWs) bands (ev): -1.6761 -1.6761 -0.6751 -0.6751 -0.6257 -0.6257 0.1489 0.1489 0.1835 0.1835 0.2335 0.2335 6.3437 6.3437 7.6319 7.6319 7.8993 7.8993 8.5738 8.5738 10.4002 10.4002 11.2161 11.2161 11.6068 11.6068 12.1044 12.1044 12.3259 12.3259 12.5357 12.5357 12.6260 12.6260 12.7164 12.7164 13.0027 13.0027 13.3447 13.3447 13.3926 13.3926 13.7416 13.7416 13.9812 13.9812 14.9329 14.9329 15.5330 15.5330 15.6657 15.6657 16.9312 16.9312 19.1389 19.1389 19.6163 19.6163 k = 0.2328 0.5000 0.2328 ( 1894 PWs) bands (ev): -1.6978 -1.6978 -0.6750 -0.6750 -0.6265 -0.6265 0.1509 0.1509 0.1812 0.1812 0.2325 0.2325 6.3022 6.3022 7.6794 7.6794 7.9565 7.9565 8.5942 8.5942 10.3562 10.3562 11.2275 11.2275 11.5994 11.5994 12.0771 12.0771 12.3245 12.3245 12.5435 12.5435 12.6332 12.6332 12.7197 12.7197 13.0337 13.0337 13.3335 13.3335 13.3867 13.3867 13.7355 13.7355 13.9756 13.9756 14.9017 14.9017 15.6346 15.6346 15.6798 15.6798 16.9417 16.9417 19.2222 19.2222 19.6449 19.6449 k = 0.2241 0.5000 0.2241 ( 1894 PWs) bands (ev): -1.7190 -1.7190 -0.6750 -0.6750 -0.6276 -0.6276 0.1529 0.1529 0.1789 0.1789 0.2314 0.2314 6.2608 6.2608 7.7281 7.7281 8.0144 8.0144 8.6161 8.6161 10.3128 10.3128 11.2401 11.2401 11.5921 11.5921 12.0489 12.0489 12.3238 12.3238 12.5509 12.5509 12.6413 12.6413 12.7236 12.7236 13.0644 13.0644 13.3222 13.3222 13.3805 13.3805 13.7295 13.7295 13.9699 13.9699 14.8690 14.8690 15.6806 15.6806 15.7530 15.7530 16.9389 16.9389 19.2906 19.2906 19.6912 19.6912 k = 0.2155 0.5000 0.2155 ( 1892 PWs) bands (ev): -1.7397 -1.7397 -0.6750 -0.6750 -0.6287 -0.6287 0.1548 0.1548 0.1767 0.1767 0.2301 0.2301 6.2198 6.2198 7.7782 7.7782 8.0729 8.0729 8.6390 8.6390 10.2700 10.2700 11.2535 11.2535 11.5851 11.5851 12.0197 12.0197 12.3239 12.3239 12.5579 12.5579 12.6500 12.6500 12.7284 12.7284 13.0946 13.0946 13.3110 13.3110 13.3740 13.3740 13.7235 13.7235 13.9645 13.9645 14.8351 14.8351 15.6945 15.6945 15.8617 15.8617 16.9237 16.9237 19.3438 19.3438 19.7544 19.7544 k = 0.2069 0.5000 0.2069 ( 1904 PWs) bands (ev): -1.7600 -1.7600 -0.6752 -0.6752 -0.6301 -0.6301 0.1564 0.1564 0.1745 0.1745 0.2287 0.2287 6.1791 6.1791 7.8293 7.8293 8.1316 8.1316 8.6630 8.6630 10.2276 10.2276 11.2676 11.2676 11.5781 11.5781 11.9901 11.9901 12.3244 12.3244 12.5645 12.5645 12.6592 12.6592 12.7337 12.7337 13.1236 13.1236 13.2997 13.2997 13.3671 13.3671 13.7176 13.7176 13.9589 13.9589 14.7998 14.7998 15.7081 15.7081 15.9740 15.9740 16.8973 16.8973 19.3819 19.3819 19.8331 19.8331 k = 0.1983 0.5000 0.1983 ( 1900 PWs) bands (ev): -1.7797 -1.7797 -0.6753 -0.6753 -0.6315 -0.6315 0.1579 0.1579 0.1724 0.1724 0.2272 0.2272 6.1392 6.1392 7.8816 7.8816 8.1905 8.1905 8.6877 8.6877 10.1857 10.1857 11.2823 11.2823 11.5713 11.5713 11.9600 11.9600 12.3258 12.3258 12.5709 12.5709 12.6689 12.6689 12.7402 12.7402 13.1513 13.1513 13.2895 13.2895 13.3603 13.3603 13.7120 13.7120 13.9539 13.9539 14.7636 14.7636 15.7226 15.7226 16.0887 16.0887 16.8612 16.8612 19.4055 19.4055 19.9257 19.9257 k = 0.1897 0.5000 0.1897 ( 1904 PWs) bands (ev): -1.7988 -1.7988 -0.6755 -0.6755 -0.6330 -0.6330 0.1591 0.1591 0.1705 0.1705 0.2255 0.2255 6.1001 6.1001 7.9348 7.9348 8.2495 8.2495 8.7130 8.7130 10.1442 10.1442 11.2973 11.2973 11.5646 11.5646 11.9295 11.9295 12.3278 12.3278 12.5772 12.5772 12.6788 12.6788 12.7477 12.7477 13.1761 13.1761 13.2809 13.2809 13.3534 13.3534 13.7067 13.7067 13.9493 13.9493 14.7262 14.7262 15.7383 15.7383 16.2053 16.2053 16.8169 16.8169 19.4154 19.4154 20.0304 20.0304 k = 0.1810 0.5000 0.1810 ( 1896 PWs) bands (ev): -1.8173 -1.8173 -0.6758 -0.6758 -0.6346 -0.6346 0.1598 0.1598 0.1690 0.1690 0.2238 0.2238 6.0620 6.0620 7.9891 7.9891 8.3083 8.3083 8.7389 8.7389 10.1031 10.1031 11.3123 11.3123 11.5581 11.5581 11.8990 11.8990 12.3308 12.3308 12.5834 12.5834 12.6889 12.6889 12.7563 12.7563 13.1958 13.1958 13.2759 13.2759 13.3469 13.3469 13.7018 13.7018 13.9451 13.9451 14.6880 14.6880 15.7554 15.7554 16.3238 16.3238 16.7663 16.7663 19.4126 19.4126 20.1456 20.1456 k = 0.1724 0.5000 0.1724 ( 1890 PWs) bands (ev): -1.8352 -1.8352 -0.6761 -0.6761 -0.6362 -0.6362 0.1599 0.1599 0.1682 0.1682 0.2220 0.2220 6.0249 6.0249 8.0442 8.0442 8.3668 8.3668 8.7649 8.7649 10.0625 10.0625 11.3274 11.3274 11.5517 11.5517 11.8683 11.8683 12.3344 12.3344 12.5895 12.5895 12.6992 12.6992 12.7659 12.7659 13.2066 13.2066 13.2769 13.2769 13.3418 13.3418 13.6974 13.6974 13.9415 13.9415 14.6488 14.6488 15.7737 15.7737 16.4435 16.4435 16.7111 16.7111 19.3986 19.3986 20.2695 20.2695 k = 0.1638 0.5000 0.1638 ( 1890 PWs) bands (ev): -1.8524 -1.8524 -0.6765 -0.6765 -0.6379 -0.6379 0.1591 0.1591 0.1682 0.1682 0.2202 0.2202 5.9891 5.9891 8.1001 8.1001 8.4246 8.4246 8.7910 8.7910 10.0219 10.0219 11.3421 11.3421 11.5455 11.5455 11.8376 11.8376 12.3385 12.3385 12.5955 12.5955 12.7096 12.7096 12.7764 12.7764 13.2071 13.2071 13.2831 13.2831 13.3399 13.3399 13.6938 13.6938 13.9385 13.9385 14.6090 14.6090 15.7935 15.7935 16.5613 16.5613 16.6556 16.6556 19.3746 19.3746 20.4003 20.4003 k = 0.1552 0.5000 0.1552 ( 1894 PWs) bands (ev): -1.8689 -1.8689 -0.6770 -0.6770 -0.6396 -0.6396 0.1577 0.1577 0.1686 0.1686 0.2183 0.2183 5.9546 5.9546 8.1566 8.1566 8.4816 8.4816 8.8171 8.8171 9.9815 9.9815 11.3564 11.3564 11.5394 11.5394 11.8070 11.8070 12.3430 12.3430 12.6015 12.6015 12.7204 12.7204 12.7876 12.7876 13.2011 13.2011 13.2873 13.2873 13.3446 13.3446 13.6910 13.6910 13.9361 13.9361 14.5685 14.5685 15.8145 15.8145 16.5817 16.5817 16.6965 16.6965 19.3419 19.3419 20.5292 20.5292 k = 0.1466 0.5000 0.1466 ( 1898 PWs) bands (ev): -1.8846 -1.8846 -0.6775 -0.6775 -0.6413 -0.6413 0.1560 0.1560 0.1694 0.1694 0.2163 0.2163 5.9216 5.9216 8.2137 8.2137 8.5377 8.5377 8.8429 8.8429 9.9412 9.9412 11.3701 11.3701 11.5334 11.5334 11.7768 11.7768 12.3482 12.3482 12.6073 12.6073 12.7316 12.7316 12.7995 12.7995 13.1922 13.1922 13.2853 13.2853 13.3565 13.3565 13.6894 13.6894 13.9343 13.9343 14.5276 14.5276 15.8369 15.8369 16.5211 16.5211 16.8181 16.8181 19.3019 19.3019 20.5400 20.5400 k = 0.1379 0.5000 0.1379 ( 1898 PWs) bands (ev): -1.8996 -1.8996 -0.6781 -0.6781 -0.6429 -0.6429 0.1542 0.1542 0.1702 0.1702 0.2144 0.2144 5.8901 5.8901 8.2712 8.2712 8.5925 8.5925 8.8682 8.8682 9.9010 9.9010 11.3832 11.3832 11.5276 11.5276 11.7470 11.7470 12.3539 12.3539 12.6130 12.6130 12.7433 12.7433 12.8118 12.8118 13.1819 13.1819 13.2787 13.2787 13.3720 13.3720 13.6891 13.6891 13.9332 13.9332 14.4865 14.4865 15.8606 15.8606 16.4575 16.4575 16.9434 16.9434 19.2559 19.2559 20.5373 20.5373 k = 0.1293 0.5000 0.1293 ( 1900 PWs) bands (ev): -1.9139 -1.9139 -0.6787 -0.6787 -0.6445 -0.6445 0.1523 0.1523 0.1710 0.1710 0.2125 0.2125 5.8602 5.8602 8.3291 8.3291 8.6458 8.6458 8.8930 8.8930 9.8607 9.8607 11.3955 11.3955 11.5222 11.5222 11.7177 11.7177 12.3600 12.3600 12.6184 12.6184 12.7556 12.7556 12.8244 12.8244 13.1710 13.1710 13.2698 13.2698 13.3880 13.3880 13.6904 13.6904 13.9330 13.9330 14.4454 14.4454 15.8854 15.8854 16.3937 16.3937 17.0699 17.0699 19.2049 19.2049 20.5383 20.5383 k = 0.1207 0.5000 0.1207 ( 1900 PWs) bands (ev): -1.9273 -1.9273 -0.6793 -0.6793 -0.6460 -0.6460 0.1505 0.1505 0.1718 0.1718 0.2107 0.2107 5.8319 5.8319 8.3873 8.3873 8.6974 8.6974 8.9171 8.9171 9.8204 9.8204 11.4070 11.4070 11.5169 11.5169 11.6893 11.6893 12.3665 12.3665 12.6236 12.6236 12.7687 12.7687 12.8372 12.8372 13.1601 13.1601 13.2594 13.2594 13.4028 13.4028 13.6935 13.6935 13.9334 13.9334 14.4044 14.4044 15.9112 15.9112 16.3308 16.3308 17.1970 17.1970 19.1504 19.1504 20.5433 20.5433 k = 0.1121 0.5000 0.1121 ( 1900 PWs) bands (ev): -1.9399 -1.9399 -0.6800 -0.6800 -0.6474 -0.6474 0.1488 0.1488 0.1725 0.1725 0.2089 0.2089 5.8054 5.8054 8.4455 8.4455 8.7469 8.7469 8.9403 8.9403 9.7798 9.7798 11.4176 11.4176 11.5118 11.5118 11.6620 11.6620 12.3732 12.3732 12.6285 12.6285 12.7824 12.7824 12.8500 12.8500 13.1493 13.1493 13.2480 13.2480 13.4159 13.4159 13.6985 13.6985 13.9343 13.9343 14.3638 14.3638 15.9380 15.9380 16.2694 16.2694 17.3244 17.3244 19.0933 19.0933 20.5521 20.5521 k = 0.1034 0.5000 0.1034 ( 1900 PWs) bands (ev): -1.9516 -1.9516 -0.6807 -0.6807 -0.6488 -0.6488 0.1471 0.1471 0.1732 0.1732 0.2072 0.2072 5.7807 5.7807 8.5039 8.5039 8.7943 8.7943 8.9625 8.9625 9.7389 9.7389 11.4272 11.4272 11.5068 11.5068 11.6357 11.6357 12.3801 12.3801 12.6331 12.6331 12.7968 12.7968 12.8628 12.8628 13.1388 13.1388 13.2360 13.2360 13.4269 13.4269 13.7056 13.7056 13.9357 13.9357 14.3238 14.3238 15.9653 15.9653 16.2102 16.2102 17.4514 17.4514 19.0348 19.0348 20.5647 20.5647 k = 0.0948 0.5000 0.0948 ( 1900 PWs) bands (ev): -1.9625 -1.9625 -0.6815 -0.6815 -0.6500 -0.6500 0.1455 0.1455 0.1738 0.1738 0.2056 0.2056 5.7578 5.7578 8.5621 8.5621 8.8390 8.8390 8.9836 8.9836 9.6977 9.6977 11.4359 11.4359 11.5023 11.5023 11.6108 11.6108 12.3871 12.3871 12.6373 12.6373 12.8118 12.8118 12.8753 12.8753 13.1288 13.1288 13.2233 13.2233 13.4357 13.4357 13.7146 13.7146 13.9377 13.9377 14.2846 14.2846 15.9930 15.9930 16.1538 16.1538 17.5776 17.5776 18.9759 18.9759 20.5806 20.5806 k = 0.0862 0.5000 0.0862 ( 1900 PWs) bands (ev): -1.9725 -1.9725 -0.6822 -0.6822 -0.6511 -0.6511 0.1441 0.1441 0.1743 0.1743 0.2041 0.2041 5.7368 5.7368 8.6200 8.6200 8.8810 8.8810 9.0033 9.0033 9.6560 9.6560 11.4436 11.4436 11.4979 11.4979 11.5875 11.5875 12.3941 12.3941 12.6410 12.6410 12.8271 12.8271 12.8877 12.8877 13.1192 13.1192 13.2102 13.2102 13.4423 13.4423 13.7253 13.7253 13.9401 13.9401 14.2465 14.2465 16.0203 16.0203 16.1008 16.1008 17.7021 17.7021 18.9180 18.9180 20.5995 20.5995 k = 0.0776 0.5000 0.0776 ( 1900 PWs) bands (ev): -1.9816 -1.9816 -0.6829 -0.6829 -0.6522 -0.6522 0.1427 0.1427 0.1747 0.1747 0.2028 0.2028 5.7177 5.7177 8.6775 8.6775 8.9198 8.9198 9.0217 9.0217 9.6140 9.6140 11.4504 11.4504 11.4940 11.4940 11.5657 11.5657 12.4009 12.4009 12.6443 12.6443 12.8426 12.8426 12.8998 12.8998 13.1102 13.1102 13.1965 13.1965 13.4471 13.4471 13.7376 13.7376 13.9426 13.9426 14.2096 14.2096 16.0400 16.0400 16.0589 16.0589 17.8240 17.8240 18.8620 18.8620 20.6208 20.6208 k = 0.0690 0.5000 0.0690 ( 1896 PWs) bands (ev): -1.9897 -1.9897 -0.6836 -0.6836 -0.6530 -0.6530 0.1415 0.1415 0.1750 0.1750 0.2016 0.2016 5.7006 5.7006 8.7345 8.7345 8.9554 8.9554 9.0387 9.0387 9.5714 9.5714 11.4566 11.4566 11.4906 11.4906 11.5457 11.5457 12.4075 12.4075 12.6471 12.6471 12.8580 12.8580 12.9118 12.9118 13.1017 13.1017 13.1825 13.1825 13.4505 13.4505 13.7513 13.7513 13.9450 13.9450 14.1743 14.1743 16.0027 16.0027 16.0772 16.0772 17.9418 17.9418 18.8094 18.8094 20.6440 20.6440 k = 0.0603 0.5000 0.0603 ( 1896 PWs) bands (ev): -1.9970 -1.9970 -0.6843 -0.6843 -0.6538 -0.6538 0.1404 0.1404 0.1753 0.1753 0.2005 0.2005 5.6854 5.6854 8.7908 8.7908 8.9872 8.9872 9.0541 9.0541 9.5284 9.5284 11.4616 11.4616 11.4874 11.4874 11.5277 11.5277 12.4137 12.4137 12.6496 12.6496 12.8727 12.8727 12.9240 12.9240 13.0939 13.0939 13.1682 13.1682 13.4525 13.4525 13.7659 13.7659 13.9472 13.9472 14.1409 14.1409 15.9618 15.9618 16.1021 16.1021 18.0538 18.0538 18.7616 18.7616 20.6683 20.6683 k = 0.0517 0.5000 0.0517 ( 1896 PWs) bands (ev): -2.0033 -2.0033 -0.6849 -0.6849 -0.6545 -0.6545 0.1394 0.1394 0.1755 0.1755 0.1996 0.1996 5.6722 5.6722 8.8461 8.8461 9.0150 9.0150 9.0679 9.0679 9.4849 9.4849 11.4658 11.4658 11.4846 11.4846 11.5118 11.5118 12.4194 12.4194 12.6516 12.6516 12.8861 12.8861 12.9366 12.9366 13.0867 13.0867 13.1539 13.1539 13.4538 13.4538 13.7813 13.7813 13.9489 13.9489 14.1099 14.1099 15.9252 15.9252 16.1257 16.1257 18.1573 18.1573 18.7203 18.7203 20.6928 20.6928 k = 0.0431 0.5000 0.0431 ( 1896 PWs) bands (ev): -2.0086 -2.0086 -0.6854 -0.6854 -0.6551 -0.6551 0.1385 0.1385 0.1756 0.1756 0.1989 0.1989 5.6610 5.6610 8.9002 8.9002 9.0386 9.0386 9.0801 9.0801 9.4410 9.4410 11.4691 11.4691 11.4822 11.4822 11.4982 11.4982 12.4244 12.4244 12.6532 12.6532 12.8976 12.8976 12.9501 12.9501 13.0797 13.0797 13.1399 13.1399 13.4543 13.4543 13.7972 13.7972 13.9495 13.9495 14.0817 14.0817 15.8936 15.8936 16.1470 16.1470 18.2488 18.2488 18.6878 18.6878 20.7165 20.7165 k = 0.0345 0.5000 0.0345 ( 1888 PWs) bands (ev): -2.0130 -2.0130 -0.6858 -0.6858 -0.6555 -0.6555 0.1379 0.1379 0.1757 0.1757 0.1983 0.1983 5.6518 5.6518 8.9524 8.9524 9.0577 9.0577 9.0910 9.0910 9.3973 9.3973 11.4714 11.4714 11.4804 11.4804 11.4874 11.4874 12.4288 12.4288 12.6545 12.6545 12.9070 12.9070 12.9647 12.9647 13.0725 13.0725 13.1268 13.1268 13.4546 13.4546 13.8134 13.8134 13.9486 13.9486 14.0574 14.0574 15.8674 15.8674 16.1655 16.1655 18.3238 18.3238 18.6670 18.6670 20.7382 20.7382 k = 0.0259 0.5000 0.0259 ( 1892 PWs) bands (ev): -2.0164 -2.0164 -0.6862 -0.6862 -0.6559 -0.6559 0.1373 0.1373 0.1757 0.1757 0.1978 0.1978 5.6447 5.6447 9.0019 9.0019 9.0721 9.0721 9.1003 9.1003 9.3544 9.3544 11.4715 11.4715 11.4782 11.4782 11.4809 11.4809 12.4322 12.4322 12.6554 12.6554 12.9139 12.9139 12.9799 12.9799 13.0643 13.0643 13.1154 13.1154 13.4545 13.4545 13.8293 13.8293 13.9451 13.9451 14.0377 14.0377 15.8466 15.8466 16.1805 16.1805 18.3772 18.3772 18.6602 18.6602 20.7568 20.7568 k = 0.0172 0.5000 0.0172 ( 1888 PWs) bands (ev): -2.0189 -2.0189 -0.6865 -0.6865 -0.6562 -0.6562 0.1370 0.1370 0.1757 0.1757 0.1975 0.1975 5.6395 5.6395 9.0461 9.0461 9.0821 9.0821 9.1081 9.1081 9.3141 9.3141 11.4682 11.4682 11.4768 11.4768 11.4796 11.4796 12.4349 12.4349 12.6560 12.6560 12.9186 12.9186 12.9959 12.9959 13.0542 13.0542 13.1069 13.1069 13.4544 13.4544 13.8442 13.8442 13.9392 13.9392 14.0239 14.0239 15.8317 15.8317 16.1917 16.1917 18.4083 18.4083 18.6655 18.6655 20.7711 20.7711 k = 0.0086 0.5000 0.0086 ( 1888 PWs) bands (ev): -2.0203 -2.0203 -0.6866 -0.6866 -0.6563 -0.6563 0.1367 0.1367 0.1757 0.1757 0.1973 0.1973 5.6365 5.6365 9.0778 9.0778 9.0899 9.0899 9.1146 9.1146 9.2812 9.2812 11.4649 11.4649 11.4765 11.4765 11.4794 11.4794 12.4364 12.4364 12.6564 12.6564 12.9214 12.9214 13.0119 13.0119 13.0419 13.0419 13.1019 13.1019 13.4543 13.4543 13.8558 13.8558 13.9323 13.9323 14.0160 14.0160 15.8227 15.8227 16.1985 16.1985 18.4222 18.4222 18.6748 18.6748 20.7801 20.7801 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -2.0208 -2.0208 -0.6867 -0.6867 -0.6564 -0.6564 0.1367 0.1367 0.1757 0.1757 0.1973 0.1973 5.6354 5.6354 9.0853 9.0853 9.0968 9.0968 9.1186 9.1186 9.2671 9.2671 11.4637 11.4637 11.4764 11.4764 11.4795 11.4795 12.4370 12.4370 12.6565 12.6565 12.9223 12.9223 13.0255 13.0255 13.0295 13.0295 13.1002 13.1002 13.4543 13.4543 13.8606 13.8606 13.9290 13.9290 14.0135 14.0135 15.8197 15.8197 16.2008 16.2008 18.4259 18.4259 18.6791 18.6791 20.7832 20.7832 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -1.6777 -1.6777 -0.6681 -0.6681 -0.5846 -0.5846 0.1718 0.1718 0.1841 0.1841 0.2716 0.2716 6.6853 6.6853 6.7148 6.7148 8.1915 8.1915 8.6095 8.6095 10.6185 10.6185 10.6880 10.6880 11.6429 11.6429 12.2832 12.2832 12.3607 12.3607 12.3665 12.3665 12.4947 12.4947 12.9672 12.9672 13.0858 13.0858 13.1524 13.1524 13.3752 13.3752 13.7990 13.7990 14.1709 14.1709 14.2821 14.2821 14.6185 14.6185 17.7501 17.7501 17.9221 17.9221 18.0285 18.0285 21.2706 21.2706 k = 0.5000 0.5000 0.0122 ( 1924 PWs) bands (ev): -1.6771 -1.6771 -0.6681 -0.6681 -0.5847 -0.5847 0.1718 0.1718 0.1840 0.1840 0.2715 0.2715 6.6857 6.6857 6.7152 6.7152 8.1920 8.1920 8.6067 8.6067 10.6191 10.6191 10.6887 10.6887 11.6431 11.6431 12.2834 12.2834 12.3611 12.3611 12.3668 12.3668 12.4952 12.4952 12.9655 12.9655 13.0768 13.0768 13.1615 13.1615 13.3753 13.3753 13.7988 13.7988 14.1708 14.1708 14.2819 14.2819 14.6200 14.6200 17.7555 17.7555 17.9170 17.9170 18.0233 18.0233 21.1800 21.1800 k = 0.5000 0.5000 0.0244 ( 1924 PWs) bands (ev): -1.6752 -1.6752 -0.6681 -0.6681 -0.5850 -0.5850 0.1720 0.1720 0.1835 0.1835 0.2713 0.2713 6.6869 6.6869 6.7164 6.7164 8.1936 8.1936 8.5982 8.5982 10.6210 10.6210 10.6906 10.6906 11.6439 11.6439 12.2839 12.2839 12.3626 12.3626 12.3675 12.3675 12.4964 12.4964 12.9604 12.9604 13.0573 13.0573 13.1812 13.1812 13.3755 13.3755 13.7981 13.7981 14.1703 14.1703 14.2816 14.2816 14.6244 14.6244 17.7719 17.7719 17.9020 17.9020 18.0079 18.0079 20.9957 20.9957 k = 0.5000 0.5000 0.0366 ( 1916 PWs) bands (ev): -1.6720 -1.6720 -0.6681 -0.6681 -0.5854 -0.5854 0.1723 0.1723 0.1828 0.1828 0.2711 0.2711 6.6889 6.6889 6.7183 6.7183 8.1961 8.1961 8.5842 8.5842 10.6242 10.6242 10.6939 10.6939 11.6452 11.6452 12.2850 12.2850 12.3650 12.3650 12.3688 12.3688 12.4985 12.4985 12.9522 12.9522 13.0345 13.0345 13.2047 13.2047 13.3760 13.3760 13.7969 13.7969 14.1696 14.1696 14.2810 14.2810 14.6317 14.6317 17.7990 17.7990 17.8772 17.8772 17.9825 17.9825 20.7875 20.7875 k = 0.5000 0.5000 0.0488 ( 1900 PWs) bands (ev): -1.6675 -1.6675 -0.6682 -0.6682 -0.5859 -0.5859 0.1727 0.1727 0.1818 0.1818 0.2707 0.2707 6.6918 6.6918 6.7211 6.7211 8.1998 8.1998 8.5650 8.5650 10.6286 10.6286 10.6985 10.6985 11.6473 11.6473 12.2865 12.2865 12.3684 12.3684 12.3705 12.3705 12.5015 12.5015 12.9409 12.9409 13.0105 13.0105 13.2294 13.2294 13.3765 13.3765 13.7954 13.7954 14.1686 14.1686 14.2801 14.2801 14.6419 14.6419 17.8366 17.8366 17.8429 17.8429 17.9474 17.9474 20.5736 20.5736 k = 0.5000 0.5000 0.0610 ( 1900 PWs) bands (ev): -1.6618 -1.6618 -0.6683 -0.6683 -0.5867 -0.5867 0.1732 0.1732 0.1805 0.1805 0.2702 0.2702 6.6953 6.6953 6.7245 6.7245 8.2044 8.2044 8.5404 8.5404 10.6344 10.6344 10.7045 10.7045 11.6496 11.6496 12.2881 12.2881 12.3725 12.3725 12.3726 12.3726 12.5052 12.5052 12.9268 12.9268 12.9861 12.9861 13.2545 13.2545 13.3771 13.3771 13.7932 13.7932 14.1672 14.1672 14.2789 14.2789 14.6544 14.6544 17.7995 17.7995 17.8844 17.8844 17.9031 17.9031 20.3594 20.3594 k = 0.5000 0.5000 0.0732 ( 1900 PWs) bands (ev): -1.6549 -1.6549 -0.6684 -0.6684 -0.5876 -0.5876 0.1738 0.1738 0.1789 0.1789 0.2696 0.2696 6.6996 6.6996 6.7287 6.7287 8.2100 8.2100 8.5107 8.5107 10.6414 10.6414 10.7118 10.7118 11.6523 11.6523 12.2900 12.2900 12.3748 12.3748 12.3776 12.3776 12.5096 12.5096 12.9102 12.9102 12.9617 12.9617 13.2797 13.2797 13.3778 13.3778 13.7905 13.7905 14.1654 14.1654 14.2773 14.2773 14.6693 14.6693 17.7475 17.7475 17.8497 17.8497 17.9425 17.9425 20.1470 20.1470 k = 0.5000 0.5000 0.0854 ( 1892 PWs) bands (ev): -1.6468 -1.6468 -0.6685 -0.6685 -0.5887 -0.5887 0.1745 0.1745 0.1770 0.1770 0.2689 0.2689 6.7046 6.7046 6.7336 6.7336 8.2166 8.2166 8.4762 8.4762 10.6500 10.6500 10.7207 10.7207 11.6555 11.6555 12.2922 12.2922 12.3775 12.3775 12.3836 12.3836 12.5150 12.5150 12.8915 12.8915 12.9375 12.9375 13.3050 13.3050 13.3787 13.3787 13.7875 13.7875 14.1634 14.1634 14.2753 14.2753 14.6864 14.6864 17.6875 17.6875 17.7884 17.7884 18.0099 18.0099 19.9374 19.9374 k = 0.5000 0.5000 0.0976 ( 1884 PWs) bands (ev): -1.6375 -1.6375 -0.6687 -0.6687 -0.5899 -0.5899 0.1749 0.1749 0.1754 0.1754 0.2680 0.2680 6.7103 6.7103 6.7390 6.7390 8.2242 8.2242 8.4372 8.4372 10.6600 10.6600 10.7311 10.7311 11.6592 11.6592 12.2947 12.2947 12.3804 12.3804 12.3901 12.3901 12.5208 12.5208 12.8712 12.8712 12.9135 12.9135 13.3301 13.3301 13.3797 13.3797 13.7838 13.7838 14.1610 14.1610 14.2730 14.2730 14.7056 14.7056 17.6201 17.6201 17.7195 17.7195 18.0865 18.0865 19.7313 19.7313 k = 0.5000 0.5000 0.1098 ( 1884 PWs) bands (ev): -1.6270 -1.6270 -0.6689 -0.6689 -0.5914 -0.5914 0.1725 0.1725 0.1763 0.1763 0.2671 0.2671 6.7165 6.7165 6.7450 6.7450 8.2327 8.2327 8.3941 8.3941 10.6715 10.6715 10.7430 10.7430 11.6634 11.6634 12.2973 12.2973 12.3836 12.3836 12.3973 12.3973 12.5272 12.5272 12.8493 12.8493 12.8899 12.8899 13.3550 13.3550 13.3806 13.3806 13.7797 13.7797 14.1581 14.1581 14.2702 14.2702 14.7263 14.7263 17.5461 17.5461 17.6438 17.6438 18.1717 18.1717 19.5291 19.5291 k = 0.5000 0.5000 0.1220 ( 1892 PWs) bands (ev): -1.6155 -1.6155 -0.6692 -0.6692 -0.5930 -0.5930 0.1698 0.1698 0.1774 0.1774 0.2660 0.2660 6.7232 6.7232 6.7515 6.7515 8.2421 8.2421 8.3472 8.3472 10.6845 10.6845 10.7565 10.7565 11.6680 11.6680 12.2999 12.2999 12.3868 12.3868 12.4048 12.4048 12.5341 12.5341 12.8264 12.8264 12.8665 12.8665 13.3795 13.3795 13.3816 13.3816 13.7748 13.7748 14.1547 14.1547 14.2668 14.2668 14.7485 14.7485 17.4661 17.4661 17.5619 17.5619 18.2649 18.2649 19.3310 19.3310 k = 0.5000 0.5000 0.1341 ( 1876 PWs) bands (ev): -1.6029 -1.6029 -0.6694 -0.6694 -0.5947 -0.5947 0.1670 0.1670 0.1786 0.1786 0.2649 0.2649 6.7306 6.7306 6.7586 6.7586 8.2525 8.2525 8.2969 8.2969 10.6992 10.6992 10.7718 10.7718 11.6732 11.6732 12.3030 12.3030 12.3903 12.3903 12.4129 12.4129 12.5416 12.5416 12.8029 12.8029 12.8439 12.8439 13.3830 13.3830 13.4039 13.4039 13.7697 13.7697 14.1510 14.1510 14.2630 14.2630 14.7721 14.7721 17.3809 17.3809 17.4749 17.4749 18.3658 18.3658 19.1372 19.1372 k = 0.5000 0.5000 0.1463 ( 1880 PWs) bands (ev): -1.5893 -1.5893 -0.6697 -0.6697 -0.5966 -0.5966 0.1638 0.1638 0.1798 0.1798 0.2637 0.2637 6.7383 6.7383 6.7661 6.7661 8.2433 8.2433 8.2637 8.2637 10.7156 10.7156 10.7888 10.7888 11.6785 11.6785 12.3060 12.3060 12.3938 12.3938 12.4210 12.4210 12.5492 12.5492 12.7788 12.7788 12.8216 12.8216 13.3842 13.3842 13.4277 13.4277 13.7639 13.7639 14.1467 14.1467 14.2585 14.2585 14.7967 14.7967 17.2912 17.2912 17.3832 17.3832 18.4738 18.4738 18.9480 18.9480 k = 0.5000 0.5000 0.1585 ( 1880 PWs) bands (ev): -1.5747 -1.5747 -0.6701 -0.6701 -0.5987 -0.5987 0.1605 0.1605 0.1812 0.1812 0.2623 0.2623 6.7465 6.7465 6.7739 6.7739 8.1871 8.1871 8.2757 8.2757 10.7338 10.7338 10.8077 10.8077 11.6844 11.6844 12.3091 12.3091 12.3974 12.3974 12.4292 12.4292 12.5571 12.5571 12.7548 12.7548 12.7999 12.7999 13.3855 13.3855 13.4509 13.4509 13.7576 13.7576 14.1418 14.1418 14.2535 14.2535 14.8222 14.8222 17.1978 17.1978 17.2877 17.2877 18.5882 18.5882 18.7636 18.7636 k = 0.5000 0.5000 0.1707 ( 1880 PWs) bands (ev): -1.5592 -1.5592 -0.6705 -0.6705 -0.6010 -0.6010 0.1570 0.1570 0.1827 0.1827 0.2609 0.2609 6.7549 6.7549 6.7821 6.7821 8.1287 8.1287 8.2885 8.2885 10.7538 10.7538 10.8285 10.8285 11.6906 11.6906 12.3123 12.3123 12.4010 12.4010 12.4371 12.4371 12.5649 12.5649 12.7312 12.7312 12.7789 12.7789 13.3868 13.3868 13.4735 13.4735 13.7509 13.7509 14.1364 14.1364 14.2477 14.2477 14.8485 14.8485 17.1014 17.1014 17.1892 17.1892 18.5842 18.5842 18.7087 18.7087 k = 0.5000 0.5000 0.1829 ( 1880 PWs) bands (ev): -1.5429 -1.5429 -0.6710 -0.6710 -0.6034 -0.6034 0.1533 0.1533 0.1843 0.1843 0.2595 0.2595 6.7637 6.7637 6.7905 6.7905 8.0683 8.0683 8.3020 8.3020 10.7757 10.7757 10.8512 10.8512 11.6972 11.6972 12.3155 12.3155 12.4046 12.4046 12.4444 12.4444 12.5727 12.5727 12.7081 12.7081 12.7586 12.7586 13.3882 13.3882 13.4954 13.4954 13.7437 13.7437 14.1304 14.1304 14.2412 14.2412 14.8753 14.8753 17.0026 17.0026 17.0883 17.0883 18.4098 18.4098 18.8346 18.8346 k = 0.5000 0.5000 0.1951 ( 1884 PWs) bands (ev): -1.5257 -1.5257 -0.6715 -0.6715 -0.6060 -0.6060 0.1495 0.1495 0.1859 0.1859 0.2579 0.2579 6.7727 6.7727 6.7991 6.7991 8.0061 8.0061 8.3163 8.3163 10.7995 10.7995 10.8759 10.8759 11.7041 11.7041 12.3186 12.3186 12.4080 12.4080 12.4510 12.4510 12.5801 12.5801 12.6860 12.6860 12.7391 12.7391 13.3895 13.3895 13.5165 13.5165 13.7362 13.7362 14.1236 14.1236 14.2339 14.2339 14.9025 14.9025 16.9022 16.9022 16.9857 16.9857 18.2408 18.2408 18.9655 18.9655 k = 0.5000 0.5000 0.2073 ( 1884 PWs) bands (ev): -1.5079 -1.5079 -0.6721 -0.6721 -0.6087 -0.6087 0.1455 0.1455 0.1877 0.1877 0.2563 0.2563 6.7818 6.7818 6.8078 6.8078 7.9432 7.9432 8.3311 8.3311 10.8253 10.8253 10.9028 10.9028 11.7113 11.7113 12.3219 12.3219 12.4114 12.4114 12.4563 12.4563 12.5869 12.5869 12.6655 12.6655 12.7207 12.7207 13.3909 13.3909 13.5364 13.5364 13.7285 13.7285 14.1161 14.1161 14.2258 14.2258 14.9300 14.9300 16.8008 16.8008 16.8821 16.8821 18.0772 18.0772 19.1007 19.1007 k = 0.5000 0.5000 0.2195 ( 1884 PWs) bands (ev): -1.4895 -1.4895 -0.6727 -0.6727 -0.6116 -0.6116 0.1415 0.1415 0.1895 0.1895 0.2546 0.2546 6.7909 6.7909 6.8165 6.8165 7.8795 7.8795 8.3465 8.3465 10.8532 10.8532 10.9318 10.9318 11.7190 11.7190 12.3251 12.3251 12.4147 12.4147 12.4597 12.4597 12.5927 12.5927 12.6469 12.6469 12.7033 12.7033 13.3923 13.3923 13.5549 13.5549 13.7210 13.7210 14.1080 14.1080 14.2168 14.2168 14.9575 14.9575 16.6991 16.6991 16.7783 16.7783 17.9192 17.9192 19.2399 19.2399 k = 0.5000 0.5000 0.2317 ( 1884 PWs) bands (ev): -1.4705 -1.4705 -0.6733 -0.6733 -0.6146 -0.6146 0.1373 0.1373 0.1914 0.1914 0.2529 0.2529 6.8001 6.8001 6.8254 6.8254 7.8155 7.8155 8.3624 8.3624 10.8832 10.8832 10.9629 10.9629 11.7268 11.7268 12.3282 12.3282 12.4178 12.4178 12.4610 12.4610 12.5972 12.5972 12.6306 12.6306 12.6876 12.6876 13.3937 13.3937 13.5716 13.5716 13.7139 13.7139 14.0989 14.0989 14.2068 14.2068 14.9850 14.9850 16.5978 16.5978 16.6748 16.6748 17.7671 17.7671 19.3824 19.3824 k = 0.5000 0.5000 0.2439 ( 1876 PWs) bands (ev): -1.4510 -1.4510 -0.6739 -0.6739 -0.6178 -0.6178 0.1330 0.1330 0.1935 0.1935 0.2511 0.2511 6.8093 6.8093 6.8341 6.8341 7.7516 7.7516 8.3787 8.3787 10.9152 10.9152 10.9962 10.9962 11.7350 11.7350 12.3314 12.3314 12.4208 12.4208 12.4595 12.4595 12.5997 12.5997 12.6172 12.6172 12.6738 12.6738 13.3952 13.3952 13.5856 13.5856 13.7079 13.7079 14.0890 14.0890 14.1957 14.1957 15.0126 15.0126 16.4973 16.4973 16.5722 16.5722 17.6209 17.6209 19.5281 19.5281 k = 0.5000 0.5000 0.2561 ( 1876 PWs) bands (ev): -1.4311 -1.4311 -0.6746 -0.6746 -0.6211 -0.6211 0.1287 0.1287 0.1955 0.1955 0.2493 0.2493 6.8184 6.8184 6.8428 6.8428 7.6881 7.6881 8.3954 8.3954 10.9493 10.9493 11.0317 11.0317 11.7433 11.7433 12.3341 12.3341 12.4234 12.4234 12.4552 12.4552 12.5997 12.5997 12.6066 12.6066 12.6624 12.6624 13.3966 13.3966 13.5959 13.5959 13.7043 13.7043 14.0781 14.0781 14.1834 14.1834 15.0396 15.0396 16.3984 16.3984 16.4712 16.4712 17.4808 17.4808 19.6760 19.6760 k = 0.5000 0.5000 0.2683 ( 1876 PWs) bands (ev): -1.4110 -1.4110 -0.6754 -0.6754 -0.6246 -0.6246 0.1243 0.1243 0.1975 0.1975 0.2475 0.2475 6.8274 6.8274 6.8514 6.8514 7.6253 7.6253 8.4123 8.4123 10.9854 10.9854 11.0694 11.0694 11.7518 11.7518 12.3366 12.3366 12.4256 12.4256 12.4481 12.4481 12.5965 12.5965 12.5986 12.5986 12.6539 12.6539 13.3980 13.3980 13.6011 13.6011 13.7043 13.7043 14.0662 14.0662 14.1700 14.1700 15.0662 15.0662 16.3016 16.3016 16.3724 16.3724 17.3470 17.3470 19.8260 19.8260 k = 0.5000 0.5000 0.2805 ( 1884 PWs) bands (ev): -1.3907 -1.3907 -0.6761 -0.6761 -0.6282 -0.6282 0.1199 0.1199 0.1996 0.1996 0.2457 0.2457 6.8361 6.8361 6.8597 6.8597 7.5636 7.5636 8.4293 8.4293 11.0236 11.0236 11.1092 11.1092 11.7606 11.7606 12.3385 12.3385 12.4273 12.4273 12.4389 12.4389 12.5903 12.5903 12.5926 12.5926 12.6477 12.6477 13.3992 13.3992 13.6007 13.6007 13.7084 13.7084 14.0534 14.0534 14.1553 14.1553 15.0923 15.0923 16.2073 16.2073 16.2762 16.2762 17.2195 17.2195 19.9774 19.9774 k = 0.5000 0.5000 0.2927 ( 1880 PWs) bands (ev): -1.3703 -1.3703 -0.6769 -0.6769 -0.6319 -0.6319 0.1156 0.1156 0.2017 0.2017 0.2438 0.2438 6.8446 6.8446 6.8678 6.8678 7.5033 7.5033 8.4464 8.4464 11.0637 11.0637 11.1511 11.1511 11.7695 11.7695 12.3400 12.3400 12.4285 12.4285 12.4285 12.4285 12.5824 12.5824 12.5879 12.5879 12.6430 12.6430 13.4005 13.4005 13.5954 13.5954 13.7161 13.7161 14.0397 14.0397 14.1394 14.1394 15.1178 15.1178 16.1163 16.1163 16.1835 16.1835 17.0987 17.0987 20.1300 20.1300 k = 0.5000 0.5000 0.3049 ( 1880 PWs) bands (ev): -1.3499 -1.3499 -0.6777 -0.6777 -0.6358 -0.6358 0.1112 0.1112 0.2038 0.2038 0.2420 0.2420 6.8528 6.8528 6.8755 6.8755 7.4448 7.4448 8.4635 8.4635 11.1057 11.1057 11.1951 11.1951 11.7786 11.7786 12.3405 12.3405 12.4177 12.4177 12.4292 12.4292 12.5738 12.5738 12.5835 12.5835 12.6383 12.6383 13.4018 13.4018 13.5864 13.5864 13.7260 13.7260 14.0250 14.0250 14.1223 14.1223 15.1424 15.1424 16.0289 16.0289 16.0944 16.0944 16.9845 16.9845 20.2831 20.2831 k = 0.5000 0.5000 0.3171 ( 1888 PWs) bands (ev): -1.3297 -1.3297 -0.6785 -0.6785 -0.6398 -0.6398 0.1069 0.1069 0.2058 0.2058 0.2402 0.2402 6.8607 6.8607 6.8830 6.8830 7.3883 7.3883 8.4803 8.4803 11.1494 11.1494 11.2410 11.2410 11.7876 11.7876 12.3396 12.3396 12.4074 12.4074 12.4289 12.4289 12.5651 12.5651 12.5786 12.5786 12.6327 12.6327 13.4030 13.4030 13.5747 13.5747 13.7370 13.7370 14.0095 14.0095 14.1039 14.1039 15.1658 15.1658 15.9456 15.9456 16.0097 16.0097 16.8771 16.8771 20.4364 20.4364 k = 0.5000 0.5000 0.3293 ( 1880 PWs) bands (ev): -1.3098 -1.3098 -0.6793 -0.6793 -0.6438 -0.6438 0.1028 0.1028 0.2079 0.2079 0.2385 0.2385 6.8683 6.8683 6.8901 6.8901 7.3342 7.3342 8.4969 8.4969 11.1948 11.1948 11.2889 11.2889 11.7969 11.7969 12.3372 12.3372 12.3984 12.3984 12.4281 12.4281 12.5570 12.5570 12.5729 12.5729 12.6258 12.6258 13.4043 13.4043 13.5616 13.5616 13.7485 13.7485 13.9934 13.9934 14.0846 14.0846 15.1885 15.1885 15.8668 15.8668 15.9296 15.9296 16.7766 16.7766 20.5895 20.5895 k = 0.5000 0.5000 0.3415 ( 1880 PWs) bands (ev): -1.2903 -1.2903 -0.6801 -0.6801 -0.6479 -0.6479 0.0987 0.0987 0.2098 0.2098 0.2368 0.2368 6.8754 6.8754 6.8968 6.8968 7.2826 7.2826 8.5131 8.5131 11.2415 11.2415 11.3385 11.3385 11.8063 11.8063 12.3327 12.3327 12.3913 12.3913 12.4264 12.4264 12.5498 12.5498 12.5657 12.5657 12.6168 12.6168 13.4054 13.4054 13.5474 13.5474 13.7597 13.7597 13.9767 13.9767 14.0642 14.0642 15.2100 15.2100 15.7929 15.7929 15.8546 15.8546 16.6830 16.6830 20.7416 20.7416 k = 0.5000 0.5000 0.3537 ( 1880 PWs) bands (ev): -1.2714 -1.2714 -0.6808 -0.6808 -0.6520 -0.6520 0.0947 0.0947 0.2117 0.2117 0.2351 0.2351 6.8820 6.8820 6.9030 6.9030 7.2335 7.2335 8.5287 8.5287 11.2895 11.2895 11.3896 11.3896 11.8157 11.8157 12.3262 12.3262 12.3861 12.3861 12.4238 12.4238 12.5433 12.5433 12.5568 12.5568 12.6059 12.6059 13.4066 13.4066 13.5326 13.5326 13.7703 13.7703 13.9598 13.9598 14.0432 14.0432 15.2302 15.2302 15.7241 15.7241 15.7851 15.7851 16.5964 16.5964 20.8925 20.8925 k = 0.5000 0.5000 0.3659 ( 1884 PWs) bands (ev): -1.2531 -1.2531 -0.6816 -0.6816 -0.6562 -0.6562 0.0910 0.0910 0.2135 0.2135 0.2336 0.2336 6.8883 6.8883 6.9088 6.9088 7.1877 7.1877 8.5437 8.5437 11.3382 11.3382 11.4421 11.4421 11.8252 11.8252 12.3182 12.3182 12.3822 12.3822 12.4203 12.4203 12.5375 12.5375 12.5458 12.5458 12.5929 12.5929 13.4075 13.4075 13.5175 13.5175 13.7801 13.7801 13.9429 13.9429 14.0216 14.0216 15.2490 15.2490 15.6608 15.6608 15.7213 15.7213 16.5169 16.5169 21.0413 21.0413 k = 0.5000 0.5000 0.3780 ( 1880 PWs) bands (ev): -1.2357 -1.2357 -0.6822 -0.6822 -0.6603 -0.6603 0.0874 0.0874 0.2153 0.2153 0.2321 0.2321 6.8940 6.8940 6.9142 6.9142 7.1453 7.1453 8.5579 8.5579 11.3874 11.3874 11.4958 11.4958 11.8349 11.8349 12.3094 12.3094 12.3792 12.3792 12.4159 12.4159 12.5320 12.5320 12.5330 12.5330 12.5783 12.5783 13.4083 13.4083 13.5025 13.5025 13.7888 13.7888 13.9265 13.9265 13.9999 13.9999 15.2664 15.2664 15.6031 15.6031 15.6634 15.6634 16.4444 16.4444 21.1876 21.1876 k = 0.5000 0.5000 0.3902 ( 1880 PWs) bands (ev): -1.2192 -1.2192 -0.6829 -0.6829 -0.6643 -0.6643 0.0841 0.0841 0.2169 0.2169 0.2307 0.2307 6.8993 6.8993 6.9189 6.9189 7.1063 7.1063 8.5712 8.5712 11.4365 11.4365 11.5503 11.5503 11.8448 11.8448 12.3001 12.3001 12.3760 12.3760 12.4105 12.4105 12.5184 12.5184 12.5258 12.5258 12.5631 12.5631 13.4090 13.4090 13.4878 13.4878 13.7963 13.7963 13.9110 13.9110 13.9786 13.9786 15.2821 15.2821 15.5510 15.5510 15.6115 15.6115 16.3790 16.3790 21.3303 21.3303 k = 0.5000 0.5000 0.4024 ( 1880 PWs) bands (ev): -1.2039 -1.2039 -0.6835 -0.6835 -0.6682 -0.6682 0.0810 0.0810 0.2184 0.2184 0.2294 0.2294 6.9040 6.9040 6.9231 6.9231 7.0711 7.0711 8.5835 8.5835 11.4849 11.4849 11.6053 11.6053 11.8551 11.8551 12.2906 12.2906 12.3719 12.3719 12.4039 12.4039 12.5026 12.5026 12.5166 12.5166 12.5500 12.5500 13.4096 13.4096 13.4737 13.4737 13.8021 13.8021 13.8970 13.8970 13.9579 13.9579 15.2961 15.2961 15.5047 15.5047 15.5657 15.5657 16.3207 16.3207 21.4686 21.4686 k = 0.5000 0.5000 0.4146 ( 1880 PWs) bands (ev): -1.1899 -1.1899 -0.6840 -0.6840 -0.6718 -0.6718 0.0782 0.0782 0.2197 0.2197 0.2283 0.2283 6.9082 6.9082 6.9267 6.9267 7.0397 7.0397 8.5946 8.5946 11.5317 11.5317 11.6603 11.6603 11.8659 11.8659 12.2809 12.2809 12.3661 12.3661 12.3957 12.3957 12.4864 12.4864 12.5026 12.5026 12.5415 12.5415 13.4101 13.4101 13.4605 13.4605 13.8059 13.8059 13.8851 13.8851 13.9383 13.9383 15.3082 15.3082 15.4641 15.4641 15.5262 15.5262 16.2693 16.2693 21.6013 21.6013 k = 0.5000 0.5000 0.4268 ( 1880 PWs) bands (ev): -1.1774 -1.1774 -0.6845 -0.6845 -0.6752 -0.6752 0.0757 0.0757 0.2209 0.2209 0.2272 0.2272 6.9119 6.9119 6.9295 6.9295 7.0125 7.0125 8.6045 8.6045 11.5758 11.5758 11.7148 11.7148 11.8774 11.8774 12.2708 12.2708 12.3578 12.3578 12.3853 12.3853 12.4712 12.4712 12.4857 12.4857 12.5370 12.5370 13.4105 13.4105 13.4484 13.4484 13.8073 13.8073 13.8761 13.8761 13.9204 13.9204 15.3181 15.3181 15.4292 15.4292 15.4929 15.4929 16.2250 16.2250 21.7266 21.7266 k = 0.5000 0.5000 0.4390 ( 1888 PWs) bands (ev): -1.1664 -1.1664 -0.6850 -0.6850 -0.6783 -0.6783 0.0736 0.0736 0.2219 0.2219 0.2263 0.2263 6.9150 6.9150 6.9313 6.9313 6.9899 6.9899 8.6131 8.6131 11.6159 11.6159 11.7680 11.7680 11.8900 11.8900 12.2596 12.2596 12.3466 12.3466 12.3719 12.3719 12.4583 12.4583 12.4691 12.4691 12.5345 12.5345 13.4109 13.4109 13.4376 13.4376 13.8063 13.8063 13.8701 13.8701 13.9043 13.9043 15.3257 15.3257 15.3998 15.3999 15.4659 15.4659 16.1876 16.1876 21.8425 21.8425 k = 0.5000 0.5000 0.4512 ( 1888 PWs) bands (ev): -1.1573 -1.1573 -0.6853 -0.6853 -0.6810 -0.6810 0.0718 0.0718 0.2228 0.2228 0.2256 0.2256 6.9175 6.9175 6.9318 6.9318 6.9722 6.9722 8.6202 8.6202 11.6507 11.6507 11.8188 11.8188 11.9036 11.9036 12.2465 12.2465 12.3337 12.3337 12.3555 12.3555 12.4485 12.4485 12.4556 12.4556 12.5331 12.5331 13.4111 13.4111 13.4285 13.4285 13.8035 13.8035 13.8670 13.8670 13.8907 13.8907 15.3309 15.3309 15.3761 15.3761 15.4452 15.4452 16.1570 16.1570 21.9461 21.9461 k = 0.5000 0.5000 0.4634 ( 1888 PWs) bands (ev): -1.1500 -1.1500 -0.6856 -0.6856 -0.6831 -0.6831 0.0703 0.0703 0.2234 0.2234 0.2250 0.2250 6.9195 6.9195 6.9302 6.9302 6.9604 6.9604 8.6258 8.6258 11.6787 11.6787 11.8655 11.8655 11.9176 11.9176 12.2307 12.2307 12.3213 12.3213 12.3374 12.3374 12.4419 12.4419 12.4458 12.4458 12.5322 12.5322 13.4113 13.4113 13.4212 13.4212 13.8000 13.8000 13.8657 13.8657 13.8798 13.8798 15.3336 15.3336 15.3577 15.3577 15.4306 15.4306 16.1333 16.1333 22.0338 22.0338 k = 0.5000 0.5000 0.4756 ( 1896 PWs) bands (ev): -1.1447 -1.1447 -0.6858 -0.6858 -0.6847 -0.6847 0.0693 0.0693 0.2239 0.2239 0.2245 0.2245 6.9209 6.9209 6.9268 6.9268 6.9541 6.9541 8.6299 8.6299 11.6990 11.6990 11.9052 11.9052 11.9307 11.9307 12.2132 12.2132 12.3116 12.3116 12.3205 12.3205 12.4377 12.4377 12.4393 12.4393 12.5316 12.5316 13.4114 13.4114 13.4158 13.4158 13.7967 13.7967 13.8652 13.8652 13.8718 13.8718 15.3345 15.3345 15.3446 15.3446 15.4213 15.4213 16.1164 16.1164 22.1010 22.1010 k = 0.5000 0.5000 0.4878 ( 1896 PWs) bands (ev): -1.1414 -1.1414 -0.6859 -0.6859 -0.6857 -0.6857 0.0687 0.0687 0.2242 0.2242 0.2243 0.2243 6.9218 6.9218 6.9234 6.9234 6.9517 6.9517 8.6323 8.6323 11.7112 11.7112 11.9334 11.9334 11.9403 11.9403 12.1983 12.1983 12.3058 12.3058 12.3083 12.3083 12.4354 12.4354 12.4357 12.4357 12.5314 12.5314 13.4115 13.4115 13.4126 13.4126 13.7945 13.7945 13.8652 13.8652 13.8670 13.8670 15.3344 15.3344 15.3368 15.3368 15.4163 15.4163 16.1063 16.1063 22.1411 22.1412 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -1.1404 -1.1404 -0.6860 -0.6860 -0.6860 -0.6860 0.0685 0.0685 0.2242 0.2242 0.2242 0.2242 6.9220 6.9220 6.9220 6.9220 6.9511 6.9511 8.6332 8.6332 11.7152 11.7152 11.9438 11.9438 11.9438 11.9438 12.1920 12.1920 12.3038 12.3038 12.3038 12.3038 12.4346 12.4346 12.4346 12.4346 12.5312 12.5312 13.4115 13.4115 13.4115 13.4115 13.7937 13.7937 13.8652 13.8652 13.8652 13.8652 15.3342 15.3342 15.3342 15.3342 15.4148 15.4148 16.1029 16.1029 22.1496 22.1496 Writing output data file InNi3N.save init_run : 0.20s CPU 0.34s WALL ( 1 calls) electrons : 103.84s CPU 106.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 103.83s CPU 106.17s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 316 calls) cegterg : 95.56s CPU 97.34s WALL ( 437 calls) Called by sum_band: Called by *egterg: h_psi : 36.44s CPU 37.78s WALL ( 7227 calls) s_psi : 4.76s CPU 4.55s WALL ( 7227 calls) g_psi : 0.08s CPU 0.10s WALL ( 6474 calls) cdiaghg : 51.85s CPU 52.44s WALL ( 6790 calls) cegterg:over : 3.62s CPU 3.63s WALL ( 6474 calls) cegterg:upda : 2.18s CPU 2.27s WALL ( 6474 calls) cegterg:last : 1.44s CPU 1.55s WALL ( 1069 calls) cdiaghg:chol : 2.71s CPU 2.77s WALL ( 6790 calls) cdiaghg:inve : 1.86s CPU 1.99s WALL ( 6790 calls) cdiaghg:para : 2.96s CPU 3.12s WALL ( 13580 calls) Called by h_psi: h_psi:vloc : 27.05s CPU 28.23s WALL ( 7227 calls) h_psi:vnl : 9.29s CPU 9.45s WALL ( 7227 calls) add_vuspsi : 5.22s CPU 5.31s WALL ( 7227 calls) General routines calbec : 4.04s CPU 4.12s WALL ( 7227 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.73s CPU 25.71s WALL ( 790372 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.25s WALL ( 632 calls) Parallel routines fft_scatter : 15.56s CPU 16.09s WALL ( 790395 calls) PWSCF : 1m56.08s CPU 2m10.10s WALL This run was terminated on: 19:37:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=