Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:52:54 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: ./GePbO3.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 20 6 926 404 70 Max 35 21 7 931 421 75 Sum 1257 733 225 33401 14795 2553 bravais-lattice index = 14 lattice parameter (alat) = 6.9876 a.u. unit-cell volume = 341.1863 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.987640 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 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= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0030211 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0030211 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0030211 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0030211 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0030211 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0030211 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0030211 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0030211 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0030211 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0030211 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0030211 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0030211 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0030211 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0030211 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0030211 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0030211 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0030211 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0030211 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0030211 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0030211 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0030211 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0030211 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0030211 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0030211 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0030211 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0030211 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0030211 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0030211 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0030211 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0030211 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0030211 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0030211 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0030211 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0030211 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0030211 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0030211 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0030211 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0030211 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0030211 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0030211 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0030211 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0030211 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0030211 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0030211 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0030211 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0030211 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0030211 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0030211 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0030211 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0030211 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0030211 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0030211 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0030211 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0030211 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0030211 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0030211 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0030211 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0030211 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0030211 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0030211 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0030211 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0030211 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0030211 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0030211 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0030211 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0030211 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0030211 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0030211 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030211 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0030211 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0030211 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0030211 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0030211 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0030211 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0030211 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0030211 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0030211 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0030211 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0030211 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0030211 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030211 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030211 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0030211 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0030211 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0030211 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0030211 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0030211 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0030211 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0030211 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0030211 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0030211 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0030211 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0030211 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0030211 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0030211 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0030211 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0030211 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0030211 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0030211 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0030211 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0030211 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0030211 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0030211 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0030211 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0030211 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0030211 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0030211 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0030211 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0030211 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0030211 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0030211 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0030211 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0030211 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0030211 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0030211 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0030211 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0030211 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0030211 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0030211 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0030211 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0030211 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0030211 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0030211 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0030211 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0030211 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0030211 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0030211 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0030211 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0030211 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0030211 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0030211 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0030211 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0030211 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0030211 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0030211 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0030211 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0030211 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0030211 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0030211 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0030211 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0030211 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 152) = ( 0.0067568 0.0067568 0.0067568), wk = 0.0030211 k( 153) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0030211 k( 154) = ( 0.0202703 0.0202703 0.0202703), wk = 0.0030211 k( 155) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0030211 k( 156) = ( 0.0337838 0.0337838 0.0337838), wk = 0.0030211 k( 157) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0030211 k( 158) = ( 0.0472973 0.0472973 0.0472973), wk = 0.0030211 k( 159) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0030211 k( 160) = ( 0.0608108 0.0608108 0.0608108), wk = 0.0030211 k( 161) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0030211 k( 162) = ( 0.0743243 0.0743243 0.0743243), wk = 0.0030211 k( 163) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0030211 k( 164) = ( 0.0878378 0.0878378 0.0878378), wk = 0.0030211 k( 165) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0030211 k( 166) = ( 0.1013514 0.1013513 0.1013513), wk = 0.0030211 k( 167) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0030211 k( 168) = ( 0.1148649 0.1148649 0.1148649), wk = 0.0030211 k( 169) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0030211 k( 170) = ( 0.1283784 0.1283784 0.1283784), wk = 0.0030211 k( 171) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0030211 k( 172) = ( 0.1418919 0.1418919 0.1418919), wk = 0.0030211 k( 173) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0030211 k( 174) = ( 0.1554054 0.1554054 0.1554054), wk = 0.0030211 k( 175) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0030211 k( 176) = ( 0.1689189 0.1689189 0.1689189), wk = 0.0030211 k( 177) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0030211 k( 178) = ( 0.1824324 0.1824324 0.1824324), wk = 0.0030211 k( 179) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0030211 k( 180) = ( 0.1959460 0.1959459 0.1959459), wk = 0.0030211 k( 181) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0030211 k( 182) = ( 0.2094595 0.2094595 0.2094595), wk = 0.0030211 k( 183) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0030211 k( 184) = ( 0.2229730 0.2229730 0.2229730), wk = 0.0030211 k( 185) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0030211 k( 186) = ( 0.2364865 0.2364865 0.2364865), wk = 0.0030211 k( 187) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0030211 k( 188) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 189) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0030211 k( 190) = ( 0.2635135 0.2635135 0.2635135), wk = 0.0030211 k( 191) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0030211 k( 192) = ( 0.2770270 0.2770270 0.2770270), wk = 0.0030211 k( 193) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0030211 k( 194) = ( 0.2905405 0.2905405 0.2905405), wk = 0.0030211 k( 195) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0030211 k( 196) = ( 0.3040541 0.3040540 0.3040540), wk = 0.0030211 k( 197) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0030211 k( 198) = ( 0.3175676 0.3175676 0.3175676), wk = 0.0030211 k( 199) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0030211 k( 200) = ( 0.3310811 0.3310811 0.3310811), wk = 0.0030211 k( 201) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0030211 k( 202) = ( 0.3445946 0.3445946 0.3445946), wk = 0.0030211 k( 203) = ( 0.3513514 0.3513513 0.3513513), wk = 0.0030211 k( 204) = ( 0.3581081 0.3581081 0.3581081), wk = 0.0030211 k( 205) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0030211 k( 206) = ( 0.3716216 0.3716216 0.3716216), wk = 0.0030211 k( 207) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0030211 k( 208) = ( 0.3851351 0.3851351 0.3851351), wk = 0.0030211 k( 209) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0030211 k( 210) = ( 0.3986486 0.3986486 0.3986486), wk = 0.0030211 k( 211) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0030211 k( 212) = ( 0.4121622 0.4121622 0.4121622), wk = 0.0030211 k( 213) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0030211 k( 214) = ( 0.4256757 0.4256757 0.4256757), wk = 0.0030211 k( 215) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0030211 k( 216) = ( 0.4391892 0.4391892 0.4391892), wk = 0.0030211 k( 217) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0030211 k( 218) = ( 0.4527027 0.4527027 0.4527027), wk = 0.0030211 k( 219) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0030211 k( 220) = ( 0.4662162 0.4662162 0.4662162), wk = 0.0030211 k( 221) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0030211 k( 222) = ( 0.4797297 0.4797297 0.4797297), wk = 0.0030211 k( 223) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0030211 k( 224) = ( 0.4932432 0.4932432 0.4932432), wk = 0.0030211 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 227) = ( 0.4918033 0.5000000 0.4918033), wk = 0.0030211 k( 228) = ( 0.4836066 0.5000000 0.4836066), wk = 0.0030211 k( 229) = ( 0.4754098 0.5000000 0.4754098), wk = 0.0030211 k( 230) = ( 0.4672131 0.5000000 0.4672131), wk = 0.0030211 k( 231) = ( 0.4590164 0.5000000 0.4590164), wk = 0.0030211 k( 232) = ( 0.4508197 0.5000000 0.4508197), wk = 0.0030211 k( 233) = ( 0.4426230 0.5000000 0.4426229), wk = 0.0030211 k( 234) = ( 0.4344262 0.5000000 0.4344262), wk = 0.0030211 k( 235) = ( 0.4262295 0.5000000 0.4262295), wk = 0.0030211 k( 236) = ( 0.4180328 0.5000000 0.4180328), wk = 0.0030211 k( 237) = ( 0.4098361 0.5000000 0.4098361), wk = 0.0030211 k( 238) = ( 0.4016393 0.5000000 0.4016393), wk = 0.0030211 k( 239) = ( 0.3934426 0.5000000 0.3934426), wk = 0.0030211 k( 240) = ( 0.3852459 0.5000000 0.3852459), wk = 0.0030211 k( 241) = ( 0.3770492 0.5000000 0.3770492), wk = 0.0030211 k( 242) = ( 0.3688525 0.5000000 0.3688525), wk = 0.0030211 k( 243) = ( 0.3606557 0.5000000 0.3606557), wk = 0.0030211 k( 244) = ( 0.3524590 0.5000000 0.3524590), wk = 0.0030211 k( 245) = ( 0.3442623 0.5000000 0.3442623), wk = 0.0030211 k( 246) = ( 0.3360656 0.5000000 0.3360656), wk = 0.0030211 k( 247) = ( 0.3278688 0.5000000 0.3278688), wk = 0.0030211 k( 248) = ( 0.3196721 0.5000000 0.3196721), wk = 0.0030211 k( 249) = ( 0.3114754 0.5000000 0.3114754), wk = 0.0030211 k( 250) = ( 0.3032787 0.5000000 0.3032787), wk = 0.0030211 k( 251) = ( 0.2950820 0.5000000 0.2950820), wk = 0.0030211 k( 252) = ( 0.2868852 0.5000000 0.2868852), wk = 0.0030211 k( 253) = ( 0.2786885 0.5000000 0.2786885), wk = 0.0030211 k( 254) = ( 0.2704918 0.5000000 0.2704918), wk = 0.0030211 k( 255) = ( 0.2622951 0.5000000 0.2622951), wk = 0.0030211 k( 256) = ( 0.2540984 0.5000000 0.2540984), wk = 0.0030211 k( 257) = ( 0.2459016 0.5000000 0.2459016), wk = 0.0030211 k( 258) = ( 0.2377049 0.5000000 0.2377049), wk = 0.0030211 k( 259) = ( 0.2295082 0.5000000 0.2295082), wk = 0.0030211 k( 260) = ( 0.2213115 0.5000000 0.2213115), wk = 0.0030211 k( 261) = ( 0.2131147 0.5000000 0.2131147), wk = 0.0030211 k( 262) = ( 0.2049180 0.5000000 0.2049180), wk = 0.0030211 k( 263) = ( 0.1967213 0.5000000 0.1967213), wk = 0.0030211 k( 264) = ( 0.1885246 0.5000000 0.1885246), wk = 0.0030211 k( 265) = ( 0.1803279 0.5000000 0.1803279), wk = 0.0030211 k( 266) = ( 0.1721312 0.5000000 0.1721311), wk = 0.0030211 k( 267) = ( 0.1639344 0.5000000 0.1639344), wk = 0.0030211 k( 268) = ( 0.1557377 0.5000000 0.1557377), wk = 0.0030211 k( 269) = ( 0.1475410 0.5000000 0.1475410), wk = 0.0030211 k( 270) = ( 0.1393443 0.5000000 0.1393443), wk = 0.0030211 k( 271) = ( 0.1311475 0.5000000 0.1311475), wk = 0.0030211 k( 272) = ( 0.1229508 0.5000000 0.1229508), wk = 0.0030211 k( 273) = ( 0.1147541 0.5000000 0.1147541), wk = 0.0030211 k( 274) = ( 0.1065574 0.5000000 0.1065574), wk = 0.0030211 k( 275) = ( 0.0983607 0.5000000 0.0983607), wk = 0.0030211 k( 276) = ( 0.0901639 0.5000000 0.0901639), wk = 0.0030211 k( 277) = ( 0.0819672 0.5000000 0.0819672), wk = 0.0030211 k( 278) = ( 0.0737705 0.5000000 0.0737705), wk = 0.0030211 k( 279) = ( 0.0655738 0.5000000 0.0655738), wk = 0.0030211 k( 280) = ( 0.0573770 0.5000000 0.0573770), wk = 0.0030211 k( 281) = ( 0.0491803 0.5000000 0.0491803), wk = 0.0030211 k( 282) = ( 0.0409836 0.5000000 0.0409836), wk = 0.0030211 k( 283) = ( 0.0327869 0.5000000 0.0327869), wk = 0.0030211 k( 284) = ( 0.0245902 0.5000000 0.0245902), wk = 0.0030211 k( 285) = ( 0.0163934 0.5000000 0.0163934), wk = 0.0030211 k( 286) = ( 0.0081967 0.5000000 0.0081967), wk = 0.0030211 k( 287) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 288) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030211 k( 289) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030211 k( 290) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030211 k( 291) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030211 k( 292) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030211 k( 293) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030211 k( 294) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030211 k( 295) = ( 0.5000000 0.5000000 0.0813953), wk = 0.0030211 k( 296) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030211 k( 297) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030211 k( 298) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030211 k( 299) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030211 k( 300) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030211 k( 301) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030211 k( 302) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030211 k( 303) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030211 k( 304) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030211 k( 305) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030211 k( 306) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030211 k( 307) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030211 k( 308) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030211 k( 309) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030211 k( 310) = ( 0.5000000 0.5000000 0.2558139), wk = 0.0030211 k( 311) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030211 k( 312) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030211 k( 313) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030211 k( 314) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030211 k( 315) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030211 k( 316) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030211 k( 317) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030211 k( 318) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030211 k( 319) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030211 k( 320) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030211 k( 321) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030211 k( 322) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030211 k( 323) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030211 k( 324) = ( 0.5000000 0.5000000 0.4186046), wk = 0.0030211 k( 325) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030211 k( 326) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030211 k( 327) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030211 k( 328) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030211 k( 329) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030211 k( 330) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030211 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0030211 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0030211 k( 4) = ( 0.0000000 0.0348837 0.0000000), wk = 0.0030211 k( 5) = ( 0.0000000 0.0465116 0.0000000), wk = 0.0030211 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0030211 k( 7) = ( 0.0000000 0.0697674 0.0000000), wk = 0.0030211 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0030211 k( 9) = ( 0.0000000 0.0930233 0.0000000), wk = 0.0030211 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0030211 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0030211 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0030211 k( 13) = ( 0.0000000 0.1395349 0.0000000), wk = 0.0030211 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0030211 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0030211 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0030211 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0030211 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0030211 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0030211 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0030211 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0030211 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0030211 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0030211 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0030211 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0030211 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0030211 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0030211 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0030211 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0030211 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0030211 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0030211 k( 32) = ( 0.0000000 0.3604651 0.0000000), wk = 0.0030211 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0030211 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0030211 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0030211 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0030211 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0030211 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0030211 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0030211 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0030211 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0030211 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0030211 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0030211 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030211 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0030211 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0030211 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0030211 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0030211 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0030211 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0030211 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0030211 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0030211 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0030211 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0030211 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0030211 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0030211 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0030211 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0030211 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0030211 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0030211 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0030211 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0030211 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0030211 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0030211 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0030211 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0030211 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0030211 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0030211 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0030211 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0030211 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0030211 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0030211 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0030211 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0030211 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0030211 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0030211 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0030211 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0030211 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0030211 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0030211 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0030211 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0030211 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0030211 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0030211 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0030211 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0030211 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0030211 k( 92) = ( 0.4754098 0.4754098 0.0000000), wk = 0.0030211 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0030211 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0030211 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0030211 k( 96) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0030211 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0030211 k( 98) = ( 0.4262295 0.4262295 0.0000000), wk = 0.0030211 k( 99) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0030211 k( 100) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0030211 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0030211 k( 102) = ( 0.3934426 0.3934426 0.0000000), wk = 0.0030211 k( 103) = ( 0.3852459 0.3852459 0.0000000), wk = 0.0030211 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0030211 k( 105) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0030211 k( 106) = ( 0.3606557 0.3606557 0.0000000), wk = 0.0030211 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0030211 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0030211 k( 109) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0030211 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0030211 k( 111) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0030211 k( 112) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0030211 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0030211 k( 114) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0030211 k( 115) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0030211 k( 116) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0030211 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0030211 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0030211 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0030211 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0030211 k( 121) = ( 0.2377049 0.2377049 0.0000000), wk = 0.0030211 k( 122) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0030211 k( 123) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0030211 k( 124) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0030211 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0030211 k( 126) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0030211 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0030211 k( 128) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0030211 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0030211 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0030211 k( 131) = ( 0.1557377 0.1557377 0.0000000), wk = 0.0030211 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0030211 k( 133) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0030211 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0030211 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0030211 k( 136) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0030211 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0030211 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0030211 k( 139) = ( 0.0901639 0.0901639 0.0000000), wk = 0.0030211 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0030211 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0030211 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0030211 k( 143) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0030211 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0030211 k( 145) = ( 0.0409836 0.0409836 0.0000000), wk = 0.0030211 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0030211 k( 147) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0030211 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0030211 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 152) = ( 0.0067568 0.0067568 0.0067568), wk = 0.0030211 k( 153) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0030211 k( 154) = ( 0.0202703 0.0202703 0.0202703), wk = 0.0030211 k( 155) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0030211 k( 156) = ( 0.0337838 0.0337838 0.0337838), wk = 0.0030211 k( 157) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0030211 k( 158) = ( 0.0472973 0.0472973 0.0472973), wk = 0.0030211 k( 159) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0030211 k( 160) = ( 0.0608108 0.0608108 0.0608108), wk = 0.0030211 k( 161) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0030211 k( 162) = ( 0.0743243 0.0743243 0.0743243), wk = 0.0030211 k( 163) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0030211 k( 164) = ( 0.0878378 0.0878378 0.0878378), wk = 0.0030211 k( 165) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0030211 k( 166) = ( 0.1013514 0.1013514 0.1013514), wk = 0.0030211 k( 167) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0030211 k( 168) = ( 0.1148649 0.1148649 0.1148649), wk = 0.0030211 k( 169) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0030211 k( 170) = ( 0.1283784 0.1283784 0.1283784), wk = 0.0030211 k( 171) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0030211 k( 172) = ( 0.1418919 0.1418919 0.1418919), wk = 0.0030211 k( 173) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0030211 k( 174) = ( 0.1554054 0.1554054 0.1554054), wk = 0.0030211 k( 175) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0030211 k( 176) = ( 0.1689189 0.1689189 0.1689189), wk = 0.0030211 k( 177) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0030211 k( 178) = ( 0.1824324 0.1824324 0.1824324), wk = 0.0030211 k( 179) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0030211 k( 180) = ( 0.1959460 0.1959460 0.1959460), wk = 0.0030211 k( 181) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0030211 k( 182) = ( 0.2094595 0.2094595 0.2094595), wk = 0.0030211 k( 183) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0030211 k( 184) = ( 0.2229730 0.2229730 0.2229730), wk = 0.0030211 k( 185) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0030211 k( 186) = ( 0.2364865 0.2364865 0.2364865), wk = 0.0030211 k( 187) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0030211 k( 188) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 189) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0030211 k( 190) = ( 0.2635135 0.2635135 0.2635135), wk = 0.0030211 k( 191) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0030211 k( 192) = ( 0.2770270 0.2770270 0.2770270), wk = 0.0030211 k( 193) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0030211 k( 194) = ( 0.2905405 0.2905405 0.2905405), wk = 0.0030211 k( 195) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0030211 k( 196) = ( 0.3040541 0.3040541 0.3040541), wk = 0.0030211 k( 197) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0030211 k( 198) = ( 0.3175676 0.3175676 0.3175676), wk = 0.0030211 k( 199) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0030211 k( 200) = ( 0.3310811 0.3310811 0.3310811), wk = 0.0030211 k( 201) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0030211 k( 202) = ( 0.3445946 0.3445946 0.3445946), wk = 0.0030211 k( 203) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0030211 k( 204) = ( 0.3581081 0.3581081 0.3581081), wk = 0.0030211 k( 205) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0030211 k( 206) = ( 0.3716216 0.3716216 0.3716216), wk = 0.0030211 k( 207) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0030211 k( 208) = ( 0.3851351 0.3851351 0.3851351), wk = 0.0030211 k( 209) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0030211 k( 210) = ( 0.3986486 0.3986486 0.3986486), wk = 0.0030211 k( 211) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0030211 k( 212) = ( 0.4121622 0.4121622 0.4121622), wk = 0.0030211 k( 213) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0030211 k( 214) = ( 0.4256757 0.4256757 0.4256757), wk = 0.0030211 k( 215) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0030211 k( 216) = ( 0.4391892 0.4391892 0.4391892), wk = 0.0030211 k( 217) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0030211 k( 218) = ( 0.4527027 0.4527027 0.4527027), wk = 0.0030211 k( 219) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0030211 k( 220) = ( 0.4662162 0.4662162 0.4662162), wk = 0.0030211 k( 221) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0030211 k( 222) = ( 0.4797297 0.4797297 0.4797297), wk = 0.0030211 k( 223) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0030211 k( 224) = ( 0.4932432 0.4932432 0.4932432), wk = 0.0030211 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 227) = ( 0.4918033 0.5000000 0.4918033), wk = 0.0030211 k( 228) = ( 0.4836066 0.5000000 0.4836066), wk = 0.0030211 k( 229) = ( 0.4754098 0.5000000 0.4754098), wk = 0.0030211 k( 230) = ( 0.4672131 0.5000000 0.4672131), wk = 0.0030211 k( 231) = ( 0.4590164 0.5000000 0.4590164), wk = 0.0030211 k( 232) = ( 0.4508197 0.5000000 0.4508197), wk = 0.0030211 k( 233) = ( 0.4426230 0.5000000 0.4426230), wk = 0.0030211 k( 234) = ( 0.4344262 0.5000000 0.4344262), wk = 0.0030211 k( 235) = ( 0.4262295 0.5000000 0.4262295), wk = 0.0030211 k( 236) = ( 0.4180328 0.5000000 0.4180328), wk = 0.0030211 k( 237) = ( 0.4098361 0.5000000 0.4098361), wk = 0.0030211 k( 238) = ( 0.4016393 0.5000000 0.4016393), wk = 0.0030211 k( 239) = ( 0.3934426 0.5000000 0.3934426), wk = 0.0030211 k( 240) = ( 0.3852459 0.5000000 0.3852459), wk = 0.0030211 k( 241) = ( 0.3770492 0.5000000 0.3770492), wk = 0.0030211 k( 242) = ( 0.3688525 0.5000000 0.3688525), wk = 0.0030211 k( 243) = ( 0.3606557 0.5000000 0.3606557), wk = 0.0030211 k( 244) = ( 0.3524590 0.5000000 0.3524590), wk = 0.0030211 k( 245) = ( 0.3442623 0.5000000 0.3442623), wk = 0.0030211 k( 246) = ( 0.3360656 0.5000000 0.3360656), wk = 0.0030211 k( 247) = ( 0.3278688 0.5000000 0.3278688), wk = 0.0030211 k( 248) = ( 0.3196721 0.5000000 0.3196721), wk = 0.0030211 k( 249) = ( 0.3114754 0.5000000 0.3114754), wk = 0.0030211 k( 250) = ( 0.3032787 0.5000000 0.3032787), wk = 0.0030211 k( 251) = ( 0.2950820 0.5000000 0.2950820), wk = 0.0030211 k( 252) = ( 0.2868852 0.5000000 0.2868852), wk = 0.0030211 k( 253) = ( 0.2786885 0.5000000 0.2786885), wk = 0.0030211 k( 254) = ( 0.2704918 0.5000000 0.2704918), wk = 0.0030211 k( 255) = ( 0.2622951 0.5000000 0.2622951), wk = 0.0030211 k( 256) = ( 0.2540984 0.5000000 0.2540984), wk = 0.0030211 k( 257) = ( 0.2459016 0.5000000 0.2459016), wk = 0.0030211 k( 258) = ( 0.2377049 0.5000000 0.2377049), wk = 0.0030211 k( 259) = ( 0.2295082 0.5000000 0.2295082), wk = 0.0030211 k( 260) = ( 0.2213115 0.5000000 0.2213115), wk = 0.0030211 k( 261) = ( 0.2131147 0.5000000 0.2131147), wk = 0.0030211 k( 262) = ( 0.2049180 0.5000000 0.2049180), wk = 0.0030211 k( 263) = ( 0.1967213 0.5000000 0.1967213), wk = 0.0030211 k( 264) = ( 0.1885246 0.5000000 0.1885246), wk = 0.0030211 k( 265) = ( 0.1803279 0.5000000 0.1803279), wk = 0.0030211 k( 266) = ( 0.1721312 0.5000000 0.1721312), wk = 0.0030211 k( 267) = ( 0.1639344 0.5000000 0.1639344), wk = 0.0030211 k( 268) = ( 0.1557377 0.5000000 0.1557377), wk = 0.0030211 k( 269) = ( 0.1475410 0.5000000 0.1475410), wk = 0.0030211 k( 270) = ( 0.1393443 0.5000000 0.1393443), wk = 0.0030211 k( 271) = ( 0.1311475 0.5000000 0.1311475), wk = 0.0030211 k( 272) = ( 0.1229508 0.5000000 0.1229508), wk = 0.0030211 k( 273) = ( 0.1147541 0.5000000 0.1147541), wk = 0.0030211 k( 274) = ( 0.1065574 0.5000000 0.1065574), wk = 0.0030211 k( 275) = ( 0.0983607 0.5000000 0.0983607), wk = 0.0030211 k( 276) = ( 0.0901639 0.5000000 0.0901639), wk = 0.0030211 k( 277) = ( 0.0819672 0.5000000 0.0819672), wk = 0.0030211 k( 278) = ( 0.0737705 0.5000000 0.0737705), wk = 0.0030211 k( 279) = ( 0.0655738 0.5000000 0.0655738), wk = 0.0030211 k( 280) = ( 0.0573770 0.5000000 0.0573770), wk = 0.0030211 k( 281) = ( 0.0491803 0.5000000 0.0491803), wk = 0.0030211 k( 282) = ( 0.0409836 0.5000000 0.0409836), wk = 0.0030211 k( 283) = ( 0.0327869 0.5000000 0.0327869), wk = 0.0030211 k( 284) = ( 0.0245902 0.5000000 0.0245902), wk = 0.0030211 k( 285) = ( 0.0163934 0.5000000 0.0163934), wk = 0.0030211 k( 286) = ( 0.0081967 0.5000000 0.0081967), wk = 0.0030211 k( 287) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030211 k( 288) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 289) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030211 k( 290) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030211 k( 291) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030211 k( 292) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030211 k( 293) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030211 k( 294) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030211 k( 295) = ( 0.5000000 0.5000000 0.0813954), wk = 0.0030211 k( 296) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030211 k( 297) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030211 k( 298) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030211 k( 299) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030211 k( 300) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030211 k( 301) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030211 k( 302) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030211 k( 303) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030211 k( 304) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030211 k( 305) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030211 k( 306) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030211 k( 307) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030211 k( 308) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030211 k( 309) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030211 k( 310) = ( 0.5000000 0.5000000 0.2558140), wk = 0.0030211 k( 311) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030211 k( 312) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030211 k( 313) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030211 k( 314) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030211 k( 315) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030211 k( 316) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030211 k( 317) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030211 k( 318) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030211 k( 319) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030211 k( 320) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030211 k( 321) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030211 k( 322) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030211 k( 323) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030211 k( 324) = ( 0.5000000 0.5000000 0.4186047), wk = 0.0030211 k( 325) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030211 k( 326) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030211 k( 327) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030211 k( 328) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030211 k( 329) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030211 k( 330) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030211 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 Dense grid: 33401 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14795 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 112, 44) NL pseudopotentials 0.08 Mb ( 56, 90) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 929) G-vector shells 0.00 Mb ( 255) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 112, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.12 Mb ( 90, 2, 44) The potential is recalculated from file : ./GePbO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.3 secs Computing kpt #: 24 total cpu time spent up to now is 6.5 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 7.0 secs Computing kpt #: 28 total cpu time spent up to now is 7.2 secs Computing kpt #: 29 total cpu time spent up to now is 7.4 secs Computing kpt #: 30 total cpu time 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cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.4 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.8 secs Computing kpt #: 50 total cpu time spent up to now is 11.0 secs Computing kpt #: 51 total cpu time spent up to now is 11.1 secs Computing kpt #: 52 total cpu time spent up to now is 11.3 secs Computing kpt #: 53 total cpu time spent up to now is 11.5 secs Computing kpt #: 54 total cpu time spent up to now is 11.7 secs Computing kpt #: 55 total cpu time spent up to now is 11.8 secs Computing kpt #: 56 total cpu time spent up to now is 12.0 secs Computing kpt #: 57 total cpu time spent up to now is 12.2 secs Computing kpt #: 58 total cpu time spent up to now is 12.4 secs Computing kpt #: 59 total cpu time spent up to now is 12.6 secs Computing kpt #: 60 total cpu time spent up to now is 12.7 secs Computing kpt #: 61 total cpu time spent up to now is 12.9 secs Computing kpt #: 62 total cpu time spent up to now is 13.1 secs Computing kpt #: 63 total cpu time spent up to now is 13.3 secs Computing kpt #: 64 total cpu time spent up to now is 13.5 secs Computing kpt #: 65 total cpu time spent up to now is 13.6 secs Computing kpt #: 66 total cpu time spent up to now is 13.8 secs Computing kpt #: 67 total cpu time spent up to now is 14.0 secs Computing kpt #: 68 total cpu time spent up to now is 14.2 secs Computing kpt #: 69 total cpu time spent up to now is 14.4 secs Computing kpt #: 70 total cpu time spent up to now is 14.5 secs Computing kpt #: 71 total cpu time spent up to now is 14.7 secs Computing kpt #: 72 total cpu time spent up to now is 14.9 secs Computing kpt #: 73 total cpu time spent up to now is 15.1 secs Computing kpt #: 74 total cpu time spent up to now is 15.3 secs Computing kpt #: 75 total cpu time spent up to now is 15.4 secs Computing kpt #: 76 total cpu time spent up to now is 15.6 secs Computing kpt #: 77 total cpu time spent 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total cpu time spent up to now is 27.3 secs Computing kpt #: 140 total cpu time spent up to now is 27.5 secs Computing kpt #: 141 total cpu time spent up to now is 27.7 secs Computing kpt #: 142 total cpu time spent up to now is 27.9 secs Computing kpt #: 143 total cpu time spent up to now is 28.1 secs Computing kpt #: 144 total cpu time spent up to now is 28.3 secs Computing kpt #: 145 total cpu time spent up to now is 28.5 secs Computing kpt #: 146 total cpu time spent up to now is 28.7 secs Computing kpt #: 147 total cpu time spent up to now is 28.9 secs Computing kpt #: 148 total cpu time spent up to now is 29.1 secs Computing kpt #: 149 total cpu time spent up to now is 29.3 secs Computing kpt #: 150 total cpu time spent up to now is 29.5 secs Computing kpt #: 151 total cpu time spent up to now is 29.7 secs Computing kpt #: 152 total cpu time spent up to now is 29.9 secs Computing kpt #: 153 total cpu time spent up to now is 30.1 secs Computing kpt #: 154 total cpu time spent up 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total cpu time spent up to now is 36.1 secs Computing kpt #: 186 total cpu time spent up to now is 36.3 secs Computing kpt #: 187 total cpu time spent up to now is 36.5 secs Computing kpt #: 188 total cpu time spent up to now is 36.7 secs Computing kpt #: 189 total cpu time spent up to now is 36.8 secs Computing kpt #: 190 total cpu time spent up to now is 37.0 secs Computing kpt #: 191 total cpu time spent up to now is 37.2 secs Computing kpt #: 192 total cpu time spent up to now is 37.4 secs Computing kpt #: 193 total cpu time spent up to now is 37.6 secs Computing kpt #: 194 total cpu time spent up to now is 37.7 secs Computing kpt #: 195 total cpu time spent up to now is 37.9 secs Computing kpt #: 196 total cpu time spent up to now is 38.1 secs Computing kpt #: 197 total cpu time spent up to now is 38.3 secs Computing kpt #: 198 total cpu time spent up to now is 38.5 secs Computing kpt #: 199 total cpu time spent up to now is 38.7 secs Computing kpt #: 200 total cpu time spent up 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Computing kpt #: 216 total cpu time spent up to now is 42.3 secs Computing kpt #: 217 total cpu time spent up to now is 42.5 secs Computing kpt #: 218 total cpu time spent up to now is 42.7 secs Computing kpt #: 219 total cpu time spent up to now is 42.9 secs Computing kpt #: 220 total cpu time spent up to now is 43.1 secs Computing kpt #: 221 total cpu time spent up to now is 43.3 secs Computing kpt #: 222 total cpu time spent up to now is 43.6 secs Computing kpt #: 223 total cpu time spent up to now is 43.8 secs Computing kpt #: 224 total cpu time spent up to now is 44.0 secs Computing kpt #: 225 total cpu time spent up to now is 44.2 secs Computing kpt #: 226 total cpu time spent up to now is 44.4 secs Computing kpt #: 227 total cpu time spent up to now is 44.7 secs Computing kpt #: 228 total cpu time spent up to now is 44.9 secs Computing kpt #: 229 total cpu time spent up to now is 45.1 secs Computing kpt #: 230 total cpu time spent up to now is 45.3 secs Computing kpt #: 231 total cpu time spent up to now is 45.5 secs Computing kpt #: 232 total cpu time spent up to now is 45.8 secs Computing kpt #: 233 total cpu time spent up to now is 46.0 secs Computing kpt #: 234 total cpu time spent up to now is 46.2 secs Computing kpt #: 235 total cpu time spent up to now is 46.4 secs Computing kpt #: 236 total cpu time spent up to now is 46.7 secs Computing kpt #: 237 total cpu time spent up to now is 46.9 secs Computing kpt #: 238 total cpu time spent up to now is 47.1 secs Computing kpt #: 239 total cpu time spent up to now is 47.4 secs Computing kpt #: 240 total cpu time spent up to now is 47.6 secs Computing kpt #: 241 total cpu time spent up to now is 47.8 secs Computing kpt #: 242 total cpu time spent up to now is 48.0 secs Computing kpt #: 243 total cpu time spent up to now is 48.2 secs Computing kpt #: 244 total cpu time spent up to now is 48.5 secs Computing kpt #: 245 total cpu time spent up to now is 48.7 secs Computing kpt #: 246 total cpu time spent up to now is 48.9 secs Computing kpt #: 247 total cpu time spent up to now is 49.1 secs Computing kpt #: 248 total cpu time spent up to now is 49.3 secs Computing kpt #: 249 total cpu time spent up to now is 49.5 secs Computing kpt #: 250 total cpu time spent up to now is 49.7 secs Computing kpt #: 251 total cpu time spent up to now is 49.9 secs Computing kpt #: 252 total cpu time spent up to now is 50.1 secs Computing kpt #: 253 total cpu time spent up to now is 50.3 secs Computing kpt #: 254 total cpu time spent up to now is 50.5 secs Computing kpt #: 255 total cpu time spent up to now is 50.7 secs Computing kpt #: 256 total cpu time spent up to now is 50.9 secs Computing kpt #: 257 total cpu time spent up to now is 51.1 secs Computing kpt #: 258 total cpu time spent up to now is 51.3 secs Computing kpt #: 259 total cpu time spent up to now is 51.5 secs Computing kpt #: 260 total cpu time spent up to now is 51.7 secs Computing kpt #: 261 total cpu time spent up to now is 51.9 secs Computing kpt #: 262 total cpu time spent up to now is 52.1 secs Computing kpt #: 263 total cpu time spent up to now is 52.3 secs Computing kpt #: 264 total cpu time spent up to now is 52.5 secs Computing kpt #: 265 total cpu time spent up to now is 52.7 secs Computing kpt #: 266 total cpu time spent up to now is 52.8 secs Computing kpt #: 267 total cpu time spent up to now is 53.0 secs Computing kpt #: 268 total cpu time spent up to now is 53.2 secs Computing kpt #: 269 total cpu time spent up to now is 53.4 secs Computing kpt #: 270 total cpu time spent up to now is 53.6 secs Computing kpt #: 271 total cpu time spent up to now is 53.8 secs Computing kpt #: 272 total cpu time spent up to now is 54.0 secs Computing kpt #: 273 total cpu time spent up to now is 54.1 secs Computing kpt #: 274 total cpu time spent up to now is 54.3 secs Computing kpt #: 275 total cpu time spent up to now is 54.5 secs Computing kpt #: 276 total cpu time spent up to now is 54.7 secs Computing kpt #: 277 total cpu time spent up to now is 54.8 secs Computing kpt #: 278 total cpu time spent up to now is 55.0 secs Computing kpt #: 279 total cpu time spent up to now is 55.2 secs Computing kpt #: 280 total cpu time spent up to now is 55.4 secs Computing kpt #: 281 total cpu time spent up to now is 55.5 secs Computing kpt #: 282 total cpu time spent up to now is 55.7 secs Computing kpt #: 283 total cpu time spent up to now is 55.9 secs Computing kpt #: 284 total cpu time spent up to now is 56.1 secs Computing kpt #: 285 total cpu time spent up to now is 56.2 secs Computing kpt #: 286 total cpu time spent up to now is 56.4 secs Computing kpt #: 287 total cpu time spent up to now is 56.6 secs Computing kpt #: 288 total cpu time spent up to now is 56.8 secs Computing kpt #: 289 total cpu time spent up to now is 56.9 secs Computing kpt #: 290 total cpu time spent up to now is 57.1 secs Computing kpt #: 291 total cpu time spent up to now is 57.3 secs Computing kpt #: 292 total cpu time spent up to now is 57.5 secs Computing kpt #: 293 total cpu time spent up to now is 57.7 secs Computing kpt #: 294 total cpu time spent up to now is 57.9 secs Computing kpt #: 295 total cpu time spent up to now is 58.1 secs Computing kpt #: 296 total cpu time spent up to now is 58.3 secs Computing kpt #: 297 total cpu time spent up to now is 58.4 secs Computing kpt #: 298 total cpu time spent up to now is 58.6 secs Computing kpt #: 299 total cpu time spent up to now is 58.8 secs Computing kpt #: 300 total cpu time spent up to now is 59.0 secs Computing kpt #: 301 total cpu time spent up to now is 59.2 secs Computing kpt #: 302 total cpu time spent up to now is 59.4 secs Computing kpt #: 303 total cpu time spent up to now is 59.6 secs Computing kpt #: 304 total cpu time spent up to now is 59.8 secs Computing kpt #: 305 total cpu time spent up to now is 60.0 secs Computing kpt #: 306 total cpu time spent up to now is 60.2 secs Computing kpt #: 307 total cpu time spent up to now is 60.4 secs Computing kpt #: 308 total cpu time spent up to now is 60.6 secs Computing kpt #: 309 total cpu time spent up to now is 60.8 secs Computing kpt #: 310 total cpu time spent up to now is 61.0 secs Computing kpt #: 311 total cpu time spent up to now is 61.2 secs Computing kpt #: 312 total cpu time spent up to now is 61.4 secs Computing kpt #: 313 total cpu time spent up to now is 61.7 secs Computing kpt #: 314 total cpu time spent up to now is 61.9 secs Computing kpt #: 315 total cpu time spent up to now is 62.1 secs Computing kpt #: 316 total cpu time spent up to now is 62.3 secs Computing kpt #: 317 total cpu time spent up to now is 62.5 secs Computing kpt #: 318 total cpu time spent up to now is 62.8 secs Computing kpt #: 319 total cpu time spent up to now is 63.0 secs Computing kpt #: 320 total cpu time spent up to now is 63.2 secs Computing kpt #: 321 total cpu time spent up to now is 63.4 secs Computing kpt #: 322 total cpu time spent up to now is 63.6 secs Computing kpt #: 323 total cpu time spent up to now is 63.9 secs Computing kpt #: 324 total cpu time spent up to now is 64.1 secs Computing kpt #: 325 total cpu time spent up to now is 64.3 secs Computing kpt #: 326 total cpu time spent up to now is 64.5 secs Computing kpt #: 327 total cpu time spent up to now is 64.7 secs Computing kpt #: 328 total cpu time spent up to now is 65.0 secs Computing kpt #: 329 total cpu time spent up to now is 65.2 secs Computing kpt #: 330 total cpu time spent up to now is 65.4 secs Computing kpt #: 331 total cpu time spent up to now is 65.6 secs ethr = 2.78E-08, avg # of iterations = 15.7 total cpu time spent up to now is 65.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -8.2874 -8.2874 -4.6118 -4.6118 -4.6118 -4.6118 -3.4728 -3.4728 -3.4728 -3.4728 -1.1373 -1.1373 -1.0760 -1.0760 -1.0760 -1.0760 4.8833 4.8833 5.0726 5.0726 5.0726 5.0726 7.4083 7.4083 10.5828 10.5828 10.7793 10.7793 10.7793 10.7793 10.7958 10.7958 10.8490 10.8490 10.8490 10.8490 13.5013 13.5013 20.0851 20.0851 22.9623 22.9623 22.9623 22.9623 k = 0.0000 0.0116-0.0000 ( 1859 PWs) bands (ev): -8.2865 -8.2865 -4.6129 -4.6129 -4.6115 -4.6115 -3.4733 -3.4733 -3.4731 -3.4731 -1.1374 -1.1374 -1.0763 -1.0763 -1.0761 -1.0761 4.8836 4.8836 5.0718 5.0718 5.0736 5.0736 7.4105 7.4105 10.5815 10.5815 10.7789 10.7789 10.7790 10.7790 10.7954 10.7954 10.8468 10.8468 10.8484 10.8484 13.5085 13.5085 20.0800 20.0800 22.9382 22.9382 22.9579 22.9579 k = 0.0000 0.0233-0.0000 ( 1855 PWs) bands (ev): -8.2838 -8.2838 -4.6160 -4.6160 -4.6103 -4.6103 -3.4748 -3.4748 -3.4738 -3.4738 -1.1379 -1.1379 -1.0772 -1.0772 -1.0764 -1.0764 4.8845 4.8845 5.0695 5.0695 5.0766 5.0766 7.4167 7.4167 10.5775 10.5775 10.7777 10.7777 10.7781 10.7781 10.7942 10.7942 10.8406 10.8406 10.8468 10.8468 13.5301 13.5301 20.0648 20.0648 22.8733 22.8733 22.9449 22.9449 k = 0.0000 0.0349-0.0000 ( 1855 PWs) bands (ev): -8.2793 -8.2793 -4.6212 -4.6212 -4.6085 -4.6085 -3.4772 -3.4772 -3.4751 -3.4751 -1.1387 -1.1387 -1.0787 -1.0787 -1.0770 -1.0770 4.8857 4.8857 5.0661 5.0661 5.0815 5.0815 7.4268 7.4268 10.5709 10.5709 10.7756 10.7756 10.7763 10.7763 10.7916 10.7916 10.8311 10.8311 10.8450 10.8450 13.5654 13.5654 20.0396 20.0396 22.7813 22.7813 22.9236 22.9236 k = 0.0000 0.0465-0.0000 ( 1855 PWs) bands (ev): -8.2731 -8.2731 -4.6285 -4.6285 -4.6059 -4.6059 -3.4805 -3.4805 -3.4768 -3.4768 -1.1398 -1.1398 -1.0807 -1.0807 -1.0777 -1.0777 4.8869 4.8869 5.0622 5.0622 5.0884 5.0884 7.4402 7.4402 10.5615 10.5615 10.7719 10.7719 10.7730 10.7730 10.7874 10.7874 10.8200 10.8200 10.8439 10.8439 13.6139 13.6139 20.0046 20.0046 22.6734 22.6734 22.8946 22.8946 k = 0.0000 0.0581-0.0000 ( 1855 PWs) bands (ev): -8.2650 -8.2650 -4.6379 -4.6379 -4.6025 -4.6025 -3.4847 -3.4847 -3.4791 -3.4791 -1.1412 -1.1412 -1.0834 -1.0834 -1.0786 -1.0786 4.8876 4.8876 5.0585 5.0585 5.0972 5.0972 7.4561 7.4561 10.5495 10.5495 10.7650 10.7650 10.7666 10.7666 10.7823 10.7823 10.8101 10.8101 10.8443 10.8443 13.6746 13.6746 19.9602 19.9602 22.5563 22.5563 22.8585 22.8585 k = 0.0000 0.0698-0.0000 ( 1863 PWs) bands (ev): -8.2552 -8.2552 -4.6494 -4.6494 -4.5985 -4.5985 -3.4897 -3.4897 -3.4819 -3.4819 -1.1430 -1.1430 -1.0865 -1.0865 -1.0797 -1.0797 4.8872 4.8872 5.0560 5.0560 5.1079 5.1079 7.4737 7.4737 10.5353 10.5353 10.7530 10.7530 10.7554 10.7554 10.7777 10.7777 10.8043 10.8043 10.8468 10.8468 13.7465 13.7465 19.9065 19.9065 22.4339 22.4339 22.8161 22.8161 k = 0.0000 0.0814-0.0000 ( 1859 PWs) bands (ev): -8.2436 -8.2436 -4.6631 -4.6631 -4.5937 -4.5937 -3.4955 -3.4955 -3.4852 -3.4852 -1.1451 -1.1451 -1.0901 -1.0901 -1.0810 -1.0810 4.8851 4.8851 5.0559 5.0559 5.1204 5.1204 7.4918 7.4918 10.5193 10.5193 10.7365 10.7365 10.7394 10.7394 10.7737 10.7737 10.8034 10.8034 10.8512 10.8512 13.8286 13.8286 19.8442 19.8442 22.3088 22.3088 22.7682 22.7682 k = 0.0000 0.0930-0.0000 ( 1867 PWs) bands (ev): -8.2303 -8.2303 -4.6790 -4.6790 -4.5882 -4.5882 -3.5019 -3.5019 -3.4889 -3.4889 -1.1475 -1.1475 -1.0943 -1.0943 -1.0824 -1.0824 4.8808 4.8808 5.0588 5.0588 5.1348 5.1348 7.5095 7.5095 10.5023 10.5023 10.7176 10.7176 10.7194 10.7194 10.7697 10.7697 10.8060 10.8060 10.8573 10.8573 13.9197 13.9197 19.7736 19.7736 22.1824 22.1824 22.7155 22.7155 k = 0.0000 0.1047-0.0000 ( 1867 PWs) bands (ev): -8.2153 -8.2153 -4.6971 -4.6971 -4.5821 -4.5821 -3.5090 -3.5090 -3.4932 -3.4932 -1.1503 -1.1503 -1.0988 -1.0988 -1.0839 -1.0839 4.8743 4.8743 5.0652 5.0652 5.1510 5.1510 7.5255 7.5255 10.4847 10.4847 10.6960 10.6960 10.6985 10.6985 10.7655 10.7655 10.8112 10.8112 10.8649 10.8649 14.0191 14.0191 19.6951 19.6951 22.0559 22.0559 22.6589 22.6589 k = 0.0000 0.1163-0.0000 ( 1863 PWs) bands (ev): -8.1985 -8.1985 -4.7175 -4.7175 -4.5752 -4.5752 -3.5165 -3.5165 -3.4979 -3.4979 -1.1534 -1.1534 -1.1037 -1.1037 -1.0855 -1.0855 4.8659 4.8659 5.0753 5.0753 5.1688 5.1688 7.5387 7.5387 10.4667 10.4667 10.6696 10.6696 10.6810 10.6810 10.7611 10.7611 10.8185 10.8185 10.8737 10.8737 14.1257 14.1257 19.6093 19.6093 21.9300 21.9300 22.5990 22.5990 k = 0.0000 0.1279-0.0000 ( 1863 PWs) bands (ev): -8.1801 -8.1801 -4.7401 -4.7401 -4.5677 -4.5677 -3.5244 -3.5244 -3.5032 -3.5032 -1.1569 -1.1569 -1.1089 -1.1089 -1.0873 -1.0873 4.8561 4.8561 5.0887 5.0887 5.1884 5.1884 7.5480 7.5480 10.4479 10.4479 10.6404 10.6404 10.6673 10.6673 10.7564 10.7564 10.8276 10.8276 10.8836 10.8836 14.2387 14.2387 19.5165 19.5165 21.8054 21.8054 22.5366 22.5366 k = 0.0000 0.1395-0.0000 ( 1855 PWs) bands (ev): -8.1599 -8.1599 -4.7649 -4.7649 -4.5595 -4.5595 -3.5326 -3.5326 -3.5089 -3.5089 -1.1607 -1.1607 -1.1143 -1.1143 -1.0891 -1.0891 4.8458 4.8458 5.1052 5.1052 5.2096 5.2096 7.5523 7.5523 10.4273 10.4273 10.6088 10.6088 10.6597 10.6597 10.7513 10.7513 10.8383 10.8383 10.8944 10.8944 14.3575 14.3575 19.4173 19.4173 21.6826 21.6826 22.4722 22.4722 k = 0.0000 0.1512-0.0000 ( 1867 PWs) bands (ev): -8.1382 -8.1382 -4.7920 -4.7920 -4.5507 -4.5507 -3.5410 -3.5410 -3.5151 -3.5151 -1.1650 -1.1650 -1.1199 -1.1199 -1.0909 -1.0909 4.8354 4.8354 5.1243 5.1243 5.2322 5.2322 7.5508 7.5508 10.4038 10.4038 10.5748 10.5748 10.6606 10.6606 10.7460 10.7460 10.8506 10.8506 10.9062 10.9062 14.4814 14.4814 19.3121 19.3121 21.5619 21.5619 22.4063 22.4063 k = 0.0000 0.1628-0.0000 ( 1867 PWs) bands (ev): -8.1148 -8.1148 -4.8214 -4.8214 -4.5413 -4.5413 -3.5496 -3.5496 -3.5217 -3.5217 -1.1698 -1.1698 -1.1255 -1.1255 -1.0928 -1.0928 4.8256 4.8256 5.1457 5.1457 5.2564 5.2564 7.5429 7.5429 10.3766 10.3766 10.5386 10.5386 10.6716 10.6716 10.7404 10.7404 10.8645 10.8645 10.9187 10.9187 14.6097 14.6097 19.2015 19.2015 21.4439 21.4439 22.3395 22.3395 k = 0.0000 0.1744-0.0000 ( 1867 PWs) bands (ev): -8.0899 -8.0899 -4.8530 -4.8530 -4.5313 -4.5313 -3.5582 -3.5582 -3.5288 -3.5288 -1.1750 -1.1750 -1.1312 -1.1312 -1.0946 -1.0946 4.8167 4.8167 5.1692 5.1692 5.2819 5.2819 7.5281 7.5281 10.3452 10.3452 10.5006 10.5006 10.6934 10.6934 10.7346 10.7346 10.8800 10.8800 10.9320 10.9320 14.7420 14.7420 19.0858 19.0858 21.3286 21.3286 22.2722 22.2722 k = 0.0000 0.1860-0.0000 ( 1859 PWs) bands (ev): -8.0633 -8.0633 -4.8867 -4.8867 -4.5207 -4.5207 -3.5668 -3.5668 -3.5364 -3.5364 -1.1807 -1.1807 -1.1367 -1.1367 -1.0965 -1.0965 4.8093 4.8093 5.1945 5.1945 5.3087 5.3087 7.5063 7.5063 10.3101 10.3101 10.4607 10.4607 10.7256 10.7256 10.7285 10.7285 10.8977 10.8977 10.9459 10.9459 14.8778 14.8778 18.9655 18.9655 21.2165 21.2165 22.2048 22.2048 k = 0.0000 0.1977-0.0000 ( 1859 PWs) bands (ev): -8.0353 -8.0353 -4.9226 -4.9226 -4.5096 -4.5096 -3.5753 -3.5753 -3.5444 -3.5444 -1.1869 -1.1869 -1.1422 -1.1422 -1.0983 -1.0983 4.8036 4.8036 5.2214 5.2214 5.3367 5.3367 7.4775 7.4775 10.2717 10.2717 10.4192 10.4192 10.7224 10.7224 10.7666 10.7666 10.9184 10.9184 10.9603 10.9603 15.0167 15.0167 18.8411 18.8411 21.1076 21.1076 22.1376 22.1376 k = 0.0000 0.2093-0.0000 ( 1859 PWs) bands (ev): -8.0059 -8.0059 -4.9606 -4.9606 -4.4980 -4.4980 -3.5836 -3.5836 -3.5528 -3.5528 -1.1936 -1.1936 -1.1474 -1.1474 -1.1001 -1.1001 4.7999 4.7999 5.2497 5.2497 5.3657 5.3657 7.4420 7.4420 10.2305 10.2305 10.3764 10.3764 10.7161 10.7161 10.8135 10.8135 10.9446 10.9446 10.9752 10.9752 15.1582 15.1582 18.7131 18.7131 21.0022 21.0022 22.0709 22.0709 k = 0.0000 0.2209-0.0000 ( 1859 PWs) bands (ev): -7.9750 -7.9750 -5.0005 -5.0005 -4.4859 -4.4859 -3.5917 -3.5917 -3.5616 -3.5616 -1.2006 -1.2006 -1.1524 -1.1524 -1.1018 -1.1018 4.7983 4.7983 5.2793 5.2793 5.3957 5.3957 7.4001 7.4001 10.1872 10.1872 10.3323 10.3323 10.7097 10.7097 10.8603 10.8603 10.9811 10.9811 10.9904 10.9904 15.3020 15.3020 18.5818 18.5818 20.9002 20.9002 22.0050 22.0050 k = 0.0000 0.2326-0.0000 ( 1859 PWs) bands (ev): -7.9428 -7.9428 -5.0422 -5.0422 -4.4733 -4.4733 -3.5996 -3.5996 -3.5708 -3.5708 -1.2081 -1.2081 -1.1573 -1.1573 -1.1035 -1.1035 4.7991 4.7991 5.3099 5.3099 5.4265 5.4265 7.3524 7.3524 10.1422 10.1422 10.2872 10.2872 10.7032 10.7032 10.8998 10.8998 11.0060 11.0060 11.0343 11.0343 15.4477 15.4477 18.4478 18.4478 20.8020 20.8020 21.9402 21.9402 k = 0.0000 0.2442-0.0000 ( 1871 PWs) bands (ev): -7.9093 -7.9093 -5.0857 -5.0857 -4.4604 -4.4604 -3.6071 -3.6071 -3.5804 -3.5804 -1.2158 -1.2158 -1.1619 -1.1619 -1.1050 -1.1050 4.8023 4.8023 5.3415 5.3415 5.4581 5.4581 7.2995 7.2995 10.0958 10.0958 10.2414 10.2414 10.6967 10.6967 10.9303 10.9303 11.0218 11.0218 11.1049 11.1049 15.5950 15.5950 18.3114 18.3114 20.7074 20.7074 21.8766 21.8766 k = 0.0000 0.2558-0.0000 ( 1871 PWs) bands (ev): -7.8746 -7.8746 -5.1308 -5.1308 -4.4471 -4.4471 -3.6144 -3.6144 -3.5903 -3.5903 -1.2238 -1.2238 -1.1663 -1.1663 -1.1065 -1.1065 4.8081 4.8081 5.3738 5.3738 5.4902 5.4902 7.2419 7.2419 10.0484 10.0484 10.1950 10.1950 10.6903 10.6903 10.9549 10.9549 11.0377 11.0377 11.1888 11.1888 15.7435 15.7435 18.1731 18.1731 20.6167 20.6167 21.8145 21.8145 k = 0.0000 0.2674-0.0000 ( 1855 PWs) bands (ev): -7.8387 -7.8387 -5.1773 -5.1773 -4.4335 -4.4335 -3.6213 -3.6213 -3.6005 -3.6005 -1.2319 -1.2319 -1.1705 -1.1705 -1.1079 -1.1079 4.8164 4.8164 5.4068 5.4068 5.5227 5.5227 7.1805 7.1805 10.0003 10.0003 10.1482 10.1482 10.6839 10.6839 10.9765 10.9765 11.0537 11.0537 11.2821 11.2821 15.8929 15.8929 18.0334 18.0334 20.5298 20.5298 21.7541 21.7541 k = 0.0000 0.2791-0.0000 ( 1855 PWs) bands (ev): -7.8018 -7.8018 -5.2251 -5.2251 -4.4196 -4.4196 -3.6278 -3.6278 -3.6110 -3.6110 -1.2400 -1.2400 -1.1745 -1.1745 -1.1092 -1.1092 4.8274 4.8274 5.4401 5.4401 5.5555 5.5555 7.1157 7.1157 9.9519 9.9519 10.1013 10.1013 10.6775 10.6775 10.9965 10.9965 11.0696 11.0696 11.3825 11.3825 16.0426 16.0426 17.8926 17.8926 20.4468 20.4468 21.6955 21.6955 k = 0.0000 0.2907-0.0000 ( 1855 PWs) bands (ev): -7.7639 -7.7639 -5.2740 -5.2740 -4.4055 -4.4055 -3.6340 -3.6340 -3.6218 -3.6218 -1.2482 -1.2482 -1.1784 -1.1784 -1.1103 -1.1103 4.8411 4.8411 5.4736 5.4736 5.5885 5.5885 7.0481 7.0481 9.9034 9.9034 10.0546 10.0546 10.6713 10.6713 11.0154 11.0154 11.0854 11.0854 11.4884 11.4884 16.1923 16.1923 17.7512 17.7512 20.3676 20.3676 21.6390 21.6390 k = 0.0000 0.3023-0.0000 ( 1859 PWs) bands (ev): -7.7252 -7.7252 -5.3237 -5.3237 -4.3912 -4.3912 -3.6398 -3.6398 -3.6328 -3.6328 -1.2563 -1.2563 -1.1820 -1.1820 -1.1114 -1.1114 4.8574 4.8574 5.5072 5.5072 5.6213 5.6213 6.9784 6.9784 9.8551 9.8551 10.0082 10.0082 10.6653 10.6653 11.0337 11.0337 11.1010 11.1010 11.5987 11.5987 16.3416 16.3416 17.6097 17.6097 20.2925 20.2925 21.5846 21.5846 k = 0.0000 0.3140-0.0000 ( 1859 PWs) bands (ev): -7.6859 -7.6859 -5.3742 -5.3742 -4.3768 -4.3768 -3.6453 -3.6453 -3.6440 -3.6440 -1.2643 -1.2643 -1.1856 -1.1856 -1.1124 -1.1124 4.8763 4.8763 5.5406 5.5406 5.6539 5.6539 6.9070 6.9070 9.8073 9.8073 9.9625 9.9625 10.6594 10.6594 11.0512 11.0512 11.1162 11.1162 11.7124 11.7124 16.4898 16.4898 17.4686 17.4686 20.2213 20.2213 21.5325 21.5325 k = 0.0000 0.3256-0.0000 ( 1859 PWs) bands (ev): -7.6460 -7.6460 -5.4250 -5.4250 -4.3624 -4.3624 -3.6553 -3.6553 -3.6503 -3.6503 -1.2721 -1.2721 -1.1889 -1.1889 -1.1133 -1.1133 4.8977 4.8977 5.5737 5.5737 5.6860 5.6860 6.8345 6.8345 9.7603 9.7603 9.9177 9.9177 10.6537 10.6537 11.0682 11.0682 11.1311 11.1311 11.8285 11.8285 16.6363 16.6363 17.3285 17.3285 20.1542 20.1542 21.4829 21.4829 k = 0.0000 0.3372-0.0000 ( 1863 PWs) bands (ev): -7.6057 -7.6057 -5.4759 -5.4759 -4.3480 -4.3480 -3.6667 -3.6667 -3.6550 -3.6550 -1.2797 -1.2797 -1.1920 -1.1920 -1.1140 -1.1140 4.9217 4.9217 5.6062 5.6062 5.7175 5.7175 6.7614 6.7614 9.7144 9.7144 9.8739 9.8739 10.6482 10.6482 11.0844 11.0844 11.1454 11.1454 11.9463 11.9463 16.7797 16.7797 17.1907 17.1907 20.0911 20.0911 21.4359 21.4359 k = 0.0000 0.3488-0.0000 ( 1863 PWs) bands (ev): -7.5653 -7.5653 -5.5267 -5.5267 -4.3337 -4.3337 -3.6781 -3.6781 -3.6593 -3.6593 -1.2870 -1.2870 -1.1950 -1.1950 -1.1147 -1.1147 4.9480 4.9480 5.6379 5.6379 5.7482 5.7482 6.6880 6.6880 9.6700 9.6700 9.8316 9.8316 10.6430 10.6430 11.1000 11.1000 11.1592 11.1592 12.0648 12.0648 16.9139 16.9139 17.0612 17.0612 20.0321 20.0321 21.3916 21.3916 k = 0.0000 0.3605-0.0000 ( 1851 PWs) bands (ev): -7.5250 -7.5250 -5.5770 -5.5770 -4.3197 -4.3197 -3.6894 -3.6894 -3.6633 -3.6633 -1.2939 -1.2939 -1.1978 -1.1978 -1.1153 -1.1153 4.9765 4.9765 5.6686 5.6686 5.7778 5.7778 6.6150 6.6150 9.6272 9.6272 9.7910 9.7910 10.6381 10.6381 11.1148 11.1148 11.1724 11.1724 12.1832 12.1832 16.9032 16.9032 17.0754 17.0754 19.9773 19.9773 21.3501 21.3501 k = 0.0000 0.3721-0.0000 ( 1851 PWs) bands (ev): -7.4851 -7.4851 -5.6265 -5.6265 -4.3060 -4.3060 -3.7005 -3.7005 -3.6669 -3.6669 -1.3004 -1.3004 -1.2004 -1.2004 -1.1158 -1.1158 5.0071 5.0071 5.6980 5.6980 5.8061 5.8061 6.5426 6.5426 9.5864 9.5864 9.7524 9.7524 10.6335 10.6335 11.1288 11.1288 11.1848 11.1848 12.3005 12.3005 16.7773 16.7773 17.2035 17.2035 19.9266 19.9266 21.3116 21.3116 k = 0.0000 0.3837-0.0000 ( 1860 PWs) bands (ev): -7.4458 -7.4458 -5.6747 -5.6747 -4.2927 -4.2927 -3.7114 -3.7114 -3.6702 -3.6702 -1.3066 -1.3066 -1.2027 -1.2027 -1.1162 -1.1162 5.0395 5.0395 5.7260 5.7260 5.8329 5.8329 6.4714 6.4714 9.5479 9.5479 9.7159 9.7159 10.6292 10.6292 11.1418 11.1418 11.1964 11.1964 12.4158 12.4158 16.6505 16.6505 17.3312 17.3312 19.8802 19.8802 21.2760 21.2760 k = 0.0000 0.3953-0.0000 ( 1860 PWs) bands (ev): -7.4076 -7.4076 -5.7212 -5.7212 -4.2799 -4.2799 -3.7220 -3.7220 -3.6731 -3.6731 -1.3122 -1.3122 -1.2049 -1.2049 -1.1166 -1.1166 5.0734 5.0734 5.7522 5.7522 5.8580 5.8580 6.4019 6.4019 9.5120 9.5120 9.6820 9.6820 10.6253 10.6253 11.1538 11.1538 11.2072 11.2072 12.5280 12.5280 16.5277 16.5277 17.4533 17.4533 19.8380 19.8380 21.2435 21.2435 k = 0.0000 0.4070-0.0000 ( 1860 PWs) bands (ev): -7.3710 -7.3710 -5.7655 -5.7655 -4.2679 -4.2679 -3.7320 -3.7320 -3.6757 -3.6757 -1.3174 -1.3174 -1.2069 -1.2069 -1.1169 -1.1169 5.1083 5.1083 5.7764 5.7764 5.8812 5.8812 6.3346 6.3346 9.4789 9.4789 9.6508 9.6508 10.6217 10.6217 11.1648 11.1648 11.2170 11.2170 12.6357 12.6357 16.4106 16.4106 17.5681 17.5681 19.8001 19.8001 21.2142 21.2142 k = 0.0000 0.4186-0.0000 ( 1852 PWs) bands (ev): -7.3364 -7.3364 -5.8070 -5.8070 -4.2566 -4.2566 -3.7414 -3.7414 -3.6780 -3.6780 -1.3220 -1.3220 -1.2086 -1.2086 -1.1172 -1.1172 5.1439 5.1439 5.7985 5.7985 5.9022 5.9022 6.2702 6.2702 9.4490 9.4490 9.6226 9.6226 10.6185 10.6185 11.1747 11.1747 11.2258 11.2258 12.7376 12.7376 16.3006 16.3006 17.6742 17.6742 19.7666 19.7666 21.1882 21.1882 k = 0.0000 0.4302-0.0000 ( 1852 PWs) bands (ev): -7.3043 -7.3043 -5.8451 -5.8451 -4.2464 -4.2464 -3.7500 -3.7500 -3.6800 -3.6800 -1.3260 -1.3260 -1.2102 -1.2102 -1.1174 -1.1174 5.1793 5.1793 5.8181 5.8181 5.9209 5.9209 6.2095 6.2095 9.4225 9.4225 9.5976 9.5976 10.6157 10.6157 11.1834 11.1834 11.2336 11.2336 12.8320 12.8320 16.1993 16.1993 17.7701 17.7701 19.7375 19.7375 21.1656 21.1656 k = 0.0000 0.4419-0.0000 ( 1856 PWs) bands (ev): -7.2756 -7.2756 -5.8791 -5.8791 -4.2374 -4.2374 -3.7577 -3.7577 -3.6816 -3.6816 -1.3295 -1.3295 -1.2115 -1.2115 -1.1175 -1.1175 5.2137 5.2137 5.8351 5.8351 5.9371 5.9371 6.1536 6.1536 9.3996 9.3996 9.5761 9.5761 10.6133 10.6133 11.1908 11.1908 11.2402 11.2402 12.9172 12.9172 16.1086 16.1086 17.8544 17.8544 19.7128 19.7128 21.1463 21.1463 k = 0.0000 0.4535-0.0000 ( 1856 PWs) bands (ev): -7.2507 -7.2507 -5.9083 -5.9083 -4.2297 -4.2297 -3.7642 -3.7642 -3.6830 -3.6830 -1.3324 -1.3324 -1.2125 -1.2125 -1.1177 -1.1177 5.2458 5.2458 5.8493 5.8493 5.9506 5.9506 6.1039 6.1039 9.3805 9.3805 9.5582 9.5582 10.6113 10.6113 11.1970 11.1970 11.2457 11.2457 12.9909 12.9909 16.0302 16.0302 17.9258 17.9258 19.6925 19.6925 21.1304 21.1304 k = 0.0000 0.4651-0.0000 ( 1856 PWs) bands (ev): -7.2305 -7.2305 -5.9320 -5.9320 -4.2235 -4.2235 -3.7695 -3.7695 -3.6840 -3.6840 -1.3347 -1.3347 -1.2134 -1.2134 -1.1178 -1.1178 5.2739 5.2739 5.8606 5.8606 5.9612 5.9612 6.0618 6.0618 9.3655 9.3655 9.5441 9.5441 10.6098 10.6098 11.2018 11.2018 11.2500 11.2500 13.0513 13.0513 15.9664 15.9664 17.9829 17.9829 19.6768 19.6768 21.1180 21.1180 k = 0.0000 0.4767-0.0000 ( 1848 PWs) bands (ev): -7.2154 -7.2154 -5.9495 -5.9495 -4.2190 -4.2190 -3.7734 -3.7734 -3.6848 -3.6848 -1.3363 -1.3363 -1.2140 -1.2140 -1.1178 -1.1178 5.2963 5.2963 5.8687 5.8687 5.9689 5.9689 6.0295 6.0295 9.3547 9.3547 9.5340 9.5340 10.6087 10.6087 11.2053 11.2053 11.2531 11.2531 13.0962 13.0962 15.9191 15.9191 18.0246 18.0246 19.6655 19.6655 21.1092 21.1092 k = 0.0000 0.4884-0.0000 ( 1848 PWs) bands (ev): -7.2062 -7.2062 -5.9602 -5.9602 -4.2162 -4.2162 -3.7758 -3.7758 -3.6852 -3.6852 -1.3372 -1.3372 -1.2143 -1.2143 -1.1179 -1.1179 5.3108 5.3108 5.8737 5.8737 5.9735 5.9735 6.0090 6.0090 9.3482 9.3482 9.5278 9.5278 10.6080 10.6080 11.2074 11.2074 11.2550 11.2550 13.1240 13.1240 15.8899 15.8899 18.0500 18.0500 19.6587 19.6587 21.1039 21.1039 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.2031 -7.2031 -5.9638 -5.9638 -4.2153 -4.2153 -3.7766 -3.7766 -3.6853 -3.6853 -1.3376 -1.3376 -1.2144 -1.2144 -1.1179 -1.1179 5.3158 5.3158 5.8754 5.8754 5.9751 5.9751 6.0019 6.0019 9.3460 9.3460 9.5258 9.5258 10.6078 10.6078 11.2081 11.2081 11.2556 11.2556 13.1334 13.1334 15.8800 15.8800 18.0585 18.0585 19.6565 19.6565 21.1021 21.1021 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.2031 -7.2031 -5.9638 -5.9638 -4.2153 -4.2153 -3.7766 -3.7766 -3.6853 -3.6853 -1.3376 -1.3376 -1.2144 -1.2144 -1.1179 -1.1179 5.3158 5.3158 5.8754 5.8754 5.9751 5.9751 6.0019 6.0019 9.3460 9.3460 9.5258 9.5258 10.6078 10.6078 11.2081 11.2081 11.2556 11.2556 13.1334 13.1334 15.8800 15.8800 18.0585 18.0585 19.6565 19.6565 21.1021 21.1021 k = 0.0116 0.5000-0.0000 ( 1848 PWs) bands (ev): -7.2024 -7.2024 -5.9634 -5.9634 -4.2174 -4.2174 -3.7763 -3.7763 -3.6847 -3.6847 -1.3372 -1.3372 -1.2144 -1.2144 -1.1178 -1.1178 5.3146 5.3146 5.8263 5.8263 5.9372 5.9372 6.0905 6.0905 9.3456 9.3456 9.5250 9.5250 10.6115 10.6115 11.2060 11.2060 11.2535 11.2535 13.1328 13.1328 15.8838 15.8838 18.0602 18.0602 19.6548 19.6548 21.0995 21.0995 k = 0.0233 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.2002 -7.2002 -5.9623 -5.9623 -4.2236 -4.2236 -3.7755 -3.7755 -3.6827 -3.6827 -1.3363 -1.3363 -1.2144 -1.2144 -1.1176 -1.1176 5.3108 5.3108 5.7265 5.7265 5.9303 5.9303 6.2021 6.2021 9.3443 9.3443 9.5230 9.5230 10.6226 10.6226 11.1996 11.1996 11.2475 11.2475 13.1310 13.1310 15.8953 15.8953 18.0654 18.0654 19.6498 19.6498 21.0916 21.0916 k = 0.0349 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1967 -7.1967 -5.9604 -5.9604 -4.2338 -4.2338 -3.7743 -3.7743 -3.6794 -3.6794 -1.3347 -1.3347 -1.2143 -1.2143 -1.1172 -1.1172 5.3046 5.3046 5.6192 5.6192 5.9306 5.9306 6.3171 6.3171 9.3417 9.3417 9.5203 9.5203 10.6406 10.6406 11.1886 11.1886 11.2381 11.2381 13.1280 13.1280 15.9143 15.9143 18.0739 18.0739 19.6417 19.6417 21.0786 21.0786 k = 0.0465 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1917 -7.1917 -5.9578 -5.9578 -4.2477 -4.2477 -3.7729 -3.7729 -3.6749 -3.6749 -1.3325 -1.3325 -1.2142 -1.2142 -1.1167 -1.1167 5.2960 5.2960 5.5114 5.5114 5.9331 5.9331 6.4336 6.4336 9.3373 9.3373 9.5179 9.5179 10.6652 10.6652 11.1723 11.1723 11.2260 11.2260 13.1238 13.1238 15.9405 15.9405 18.0859 18.0859 19.6305 19.6305 21.0606 21.0606 k = 0.0581 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1853 -7.1853 -5.9545 -5.9545 -4.2650 -4.2650 -3.7713 -3.7713 -3.6694 -3.6694 -1.3298 -1.3298 -1.2140 -1.2140 -1.1159 -1.1159 5.2850 5.2850 5.4048 5.4048 5.9367 5.9367 6.5509 6.5509 9.3306 9.3306 9.5168 9.5168 10.6957 10.6957 11.1506 11.1506 11.2120 11.2120 13.1185 13.1185 15.9736 15.9736 18.1013 18.1013 19.6163 19.6163 21.0378 21.0378 k = 0.0698 0.5000-0.0000 ( 1862 PWs) bands (ev): -7.1774 -7.1774 -5.9505 -5.9505 -4.2855 -4.2855 -3.7698 -3.7698 -3.6628 -3.6628 -1.3266 -1.3266 -1.2138 -1.2138 -1.1150 -1.1150 5.2717 5.2717 5.2997 5.2997 5.9413 5.9413 6.6685 6.6685 9.3209 9.3209 9.5180 9.5180 10.7315 10.7315 11.1236 11.1236 11.1963 11.1963 13.1120 13.1120 16.0133 16.0133 18.1202 18.1202 19.5994 19.5994 21.0104 21.0104 k = 0.0814 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1682 -7.1682 -5.9457 -5.9457 -4.3088 -4.3088 -3.7684 -3.7684 -3.6555 -3.6555 -1.3230 -1.3230 -1.2135 -1.2135 -1.1138 -1.1138 5.1965 5.1965 5.2563 5.2563 5.9469 5.9469 6.7863 6.7863 9.3083 9.3083 9.5222 9.5222 10.7721 10.7721 11.0916 11.0916 11.1790 11.1790 13.1045 13.1045 16.0590 16.0590 18.1425 18.1425 19.5800 19.5800 20.9788 20.9788 k = 0.0930 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1576 -7.1576 -5.9403 -5.9403 -4.3346 -4.3346 -3.7671 -3.7671 -3.6476 -3.6476 -1.3191 -1.3191 -1.2132 -1.2132 -1.1123 -1.1123 5.0954 5.0954 5.2389 5.2389 5.9532 5.9532 6.9038 6.9038 9.2929 9.2929 9.5295 9.5295 10.8167 10.8167 11.0552 11.0552 11.1600 11.1600 13.0958 13.0958 16.1103 16.1103 18.1683 18.1683 19.5582 19.5582 20.9431 20.9431 k = 0.1047 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1455 -7.1455 -5.9342 -5.9342 -4.3628 -4.3628 -3.7660 -3.7660 -3.6393 -3.6393 -1.3150 -1.3150 -1.2128 -1.2128 -1.1106 -1.1106 4.9965 4.9965 5.2195 5.2195 5.9605 5.9605 7.0208 7.0208 9.2751 9.2751 9.5399 9.5399 10.8648 10.8648 11.0152 11.0152 11.1393 11.1393 13.0862 13.0862 16.1666 16.1666 18.1975 18.1975 19.5346 19.5346 20.9037 20.9037 k = 0.1163 0.5000-0.0000 ( 1862 PWs) bands (ev): -7.1321 -7.1321 -5.9276 -5.9276 -4.3931 -4.3931 -3.7651 -3.7651 -3.6308 -3.6308 -1.3108 -1.3108 -1.2123 -1.2123 -1.1084 -1.1084 4.9001 4.9001 5.1983 5.1983 5.9685 5.9685 7.1370 7.1370 9.2555 9.2555 9.5532 9.5532 10.9157 10.9157 10.9720 10.9720 11.1169 11.1169 13.0756 13.0756 16.2274 16.2274 18.2301 18.2301 19.5092 19.5092 20.8610 20.8610 k = 0.1279 0.5000-0.0000 ( 1862 PWs) bands (ev): -7.1174 -7.1174 -5.9203 -5.9203 -4.4252 -4.4252 -3.7644 -3.7644 -3.6222 -3.6222 -1.3065 -1.3065 -1.2117 -1.2117 -1.1059 -1.1059 4.8061 4.8061 5.1755 5.1755 5.9772 5.9772 7.2521 7.2521 9.2347 9.2347 9.5690 9.5690 10.9263 10.9263 10.9691 10.9691 11.0928 11.0928 13.0641 13.0641 16.2919 16.2919 18.2662 18.2662 19.4826 19.4826 20.8153 20.8153 k = 0.1395 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.1013 -7.1013 -5.9124 -5.9124 -4.4590 -4.4590 -3.7639 -3.7639 -3.6137 -3.6137 -1.3023 -1.3023 -1.2110 -1.2110 -1.1028 -1.1028 4.7147 4.7147 5.1513 5.1513 5.9867 5.9867 7.3659 7.3659 9.2130 9.2130 9.5872 9.5872 10.8788 10.8788 11.0242 11.0242 11.0673 11.0673 13.0517 13.0517 16.3597 16.3597 18.3058 18.3058 19.4550 19.4550 20.7669 20.7669 k = 0.1512 0.5000-0.0000 ( 1858 PWs) bands (ev): -7.0838 -7.0838 -5.9040 -5.9040 -4.4945 -4.4945 -3.7635 -3.7635 -3.6053 -3.6053 -1.2984 -1.2984 -1.2102 -1.2102 -1.0993 -1.0993 4.6260 4.6260 5.1257 5.1257 5.9969 5.9969 7.4779 7.4779 9.1910 9.1910 9.6074 9.6074 10.8298 10.8298 11.0392 11.0392 11.0821 11.0821 13.0384 13.0384 16.4301 16.4301 18.3488 18.3488 19.4270 19.4270 20.7162 20.7162 k = 0.1628 0.5000-0.0000 ( 1860 PWs) bands (ev): -7.0651 -7.0651 -5.8952 -5.8952 -4.5313 -4.5313 -3.7632 -3.7632 -3.5972 -3.5972 -1.2947 -1.2947 -1.2094 -1.2094 -1.0952 -1.0952 4.5401 4.5401 5.0990 5.0990 6.0077 6.0077 7.5878 7.5878 9.1688 9.1688 9.6294 9.6294 10.7800 10.7800 11.0108 11.0108 11.1400 11.1400 13.0245 13.0245 16.5023 16.5023 18.3953 18.3953 19.3989 19.3989 20.6635 20.6635 k = 0.1744 0.5000-0.0000 ( 1860 PWs) bands (ev): -7.0450 -7.0450 -5.8858 -5.8858 -4.5694 -4.5694 -3.7631 -3.7631 -3.5894 -3.5894 -1.2913 -1.2913 -1.2086 -1.2086 -1.0906 -1.0906 4.4570 4.4570 5.0714 5.0714 6.0191 6.0191 7.6953 7.6953 9.1468 9.1468 9.6530 9.6530 10.7300 10.7300 10.9809 10.9809 11.1989 11.1989 13.0099 13.0099 16.5758 16.5758 18.4454 18.4454 19.3712 19.3712 20.6092 20.6092 k = 0.1860 0.5000-0.0000 ( 1856 PWs) bands (ev): -7.0237 -7.0237 -5.8761 -5.8761 -4.6087 -4.6087 -3.7630 -3.7630 -3.5819 -3.5819 -1.2883 -1.2883 -1.2077 -1.2077 -1.0853 -1.0853 4.3768 4.3768 5.0429 5.0429 6.0310 6.0310 7.8000 7.8000 9.1251 9.1251 9.6780 9.6780 10.6802 10.6802 10.9499 10.9499 11.2585 11.2585 12.9947 12.9947 16.6499 16.6499 18.4989 18.4989 19.3443 19.3443 20.5537 20.5537 k = 0.1977 0.5000-0.0000 ( 1856 PWs) bands (ev): -7.0011 -7.0011 -5.8660 -5.8660 -4.6492 -4.6492 -3.7631 -3.7631 -3.5749 -3.5749 -1.2857 -1.2857 -1.2068 -1.2068 -1.0795 -1.0795 4.2996 4.2996 5.0139 5.0139 6.0435 6.0435 7.9016 7.9016 9.1039 9.1039 9.7042 9.7042 10.6312 10.6312 10.9178 10.9178 11.3183 11.3183 12.9789 12.9789 16.7239 16.7239 18.5560 18.5560 19.3188 19.3188 20.4972 20.4972 k = 0.2093 0.5000-0.0000 ( 1850 PWs) bands (ev): -6.9773 -6.9773 -5.8556 -5.8556 -4.6905 -4.6905 -3.7633 -3.7633 -3.5682 -3.5682 -1.2836 -1.2836 -1.2060 -1.2060 -1.0731 -1.0731 4.2254 4.2254 4.9844 4.9844 6.0564 6.0564 7.9995 7.9995 9.0834 9.0834 9.7316 9.7316 10.5834 10.5834 10.8849 10.8849 11.3780 11.3780 12.9628 12.9628 16.7970 16.7970 18.6166 18.6166 19.2953 19.2953 20.4402 20.4402 k = 0.2209 0.5000-0.0000 ( 1850 PWs) bands (ev): -6.9523 -6.9523 -5.8449 -5.8449 -4.7328 -4.7328 -3.7635 -3.7635 -3.5620 -3.5620 -1.2818 -1.2818 -1.2053 -1.2053 -1.0663 -1.0663 4.1542 4.1542 4.9547 4.9547 6.0697 6.0697 8.0933 8.0933 9.0636 9.0636 9.7598 9.7598 10.5375 10.5375 10.8514 10.8514 11.4375 11.4375 12.9463 12.9463 16.8685 16.8685 18.6808 18.6808 19.2740 19.2740 20.3828 20.3828 k = 0.2326 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.9261 -6.9261 -5.8340 -5.8340 -4.7760 -4.7760 -3.7638 -3.7638 -3.5562 -3.5562 -1.2805 -1.2805 -1.2047 -1.2047 -1.0589 -1.0589 4.0861 4.0861 4.9248 4.9248 6.0834 6.0834 8.1826 8.1826 9.0446 9.0446 9.7888 9.7888 10.4940 10.4940 10.8173 10.8173 11.4964 11.4964 12.9295 12.9295 16.9377 16.9377 18.7487 18.7487 19.2558 19.2558 20.3255 20.3255 k = 0.2442 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.8988 -6.8988 -5.8230 -5.8230 -4.8198 -4.8198 -3.7642 -3.7642 -3.5508 -3.5508 -1.2795 -1.2795 -1.2041 -1.2041 -1.0512 -1.0512 4.0211 4.0211 4.8951 4.8951 6.0973 6.0973 8.2668 8.2668 9.0266 9.0266 9.8183 9.8183 10.4532 10.4532 10.7829 10.7829 11.5545 11.5545 12.9125 12.9125 17.0039 17.0039 18.8202 18.8202 19.2409 19.2409 20.2684 20.2684 k = 0.2558 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.8705 -6.8705 -5.8118 -5.8118 -4.8643 -4.8643 -3.7647 -3.7647 -3.5459 -3.5459 -1.2788 -1.2788 -1.2037 -1.2037 -1.0432 -1.0432 3.9593 3.9593 4.8655 4.8655 6.1115 6.1115 8.3455 8.3455 9.0096 9.0096 9.8483 9.8483 10.4157 10.4157 10.7483 10.7483 11.6117 11.6117 12.8955 12.8955 17.0663 17.0663 18.8953 18.8953 19.2299 19.2299 20.2120 20.2120 k = 0.2674 0.5000-0.0000 ( 1856 PWs) bands (ev): -6.8411 -6.8411 -5.8007 -5.8007 -4.9093 -4.9093 -3.7652 -3.7652 -3.5413 -3.5413 -1.2785 -1.2785 -1.2034 -1.2034 -1.0350 -1.0350 3.9005 3.9005 4.8364 4.8364 6.1258 6.1258 8.4181 8.4181 8.9938 8.9938 9.8785 9.8785 10.3820 10.3820 10.7138 10.7138 11.6676 11.6676 12.8784 12.8784 17.1243 17.1243 18.9742 18.9742 19.2232 19.2232 20.1565 20.1565 k = 0.2791 0.5000-0.0000 ( 1856 PWs) bands (ev): -6.8106 -6.8106 -5.7895 -5.7895 -4.9548 -4.9548 -3.7658 -3.7658 -3.5372 -3.5372 -1.2783 -1.2783 -1.2031 -1.2031 -1.0266 -1.0266 3.8449 3.8449 4.8077 4.8077 6.1401 6.1401 8.4840 8.4840 8.9794 8.9794 9.9088 9.9088 10.3524 10.3524 10.6795 10.6795 11.7221 11.7221 12.8615 12.8615 17.1774 17.1774 19.0567 19.0567 19.2213 19.2213 20.1021 20.1021 k = 0.2907 0.5000-0.0000 ( 1854 PWs) bands (ev): -6.7793 -6.7793 -5.7784 -5.7784 -5.0007 -5.0007 -3.7664 -3.7664 -3.5334 -3.5334 -1.2784 -1.2784 -1.2030 -1.2030 -1.0182 -1.0182 3.7924 3.7924 4.7798 4.7798 6.1544 6.1544 8.5427 8.5427 8.9665 8.9665 9.9390 9.9390 10.3272 10.3272 10.6455 10.6455 11.7750 11.7750 12.8448 12.8448 17.2250 17.2250 19.1418 19.1418 19.2254 19.2254 20.0492 20.0492 k = 0.3023 0.5000-0.0000 ( 1858 PWs) bands (ev): -6.7471 -6.7471 -5.7674 -5.7674 -5.0469 -5.0469 -3.7671 -3.7671 -3.5300 -3.5300 -1.2787 -1.2787 -1.2029 -1.2029 -1.0099 -1.0099 3.7430 3.7430 4.7526 4.7526 6.1687 6.1687 8.5938 8.5938 8.9555 8.9555 9.9690 9.9690 10.3068 10.3068 10.6121 10.6121 11.8262 11.8262 12.8284 12.8284 17.2670 17.2670 19.2145 19.2145 19.2504 19.2504 19.9978 19.9978 k = 0.3140 0.5000-0.0000 ( 1866 PWs) bands (ev): -6.7141 -6.7141 -5.7567 -5.7567 -5.0932 -5.0932 -3.7678 -3.7678 -3.5270 -3.5270 -1.2791 -1.2791 -1.2029 -1.2029 -1.0017 -1.0017 3.6967 3.6967 4.7264 4.7264 6.1827 6.1827 8.6368 8.6368 8.9466 8.9466 9.9985 9.9985 10.2912 10.2912 10.5795 10.5795 11.8754 11.8754 12.8123 12.8123 17.3031 17.3031 19.2363 19.2363 19.3348 19.3348 19.9484 19.9484 k = 0.3256 0.5000-0.0000 ( 1870 PWs) bands (ev): -6.6803 -6.6803 -5.7462 -5.7462 -5.1396 -5.1396 -3.7685 -3.7685 -3.5243 -3.5243 -1.2797 -1.2797 -1.2030 -1.2030 -0.9937 -0.9937 3.6535 3.6535 4.7011 4.7011 6.1965 6.1965 8.6714 8.6714 8.9401 8.9401 10.0274 10.0274 10.2805 10.2805 10.5478 10.5478 11.9225 11.9225 12.7968 12.7968 17.3334 17.3334 19.2531 19.2531 19.4323 19.4323 19.9010 19.9010 k = 0.3372 0.5000-0.0000 ( 1870 PWs) bands (ev): -6.6460 -6.6460 -5.7360 -5.7360 -5.1859 -5.1859 -3.7693 -3.7693 -3.5218 -3.5218 -1.2803 -1.2803 -1.2031 -1.2031 -0.9860 -0.9860 3.6133 3.6133 4.6771 4.6771 6.2100 6.2100 8.6976 8.6976 8.9362 8.9362 10.0556 10.0556 10.2743 10.2743 10.5172 10.5172 11.9672 11.9672 12.7818 12.7818 17.3581 17.3581 19.2727 19.2727 19.5346 19.5346 19.8558 19.8558 k = 0.3488 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.6111 -6.6111 -5.7262 -5.7262 -5.2320 -5.2320 -3.7700 -3.7700 -3.5197 -3.5197 -1.2810 -1.2810 -1.2032 -1.2032 -0.9786 -0.9786 3.5761 3.5761 4.6542 4.6542 6.2230 6.2230 8.7160 8.7160 8.9347 8.9347 10.0828 10.0828 10.2725 10.2725 10.4879 10.4879 12.0096 12.0096 12.7675 12.7675 17.3776 17.3776 19.2951 19.2951 19.6409 19.6409 19.8131 19.8131 k = 0.3605 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.5759 -6.5759 -5.7169 -5.7169 -5.2778 -5.2778 -3.7708 -3.7708 -3.5178 -3.5178 -1.2818 -1.2818 -1.2033 -1.2033 -0.9715 -0.9715 3.5418 3.5418 4.6327 4.6327 6.2355 6.2355 8.7276 8.7276 8.9352 8.9352 10.1089 10.1089 10.2744 10.2744 10.4600 10.4600 12.0494 12.0494 12.7539 12.7539 17.3924 17.3924 19.3196 19.3196 19.7508 19.7508 19.7731 19.7731 k = 0.3721 0.5000-0.0000 ( 1856 PWs) bands (ev): -6.5404 -6.5404 -5.7081 -5.7081 -5.3229 -5.3229 -3.7715 -3.7715 -3.5161 -3.5161 -1.2826 -1.2826 -1.2035 -1.2035 -0.9649 -0.9649 3.5106 3.5106 4.6127 4.6127 6.2474 6.2474 8.7336 8.7336 8.9367 8.9367 10.1336 10.1336 10.2795 10.2795 10.4338 10.4338 12.0865 12.0865 12.7411 12.7411 17.4031 17.4031 19.3456 19.3456 19.7356 19.7356 19.8640 19.8640 k = 0.3837 0.5000-0.0000 ( 1860 PWs) bands (ev): -6.5050 -6.5050 -5.6998 -5.6998 -5.3673 -5.3673 -3.7722 -3.7722 -3.5147 -3.5147 -1.2834 -1.2834 -1.2036 -1.2036 -0.9588 -0.9588 3.4821 3.4821 4.5941 4.5941 6.2586 6.2586 8.7355 8.7355 8.9387 8.9387 10.1568 10.1568 10.2870 10.2870 10.4094 10.4094 12.1207 12.1207 12.7292 12.7292 17.4102 17.4102 19.3724 19.3724 19.7011 19.7011 19.9799 19.9799 k = 0.3953 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.4699 -6.4699 -5.6921 -5.6921 -5.4107 -5.4107 -3.7729 -3.7729 -3.5135 -3.5135 -1.2842 -1.2842 -1.2038 -1.2038 -0.9531 -0.9531 3.4566 3.4566 4.5771 4.5771 6.2690 6.2690 8.7348 8.7348 8.9404 8.9404 10.1782 10.1782 10.2963 10.2963 10.3871 10.3871 12.1520 12.1520 12.7183 12.7183 17.4145 17.4145 19.3991 19.3991 19.6696 19.6696 20.0979 20.0979 k = 0.4070 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.4353 -6.4353 -5.6851 -5.6851 -5.4526 -5.4526 -3.7735 -3.7735 -3.5124 -3.5124 -1.2849 -1.2849 -1.2039 -1.2039 -0.9480 -0.9480 3.4339 3.4339 4.5617 4.5617 6.2785 6.2785 8.7323 8.7323 8.9416 8.9416 10.1976 10.1976 10.3066 10.3066 10.3671 10.3671 12.1803 12.1803 12.7084 12.7084 17.4165 17.4165 19.4250 19.4250 19.6412 19.6412 20.2172 20.2172 k = 0.4186 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.4017 -6.4017 -5.6788 -5.6788 -5.4927 -5.4927 -3.7741 -3.7741 -3.5115 -3.5115 -1.2856 -1.2856 -1.2041 -1.2041 -0.9434 -0.9434 3.4139 3.4139 4.5480 4.5480 6.2872 6.2872 8.7289 8.7289 8.9422 8.9422 10.2148 10.2148 10.3171 10.3171 10.3497 10.3497 12.2054 12.2054 12.6996 12.6996 17.4169 17.4169 19.4495 19.4495 19.6160 19.6160 20.3368 20.3368 k = 0.4302 0.5000-0.0000 ( 1862 PWs) bands (ev): -6.3697 -6.3697 -5.6733 -5.6733 -5.5304 -5.5304 -3.7747 -3.7747 -3.5108 -3.5108 -1.2863 -1.2863 -1.2042 -1.2042 -0.9394 -0.9394 3.3967 3.3967 4.5360 4.5360 6.2948 6.2948 8.7251 8.7251 8.9423 8.9423 10.2293 10.2293 10.3250 10.3250 10.3374 10.3374 12.2273 12.2273 12.6919 12.6919 17.4161 17.4161 19.4718 19.4718 19.5941 19.5941 20.4550 20.4550 k = 0.4419 0.5000-0.0000 ( 1866 PWs) bands (ev): -6.3399 -6.3399 -5.6685 -5.6685 -5.5650 -5.5650 -3.7751 -3.7751 -3.5102 -3.5102 -1.2869 -1.2869 -1.2043 -1.2043 -0.9359 -0.9359 3.3822 3.3822 4.5258 4.5258 6.3014 6.3014 8.7214 8.7214 8.9419 8.9419 10.2410 10.2410 10.3198 10.3198 10.3406 10.3406 12.2459 12.2459 12.6853 12.6853 17.4147 17.4147 19.4915 19.4915 19.5756 19.5756 20.5697 20.5697 k = 0.4535 0.5000-0.0000 ( 1866 PWs) bands (ev): -6.3132 -6.3132 -5.6646 -5.6646 -5.5957 -5.5957 -3.7755 -3.7755 -3.5097 -3.5097 -1.2873 -1.2873 -1.2044 -1.2044 -0.9331 -0.9331 3.3704 3.3704 4.5174 4.5174 6.3068 6.3068 8.7180 8.7180 8.9413 8.9413 10.2493 10.2493 10.3119 10.3119 10.3487 10.3487 12.2612 12.2612 12.6799 12.6799 17.4129 17.4129 19.5078 19.5078 19.5608 19.5608 20.6776 20.6776 k = 0.4651 0.5000-0.0000 ( 1866 PWs) bands (ev): -6.2906 -6.2906 -5.6615 -5.6615 -5.6214 -5.6214 -3.7758 -3.7758 -3.5094 -3.5094 -1.2877 -1.2877 -1.2044 -1.2044 -0.9309 -0.9309 3.3612 3.3612 4.5109 4.5109 6.3111 6.3111 8.7152 8.7152 8.9407 8.9407 10.2543 10.2543 10.3070 10.3070 10.3557 10.3557 12.2731 12.2731 12.6757 12.6757 17.4113 17.4113 19.5199 19.5199 19.5502 19.5502 20.7743 20.7743 k = 0.4767 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.2732 -6.2732 -5.6592 -5.6592 -5.6410 -5.6410 -3.7761 -3.7761 -3.5091 -3.5091 -1.2880 -1.2880 -1.2045 -1.2045 -0.9293 -0.9293 3.3547 3.3547 4.5062 4.5062 6.3142 6.3142 8.7130 8.7130 8.9401 8.9401 10.2563 10.2563 10.3048 10.3048 10.3611 10.3611 12.2817 12.2817 12.6727 12.6727 17.4099 17.4099 19.5261 19.5261 19.5453 19.5453 20.8531 20.8531 k = 0.4884 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.2622 -6.2622 -5.6579 -5.6579 -5.6532 -5.6532 -3.7762 -3.7762 -3.5090 -3.5090 -1.2882 -1.2882 -1.2045 -1.2045 -0.9284 -0.9284 3.3507 3.3507 4.5034 4.5034 6.3161 6.3161 8.7117 8.7117 8.9398 8.9398 10.2568 10.2568 10.3043 10.3043 10.3644 10.3644 12.2868 12.2868 12.6709 12.6709 17.4090 17.4090 19.5266 19.5266 19.5458 19.5458 20.9057 20.9057 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.2585 -6.2585 -5.6579 -5.6579 -5.6570 -5.6570 -3.7762 -3.7762 -3.5089 -3.5089 -1.2882 -1.2882 -1.2045 -1.2045 -0.9281 -0.9281 3.3494 3.3494 4.5024 4.5024 6.3167 6.3167 8.7113 8.7113 8.9396 8.9396 10.2568 10.2568 10.3043 10.3043 10.3655 10.3655 12.2885 12.2885 12.6703 12.6703 17.4087 17.4087 19.5260 19.5260 19.5466 19.5466 20.9243 20.9243 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.2585 -6.2585 -5.6579 -5.6579 -5.6570 -5.6570 -3.7762 -3.7762 -3.5089 -3.5089 -1.2882 -1.2882 -1.2045 -1.2045 -0.9281 -0.9281 3.3494 3.3494 4.5024 4.5024 6.3167 6.3167 8.7113 8.7113 8.9396 8.9396 10.2568 10.2568 10.3043 10.3043 10.3655 10.3655 12.2885 12.2885 12.6703 12.6703 17.4087 17.4087 19.5260 19.5260 19.5466 19.5466 20.9243 20.9243 k = 0.4918 0.4918-0.0000 ( 1852 PWs) bands (ev): -6.2622 -6.2622 -5.6569 -5.6569 -5.6543 -5.6543 -3.7762 -3.7762 -3.5090 -3.5090 -1.2882 -1.2882 -1.2045 -1.2045 -0.9284 -0.9284 3.3507 3.3507 4.5033 4.5033 6.3161 6.3161 8.7117 8.7117 8.9398 8.9398 10.2568 10.2568 10.3043 10.3043 10.3644 10.3644 12.2868 12.2868 12.6709 12.6709 17.4090 17.4090 19.5266 19.5266 19.5457 19.5457 20.9057 20.9057 k = 0.4836 0.4836-0.0000 ( 1852 PWs) bands (ev): -6.2732 -6.2732 -5.6549 -5.6549 -5.6453 -5.6453 -3.7761 -3.7761 -3.5091 -3.5091 -1.2880 -1.2880 -1.2045 -1.2045 -0.9293 -0.9293 3.3546 3.3546 4.5062 4.5062 6.3142 6.3142 8.7128 8.7128 8.9403 8.9403 10.2569 10.2569 10.3043 10.3043 10.3611 10.3611 12.2817 12.2817 12.6727 12.6727 17.4099 17.4099 19.5272 19.5272 19.5443 19.5443 20.8528 20.8528 k = 0.4754 0.4754-0.0000 ( 1862 PWs) bands (ev): -6.2909 -6.2909 -5.6517 -5.6517 -5.6308 -5.6308 -3.7758 -3.7758 -3.5094 -3.5094 -1.2877 -1.2877 -1.2044 -1.2044 -0.9309 -0.9309 3.3610 3.3610 4.5110 4.5110 6.3111 6.3111 8.7141 8.7141 8.9417 8.9417 10.2569 10.2569 10.3044 10.3044 10.3558 10.3558 12.2733 12.2733 12.6756 12.6756 17.4113 17.4113 19.5235 19.5235 19.5467 19.5467 20.7722 20.7722 k = 0.4672 0.4672-0.0000 ( 1876 PWs) bands (ev): -6.3145 -6.3145 -5.6472 -5.6472 -5.6117 -5.6117 -3.7755 -3.7755 -3.5097 -3.5097 -1.2874 -1.2874 -1.2044 -1.2044 -0.9331 -0.9331 3.3697 3.3697 4.5180 4.5180 6.3067 6.3067 8.7146 8.7146 8.9446 8.9446 10.2567 10.2567 10.3048 10.3048 10.3486 10.3486 12.2617 12.2617 12.6795 12.6795 17.4132 17.4132 19.5144 19.5144 19.5544 19.5544 20.6710 20.6710 k = 0.4590 0.4590-0.0000 ( 1864 PWs) bands (ev): -6.3429 -6.3429 -5.6415 -5.6415 -5.5890 -5.5890 -3.7751 -3.7751 -3.5101 -3.5101 -1.2869 -1.2869 -1.2043 -1.2043 -0.9358 -0.9358 3.3807 3.3807 4.5272 4.5272 6.3011 6.3011 8.7133 8.7133 8.9498 8.9498 10.2562 10.2562 10.3054 10.3054 10.3399 10.3399 12.2470 12.2470 12.6845 12.6845 17.4153 17.4153 19.5018 19.5018 19.5660 19.5660 20.5554 20.5554 k = 0.4508 0.4508-0.0000 ( 1856 PWs) bands (ev): -6.3755 -6.3755 -5.6346 -5.6346 -5.5632 -5.5632 -3.7746 -3.7746 -3.5107 -3.5107 -1.2863 -1.2863 -1.2041 -1.2041 -0.9391 -0.9391 3.3937 3.3937 4.5390 4.5390 6.2942 6.2942 8.7087 8.7087 8.9584 8.9584 10.2552 10.2552 10.3066 10.3066 10.3301 10.3301 12.2294 12.2294 12.6903 12.6903 17.4175 17.4175 19.4866 19.4866 19.5807 19.5807 20.4296 20.4296 k = 0.4426 0.4426-0.0000 ( 1856 PWs) bands (ev): -6.4114 -6.4114 -5.6264 -5.6264 -5.5353 -5.5353 -3.7741 -3.7741 -3.5113 -3.5113 -1.2857 -1.2857 -1.2039 -1.2039 -0.9430 -0.9430 3.4086 3.4086 4.5536 4.5536 6.2860 6.2860 8.6997 8.6997 8.9710 8.9710 10.2535 10.2535 10.3083 10.3083 10.3197 10.3197 12.2090 12.2090 12.6967 12.6967 17.4195 17.4195 19.4697 19.4697 19.5983 19.5983 20.2964 20.2964 k = 0.4344 0.4344-0.0000 ( 1864 PWs) bands (ev): -6.4501 -6.4501 -5.6169 -5.6169 -5.5056 -5.5056 -3.7735 -3.7735 -3.5120 -3.5120 -1.2850 -1.2850 -1.2037 -1.2037 -0.9474 -0.9474 3.4251 3.4251 4.5713 4.5713 6.2764 6.2764 8.6854 8.6854 8.9882 8.9882 10.2507 10.2507 10.3094 10.3094 10.3108 10.3108 12.1861 12.1861 12.7036 12.7036 17.4211 17.4211 19.4518 19.4518 19.6186 19.6186 20.1579 20.1579 k = 0.4262 0.4262-0.0000 ( 1868 PWs) bands (ev): -6.4911 -6.4911 -5.6063 -5.6063 -5.4747 -5.4747 -3.7728 -3.7728 -3.5128 -3.5128 -1.2842 -1.2842 -1.2034 -1.2034 -0.9522 -0.9522 3.4429 3.4429 4.5924 4.5924 6.2656 6.2656 8.6651 8.6651 9.0100 9.0100 10.2465 10.2465 10.3000 10.3000 10.3140 10.3140 12.1608 12.1608 12.7107 12.7107 17.4222 17.4222 19.4334 19.4334 19.6416 19.6416 20.0157 20.0157 k = 0.4180 0.4180-0.0000 ( 1860 PWs) bands (ev): -6.5340 -6.5340 -5.5945 -5.5945 -5.4429 -5.4429 -3.7720 -3.7720 -3.5137 -3.5137 -1.2834 -1.2834 -1.2030 -1.2030 -0.9575 -0.9575 3.4617 3.4617 4.6172 4.6172 6.2534 6.2534 8.6388 8.6388 9.0361 9.0361 10.2407 10.2407 10.2921 10.2921 10.3181 10.3181 12.1334 12.1334 12.7177 12.7177 17.4225 17.4225 19.4152 19.4152 19.6673 19.6673 19.8709 19.8709 k = 0.4098 0.4098-0.0000 ( 1858 PWs) bands (ev): -6.5785 -6.5785 -5.5815 -5.5815 -5.4104 -5.4104 -3.7712 -3.7712 -3.5147 -3.5147 -1.2826 -1.2826 -1.2026 -1.2026 -0.9631 -0.9631 3.4813 3.4813 4.6460 4.6460 6.2398 6.2398 8.6064 8.6064 9.0659 9.0659 10.2333 10.2333 10.2863 10.2863 10.3228 10.3228 12.1041 12.1041 12.7242 12.7242 17.4218 17.4218 19.3977 19.3977 19.6949 19.6949 19.7252 19.7252 k = 0.4016 0.4016-0.0000 ( 1862 PWs) bands (ev): -6.6243 -6.6243 -5.5674 -5.5674 -5.3775 -5.3775 -3.7703 -3.7703 -3.5157 -3.5157 -1.2817 -1.2817 -1.2021 -1.2021 -0.9691 -0.9691 3.5014 3.5014 4.6792 4.6792 6.2249 6.2249 8.5680 8.5680 9.0991 9.0991 10.2251 10.2251 10.2824 10.2824 10.3283 10.3283 12.0732 12.0732 12.7299 12.7299 17.4201 17.4201 19.3808 19.3808 19.5773 19.5773 19.7272 19.7272 k = 0.3934 0.3934-0.0000 ( 1860 PWs) bands (ev): -6.6712 -6.6712 -5.5522 -5.5522 -5.3443 -5.3443 -3.7694 -3.7694 -3.5168 -3.5168 -1.2809 -1.2809 -1.2014 -1.2014 -0.9753 -0.9753 3.5218 3.5218 4.7169 4.7169 6.2085 6.2085 8.5235 8.5235 9.1350 9.1350 10.2166 10.2166 10.2802 10.2802 10.3345 10.3345 12.0407 12.0407 12.7344 12.7344 17.4174 17.4174 19.3577 19.3577 19.4383 19.4383 19.7608 19.7608 k = 0.3852 0.3852-0.0000 ( 1859 PWs) bands (ev): -6.7190 -6.7190 -5.5359 -5.5359 -5.3109 -5.3109 -3.7684 -3.7684 -3.5180 -3.5180 -1.2801 -1.2801 -1.2007 -1.2007 -0.9818 -0.9818 3.5423 3.5423 4.7594 4.7594 6.1908 6.1908 8.4733 8.4733 9.1733 9.1733 10.2087 10.2087 10.2794 10.2794 10.3414 10.3414 12.0070 12.0070 12.7372 12.7372 17.4138 17.4138 19.2611 19.2611 19.3751 19.3751 19.7970 19.7970 k = 0.3770 0.3770-0.0000 ( 1863 PWs) bands (ev): -6.7675 -6.7675 -5.5186 -5.5186 -5.2774 -5.2774 -3.7673 -3.7673 -3.5192 -3.5192 -1.2793 -1.2793 -1.1999 -1.1999 -0.9884 -0.9884 3.5628 3.5628 4.8068 4.8068 6.1718 6.1718 8.4173 8.4173 9.2135 9.2135 10.2019 10.2019 10.2799 10.2799 10.3488 10.3488 11.9722 11.9722 12.7378 12.7378 17.4095 17.4095 19.1158 19.1158 19.3639 19.3639 19.8359 19.8359 k = 0.3689 0.3689-0.0000 ( 1859 PWs) bands (ev): -6.8166 -6.8166 -5.5002 -5.5002 -5.2440 -5.2440 -3.7662 -3.7662 -3.5204 -3.5204 -1.2786 -1.2786 -1.1989 -1.1989 -0.9952 -0.9952 3.5832 3.5832 4.8591 4.8591 6.1513 6.1513 8.3557 8.3557 9.2553 9.2553 10.1965 10.1965 10.2816 10.2816 10.3569 10.3569 11.9365 11.9365 12.7357 12.7357 17.4050 17.4050 18.9662 18.9662 19.3610 19.3610 19.8773 19.8773 k = 0.3607 0.3607-0.0000 ( 1859 PWs) bands (ev): -6.8662 -6.8662 -5.4809 -5.4809 -5.2108 -5.2108 -3.7650 -3.7650 -3.5217 -3.5217 -1.2778 -1.2778 -1.1978 -1.1978 -1.0019 -1.0019 3.6034 3.6034 4.9164 4.9164 6.1295 6.1295 8.2889 8.2889 9.2983 9.2983 10.1927 10.1927 10.2844 10.2844 10.3654 10.3654 11.9001 11.9001 12.7302 12.7302 17.4007 17.4007 18.8158 18.8158 19.3634 19.3634 19.9213 19.9213 k = 0.3525 0.3525-0.0000 ( 1859 PWs) bands (ev): -6.9160 -6.9160 -5.4606 -5.4606 -5.1777 -5.1777 -3.7637 -3.7637 -3.5229 -3.5229 -1.2772 -1.2772 -1.1965 -1.1965 -1.0087 -1.0087 3.6234 3.6234 4.9786 4.9786 6.1063 6.1063 8.2170 8.2170 9.3422 9.3422 10.1908 10.1908 10.2884 10.2884 10.3745 10.3745 11.8630 11.8630 12.7208 12.7208 17.3974 17.3974 18.6652 18.6652 19.3708 19.3708 19.9677 19.9677 k = 0.3443 0.3443-0.0000 ( 1869 PWs) bands (ev): -6.9661 -6.9661 -5.4395 -5.4395 -5.1450 -5.1450 -3.7624 -3.7624 -3.5241 -3.5241 -1.2765 -1.2765 -1.1952 -1.1952 -1.0154 -1.0154 3.6434 3.6434 5.0456 5.0456 6.0819 6.0819 8.1404 8.1404 9.3867 9.3867 10.1906 10.1906 10.2936 10.2936 10.3840 10.3840 11.8255 11.8255 12.7069 12.7069 17.3958 17.3958 18.5147 18.5147 19.3832 19.3832 20.0164 20.0164 k = 0.3361 0.3361-0.0000 ( 1865 PWs) bands (ev): -7.0163 -7.0163 -5.4175 -5.4175 -5.1126 -5.1126 -3.7609 -3.7609 -3.5253 -3.5253 -1.2758 -1.2758 -1.1937 -1.1937 -1.0220 -1.0220 3.6634 3.6634 5.1172 5.1172 6.0562 6.0562 8.0594 8.0594 9.4316 9.4316 10.1924 10.1924 10.3001 10.3001 10.3939 10.3939 11.7876 11.7876 12.6881 12.6881 17.3967 17.3967 18.3646 18.3646 19.4007 19.4007 20.0676 20.0676 k = 0.3279 0.3279-0.0000 ( 1865 PWs) bands (ev): -7.0665 -7.0665 -5.3947 -5.3947 -5.0806 -5.0806 -3.7593 -3.7593 -3.5264 -3.5264 -1.2751 -1.2751 -1.1920 -1.1920 -1.0284 -1.0284 3.6834 3.6834 5.1932 5.1932 6.0292 6.0292 7.9743 7.9743 9.4767 9.4767 10.1959 10.1959 10.3077 10.3077 10.4043 10.4043 11.7496 11.7496 12.6637 12.6637 17.4009 17.4009 18.2149 18.2149 19.4231 19.4231 20.1210 20.1210 k = 0.3197 0.3197-0.0000 ( 1865 PWs) bands (ev): -7.1165 -7.1165 -5.3711 -5.3711 -5.0491 -5.0491 -3.7576 -3.7576 -3.5274 -3.5274 -1.2744 -1.2744 -1.1903 -1.1903 -1.0346 -1.0346 3.7037 3.7037 5.2733 5.2733 6.0011 6.0011 7.8857 7.8857 9.5218 9.5218 10.2011 10.2011 10.3167 10.3167 10.4151 10.4151 11.7113 11.7113 12.6334 12.6334 17.4093 17.4093 18.0657 18.0657 19.4504 19.4504 20.1767 20.1767 k = 0.3115 0.3115-0.0000 ( 1865 PWs) bands (ev): -7.1664 -7.1664 -5.3469 -5.3469 -5.0183 -5.0183 -3.7556 -3.7556 -3.5284 -3.5284 -1.2737 -1.2737 -1.1884 -1.1884 -1.0406 -1.0406 3.7244 3.7244 5.3573 5.3573 5.9719 5.9719 7.7938 7.7938 9.5667 9.5667 10.2079 10.2079 10.3268 10.3268 10.4262 10.4262 11.6731 11.6731 12.5969 12.5969 17.4226 17.4226 17.9171 17.9171 19.4825 19.4825 20.2345 20.2345 k = 0.3033 0.3033-0.0000 ( 1861 PWs) bands (ev): -7.2160 -7.2160 -5.3221 -5.3221 -4.9881 -4.9881 -3.7535 -3.7535 -3.5292 -3.5292 -1.2728 -1.2728 -1.1864 -1.1864 -1.0462 -1.0462 3.7457 3.7457 5.4448 5.4448 5.9417 5.9417 7.6990 7.6990 9.6112 9.6112 10.2163 10.2163 10.3381 10.3381 10.4376 10.4376 11.6349 11.6349 12.5539 12.5539 17.4412 17.4412 17.7693 17.7693 19.5192 19.5192 20.2943 20.2943 k = 0.2951 0.2951-0.0000 ( 1863 PWs) bands (ev): -7.2652 -7.2652 -5.2966 -5.2966 -4.9586 -4.9586 -3.7511 -3.7511 -3.5298 -3.5298 -1.2719 -1.2719 -1.1842 -1.1842 -1.0515 -1.0515 3.7676 3.7676 5.5355 5.5355 5.9106 5.9106 7.6018 7.6018 9.6552 9.6552 10.2260 10.2260 10.3506 10.3506 10.4493 10.4493 11.5969 11.5969 12.5043 12.5043 17.4643 17.4643 17.6238 17.6238 19.5605 19.5605 20.3562 20.3562 k = 0.2869 0.2869-0.0000 ( 1859 PWs) bands (ev): -7.3140 -7.3140 -5.2707 -5.2707 -4.9300 -4.9300 -3.7483 -3.7483 -3.5303 -3.5303 -1.2707 -1.2707 -1.1820 -1.1820 -1.0565 -1.0565 3.7903 3.7903 5.6291 5.6291 5.8787 5.8787 7.5026 7.5026 9.6986 9.6986 10.2369 10.2369 10.3641 10.3641 10.4613 10.4613 11.5591 11.5591 12.4482 12.4482 17.4559 17.4559 17.5171 17.5171 19.6063 19.6063 20.4199 20.4199 k = 0.2787 0.2787-0.0000 ( 1863 PWs) bands (ev): -7.3622 -7.3622 -5.2443 -5.2443 -4.9023 -4.9023 -3.7453 -3.7453 -3.5306 -3.5306 -1.2694 -1.2694 -1.1796 -1.1796 -1.0611 -1.0611 3.8139 3.8139 5.7246 5.7246 5.8466 5.8466 7.4018 7.4018 9.7412 9.7412 10.2491 10.2491 10.3787 10.3787 10.4736 10.4736 11.5216 11.5216 12.3858 12.3858 17.3215 17.3215 17.5437 17.5437 19.6565 19.6565 20.4854 20.4854 k = 0.2705 0.2705-0.0000 ( 1865 PWs) bands (ev): -7.4098 -7.4098 -5.2176 -5.2176 -4.8757 -4.8757 -3.7418 -3.7418 -3.5307 -3.5307 -1.2678 -1.2678 -1.1772 -1.1772 -1.0653 -1.0653 3.8385 3.8385 5.8031 5.8031 5.8330 5.8330 7.2996 7.2996 9.7830 9.7830 10.2623 10.2623 10.3942 10.3942 10.4860 10.4860 11.4845 11.4845 12.3173 12.3173 17.1766 17.1766 17.5885 17.5885 19.7109 19.7109 20.5526 20.5526 k = 0.2623 0.2623-0.0000 ( 1865 PWs) bands (ev): -7.4567 -7.4567 -5.1906 -5.1906 -4.8501 -4.8501 -3.7378 -3.7378 -3.5306 -3.5306 -1.2660 -1.2660 -1.1747 -1.1747 -1.0692 -1.0692 3.8643 3.8643 5.7761 5.7761 5.9261 5.9261 7.1965 7.1965 9.8239 9.8239 10.2764 10.2764 10.4105 10.4105 10.4986 10.4986 11.4478 11.4478 12.2432 12.2432 17.0314 17.0314 17.6412 17.6412 19.7696 19.7696 20.6214 20.6214 k = 0.2541 0.2541-0.0000 ( 1865 PWs) bands (ev): -7.5029 -7.5029 -5.1633 -5.1633 -4.8257 -4.8257 -3.7334 -3.7334 -3.5303 -3.5303 -1.2638 -1.2638 -1.1721 -1.1721 -1.0726 -1.0726 3.8913 3.8913 5.7421 5.7421 6.0273 6.0273 7.0929 7.0929 9.8638 9.8638 10.2914 10.2914 10.4275 10.4275 10.5113 10.5113 11.4116 11.4116 12.1642 12.1642 16.8864 16.8864 17.7010 17.7010 19.8324 19.8324 20.6918 20.6918 k = 0.2459 0.2459-0.0000 ( 1865 PWs) bands (ev): -7.5482 -7.5482 -5.1360 -5.1360 -4.8026 -4.8026 -3.7284 -3.7284 -3.5298 -3.5298 -1.2613 -1.2613 -1.1694 -1.1694 -1.0757 -1.0757 3.9196 3.9196 5.7073 5.7073 6.1298 6.1298 6.9890 6.9890 9.9026 9.9026 10.3071 10.3071 10.4452 10.4452 10.5242 10.5242 11.3759 11.3759 12.0808 12.0808 16.7418 16.7418 17.7674 17.7674 19.8994 19.8994 20.7637 20.7637 k = 0.2377 0.2377-0.0000 ( 1865 PWs) bands (ev): -7.5927 -7.5927 -5.1085 -5.1085 -4.7808 -4.7808 -3.7229 -3.7229 -3.5290 -3.5290 -1.2584 -1.2584 -1.1667 -1.1667 -1.0784 -1.0784 3.9493 3.9493 5.6721 5.6721 6.2330 6.2330 6.8852 6.8852 9.9402 9.9402 10.3235 10.3235 10.4634 10.4634 10.5371 10.5371 11.3408 11.3408 11.9938 11.9938 16.5978 16.5978 17.8400 17.8400 19.9706 19.9706 20.8369 20.8369 k = 0.2295 0.2295-0.0000 ( 1865 PWs) bands (ev): -7.6362 -7.6362 -5.0811 -5.0811 -4.7603 -4.7603 -3.7167 -3.7167 -3.5280 -3.5280 -1.2551 -1.2551 -1.1639 -1.1639 -1.0808 -1.0808 3.9804 3.9804 5.6368 5.6368 6.3364 6.3364 6.7818 6.7818 9.9767 9.9767 10.3404 10.3404 10.4819 10.4819 10.5501 10.5501 11.3064 11.3064 11.9040 11.9040 16.4544 16.4544 17.9183 17.9183 20.0459 20.0459 20.9115 20.9115 k = 0.2213 0.2213-0.0000 ( 1873 PWs) bands (ev): -7.6787 -7.6787 -5.0537 -5.0537 -4.7413 -4.7413 -3.7098 -3.7098 -3.5268 -3.5268 -1.2514 -1.2514 -1.1610 -1.1610 -1.0828 -1.0828 4.0129 4.0129 5.6014 5.6014 6.4393 6.4393 6.6791 6.6791 10.0119 10.0119 10.3578 10.3578 10.5008 10.5008 10.5631 10.5631 11.2727 11.2727 11.8122 11.8122 16.3117 16.3117 18.0017 18.0017 20.1254 20.1254 20.9873 20.9873 k = 0.2131 0.2131-0.0000 ( 1869 PWs) bands (ev): -7.7201 -7.7201 -5.0266 -5.0266 -4.7238 -4.7238 -3.7023 -3.7023 -3.5254 -3.5254 -1.2473 -1.2473 -1.1581 -1.1581 -1.0845 -1.0845 4.0469 4.0469 5.5660 5.5660 6.5411 6.5411 6.5776 6.5776 10.0458 10.0458 10.3755 10.3755 10.5198 10.5198 10.5760 10.5760 11.2397 11.2397 11.7196 11.7196 16.1697 16.1697 18.0897 18.0897 20.2090 20.2090 21.0643 21.0643 k = 0.2049 0.2049-0.0000 ( 1865 PWs) bands (ev): -7.7603 -7.7603 -4.9997 -4.9997 -4.7077 -4.7077 -3.6941 -3.6941 -3.5237 -3.5237 -1.2428 -1.2428 -1.1551 -1.1551 -1.0859 -1.0859 4.0823 4.0823 5.5309 5.5309 6.4768 6.4768 6.6420 6.6420 10.0783 10.0783 10.3935 10.3935 10.5389 10.5389 10.5889 10.5889 11.2076 11.2076 11.6270 11.6270 16.0285 16.0285 18.1816 18.1816 20.2968 20.2968 21.1425 21.1425 k = 0.1967 0.1967-0.0000 ( 1863 PWs) bands (ev): -7.7994 -7.7994 -4.9731 -4.9731 -4.6930 -4.6930 -3.6853 -3.6853 -3.5219 -3.5219 -1.2379 -1.2379 -1.1521 -1.1521 -1.0869 -1.0869 4.1192 4.1192 5.4960 5.4960 6.3780 6.3780 6.7404 6.7404 10.1094 10.1094 10.4117 10.4117 10.5580 10.5580 10.6017 10.6017 11.1763 11.1763 11.5355 11.5355 15.8882 15.8882 18.2768 18.2768 20.3886 20.3886 21.2217 21.2217 k = 0.1885 0.1885-0.0000 ( 1863 PWs) bands (ev): -7.8373 -7.8373 -4.9470 -4.9470 -4.6799 -4.6799 -3.6758 -3.6758 -3.5199 -3.5199 -1.2325 -1.2325 -1.1491 -1.1491 -1.0877 -1.0877 4.1575 4.1575 5.4616 5.4616 6.2809 6.2809 6.8361 6.8361 10.1390 10.1390 10.4300 10.4300 10.5770 10.5770 10.6143 10.6143 11.1458 11.1458 11.4460 11.4460 15.7489 15.7489 18.3747 18.3747 20.4846 20.4846 21.3019 21.3019 k = 0.1803 0.1803-0.0000 ( 1863 PWs) bands (ev): -7.8739 -7.8739 -4.9214 -4.9214 -4.6681 -4.6681 -3.6657 -3.6657 -3.5177 -3.5177 -1.2269 -1.2269 -1.1460 -1.1460 -1.0883 -1.0883 4.1972 4.1972 5.4277 5.4277 6.1859 6.1859 6.9282 6.9282 10.1670 10.1670 10.4482 10.4482 10.5957 10.5957 10.6268 10.6268 11.1162 11.1162 11.3599 11.3599 15.6106 15.6106 18.4747 18.4747 20.5845 20.5845 21.3831 21.3831 k = 0.1721 0.1721-0.0000 ( 1863 PWs) bands (ev): -7.9091 -7.9091 -4.8964 -4.8964 -4.6578 -4.6578 -3.6550 -3.6550 -3.5153 -3.5153 -1.2209 -1.2209 -1.1428 -1.1428 -1.0886 -1.0886 4.2383 4.2383 5.3944 5.3944 6.0932 6.0932 7.0160 7.0160 10.1934 10.1934 10.4664 10.4664 10.6141 10.6141 10.6391 10.6391 11.0875 11.0875 11.2781 11.2781 15.4736 15.4736 18.5761 18.5761 20.6883 20.6883 21.4651 21.4651 k = 0.1639 0.1639-0.0000 ( 1863 PWs) bands (ev): -7.9430 -7.9430 -4.8721 -4.8721 -4.6487 -4.6487 -3.6439 -3.6439 -3.5128 -3.5128 -1.2146 -1.2146 -1.1396 -1.1396 -1.0887 -1.0887 4.2805 4.2805 5.3618 5.3618 6.0031 6.0031 7.0988 7.0988 10.2184 10.2184 10.4845 10.4845 10.6321 10.6321 10.6513 10.6513 11.0594 11.0594 11.2018 11.2018 15.3378 15.3378 18.6785 18.6785 20.7958 20.7958 21.5480 21.5480 k = 0.1557 0.1557-0.0000 ( 1859 PWs) bands (ev): -7.9755 -7.9755 -4.8485 -4.8485 -4.6409 -4.6409 -3.6324 -3.6324 -3.5102 -3.5102 -1.2082 -1.2082 -1.1363 -1.1363 -1.0887 -1.0887 4.3239 4.3239 5.3301 5.3301 5.9159 5.9159 7.1758 7.1758 10.2418 10.2418 10.5023 10.5023 10.6495 10.6495 10.6633 10.6633 11.0318 11.0318 11.1324 11.1324 15.2036 15.2036 18.7813 18.7813 20.9069 20.9069 21.6316 21.6316 k = 0.1475 0.1475-0.0000 ( 1859 PWs) bands (ev): -8.0065 -8.0065 -4.8257 -4.8257 -4.6343 -4.6343 -3.6206 -3.6206 -3.5075 -3.5075 -1.2016 -1.2016 -1.1330 -1.1330 -1.0884 -1.0884 4.3682 4.3682 5.2994 5.2994 5.8317 5.8317 7.2460 7.2460 10.2638 10.2638 10.5199 10.5199 10.6658 10.6658 10.6754 10.6754 11.0040 11.0040 11.0715 11.0715 15.0711 15.0711 18.8838 18.8838 21.0212 21.0212 21.7158 21.7158 k = 0.1393 0.1393-0.0000 ( 1855 PWs) bands (ev): -8.0361 -8.0361 -4.8038 -4.8038 -4.6287 -4.6287 -3.6086 -3.6086 -3.5047 -3.5047 -1.1950 -1.1950 -1.1296 -1.1296 -1.0880 -1.0880 4.4134 4.4134 5.2696 5.2696 5.7508 5.7508 7.3087 7.3087 10.2848 10.2848 10.5373 10.5373 10.6805 10.6805 10.6882 10.6882 10.9741 10.9741 11.0215 11.0215 14.9405 14.9405 18.9857 18.9857 21.1385 21.1385 21.8005 21.8005 k = 0.1311 0.1311-0.0000 ( 1855 PWs) bands (ev): -8.0641 -8.0641 -4.7829 -4.7829 -4.6242 -4.6242 -3.5965 -3.5965 -3.5019 -3.5019 -1.1885 -1.1885 -1.1261 -1.1261 -1.0874 -1.0874 4.4592 4.4592 5.2410 5.2410 5.6734 5.6734 7.3633 7.3633 10.3050 10.3050 10.5543 10.5543 10.6929 10.6929 10.7023 10.7023 10.9407 10.9407 10.9844 10.9844 14.8121 14.8121 19.0863 19.0863 21.2586 21.2586 21.8857 21.8857 k = 0.1230 0.1230-0.0000 ( 1859 PWs) bands (ev): -8.0906 -8.0906 -4.7630 -4.7630 -4.6204 -4.6204 -3.5843 -3.5843 -3.4991 -3.4991 -1.1821 -1.1821 -1.1225 -1.1225 -1.0867 -1.0867 4.5053 4.5053 5.2136 5.2136 5.5999 5.5999 7.4091 7.4091 10.3250 10.3250 10.5710 10.5710 10.7037 10.7037 10.7167 10.7167 10.9070 10.9070 10.9569 10.9569 14.6860 14.6860 19.1852 19.1852 21.3808 21.3808 21.9711 21.9711 k = 0.1148 0.1148-0.0000 ( 1859 PWs) bands (ev): -8.1156 -8.1156 -4.7441 -4.7441 -4.6175 -4.6175 -3.5723 -3.5723 -3.4963 -3.4963 -1.1760 -1.1760 -1.1187 -1.1187 -1.0859 -1.0859 4.5516 4.5516 5.1875 5.1875 5.5304 5.5304 7.4460 7.4460 10.3453 10.3453 10.5875 10.5875 10.7136 10.7136 10.7307 10.7307 10.8776 10.8776 10.9344 10.9344 14.5629 14.5629 19.2820 19.2820 21.5050 21.5050 22.0566 22.0566 k = 0.1066 0.1066-0.0000 ( 1855 PWs) bands (ev): -8.1389 -8.1389 -4.7264 -4.7264 -4.6152 -4.6152 -3.5606 -3.5606 -3.4936 -3.4936 -1.1702 -1.1702 -1.1148 -1.1148 -1.0851 -1.0851 4.5975 4.5975 5.1628 5.1628 5.4651 5.4651 7.4737 7.4737 10.3665 10.3665 10.6039 10.6039 10.7229 10.7229 10.7439 10.7439 10.8541 10.8541 10.9148 10.9148 14.4429 14.4429 19.3760 19.3760 21.6305 21.6305 22.1421 22.1421 k = 0.0984 0.0984-0.0000 ( 1859 PWs) bands (ev): -8.1606 -8.1606 -4.7098 -4.7098 -4.6136 -4.6136 -3.5492 -3.5492 -3.4909 -3.4909 -1.1648 -1.1648 -1.1108 -1.1108 -1.0841 -1.0841 4.6426 4.6426 5.1397 5.1397 5.4044 5.4044 7.4926 7.4926 10.3889 10.3889 10.6202 10.6202 10.7315 10.7315 10.7561 10.7561 10.8363 10.8363 10.8974 10.8974 14.3265 14.3265 19.4668 19.4668 21.7568 21.7568 22.2271 22.2271 k = 0.0902 0.0902-0.0000 ( 1859 PWs) bands (ev): -8.1806 -8.1806 -4.6944 -4.6944 -4.6124 -4.6124 -3.5382 -3.5382 -3.4883 -3.4883 -1.1599 -1.1599 -1.1067 -1.1067 -1.0832 -1.0832 4.6865 4.6865 5.1182 5.1182 5.3485 5.3485 7.5032 7.5032 10.4126 10.4126 10.6368 10.6368 10.7395 10.7395 10.7672 10.7672 10.8238 10.8238 10.8820 10.8820 14.2144 14.2144 19.5539 19.5539 21.8835 21.8835 22.3114 22.3114 k = 0.0820 0.0820-0.0000 ( 1859 PWs) bands (ev): -8.1990 -8.1990 -4.6803 -4.6803 -4.6116 -4.6116 -3.5278 -3.5278 -3.4859 -3.4859 -1.1556 -1.1556 -1.1026 -1.1026 -1.0822 -1.0822 4.7284 4.7284 5.0986 5.0986 5.2975 5.2975 7.5063 7.5063 10.4374 10.4374 10.6538 10.6538 10.7469 10.7469 10.7769 10.7769 10.8156 10.8156 10.8687 10.8687 14.1071 14.1071 19.6366 19.6366 22.0099 22.0099 22.3947 22.3947 k = 0.0738 0.0738-0.0000 ( 1859 PWs) bands (ev): -8.2157 -8.2157 -4.6674 -4.6674 -4.6111 -4.6111 -3.5180 -3.5180 -3.4836 -3.4836 -1.1518 -1.1518 -1.0984 -1.0984 -1.0812 -1.0812 4.7675 4.7675 5.0814 5.0814 5.2518 5.2518 7.5031 7.5031 10.4627 10.4627 10.6715 10.6715 10.7535 10.7535 10.7849 10.7849 10.8110 10.8110 10.8576 10.8576 14.0054 14.0054 19.7143 19.7143 22.1353 22.1353 22.4765 22.4765 k = 0.0656 0.0656-0.0000 ( 1857 PWs) bands (ev): -8.2307 -8.2307 -4.6559 -4.6559 -4.6109 -4.6109 -3.5090 -3.5090 -3.4814 -3.4814 -1.1484 -1.1484 -1.0944 -1.0944 -1.0803 -1.0803 4.8026 4.8026 5.0670 5.0670 5.2115 5.2115 7.4947 7.4947 10.4873 10.4873 10.6900 10.6900 10.7595 10.7595 10.7908 10.7908 10.8093 10.8093 10.8492 10.8492 13.9101 13.9101 19.7865 19.7865 22.2591 22.2591 22.5561 22.5561 k = 0.0574 0.0574-0.0000 ( 1865 PWs) bands (ev): -8.2439 -8.2439 -4.6456 -4.6456 -4.6109 -4.6109 -3.5009 -3.5009 -3.4795 -3.4795 -1.1456 -1.1456 -1.0905 -1.0905 -1.0794 -1.0794 4.8326 4.8326 5.0562 5.0562 5.1767 5.1767 7.4827 7.4827 10.5102 10.5102 10.7094 10.7094 10.7648 10.7648 10.7942 10.7942 10.8099 10.8099 10.8439 10.8439 13.8221 13.8221 19.8524 19.8524 22.3803 22.3803 22.6329 22.6329 k = 0.0492 0.0492-0.0000 ( 1857 PWs) bands (ev): -8.2554 -8.2554 -4.6367 -4.6367 -4.6110 -4.6110 -3.4937 -3.4937 -3.4778 -3.4778 -1.1433 -1.1433 -1.0870 -1.0870 -1.0785 -1.0785 4.8559 4.8559 5.0502 5.0502 5.1474 5.1474 7.4684 7.4684 10.5304 10.5304 10.7288 10.7288 10.7694 10.7694 10.7954 10.7954 10.8121 10.8121 10.8418 10.8418 13.7424 13.7424 19.9114 19.9114 22.4979 22.4979 22.7059 22.7059 k = 0.0410 0.0410-0.0000 ( 1851 PWs) bands (ev): -8.2652 -8.2652 -4.6291 -4.6291 -4.6111 -4.6111 -3.4874 -3.4874 -3.4763 -3.4763 -1.1414 -1.1414 -1.0838 -1.0838 -1.0778 -1.0778 4.8717 4.8717 5.0494 5.0494 5.1234 5.1234 7.4534 7.4534 10.5473 10.5473 10.7468 10.7468 10.7733 10.7733 10.7950 10.7950 10.8162 10.8162 10.8422 10.8422 13.6722 13.6722 19.9628 19.9628 22.6105 22.6105 22.7738 22.7738 k = 0.0328 0.0328-0.0000 ( 1851 PWs) bands (ev): -8.2732 -8.2732 -4.6229 -4.6229 -4.6113 -4.6113 -3.4822 -3.4822 -3.4751 -3.4751 -1.1398 -1.1398 -1.0811 -1.0811 -1.0772 -1.0772 4.8803 4.8803 5.0532 5.0532 5.1045 5.1045 7.4390 7.4390 10.5607 10.5607 10.7613 10.7613 10.7763 10.7763 10.7942 10.7942 10.8227 10.8227 10.8439 10.8439 13.6127 13.6127 20.0059 20.0059 22.7159 22.7159 22.8349 22.8349 k = 0.0246 0.0246-0.0000 ( 1851 PWs) bands (ev): -8.2794 -8.2794 -4.6181 -4.6181 -4.6115 -4.6115 -3.4781 -3.4781 -3.4741 -3.4741 -1.1387 -1.1387 -1.0789 -1.0789 -1.0767 -1.0767 4.8836 4.8836 5.0596 5.0596 5.0902 5.0902 7.4264 7.4264 10.5707 10.5707 10.7709 10.7709 10.7783 10.7783 10.7940 10.7940 10.8313 10.8313 10.8458 10.8458 13.5649 13.5649 20.0401 20.0401 22.8106 22.8106 22.8870 22.8870 k = 0.0164 0.0164-0.0000 ( 1855 PWs) bands (ev): -8.2838 -8.2838 -4.6146 -4.6146 -4.6117 -4.6117 -3.4752 -3.4752 -3.4734 -3.4734 -1.1379 -1.1379 -1.0773 -1.0773 -1.0763 -1.0763 4.8840 4.8840 5.0662 5.0662 5.0804 5.0804 7.4166 7.4166 10.5775 10.5775 10.7761 10.7761 10.7791 10.7791 10.7946 10.7946 10.8401 10.8401 10.8475 10.8475 13.5299 13.5299 20.0650 20.0650 22.8890 22.8890 22.9274 22.9274 k = 0.0082 0.0082-0.0000 ( 1861 PWs) bands (ev): -8.2865 -8.2865 -4.6125 -4.6125 -4.6118 -4.6118 -3.4734 -3.4734 -3.4729 -3.4729 -1.1374 -1.1374 -1.0763 -1.0763 -1.0761 -1.0761 4.8836 4.8836 5.0709 5.0709 5.0746 5.0746 7.4104 7.4104 10.5815 10.5815 10.7786 10.7786 10.7793 10.7793 10.7955 10.7955 10.8466 10.8466 10.8486 10.8486 13.5085 13.5085 20.0801 20.0801 22.9428 22.9428 22.9533 22.9533 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -8.2874 -8.2874 -4.6118 -4.6118 -4.6118 -4.6118 -3.4728 -3.4728 -3.4728 -3.4728 -1.1373 -1.1373 -1.0760 -1.0760 -1.0760 -1.0760 4.8833 4.8833 5.0726 5.0726 5.0726 5.0726 7.4083 7.4083 10.5828 10.5828 10.7793 10.7793 10.7793 10.7793 10.7958 10.7958 10.8490 10.8490 10.8490 10.8490 13.5013 13.5013 20.0851 20.0851 22.9623 22.9623 22.9623 22.9623 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -8.2874 -8.2874 -4.6118 -4.6118 -4.6118 -4.6118 -3.4728 -3.4728 -3.4728 -3.4728 -1.1373 -1.1373 -1.0760 -1.0760 -1.0760 -1.0760 4.8833 4.8833 5.0726 5.0726 5.0726 5.0726 7.4083 7.4083 10.5828 10.5828 10.7793 10.7793 10.7793 10.7793 10.7958 10.7958 10.8490 10.8490 10.8490 10.8490 13.5013 13.5013 20.0851 20.0851 22.9623 22.9623 22.9623 22.9623 k = 0.0068 0.0068 0.0068 ( 1857 PWs) bands (ev): -8.2865 -8.2865 -4.6123 -4.6123 -4.6121 -4.6121 -3.4734 -3.4734 -3.4729 -3.4729 -1.1374 -1.1374 -1.0763 -1.0763 -1.0761 -1.0761 4.8835 4.8835 5.0707 5.0707 5.0748 5.0748 7.4105 7.4105 10.5815 10.5815 10.7785 10.7785 10.7793 10.7793 10.7955 10.7955 10.8465 10.8465 10.8487 10.8487 13.5086 13.5086 20.0800 20.0800 22.9455 22.9455 22.9500 22.9500 k = 0.0135 0.0135 0.0135 ( 1857 PWs) bands (ev): -8.2838 -8.2838 -4.6137 -4.6137 -4.6127 -4.6127 -3.4753 -3.4753 -3.4733 -3.4733 -1.1379 -1.1379 -1.0774 -1.0774 -1.0763 -1.0763 4.8839 4.8839 5.0655 5.0655 5.0813 5.0813 7.4168 7.4168 10.5774 10.5774 10.7759 10.7759 10.7791 10.7791 10.7948 10.7948 10.8395 10.8395 10.8480 10.8480 13.5304 13.5304 20.0646 20.0646 22.8992 22.8992 22.9144 22.9144 k = 0.0203 0.0203 0.0203 ( 1851 PWs) bands (ev): -8.2792 -8.2792 -4.6159 -4.6159 -4.6138 -4.6138 -3.4785 -3.4785 -3.4739 -3.4739 -1.1387 -1.1387 -1.0791 -1.0791 -1.0766 -1.0766 4.8827 4.8827 5.0588 5.0588 5.0921 5.0921 7.4266 7.4266 10.5704 10.5704 10.7708 10.7708 10.7772 10.7772 10.7947 10.7947 10.8294 10.8294 10.8478 10.8478 13.5660 13.5660 20.0394 20.0394 22.8319 22.8319 22.8586 22.8586 k = 0.0270 0.0270 0.0270 ( 1851 PWs) bands (ev): -8.2729 -8.2729 -4.6191 -4.6191 -4.6153 -4.6153 -3.4828 -3.4828 -3.4747 -3.4747 -1.1399 -1.1399 -1.0814 -1.0814 -1.0769 -1.0769 4.8772 4.8772 5.0540 5.0540 5.1072 5.1072 7.4392 7.4392 10.5604 10.5604 10.7622 10.7622 10.7712 10.7712 10.7962 10.7962 10.8192 10.8192 10.8489 10.8489 13.6145 13.6145 20.0047 20.0047 22.7514 22.7514 22.7861 22.7861 k = 0.0338 0.0338 0.0338 ( 1854 PWs) bands (ev): -8.2647 -8.2647 -4.6232 -4.6232 -4.6173 -4.6173 -3.4884 -3.4884 -3.4757 -3.4757 -1.1415 -1.1415 -1.0844 -1.0844 -1.0773 -1.0773 4.8640 4.8640 5.0547 5.0547 5.1265 5.1265 7.4533 7.4533 10.5473 10.5473 10.7496 10.7496 10.7588 10.7588 10.7992 10.7992 10.8128 10.8128 10.8519 10.8519 13.6748 13.6748 19.9611 19.9611 22.6632 22.6632 22.6997 22.6997 k = 0.0405 0.0405 0.0405 ( 1860 PWs) bands (ev): -8.2548 -8.2548 -4.6283 -4.6283 -4.6198 -4.6198 -3.4950 -3.4950 -3.4769 -3.4769 -1.1435 -1.1435 -1.0879 -1.0879 -1.0777 -1.0777 4.8411 4.8411 5.0638 5.0638 5.1501 5.1501 7.4676 7.4676 10.5317 10.5317 10.7326 10.7326 10.7402 10.7402 10.8027 10.8027 10.8124 10.8124 10.8572 10.8572 13.7457 13.7457 19.9093 19.9093 22.5710 22.5710 22.6021 22.6021 k = 0.0473 0.0473 0.0473 ( 1857 PWs) bands (ev): -8.2431 -8.2431 -4.6343 -4.6343 -4.6228 -4.6228 -3.5028 -3.5028 -3.4783 -3.4783 -1.1458 -1.1458 -1.0920 -1.0920 -1.0780 -1.0780 4.8089 4.8089 5.0813 5.0813 5.1777 5.1777 7.4806 7.4806 10.5144 10.5144 10.7115 10.7115 10.7178 10.7178 10.8070 10.8070 10.8170 10.8170 10.8645 10.8645 13.8259 13.8259 19.8501 19.8501 22.4769 22.4769 22.4954 22.4954 k = 0.0541 0.0541 0.0541 ( 1860 PWs) bands (ev): -8.2296 -8.2296 -4.6412 -4.6412 -4.6263 -4.6263 -3.5115 -3.5115 -3.4798 -3.4798 -1.1487 -1.1487 -1.0966 -1.0966 -1.0782 -1.0782 4.7691 4.7691 5.1063 5.1063 5.2094 5.2094 7.4908 7.4908 10.4961 10.4961 10.6864 10.6864 10.6936 10.6936 10.8131 10.8131 10.8244 10.8244 10.8738 10.8738 13.9141 13.9141 19.7840 19.7840 22.3811 22.3811 22.3825 22.3825 k = 0.0608 0.0608 0.0608 ( 1860 PWs) bands (ev): -8.2143 -8.2143 -4.6491 -4.6491 -4.6304 -4.6304 -3.5211 -3.5211 -3.4815 -3.4815 -1.1519 -1.1519 -1.1016 -1.1016 -1.0782 -1.0782 4.7233 4.7233 5.1376 5.1376 5.2451 5.2451 7.4964 7.4964 10.4775 10.4775 10.6575 10.6575 10.6697 10.6697 10.8215 10.8215 10.8336 10.8336 10.8849 10.8849 14.0093 14.0093 19.7117 19.7117 22.2608 22.2608 22.2887 22.2887 k = 0.0676 0.0676 0.0676 ( 1863 PWs) bands (ev): -8.1973 -8.1973 -4.6579 -4.6579 -4.6352 -4.6352 -3.5315 -3.5315 -3.4832 -3.4832 -1.1556 -1.1556 -1.1070 -1.1070 -1.0781 -1.0781 4.6730 4.6730 5.1744 5.1744 5.2847 5.2847 7.4962 7.4962 10.4583 10.4583 10.6250 10.6250 10.6486 10.6486 10.8322 10.8322 10.8442 10.8442 10.8976 10.8976 14.1104 14.1104 19.6338 19.6338 22.1358 22.1358 22.1961 22.1961 k = 0.0743 0.0743 0.0743 ( 1863 PWs) bands (ev): -8.1786 -8.1786 -4.6677 -4.6677 -4.6405 -4.6405 -3.5427 -3.5427 -3.4850 -3.4850 -1.1596 -1.1596 -1.1127 -1.1127 -1.0777 -1.0777 4.6191 4.6191 5.2160 5.2160 5.3280 5.3280 7.4888 7.4888 10.4371 10.4371 10.5892 10.5892 10.6334 10.6334 10.8448 10.8448 10.8563 10.8563 10.9118 10.9118 14.2165 14.2165 19.5508 19.5508 22.0074 22.0074 22.1054 22.1054 k = 0.0811 0.0811 0.0811 ( 1857 PWs) bands (ev): -8.1581 -8.1581 -4.6784 -4.6784 -4.6466 -4.6466 -3.5544 -3.5544 -3.4869 -3.4869 -1.1640 -1.1640 -1.1187 -1.1187 -1.0770 -1.0770 4.5625 4.5625 5.2619 5.2619 5.3751 5.3751 7.4731 7.4731 10.4115 10.4115 10.5502 10.5502 10.6281 10.6281 10.8591 10.8591 10.8701 10.8701 10.9273 10.9273 14.3268 14.3268 19.4632 19.4632 21.8767 21.8767 22.0169 22.0169 k = 0.0878 0.0878 0.0878 ( 1851 PWs) bands (ev): -8.1360 -8.1360 -4.6901 -4.6901 -4.6534 -4.6534 -3.5667 -3.5667 -3.4888 -3.4888 -1.1686 -1.1686 -1.1248 -1.1248 -1.0762 -1.0762 4.5039 4.5039 5.3120 5.3120 5.4257 5.4257 7.4487 7.4487 10.3798 10.3798 10.5080 10.5080 10.6353 10.6353 10.8745 10.8745 10.8859 10.8859 10.9441 10.9441 14.4406 14.4406 19.3712 19.3712 21.7450 21.7450 21.9309 21.9309 k = 0.0946 0.0946 0.0946 ( 1857 PWs) bands (ev): -8.1123 -8.1123 -4.7028 -4.7028 -4.6609 -4.6609 -3.5793 -3.5793 -3.4907 -3.4907 -1.1735 -1.1735 -1.1311 -1.1311 -1.0751 -1.0751 4.4436 4.4436 5.3658 5.3658 5.4797 5.4797 7.4150 7.4150 10.3415 10.3415 10.4630 10.4630 10.6558 10.6558 10.8905 10.8905 10.9041 10.9041 10.9620 10.9620 14.5574 14.5574 19.2751 19.2751 21.6131 21.6131 21.8475 21.8475 k = 0.1014 0.1014 0.1014 ( 1857 PWs) bands (ev): -8.0868 -8.0868 -4.7164 -4.7164 -4.6693 -4.6693 -3.5921 -3.5921 -3.4925 -3.4925 -1.1786 -1.1786 -1.1374 -1.1374 -1.0738 -1.0738 4.3822 4.3822 5.4233 5.4233 5.5371 5.5371 7.3721 7.3721 10.2975 10.2975 10.4151 10.4151 10.6889 10.6889 10.9071 10.9071 10.9251 10.9251 10.9810 10.9810 14.6765 14.6765 19.1752 19.1752 21.4823 21.4823 21.7671 21.7671 k = 0.1081 0.1081 0.1081 ( 1857 PWs) bands (ev): -8.0598 -8.0598 -4.7311 -4.7311 -4.6786 -4.6786 -3.6050 -3.6050 -3.4942 -3.4942 -1.1838 -1.1838 -1.1437 -1.1437 -1.0723 -1.0723 4.3198 4.3198 5.4842 5.4842 5.5977 5.5977 7.3205 7.3205 10.2487 10.2487 10.3646 10.3646 10.7330 10.7330 10.9243 10.9243 10.9490 10.9490 11.0011 11.0011 14.7976 14.7976 19.0715 19.0715 21.3534 21.3534 21.6897 21.6897 k = 0.1149 0.1149 0.1149 ( 1857 PWs) bands (ev): -8.0312 -8.0312 -4.7466 -4.7466 -4.6889 -4.6889 -3.6180 -3.6180 -3.4958 -3.4958 -1.1890 -1.1890 -1.1499 -1.1499 -1.0706 -1.0706 4.2567 4.2567 5.5482 5.5482 5.6613 5.6613 7.2607 7.2607 10.1958 10.1958 10.3116 10.3116 10.7859 10.7859 10.9423 10.9423 10.9766 10.9766 11.0221 11.0221 14.9203 14.9203 18.9644 18.9644 21.2273 21.2273 21.6155 21.6155 k = 0.1216 0.1216 0.1216 ( 1857 PWs) bands (ev): -8.0011 -8.0011 -4.7631 -4.7631 -4.7001 -4.7001 -3.6307 -3.6307 -3.4973 -3.4973 -1.1942 -1.1942 -1.1560 -1.1560 -1.0687 -1.0687 4.1931 4.1931 5.6154 5.6154 5.7278 5.7278 7.1934 7.1934 10.1395 10.1395 10.2562 10.2562 10.8444 10.8444 10.9611 10.9611 11.0096 11.0096 11.0440 11.0440 15.0442 15.0442 18.8539 18.8539 21.1050 21.1050 21.5445 21.5445 k = 0.1284 0.1284 0.1284 ( 1857 PWs) bands (ev): -7.9694 -7.9694 -4.7806 -4.7806 -4.7123 -4.7123 -3.6432 -3.6432 -3.4986 -3.4986 -1.1993 -1.1993 -1.1619 -1.1619 -1.0665 -1.0665 4.1291 4.1291 5.6853 5.6853 5.7971 5.7971 7.1197 7.1197 10.0802 10.0802 10.1987 10.1987 10.9034 10.9034 10.9808 10.9808 11.0515 11.0515 11.0666 11.0666 15.1691 15.1691 18.7404 18.7404 20.9870 20.9870 21.4769 21.4769 k = 0.1351 0.1351 0.1351 ( 1857 PWs) bands (ev): -7.9363 -7.9363 -4.7989 -4.7989 -4.7256 -4.7256 -3.6553 -3.6553 -3.4998 -3.4998 -1.2043 -1.2043 -1.1675 -1.1675 -1.0643 -1.0643 4.0647 4.0647 5.7580 5.7580 5.8691 5.8691 7.0405 7.0405 10.0185 10.0185 10.1391 10.1391 10.9567 10.9567 11.0014 11.0014 11.0900 11.0900 11.1070 11.1070 15.2947 15.2947 18.6240 18.6240 20.8742 20.8742 21.4126 21.4126 k = 0.1419 0.1419 0.1419 ( 1857 PWs) bands (ev): -7.9017 -7.9017 -4.8181 -4.8181 -4.7400 -4.7400 -3.6668 -3.6668 -3.5007 -3.5007 -1.2090 -1.2090 -1.1728 -1.1728 -1.0618 -1.0618 4.0001 4.0001 5.8331 5.8331 5.9435 5.9435 6.9567 6.9567 9.9545 9.9545 10.0777 10.0777 11.0008 11.0008 11.0230 11.0230 11.1140 11.1140 11.1781 11.1781 15.4209 15.4209 18.5051 18.5051 20.7670 20.7670 21.3518 21.3518 k = 0.1486 0.1486 0.1486 ( 1857 PWs) bands (ev): -7.8658 -7.8658 -4.8382 -4.8382 -4.7555 -4.7555 -3.6777 -3.6777 -3.5014 -3.5014 -1.2134 -1.2134 -1.1778 -1.1778 -1.0592 -1.0592 3.9351 3.9351 5.9106 5.9106 6.0202 6.0202 6.8693 6.8693 9.8885 9.8885 10.0147 10.0147 11.0369 11.0369 11.0466 11.0466 11.1385 11.1385 11.2614 11.2614 15.5474 15.5474 18.3842 18.3842 20.6659 20.6659 21.2945 21.2945 k = 0.1554 0.1554 0.1554 ( 1857 PWs) bands (ev): -7.8284 -7.8284 -4.8592 -4.8592 -4.7721 -4.7721 -3.6879 -3.6879 -3.5018 -3.5018 -1.2176 -1.2176 -1.1823 -1.1823 -1.0564 -1.0564 3.8698 3.8698 5.9901 5.9901 6.0990 6.0990 6.7793 6.7793 9.8210 9.8210 9.9501 9.9501 11.0649 11.0649 11.0749 11.0749 11.1635 11.1635 11.3524 11.3524 15.6741 15.6741 18.2621 18.2621 20.5713 20.5713 21.2407 21.2407 k = 0.1622 0.1622 0.1622 ( 1869 PWs) bands (ev): -7.7898 -7.7898 -4.8809 -4.8809 -4.7898 -4.7898 -3.6972 -3.6972 -3.5020 -3.5020 -1.2213 -1.2213 -1.1865 -1.1865 -1.0535 -1.0535 3.8042 3.8042 6.0715 6.0715 6.1797 6.1797 6.6875 6.6875 9.7520 9.7520 9.8842 9.8842 11.0895 11.0895 11.1055 11.1055 11.1889 11.1889 11.4477 11.4477 15.8008 15.8008 18.1393 18.1393 20.4832 20.4832 21.1903 21.1903 k = 0.1689 0.1689 0.1689 ( 1875 PWs) bands (ev): -7.7499 -7.7499 -4.9033 -4.9033 -4.8087 -4.8087 -3.7057 -3.7057 -3.5019 -3.5019 -1.2246 -1.2246 -1.1901 -1.1901 -1.0505 -1.0505 3.7380 3.7380 6.1546 6.1546 6.2622 6.2622 6.5947 6.5947 9.6819 9.6819 9.8173 9.8173 11.1141 11.1141 11.1357 11.1357 11.2146 11.2146 11.5449 11.5449 15.9275 15.9275 18.0170 18.0170 20.4019 20.4019 21.1435 21.1435 k = 0.1757 0.1757 0.1757 ( 1869 PWs) bands (ev): -7.7087 -7.7087 -4.9265 -4.9265 -4.8287 -4.8287 -3.7131 -3.7131 -3.5016 -3.5016 -1.2274 -1.2274 -1.1932 -1.1932 -1.0473 -1.0473 3.6712 3.6712 6.2391 6.2391 6.3463 6.3463 6.5018 6.5018 9.6110 9.6110 9.7495 9.7495 11.1392 11.1392 11.1656 11.1656 11.2407 11.2407 11.6420 11.6420 16.0541 16.0541 17.8961 17.8961 20.3274 20.3274 21.1003 21.1003 k = 0.1824 0.1824 0.1824 ( 1869 PWs) bands (ev): -7.6665 -7.6665 -4.9504 -4.9504 -4.8498 -4.8498 -3.7195 -3.7195 -3.5009 -3.5009 -1.2297 -1.2297 -1.1958 -1.1958 -1.0440 -1.0440 3.6038 3.6038 6.3243 6.3243 6.4099 6.4099 6.4317 6.4317 9.5397 9.5397 9.6811 9.6811 11.1649 11.1649 11.1953 11.1953 11.2668 11.2668 11.7373 11.7373 16.1803 16.1803 17.7778 17.7778 20.2596 20.2596 21.0605 21.0605 k = 0.1892 0.1892 0.1892 ( 1869 PWs) bands (ev): -7.6230 -7.6230 -4.9748 -4.9748 -4.8718 -4.8718 -3.7249 -3.7249 -3.5000 -3.5000 -1.2315 -1.2315 -1.1978 -1.1978 -1.0406 -1.0406 3.5355 3.5355 6.3171 6.3171 6.4125 6.4125 6.5181 6.5181 9.4681 9.4681 9.6124 9.6124 11.1911 11.1911 11.2248 11.2248 11.2932 11.2932 11.8290 11.8290 16.3062 16.3062 17.6637 17.6637 20.1985 20.1985 21.0243 21.0243 k = 0.1959 0.1959 0.1959 ( 1869 PWs) bands (ev): -7.5786 -7.5786 -4.9999 -4.9999 -4.8949 -4.8949 -3.7292 -3.7292 -3.4988 -3.4988 -1.2326 -1.2326 -1.1992 -1.1992 -1.0371 -1.0371 3.4662 3.4662 6.2281 6.2281 6.4992 6.4992 6.6053 6.6053 9.3967 9.3967 9.5436 9.5436 11.2179 11.2179 11.2541 11.2541 11.3195 11.3195 11.9156 11.9156 16.4314 16.4314 17.5554 17.5554 20.1439 20.1439 20.9914 20.9914 k = 0.2027 0.2027 0.2027 ( 1869 PWs) bands (ev): -7.5331 -7.5331 -5.0254 -5.0254 -4.9189 -4.9189 -3.7323 -3.7323 -3.4973 -3.4973 -1.2331 -1.2331 -1.2000 -1.2000 -1.0335 -1.0335 3.3957 3.3957 6.1412 6.1412 6.5866 6.5866 6.6930 6.6930 9.3259 9.3259 9.4751 9.4751 11.2453 11.2453 11.2833 11.2833 11.3459 11.3459 11.9952 11.9952 16.5558 16.5558 17.4545 17.4545 20.0956 20.0956 20.9620 20.9620 k = 0.2095 0.2095 0.2095 ( 1869 PWs) bands (ev): -7.4867 -7.4867 -5.0514 -5.0514 -4.9437 -4.9437 -3.7344 -3.7344 -3.4955 -3.4955 -1.2330 -1.2330 -1.2002 -1.2002 -1.0298 -1.0298 3.3240 3.3240 6.0571 6.0571 6.6737 6.6737 6.7809 6.7809 9.2561 9.2561 9.4072 9.4072 11.2731 11.2731 11.3123 11.3123 11.3722 11.3722 12.0662 12.0662 16.6787 16.6787 17.3634 17.3634 20.0535 20.0535 20.9360 20.9360 k = 0.2162 0.2162 0.2162 ( 1875 PWs) bands (ev): -7.4394 -7.4394 -5.0778 -5.0778 -4.9693 -4.9693 -3.7354 -3.7354 -3.4935 -3.4935 -1.2322 -1.2322 -1.1998 -1.1998 -1.0260 -1.0260 3.2509 3.2509 5.9764 5.9764 6.7601 6.7601 6.8684 6.8684 9.1878 9.1878 9.3404 9.3404 11.3013 11.3013 11.3411 11.3411 11.3984 11.3984 12.1269 12.1269 16.7987 16.7987 17.2850 17.2850 20.0173 20.0173 20.9132 20.9132 k = 0.2230 0.2230 0.2230 ( 1875 PWs) bands (ev): -7.3913 -7.3913 -5.1045 -5.1045 -4.9956 -4.9956 -3.7352 -3.7352 -3.4912 -3.4912 -1.2307 -1.2307 -1.1988 -1.1988 -1.0222 -1.0222 3.1762 3.1762 5.8995 5.8995 6.8453 6.8453 6.9552 6.9552 9.1217 9.1217 9.2751 9.2751 11.3300 11.3300 11.3696 11.3696 11.4244 11.4244 12.1756 12.1756 16.9114 16.9114 17.2254 17.2254 19.9869 19.9869 20.8937 20.8937 k = 0.2297 0.2297 0.2297 ( 1869 PWs) bands (ev): -7.3425 -7.3425 -5.1315 -5.1315 -5.0225 -5.0225 -3.7340 -3.7340 -3.4886 -3.4886 -1.2285 -1.2285 -1.1972 -1.1972 -1.0182 -1.0182 3.0999 3.0999 5.8268 5.8268 6.9284 6.9284 7.0406 7.0406 9.0585 9.0585 9.2120 9.2120 11.3590 11.3590 11.3979 11.3979 11.4502 11.4502 12.2107 12.2107 17.0002 17.0002 17.2026 17.2026 19.9622 19.9622 20.8774 20.8774 k = 0.2365 0.2365 0.2365 ( 1869 PWs) bands (ev): -7.2929 -7.2929 -5.1587 -5.1587 -5.0499 -5.0499 -3.7318 -3.7318 -3.4858 -3.4858 -1.2255 -1.2255 -1.1949 -1.1949 -1.0142 -1.0142 3.0220 3.0220 5.7587 5.7587 7.0086 7.0086 7.1240 7.1240 8.9991 8.9991 9.1517 9.1517 11.3882 11.3882 11.4258 11.4258 11.4757 11.4757 12.2310 12.2310 17.0314 17.0314 17.2516 17.2516 19.9428 19.9428 20.8642 20.8642 k = 0.2432 0.2432 0.2432 ( 1869 PWs) bands (ev): -7.2428 -7.2428 -5.1861 -5.1861 -5.0777 -5.0777 -3.7285 -3.7285 -3.4828 -3.4828 -1.2219 -1.2219 -1.1920 -1.1920 -1.0101 -1.0101 2.9424 2.9424 5.6955 5.6955 7.0850 7.0850 7.2045 7.2045 8.9444 8.9444 9.0950 9.0950 11.4178 11.4178 11.4535 11.4535 11.5010 11.5010 12.2355 12.2355 17.0265 17.0265 17.3517 17.3517 19.9287 19.9287 20.8540 20.8540 k = 0.2500 0.2500 0.2500 ( 1854 PWs) bands (ev): -7.1921 -7.1921 -5.2136 -5.2136 -5.1058 -5.1058 -3.7242 -3.7242 -3.4796 -3.4796 -1.2175 -1.2175 -1.1885 -1.1885 -1.0060 -1.0060 2.8610 2.8610 5.6373 5.6373 7.1562 7.1562 7.2811 7.2811 8.8957 8.8957 9.0430 9.0430 11.4475 11.4475 11.4807 11.4807 11.5260 11.5260 12.2235 12.2235 17.0221 17.0221 17.4670 17.4670 19.9197 19.9197 20.8467 20.8467 k = 0.2568 0.2568 0.2568 ( 1860 PWs) bands (ev): -7.1410 -7.1410 -5.2411 -5.2411 -5.1342 -5.1342 -3.7191 -3.7191 -3.4762 -3.4762 -1.2124 -1.2124 -1.1845 -1.1845 -1.0018 -1.0018 2.7780 2.7780 5.5844 5.5844 7.2209 7.2209 7.3526 7.3526 8.8544 8.8544 8.9968 8.9968 11.4773 11.4773 11.5076 11.5076 11.5506 11.5506 12.1948 12.1948 17.0289 17.0289 17.5868 17.5868 19.9156 19.9156 20.8422 20.8422 k = 0.2635 0.2635 0.2635 ( 1860 PWs) bands (ev): -7.0896 -7.0896 -5.2686 -5.2686 -5.1628 -5.1628 -3.7130 -3.7130 -3.4726 -3.4726 -1.2066 -1.2066 -1.1798 -1.1798 -0.9976 -0.9976 2.6934 2.6934 5.5369 5.5369 7.2776 7.2776 7.4176 7.4176 8.8220 8.8220 8.9579 8.9579 11.5072 11.5072 11.5341 11.5341 11.5749 11.5749 12.1497 12.1497 17.0492 17.0492 17.7085 17.7085 19.9164 19.9164 20.8403 20.8403 k = 0.2703 0.2703 0.2703 ( 1860 PWs) bands (ev): -7.0378 -7.0378 -5.2960 -5.2960 -5.1914 -5.1914 -3.7061 -3.7061 -3.4688 -3.4688 -1.2001 -1.2001 -1.1746 -1.1746 -0.9933 -0.9933 2.6073 2.6073 5.4949 5.4949 7.3246 7.3246 7.4745 7.4745 8.8001 8.8001 8.9278 8.9278 11.5371 11.5371 11.5602 11.5602 11.5988 11.5988 12.0887 12.0887 17.0833 17.0833 17.8308 17.8308 19.9220 19.9220 20.8410 20.8410 k = 0.2770 0.2770 0.2770 ( 1854 PWs) bands (ev): -6.9858 -6.9858 -5.3232 -5.3232 -5.2200 -5.2200 -3.6983 -3.6983 -3.4650 -3.4650 -1.1929 -1.1929 -1.1689 -1.1689 -0.9890 -0.9890 2.5199 2.5199 5.4584 5.4584 7.3604 7.3604 7.5216 7.5216 8.7902 8.7902 8.9081 8.9081 11.5667 11.5667 11.5861 11.5861 11.6224 11.6224 12.0129 12.0129 17.1306 17.1306 17.9533 17.9533 19.9323 19.9323 20.8442 20.8442 k = 0.2838 0.2838 0.2838 ( 1854 PWs) bands (ev): -6.9337 -6.9337 -5.3503 -5.3503 -5.2485 -5.2485 -3.6898 -3.6898 -3.4610 -3.4610 -1.1851 -1.1851 -1.1627 -1.1627 -0.9846 -0.9846 2.4313 2.4313 5.4275 5.4275 7.3841 7.3841 7.5576 7.5576 8.7932 8.7932 8.9002 8.9002 11.5961 11.5961 11.6118 11.6118 11.6456 11.6456 11.9234 11.9234 17.1899 17.1899 18.0757 18.0757 19.9472 19.9472 20.8496 20.8496 k = 0.2905 0.2905 0.2905 ( 1857 PWs) bands (ev): -6.8816 -6.8816 -5.3771 -5.3771 -5.2769 -5.2769 -3.6806 -3.6806 -3.4569 -3.4569 -1.1767 -1.1767 -1.1560 -1.1560 -0.9802 -0.9802 2.3418 2.3418 5.4021 5.4021 7.3953 7.3953 7.5815 7.5815 8.8094 8.8094 8.9050 8.9050 11.6247 11.6247 11.6377 11.6377 11.6684 11.6684 11.8215 11.8215 17.2598 17.2598 18.1977 18.1977 19.9667 19.9667 20.8571 20.8571 k = 0.2973 0.2973 0.2973 ( 1851 PWs) bands (ev): -6.8296 -6.8296 -5.4036 -5.4036 -5.3050 -5.3050 -3.6708 -3.6708 -3.4527 -3.4527 -1.1677 -1.1677 -1.1488 -1.1488 -0.9758 -0.9758 2.2515 2.2515 5.3822 5.3822 7.3944 7.3944 7.5928 7.5928 8.8384 8.8384 8.9228 8.9228 11.6519 11.6519 11.6640 11.6640 11.6910 11.6910 11.7089 11.7089 17.3389 17.3389 18.3191 18.3191 19.9908 19.9908 20.8665 20.8665 k = 0.3041 0.3041 0.3041 ( 1851 PWs) bands (ev): -6.7777 -6.7777 -5.4297 -5.4297 -5.3327 -5.3327 -3.6603 -3.6603 -3.4484 -3.4484 -1.1582 -1.1582 -1.1413 -1.1413 -0.9713 -0.9713 2.1607 2.1607 5.3678 5.3678 7.3825 7.3825 7.5920 7.5920 8.8790 8.8790 8.9531 8.9531 11.5857 11.5857 11.6780 11.6780 11.6919 11.6919 11.7132 11.7132 17.4255 17.4255 18.4395 18.4395 20.0196 20.0196 20.8777 20.8777 k = 0.3108 0.3108 0.3108 ( 1851 PWs) bands (ev): -6.7261 -6.7261 -5.4554 -5.4554 -5.3601 -5.3601 -3.6492 -3.6492 -3.4441 -3.4441 -1.1482 -1.1482 -1.1334 -1.1334 -0.9669 -0.9669 2.0697 2.0697 5.3587 5.3587 7.3610 7.3610 7.5804 7.5804 8.9298 8.9298 8.9947 8.9947 11.4551 11.4551 11.7024 11.7024 11.7200 11.7200 11.7351 11.7351 17.5184 17.5184 18.5587 18.5587 20.0530 20.0530 20.8904 20.8904 k = 0.3176 0.3176 0.3176 ( 1854 PWs) bands (ev): -6.6748 -6.6748 -5.4807 -5.4807 -5.3870 -5.3870 -3.6376 -3.6376 -3.4398 -3.4398 -1.1377 -1.1377 -1.1251 -1.1251 -0.9624 -0.9624 1.9786 1.9786 5.3548 5.3548 7.3316 7.3316 7.5595 7.5595 8.9888 8.9888 9.0458 9.0458 11.3174 11.3174 11.7260 11.7260 11.7483 11.7483 11.7567 11.7567 17.6160 17.6160 18.6761 18.6761 20.0912 20.0912 20.9044 20.9044 k = 0.3243 0.3243 0.3243 ( 1842 PWs) bands (ev): -6.6240 -6.6240 -5.5054 -5.5054 -5.4134 -5.4134 -3.6256 -3.6256 -3.4355 -3.4355 -1.1269 -1.1269 -1.1165 -1.1165 -0.9578 -0.9578 1.8879 1.8879 5.3562 5.3562 7.2961 7.2961 7.5311 7.5311 9.0545 9.0545 9.1047 9.1047 11.1738 11.1738 11.7490 11.7490 11.7765 11.7765 11.7781 11.7781 17.7172 17.7172 18.7915 18.7915 20.1342 20.1342 20.9195 20.9195 k = 0.3311 0.3311 0.3311 ( 1842 PWs) bands (ev): -6.5738 -6.5738 -5.5296 -5.5296 -5.4392 -5.4392 -3.6132 -3.6132 -3.4312 -3.4312 -1.1158 -1.1158 -1.1077 -1.1077 -0.9532 -0.9532 1.7976 1.7976 5.3626 5.3626 7.2559 7.2559 7.4967 7.4967 9.1250 9.1250 9.1696 9.1696 11.0254 11.0254 11.7716 11.7716 11.7994 11.7994 11.8043 11.8043 17.8207 17.8207 18.9043 18.9043 20.1821 20.1821 20.9354 20.9354 k = 0.3378 0.3378 0.3378 ( 1842 PWs) bands (ev): -6.5242 -6.5242 -5.5531 -5.5531 -5.4644 -5.4644 -3.6004 -3.6004 -3.4269 -3.4269 -1.1045 -1.1045 -1.0987 -1.0987 -0.9486 -0.9486 1.7082 1.7082 5.3739 5.3739 7.2123 7.2123 7.4579 7.4579 9.1991 9.1991 9.2388 9.2388 10.8731 10.8731 11.7939 11.7939 11.8204 11.8204 11.8317 11.8317 17.9256 17.9256 19.0139 19.0139 20.2349 20.2349 20.9518 20.9518 k = 0.3446 0.3446 0.3446 ( 1848 PWs) bands (ev): -6.4754 -6.4754 -5.5761 -5.5761 -5.4888 -5.4888 -3.5874 -3.5874 -3.4226 -3.4226 -1.0930 -1.0930 -1.0895 -1.0895 -0.9440 -0.9440 1.6198 1.6198 5.3902 5.3902 7.1664 7.1664 7.4160 7.4160 9.2755 9.2755 9.3111 9.3111 10.7177 10.7177 11.8160 11.8160 11.8413 11.8413 11.8586 11.8586 18.0310 18.0310 19.1199 19.1199 20.2926 20.2926 20.9684 20.9684 k = 0.3514 0.3514 0.3514 ( 1848 PWs) bands (ev): -6.4276 -6.4276 -5.5983 -5.5983 -5.5126 -5.5126 -3.5741 -3.5741 -3.4184 -3.4184 -1.0814 -1.0814 -1.0801 -1.0801 -0.9392 -0.9392 1.5326 1.5326 5.4111 5.4111 7.1192 7.1192 7.3720 7.3720 9.3531 9.3531 9.3851 9.3851 10.5600 10.5600 11.8378 11.8378 11.8622 11.8622 11.8849 11.8849 18.1361 18.1361 19.2218 19.2218 20.3550 20.3550 20.9847 20.9847 k = 0.3581 0.3581 0.3581 ( 1857 PWs) bands (ev): -6.3807 -6.3807 -5.6198 -5.6198 -5.5355 -5.5355 -3.5606 -3.5606 -3.4143 -3.4143 -1.0708 -1.0708 -1.0698 -1.0698 -0.9345 -0.9345 1.4471 1.4471 5.4367 5.4367 7.0714 7.0714 7.3268 7.3268 9.4312 9.4312 9.4600 9.4600 10.4007 10.4007 11.8595 11.8595 11.8829 11.8829 11.9104 11.9104 18.2401 18.2401 19.3192 19.3192 20.4219 20.4219 21.0002 21.0002 k = 0.3649 0.3649 0.3649 ( 1857 PWs) bands (ev): -6.3350 -6.3350 -5.6406 -5.6406 -5.5576 -5.5576 -3.5470 -3.5470 -3.4103 -3.4103 -1.0613 -1.0613 -1.0583 -1.0583 -0.9296 -0.9296 1.3633 1.3633 5.4669 5.4669 7.0235 7.0235 7.2810 7.2810 9.5090 9.5090 9.5348 9.5348 10.2404 10.2404 11.8811 11.8811 11.9037 11.9037 11.9353 11.9353 18.3424 18.3424 19.4120 19.4120 20.4927 20.4927 21.0144 21.0144 k = 0.3716 0.3716 0.3716 ( 1860 PWs) bands (ev): -6.2906 -6.2906 -5.6606 -5.6606 -5.5788 -5.5788 -3.5334 -3.5334 -3.4063 -3.4063 -1.0519 -1.0519 -1.0471 -1.0471 -0.9246 -0.9246 1.2816 1.2816 5.5014 5.5014 6.9762 6.9762 7.2353 7.2353 9.5858 9.5858 9.6090 9.6090 10.0797 10.0797 11.9026 11.9026 11.9244 11.9244 11.9594 11.9594 18.4426 18.4426 19.4999 19.4999 20.5666 20.5666 21.0266 21.0266 k = 0.3784 0.3784 0.3784 ( 1854 PWs) bands (ev): -6.2476 -6.2476 -5.6797 -5.6797 -5.5990 -5.5990 -3.5199 -3.5199 -3.4025 -3.4025 -1.0426 -1.0426 -1.0360 -1.0360 -0.9195 -0.9195 1.2022 1.2022 5.5402 5.5402 6.9299 6.9299 7.1900 7.1900 9.6609 9.6609 9.6818 9.6818 9.9191 9.9191 11.9240 11.9240 11.9451 11.9451 11.9827 11.9827 18.5402 18.5402 19.5830 19.5830 20.6427 20.6427 21.0357 21.0357 k = 0.3851 0.3851 0.3851 ( 1851 PWs) bands (ev): -6.2060 -6.2060 -5.6980 -5.6980 -5.6183 -5.6183 -3.5064 -3.5064 -3.3988 -3.3988 -1.0334 -1.0334 -1.0254 -1.0254 -0.9142 -0.9142 1.1254 1.1254 5.5832 5.5832 6.8849 6.8849 7.1457 7.1457 9.7329 9.7329 9.7527 9.7527 9.7601 9.7601 11.9453 11.9453 11.9658 11.9658 12.0050 12.0050 18.6347 18.6347 19.6615 19.6615 20.7195 20.7195 21.0405 21.0405 k = 0.3919 0.3919 0.3919 ( 1851 PWs) bands (ev): -6.1661 -6.1661 -5.7154 -5.7154 -5.6366 -5.6366 -3.4931 -3.4931 -3.3953 -3.3953 -1.0244 -1.0244 -1.0153 -1.0153 -0.9088 -0.9088 1.0513 1.0513 5.6301 5.6301 6.8415 6.8415 7.1026 7.1026 9.5994 9.5994 9.8052 9.8052 9.8213 9.8213 11.9665 11.9665 11.9864 11.9864 12.0264 12.0264 18.7256 18.7256 19.7357 19.7357 20.7951 20.7951 21.0397 21.0397 k = 0.3986 0.3986 0.3986 ( 1848 PWs) bands (ev): -6.1280 -6.1280 -5.7318 -5.7318 -5.6537 -5.6537 -3.4800 -3.4800 -3.3919 -3.3919 -1.0157 -1.0157 -1.0057 -1.0057 -0.9032 -0.9032 0.9802 0.9802 5.6807 5.6807 6.8003 6.8003 7.0610 7.0610 9.4417 9.4417 9.8729 9.8729 9.8872 9.8872 11.9875 11.9875 12.0069 12.0069 12.0468 12.0468 18.8127 18.8127 19.8058 19.8058 20.8666 20.8666 21.0316 21.0316 k = 0.4054 0.4054 0.4054 ( 1847 PWs) bands (ev): -6.0918 -6.0918 -5.7473 -5.7473 -5.6698 -5.6698 -3.4673 -3.4673 -3.3887 -3.3887 -1.0072 -1.0072 -0.9967 -0.9967 -0.8975 -0.8975 0.9124 0.9124 5.7348 5.7348 6.7613 6.7613 7.0212 7.0212 9.2857 9.2857 9.9375 9.9375 9.9499 9.9499 12.0084 12.0084 12.0272 12.0272 12.0662 12.0662 18.8957 18.8957 19.8720 19.8720 20.9276 20.9276 21.0148 21.0148 k = 0.4122 0.4122 0.4122 ( 1859 PWs) bands (ev): -6.0577 -6.0577 -5.7619 -5.7619 -5.6847 -5.6847 -3.4550 -3.4550 -3.3857 -3.3857 -0.9990 -0.9990 -0.9885 -0.9885 -0.8916 -0.8916 0.8480 0.8480 5.7921 5.7921 6.7251 6.7251 6.9833 6.9833 9.1319 9.1319 9.9985 9.9985 10.0092 10.0092 12.0288 12.0288 12.0473 12.0473 12.0844 12.0844 18.9741 18.9741 19.9346 19.9346 20.9629 20.9629 20.9886 20.9886 k = 0.4189 0.4189 0.4189 ( 1859 PWs) bands (ev): -6.0258 -6.0258 -5.7755 -5.7755 -5.6983 -5.6983 -3.4432 -3.4432 -3.3828 -3.3828 -0.9913 -0.9913 -0.9810 -0.9810 -0.8857 -0.8857 0.7873 0.7873 5.8522 5.8522 6.6919 6.6919 6.9476 6.9476 8.9807 8.9807 10.0557 10.0557 10.0648 10.0648 12.0489 12.0489 12.0669 12.0669 12.1015 12.1015 19.0478 19.0478 19.9936 19.9936 20.9493 20.9493 20.9534 20.9534 k = 0.4257 0.4257 0.4257 ( 1868 PWs) bands (ev): -5.9962 -5.9962 -5.7880 -5.7880 -5.7107 -5.7107 -3.4319 -3.4319 -3.3802 -3.3802 -0.9839 -0.9839 -0.9742 -0.9742 -0.8797 -0.8797 0.7304 0.7304 5.9145 5.9145 6.6622 6.6622 6.9143 6.9143 8.8327 8.8327 10.1088 10.1088 10.1165 10.1165 12.0684 12.0684 12.0861 12.0861 12.1175 12.1175 19.1166 19.1166 20.0489 20.0489 20.8962 20.8962 20.9112 20.9112 k = 0.4324 0.4324 0.4324 ( 1868 PWs) bands (ev): -5.9692 -5.9692 -5.7996 -5.7996 -5.7217 -5.7217 -3.4213 -3.4213 -3.3777 -3.3777 -0.9771 -0.9771 -0.9682 -0.9682 -0.8737 -0.8737 0.6777 0.6777 5.9782 5.9782 6.6366 6.6366 6.8834 6.8834 8.6882 8.6882 10.1578 10.1578 10.1641 10.1641 12.0871 12.0871 12.1045 12.1045 12.1323 12.1323 19.1801 19.1801 20.1003 20.1003 20.8311 20.8311 20.8645 20.8645 k = 0.4392 0.4392 0.4392 ( 1868 PWs) bands (ev): -5.9449 -5.9449 -5.8100 -5.8100 -5.7312 -5.7312 -3.4114 -3.4114 -3.3755 -3.3755 -0.9707 -0.9707 -0.9629 -0.9629 -0.8679 -0.8679 0.6293 0.6293 6.0422 6.0422 6.6158 6.6158 6.8550 6.8550 8.5480 8.5480 10.2023 10.2023 10.2075 10.2075 12.1049 12.1049 12.1221 12.1221 12.1458 12.1458 19.2382 19.2382 20.1473 20.1473 20.7665 20.7665 20.8160 20.8160 k = 0.4459 0.4459 0.4459 ( 1874 PWs) bands (ev): -5.9235 -5.9235 -5.8195 -5.8195 -5.7391 -5.7391 -3.4022 -3.4022 -3.3735 -3.3735 -0.9649 -0.9649 -0.9582 -0.9582 -0.8624 -0.8624 0.5854 0.5854 6.1047 6.1047 6.6011 6.6011 6.8294 6.8294 8.4127 8.4127 10.2423 10.2423 10.2464 10.2464 12.1215 12.1215 12.1386 12.1386 12.1582 12.1582 19.2908 19.2908 20.1889 20.1889 20.7074 20.7074 20.7681 20.7681 k = 0.4527 0.4527 0.4527 ( 1868 PWs) bands (ev): -5.9051 -5.9051 -5.8278 -5.8278 -5.7454 -5.7454 -3.3940 -3.3940 -3.3717 -3.3717 -0.9597 -0.9597 -0.9543 -0.9543 -0.8572 -0.8572 0.5461 0.5461 6.1636 6.1636 6.5941 6.5941 6.8066 6.8066 8.2833 8.2833 10.2778 10.2778 10.2809 10.2809 12.1368 12.1368 12.1538 12.1538 12.1692 12.1692 19.3378 19.3378 20.2240 20.2240 20.6565 20.6565 20.7226 20.7226 k = 0.4595 0.4595 0.4595 ( 1868 PWs) bands (ev): -5.8898 -5.8898 -5.8351 -5.8351 -5.7501 -5.7501 -3.3867 -3.3867 -3.3701 -3.3701 -0.9551 -0.9551 -0.9509 -0.9509 -0.8525 -0.8525 0.5117 0.5117 6.2156 6.2156 6.5968 6.5968 6.7866 6.7866 8.1610 8.1610 10.3086 10.3086 10.3109 10.3109 12.1504 12.1504 12.1675 12.1675 12.1790 12.1790 19.3790 19.3790 20.2513 20.2513 20.6157 20.6157 20.6811 20.6811 k = 0.4662 0.4662 0.4662 ( 1862 PWs) bands (ev): -5.8777 -5.8777 -5.8412 -5.8412 -5.7530 -5.7530 -3.3804 -3.3804 -3.3688 -3.3688 -0.9512 -0.9512 -0.9481 -0.9481 -0.8483 -0.8483 0.4823 0.4823 6.2575 6.2575 6.6109 6.6109 6.7697 6.7697 8.0475 8.0475 10.3347 10.3347 10.3362 10.3362 12.1622 12.1622 12.1796 12.1796 12.1875 12.1875 19.4142 19.4142 20.2696 20.2696 20.5862 20.5862 20.6444 20.6444 k = 0.4730 0.4730 0.4730 ( 1856 PWs) bands (ev): -5.8686 -5.8686 -5.8463 -5.8463 -5.7546 -5.7546 -3.3752 -3.3752 -3.3677 -3.3677 -0.9479 -0.9479 -0.9459 -0.9459 -0.8447 -0.8447 0.4581 0.4581 6.2875 6.2875 6.6358 6.6358 6.7557 6.7557 7.9453 7.9453 10.3560 10.3560 10.3570 10.3570 12.1719 12.1719 12.1897 12.1897 12.1948 12.1948 19.4434 19.4434 20.2788 20.2788 20.5681 20.5681 20.6135 20.6135 k = 0.4797 0.4797 0.4797 ( 1856 PWs) bands (ev): -5.8623 -5.8623 -5.8502 -5.8502 -5.7550 -5.7550 -3.3711 -3.3711 -3.3668 -3.3668 -0.9454 -0.9454 -0.9442 -0.9442 -0.8419 -0.8419 0.4391 0.4391 6.3066 6.3066 6.6675 6.6675 6.7447 6.7447 7.8577 7.8577 10.3727 10.3727 10.3732 10.3732 12.1794 12.1794 12.1978 12.1978 12.2006 12.2006 19.4663 19.4663 20.2809 20.2809 20.5594 20.5594 20.5889 20.5889 k = 0.4865 0.4865 0.4865 ( 1856 PWs) bands (ev): -5.8582 -5.8582 -5.8530 -5.8530 -5.7548 -5.7548 -3.3681 -3.3681 -3.3662 -3.3662 -0.9435 -0.9435 -0.9430 -0.9430 -0.8398 -0.8398 0.4254 0.4254 6.3174 6.3174 6.6989 6.6989 6.7369 6.7369 7.7891 7.7891 10.3845 10.3845 10.3848 10.3848 12.1848 12.1848 12.2037 12.2037 12.2049 12.2049 19.4828 19.4828 20.2790 20.2790 20.5566 20.5566 20.5711 20.5711 k = 0.4932 0.4932 0.4932 ( 1856 PWs) bands (ev): -5.8560 -5.8560 -5.8547 -5.8547 -5.7545 -5.7545 -3.3663 -3.3663 -3.3658 -3.3658 -0.9424 -0.9424 -0.9423 -0.9423 -0.8386 -0.8386 0.4172 0.4172 6.3227 6.3227 6.7221 6.7221 6.7322 6.7322 7.7448 7.7448 10.3916 10.3916 10.3917 10.3917 12.1880 12.1880 12.2073 12.2073 12.2076 12.2076 19.4928 19.4928 20.2765 20.2765 20.5565 20.5565 20.5603 20.5603 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -5.8553 -5.8553 -5.8553 -5.8553 -5.7544 -5.7544 -3.3657 -3.3657 -3.3657 -3.3657 -0.9421 -0.9421 -0.9421 -0.9421 -0.8381 -0.8381 0.4145 0.4145 6.3243 6.3243 6.7306 6.7306 6.7306 6.7306 7.7294 7.7294 10.3940 10.3940 10.3940 10.3940 12.1891 12.1891 12.2085 12.2085 12.2085 12.2085 19.4961 19.4961 20.2754 20.2754 20.5567 20.5567 20.5567 20.5567 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -5.8553 -5.8553 -5.8553 -5.8553 -5.7544 -5.7544 -3.3657 -3.3657 -3.3657 -3.3657 -0.9421 -0.9421 -0.9421 -0.9421 -0.8381 -0.8381 0.4145 0.4145 6.3243 6.3243 6.7306 6.7306 6.7306 6.7306 7.7294 7.7294 10.3940 10.3940 10.3940 10.3940 12.1891 12.1891 12.2085 12.2085 12.2085 12.2085 19.4961 19.4961 20.2754 20.2754 20.5567 20.5567 20.5567 20.5567 k = 0.4918 0.5000 0.4918 ( 1856 PWs) bands (ev): -5.8559 -5.8559 -5.8548 -5.8548 -5.7545 -5.7545 -3.3663 -3.3663 -3.3658 -3.3658 -0.9425 -0.9425 -0.9423 -0.9423 -0.8386 -0.8386 0.4172 0.4172 6.3228 6.3228 6.7221 6.7221 6.7323 6.7323 7.7445 7.7445 10.3906 10.3906 10.3929 10.3929 12.1880 12.1880 12.2071 12.2071 12.2078 12.2078 19.4928 19.4928 20.2765 20.2765 20.5566 20.5566 20.5600 20.5600 k = 0.4836 0.5000 0.4836 ( 1856 PWs) bands (ev): -5.8579 -5.8579 -5.8533 -5.8533 -5.7549 -5.7549 -3.3680 -3.3680 -3.3662 -3.3662 -0.9437 -0.9437 -0.9428 -0.9428 -0.8398 -0.8398 0.4252 0.4252 6.3175 6.3175 6.6991 6.6991 6.7373 6.7373 7.7880 7.7880 10.3803 10.3803 10.3893 10.3893 12.1848 12.1848 12.2032 12.2032 12.2057 12.2057 19.4831 19.4831 20.2792 20.2792 20.5568 20.5568 20.5703 20.5703 k = 0.4754 0.5000 0.4754 ( 1856 PWs) bands (ev): -5.8613 -5.8613 -5.8510 -5.8510 -5.7551 -5.7551 -3.3708 -3.3708 -3.3669 -3.3669 -0.9457 -0.9457 -0.9438 -0.9438 -0.8418 -0.8418 0.4386 0.4386 6.3067 6.3067 6.6679 6.6679 6.7456 6.7456 7.8553 7.8553 10.3632 10.3632 10.3835 10.3835 12.1790 12.1790 12.1969 12.1969 12.2024 12.2024 19.4669 19.4669 20.2821 20.2821 20.5581 20.5581 20.5880 20.5880 k = 0.4672 0.5000 0.4672 ( 1856 PWs) bands (ev): -5.8666 -5.8666 -5.8478 -5.8478 -5.7550 -5.7550 -3.3748 -3.3748 -3.3678 -3.3678 -0.9486 -0.9486 -0.9451 -0.9451 -0.8446 -0.8446 0.4573 0.4573 6.2873 6.2873 6.6365 6.6365 6.7572 6.7572 7.9413 7.9413 10.3393 10.3393 10.3754 10.3754 12.1704 12.1704 12.1888 12.1888 12.1980 12.1980 19.4446 19.4446 20.2829 20.2829 20.5615 20.5615 20.6140 20.6140 k = 0.4590 0.5000 0.4590 ( 1864 PWs) bands (ev): -5.8741 -5.8741 -5.8439 -5.8439 -5.7539 -5.7539 -3.3798 -3.3798 -3.3690 -3.3690 -0.9522 -0.9522 -0.9468 -0.9468 -0.8481 -0.8481 0.4811 0.4811 6.2566 6.2566 6.6120 6.6120 6.7722 6.7722 8.0416 8.0416 10.3086 10.3086 10.3649 10.3649 12.1586 12.1586 12.1789 12.1789 12.1926 12.1926 19.4164 19.4164 20.2794 20.2794 20.5682 20.5682 20.6490 20.6490 k = 0.4508 0.5000 0.4508 ( 1868 PWs) bands (ev): -5.8839 -5.8839 -5.8394 -5.8394 -5.7515 -5.7515 -3.3859 -3.3859 -3.3705 -3.3705 -0.9566 -0.9566 -0.9490 -0.9490 -0.8522 -0.8522 0.5101 0.5101 6.2134 6.2134 6.5986 6.5986 6.7905 6.7905 8.1528 8.1528 10.2712 10.2712 10.3521 10.3521 12.1440 12.1440 12.1675 12.1675 12.1864 12.1864 19.3827 19.3827 20.2698 20.2698 20.5784 20.5784 20.6939 20.6939 k = 0.4426 0.5000 0.4426 ( 1872 PWs) bands (ev): -5.8962 -5.8962 -5.8345 -5.8345 -5.7474 -5.7474 -3.3930 -3.3930 -3.3722 -3.3722 -0.9619 -0.9619 -0.9515 -0.9515 -0.8569 -0.8569 0.5440 0.5440 6.1597 6.1597 6.5968 6.5968 6.8122 6.8122 8.2727 8.2727 10.2272 10.2272 10.3371 10.3371 12.1268 12.1268 12.1543 12.1543 12.1793 12.1793 19.3438 19.3438 20.2535 20.2535 20.5919 20.5919 20.7487 20.7487 k = 0.4344 0.5000 0.4344 ( 1872 PWs) bands (ev): -5.9111 -5.9111 -5.8294 -5.8294 -5.7413 -5.7413 -3.4009 -3.4009 -3.3742 -3.3742 -0.9679 -0.9679 -0.9545 -0.9545 -0.8621 -0.8621 0.5827 0.5827 6.0985 6.0985 6.6048 6.6048 6.8373 6.8373 8.3994 8.3994 10.1767 10.1767 10.3198 10.3198 12.1076 12.1076 12.1394 12.1394 12.1712 12.1712 19.3000 19.3000 20.2308 20.2308 20.6077 20.6077 20.8132 20.8132 k = 0.4262 0.5000 0.4262 ( 1864 PWs) bands (ev): -5.9285 -5.9285 -5.8241 -5.8241 -5.7332 -5.7332 -3.4098 -3.4098 -3.3763 -3.3763 -0.9746 -0.9746 -0.9578 -0.9578 -0.8677 -0.8677 0.6262 0.6262 6.0331 6.0331 6.6204 6.6204 6.8658 6.8658 8.5317 8.5317 10.1199 10.1199 10.3004 10.3004 12.0867 12.0867 12.1225 12.1225 12.1622 12.1622 19.2517 19.2517 20.2022 20.2022 20.6246 20.6246 20.8867 20.8867 k = 0.4180 0.5000 0.4180 ( 1864 PWs) bands (ev): -5.9482 -5.9482 -5.8189 -5.8189 -5.7231 -5.7231 -3.4194 -3.4194 -3.3788 -3.3788 -0.9821 -0.9821 -0.9617 -0.9617 -0.8736 -0.8736 0.6741 0.6741 5.9657 5.9657 6.6421 6.6421 6.8976 6.8976 8.6688 8.6688 10.0569 10.0569 10.2787 10.2787 12.0644 12.0644 12.1037 12.1037 12.1523 12.1523 19.1991 19.1991 20.1686 20.1686 20.6408 20.6408 20.9674 20.9674 k = 0.4098 0.5000 0.4098 ( 1852 PWs) bands (ev): -5.9700 -5.9700 -5.8139 -5.8139 -5.7108 -5.7108 -3.4298 -3.4298 -3.3814 -3.3814 -0.9903 -0.9903 -0.9659 -0.9659 -0.8797 -0.8797 0.7265 0.7265 5.8981 5.8981 6.6686 6.6686 6.9328 6.9328 8.8097 8.8097 9.9880 9.9880 10.2550 10.2550 12.0411 12.0411 12.0830 12.0830 12.1414 12.1414 19.1427 19.1427 20.1308 20.1308 20.6545 20.6545 21.0527 21.0527 k = 0.4016 0.5000 0.4016 ( 1844 PWs) bands (ev): -5.9939 -5.9939 -5.8089 -5.8089 -5.6966 -5.6966 -3.4409 -3.4409 -3.3843 -3.3843 -0.9991 -0.9991 -0.9706 -0.9706 -0.8860 -0.8860 0.7831 0.7831 5.8311 5.8311 6.6991 6.6991 6.9714 6.9714 8.9541 8.9541 9.9135 9.9135 10.2291 10.2291 12.0171 12.0171 12.0603 12.0603 12.1294 12.1294 19.0828 19.0828 20.0895 20.0895 20.6634 20.6634 21.1340 21.1340 k = 0.3934 0.5000 0.3934 ( 1844 PWs) bands (ev): -6.0195 -6.0195 -5.8042 -5.8042 -5.6805 -5.6805 -3.4525 -3.4525 -3.3873 -3.3873 -1.0086 -1.0086 -0.9758 -0.9758 -0.8924 -0.8924 0.8437 0.8437 5.7656 5.7656 6.7330 6.7330 7.0134 7.0134 9.1012 9.1012 9.8337 9.8337 10.2012 10.2012 11.9924 11.9924 12.0356 12.0356 12.1164 12.1164 19.0195 19.0195 20.0451 20.0451 20.6647 20.6647 21.1841 21.1841 k = 0.3852 0.5000 0.3852 ( 1844 PWs) bands (ev): -6.0468 -6.0468 -5.7997 -5.7997 -5.6626 -5.6626 -3.4646 -3.4646 -3.3906 -3.3906 -1.0186 -1.0186 -0.9815 -0.9815 -0.8988 -0.8988 0.9082 0.9082 5.7021 5.7021 6.7700 6.7700 7.0586 7.0586 9.2507 9.2507 9.7488 9.7488 10.1714 10.1714 11.9674 11.9674 12.0089 12.0089 12.1024 12.1024 18.9534 18.9534 19.9982 19.9982 20.6557 20.6557 21.1877 21.1877 k = 0.3770 0.5000 0.3770 ( 1846 PWs) bands (ev): -6.0756 -6.0756 -5.7954 -5.7954 -5.6431 -5.6431 -3.4772 -3.4772 -3.3941 -3.3941 -1.0290 -1.0290 -0.9875 -0.9875 -0.9052 -0.9052 0.9764 0.9764 5.6410 5.6410 6.8097 6.8097 7.1070 7.1070 9.4022 9.4022 9.6594 9.6594 10.1397 10.1397 11.9422 11.9422 11.9802 11.9802 12.0873 12.0873 18.8845 18.8845 19.9492 19.9492 20.6341 20.6341 21.1754 21.1754 k = 0.3689 0.5000 0.3689 ( 1846 PWs) bands (ev): -6.1056 -6.1056 -5.7913 -5.7913 -5.6219 -5.6219 -3.4901 -3.4901 -3.3977 -3.3977 -1.0399 -1.0399 -0.9940 -0.9940 -0.9115 -0.9115 1.0481 1.0481 5.5824 5.5824 6.8519 6.8519 7.1585 7.1585 9.5550 9.5550 9.5658 9.5658 10.1063 10.1063 11.9169 11.9169 11.9496 11.9496 12.0711 12.0711 18.8134 18.8134 19.8986 19.8986 20.5989 20.5989 21.1618 21.1618 k = 0.3607 0.5000 0.3607 ( 1842 PWs) bands (ev): -6.1369 -6.1369 -5.7875 -5.7875 -5.5992 -5.5992 -3.5032 -3.5032 -3.4015 -3.4015 -1.0511 -1.0511 -1.0009 -1.0009 -0.9178 -0.9178 1.1232 1.1232 5.5265 5.5265 6.8964 6.8964 7.2129 7.2129 9.4680 9.4680 9.7093 9.7093 10.0713 10.0713 11.8914 11.8914 11.9171 11.9171 12.0539 12.0539 18.7402 18.7402 19.8466 19.8466 20.5506 20.5506 21.1492 21.1492 k = 0.3525 0.5000 0.3525 ( 1842 PWs) bands (ev): -6.1691 -6.1691 -5.7840 -5.7840 -5.5751 -5.5751 -3.5166 -3.5166 -3.4055 -3.4055 -1.0625 -1.0625 -1.0082 -1.0082 -0.9240 -0.9240 1.2015 1.2015 5.4735 5.4735 6.9430 6.9430 7.2702 7.2702 9.3670 9.3670 9.8641 9.8641 10.0348 10.0348 11.8653 11.8653 11.8833 11.8833 12.0357 12.0357 18.6653 18.6653 19.7937 19.7937 20.4907 20.4907 21.1370 21.1370 k = 0.3443 0.5000 0.3443 ( 1852 PWs) bands (ev): -6.2023 -6.2023 -5.7809 -5.7809 -5.5495 -5.5495 -3.5301 -3.5301 -3.4097 -3.4097 -1.0740 -1.0740 -1.0158 -1.0158 -0.9303 -0.9303 1.2829 1.2829 5.4235 5.4235 6.9915 6.9915 7.3299 7.3299 9.2629 9.2629 9.9954 9.9954 10.0207 10.0207 11.8368 11.8368 11.8500 11.8500 12.0163 12.0163 18.5890 18.5890 19.7401 19.7401 20.4214 20.4214 21.1243 21.1243 k = 0.3361 0.5000 0.3361 ( 1852 PWs) bands (ev): -6.2361 -6.2361 -5.7781 -5.7781 -5.5227 -5.5227 -3.5435 -3.5435 -3.4141 -3.4141 -1.0856 -1.0856 -1.0238 -1.0238 -0.9364 -0.9364 1.3672 1.3672 5.3765 5.3765 7.0419 7.0419 7.3920 7.3920 9.1561 9.1561 9.9575 9.9575 10.1748 10.1748 11.8018 11.8018 11.8215 11.8215 11.9959 11.9959 18.5117 18.5117 19.6861 19.6861 20.3445 20.3445 21.1108 21.1108 k = 0.3279 0.5000 0.3279 ( 1852 PWs) bands (ev): -6.2706 -6.2706 -5.7757 -5.7757 -5.4945 -5.4945 -3.5569 -3.5569 -3.4186 -3.4186 -1.0971 -1.0971 -1.0320 -1.0320 -0.9426 -0.9426 1.4542 1.4542 5.3325 5.3325 7.0941 7.0941 7.4561 7.4561 9.0471 9.0471 9.9176 9.9176 10.3294 10.3294 11.7619 11.7619 11.7960 11.7960 11.9743 11.9743 18.4337 18.4337 19.6319 19.6319 20.2618 20.2618 21.0963 21.0963 k = 0.3197 0.5000 0.3197 ( 1852 PWs) bands (ev): -6.3056 -6.3056 -5.7738 -5.7738 -5.4652 -5.4652 -3.5702 -3.5702 -3.4233 -3.4233 -1.1085 -1.1085 -1.0404 -1.0404 -0.9487 -0.9487 1.5439 1.5439 5.2915 5.2915 7.1480 7.1480 7.5218 7.5218 8.9361 8.9361 9.8770 9.8770 10.4829 10.4829 11.7193 11.7193 11.7716 11.7716 11.9517 11.9517 18.3554 18.3554 19.5779 19.5779 20.1748 20.1748 21.0812 21.0812 k = 0.3115 0.5000 0.3115 ( 1844 PWs) bands (ev): -6.3409 -6.3409 -5.7725 -5.7725 -5.4347 -5.4347 -3.5833 -3.5833 -3.4281 -3.4281 -1.1198 -1.1198 -1.0490 -1.0490 -0.9548 -0.9548 1.6360 1.6360 5.2537 5.2537 7.2034 7.2034 7.5887 7.5887 8.8236 8.8236 9.8362 9.8362 10.6350 10.6350 11.6746 11.6746 11.7477 11.7477 11.9281 11.9281 18.2772 18.2772 19.5243 19.5243 20.0846 20.0846 21.0656 21.0656 k = 0.3033 0.5000 0.3033 ( 1844 PWs) bands (ev): -6.3764 -6.3764 -5.7716 -5.7716 -5.4031 -5.4031 -3.5962 -3.5962 -3.4331 -3.4331 -1.1307 -1.1307 -1.0578 -1.0578 -0.9609 -0.9609 1.7305 1.7305 5.2188 5.2188 7.2604 7.2604 7.6562 7.6562 8.7100 8.7100 9.7956 9.7956 10.7846 10.7846 11.6283 11.6283 11.7242 11.7242 11.9033 11.9033 18.1992 18.1992 19.4711 19.4711 19.9923 19.9923 21.0497 21.0497 k = 0.2951 0.5000 0.2951 ( 1844 PWs) bands (ev): -6.4121 -6.4121 -5.7713 -5.7713 -5.3704 -5.3704 -3.6087 -3.6087 -3.4382 -3.4382 -1.1413 -1.1413 -1.0668 -1.0668 -0.9671 -0.9671 1.8271 1.8271 5.1870 5.1870 7.3188 7.3188 7.7237 7.7237 8.5955 8.5955 9.7556 9.7556 10.9309 10.9309 11.5808 11.5808 11.7011 11.7011 11.8775 11.8775 18.1218 18.1218 19.4185 19.4185 19.8991 19.8991 21.0337 21.0337 k = 0.2869 0.5000 0.2869 ( 1844 PWs) bands (ev): -6.4479 -6.4479 -5.7717 -5.7717 -5.3368 -5.3368 -3.6208 -3.6208 -3.4435 -3.4435 -1.1515 -1.1515 -1.0758 -1.0758 -0.9733 -0.9733 1.9259 1.9259 5.1582 5.1582 7.3785 7.3785 7.7904 7.7904 8.4805 8.4805 9.7171 9.7171 11.0718 11.0718 11.5338 11.5338 11.6785 11.6785 11.8505 11.8505 18.0453 18.0453 19.3668 19.3668 19.8057 19.8057 21.0178 21.0178 k = 0.2787 0.5000 0.2787 ( 1842 PWs) bands (ev): -6.4835 -6.4835 -5.7726 -5.7726 -5.3022 -5.3022 -3.6325 -3.6325 -3.4489 -3.4489 -1.1613 -1.1613 -1.0848 -1.0848 -0.9795 -0.9795 2.0266 2.0266 5.1324 5.1324 7.4394 7.4394 7.8555 7.8555 8.3654 8.3654 9.6808 9.6808 11.2014 11.2014 11.4928 11.4928 11.6562 11.6562 11.8226 11.8226 17.9698 17.9698 19.3159 19.3159 19.7133 19.7133 21.0020 21.0020 k = 0.2705 0.5000 0.2705 ( 1854 PWs) bands (ev): -6.5190 -6.5190 -5.7742 -5.7742 -5.2668 -5.2668 -3.6437 -3.6437 -3.4545 -3.4545 -1.1706 -1.1706 -1.0939 -1.0939 -0.9858 -0.9858 2.1292 2.1292 5.1095 5.1095 7.5015 7.5015 7.9177 7.9177 8.2504 8.2504 9.6476 9.6476 11.2937 11.2937 11.4832 11.4832 11.6343 11.6343 11.7935 11.7935 17.8955 17.8955 19.2660 19.2660 19.6225 19.6225 20.9864 20.9864 k = 0.2623 0.5000 0.2623 ( 1856 PWs) bands (ev): -6.5543 -6.5543 -5.7765 -5.7765 -5.2305 -5.2305 -3.6544 -3.6544 -3.4602 -3.4602 -1.1794 -1.1794 -1.1030 -1.1030 -0.9921 -0.9921 2.2335 2.2335 5.0894 5.0894 7.5647 7.5647 7.9756 7.9756 8.1360 8.1360 9.6188 9.6188 11.2994 11.2994 11.5536 11.5536 11.6131 11.6131 11.7634 11.7634 17.8224 17.8224 19.2172 19.2172 19.5344 19.5344 20.9712 20.9712 k = 0.2541 0.5000 0.2541 ( 1856 PWs) bands (ev): -6.5892 -6.5892 -5.7794 -5.7794 -5.1935 -5.1935 -3.6645 -3.6645 -3.4661 -3.4661 -1.1876 -1.1876 -1.1121 -1.1121 -0.9984 -0.9984 2.3394 2.3394 5.0723 5.0723 7.6287 7.6287 8.0161 8.0161 8.0341 8.0341 9.5958 9.5958 11.2560 11.2560 11.5912 11.5912 11.6670 11.6670 11.7328 11.7328 17.7505 17.7505 19.1693 19.1693 19.4501 19.4501 20.9563 20.9563 k = 0.2459 0.5000 0.2459 ( 1856 PWs) bands (ev): -6.6236 -6.6236 -5.7830 -5.7830 -5.1558 -5.1558 -3.6741 -3.6741 -3.4722 -3.4722 -1.1953 -1.1953 -1.1211 -1.1211 -1.0048 -1.0048 2.4469 2.4469 5.0579 5.0579 7.6935 7.6935 7.9082 7.9082 8.0746 8.0746 9.5801 9.5801 11.1990 11.1990 11.5708 11.5708 11.6990 11.6990 11.7881 11.7881 17.6796 17.6796 19.1223 19.1223 19.3707 19.3707 20.9419 20.9419 k = 0.2377 0.5000 0.2377 ( 1852 PWs) bands (ev): -6.6576 -6.6576 -5.7872 -5.7872 -5.1174 -5.1174 -3.6831 -3.6831 -3.4784 -3.4784 -1.2024 -1.2024 -1.1300 -1.1300 -1.0112 -1.0112 2.5558 2.5558 5.0463 5.0463 7.7589 7.7589 7.7966 7.7966 8.1111 8.1111 9.5733 9.5733 11.1363 11.1363 11.5505 11.5505 11.6661 11.6661 11.9055 11.9055 17.6095 17.6095 19.0758 19.0758 19.2976 19.2976 20.9280 20.9280 k = 0.2295 0.5000 0.2295 ( 1852 PWs) bands (ev): -6.6910 -6.6910 -5.7921 -5.7921 -5.0786 -5.0786 -3.6915 -3.6915 -3.4848 -3.4848 -1.2091 -1.2091 -1.1387 -1.1387 -1.0176 -1.0176 2.6660 2.6660 5.0374 5.0374 7.6863 7.6863 7.8244 7.8244 8.1378 8.1378 9.5767 9.5767 11.0702 11.0702 11.5308 11.5308 11.6319 11.6319 12.0191 12.0191 17.5398 17.5398 19.0289 19.0289 19.2324 19.2324 20.9145 20.9145 k = 0.2213 0.5000 0.2213 ( 1856 PWs) bands (ev): -6.7238 -6.7238 -5.7975 -5.7975 -5.0392 -5.0392 -3.6993 -3.6993 -3.4913 -3.4913 -1.2152 -1.2152 -1.1472 -1.1472 -1.0239 -1.0239 2.7775 2.7775 5.0311 5.0311 7.5776 7.5776 7.8893 7.8893 8.1539 8.1539 9.5914 9.5914 11.0015 11.0015 11.5114 11.5114 11.5966 11.5966 12.1274 12.1274 17.4702 17.4702 18.9810 18.9810 19.1770 19.1770 20.9017 20.9017 k = 0.2131 0.5000 0.2131 ( 1856 PWs) bands (ev): -6.7558 -6.7558 -5.8035 -5.8035 -4.9995 -4.9995 -3.7065 -3.7065 -3.4981 -3.4981 -1.2209 -1.2209 -1.1555 -1.1555 -1.0303 -1.0303 2.8901 2.8901 5.0273 5.0273 7.4709 7.4709 7.9520 7.9520 8.1604 8.1604 9.6179 9.6179 10.9306 10.9306 11.4926 11.4926 11.5604 11.5604 12.2298 12.2298 17.4003 17.4003 18.9314 18.9314 19.1326 19.1326 20.8896 20.8896 k = 0.2049 0.5000 0.2049 ( 1854 PWs) bands (ev): -6.7871 -6.7871 -5.8100 -5.8100 -4.9595 -4.9595 -3.7132 -3.7132 -3.5050 -3.5050 -1.2262 -1.2262 -1.1635 -1.1635 -1.0366 -1.0366 3.0038 3.0038 5.0259 5.0259 7.3663 7.3663 8.0075 8.0075 8.1621 8.1621 9.6560 9.6560 10.8579 10.8579 11.4741 11.4741 11.5232 11.5232 12.3259 12.3259 17.3298 17.3298 18.8800 18.8800 19.0999 19.0999 20.8783 20.8783 k = 0.1967 0.5000 0.1967 ( 1854 PWs) bands (ev): -6.8176 -6.8176 -5.8170 -5.8170 -4.9193 -4.9193 -3.7192 -3.7192 -3.5121 -3.5121 -1.2312 -1.2312 -1.1711 -1.1711 -1.0428 -1.0428 3.1184 3.1184 5.0270 5.0270 7.2640 7.2640 8.0408 8.0408 8.1744 8.1744 9.7048 9.7048 10.7837 10.7837 11.4561 11.4561 11.4852 11.4852 12.4155 12.4155 17.2583 17.2583 18.8278 18.8278 19.0787 19.0787 20.8680 20.8680 k = 0.1885 0.5000 0.1885 ( 1858 PWs) bands (ev): -6.8471 -6.8471 -5.8244 -5.8244 -4.8789 -4.8789 -3.7248 -3.7248 -3.5194 -3.5194 -1.2360 -1.2360 -1.1783 -1.1783 -1.0490 -1.0490 3.2340 3.2340 5.0303 5.0303 7.1642 7.1642 8.0356 8.0356 8.2147 8.2147 9.7631 9.7631 10.7083 10.7083 11.4373 11.4373 11.4476 11.4476 12.4985 12.4985 17.1857 17.1857 18.7754 18.7754 19.0681 19.0681 20.8587 20.8587 k = 0.1803 0.5000 0.1803 ( 1856 PWs) bands (ev): -6.8758 -6.8758 -5.8322 -5.8322 -4.8385 -4.8385 -3.7298 -3.7298 -3.5269 -3.5269 -1.2408 -1.2408 -1.1848 -1.1848 -1.0550 -1.0550 3.3503 3.3503 5.0357 5.0357 7.0672 7.0672 8.0028 8.0028 8.2732 8.2732 9.8294 9.8294 10.6319 10.6319 11.4045 11.4045 11.4238 11.4238 12.5749 12.5749 17.1118 17.1118 18.7237 18.7237 19.0674 19.0674 20.8506 20.8506 k = 0.1721 0.5000 0.1721 ( 1852 PWs) bands (ev): -6.9035 -6.9035 -5.8402 -5.8402 -4.7981 -4.7981 -3.7343 -3.7343 -3.5346 -3.5346 -1.2456 -1.2456 -1.1907 -1.1907 -1.0609 -1.0609 3.4674 3.4674 5.0432 5.0432 6.9730 6.9730 7.9549 7.9549 8.3382 8.3382 9.9022 9.9022 10.5551 10.5551 11.3641 11.3641 11.4071 11.4071 12.6447 12.6447 17.0367 17.0367 18.6730 18.6730 19.0758 19.0758 20.8439 20.8439 k = 0.1639 0.5000 0.1639 ( 1852 PWs) bands (ev): -6.9301 -6.9301 -5.8485 -5.8485 -4.7580 -4.7580 -3.7383 -3.7383 -3.5425 -3.5425 -1.2505 -1.2505 -1.1959 -1.1959 -1.0666 -1.0666 3.5852 3.5852 5.0525 5.0525 6.8820 6.8820 7.8971 7.8971 8.4058 8.4058 9.9799 9.9799 10.4781 10.4781 11.3226 11.3226 11.3915 11.3915 12.7082 12.7082 16.9606 16.9606 18.6237 18.6237 19.0926 19.0926 20.8389 20.8389 k = 0.1557 0.5000 0.1557 ( 1856 PWs) bands (ev): -6.9557 -6.9557 -5.8569 -5.8569 -4.7181 -4.7181 -3.7420 -3.7420 -3.5506 -3.5506 -1.2557 -1.2557 -1.2003 -1.2003 -1.0720 -1.0720 3.7035 3.7035 5.0637 5.0637 6.7942 6.7942 7.8318 7.8318 8.4744 8.4744 10.0609 10.0609 10.4018 10.4018 11.2803 11.2803 11.3766 11.3766 12.7655 12.7655 16.8836 16.8836 18.5757 18.5757 19.1168 19.1168 20.8358 20.8358 k = 0.1475 0.5000 0.1475 ( 1868 PWs) bands (ev): -6.9802 -6.9802 -5.8655 -5.8655 -4.6785 -4.6785 -3.7452 -3.7452 -3.5589 -3.5589 -1.2611 -1.2611 -1.2039 -1.2039 -1.0773 -1.0773 3.8223 3.8223 5.0763 5.0763 6.7099 6.7099 7.7604 7.7604 8.5434 8.5434 10.1420 10.1420 10.3284 10.3284 11.2373 11.2373 11.3623 11.3623 12.8170 12.8170 16.8062 16.8062 18.5292 18.5292 19.1474 19.1474 20.8347 20.8347 k = 0.1393 0.5000 0.1393 ( 1868 PWs) bands (ev): -7.0036 -7.0036 -5.8740 -5.8740 -4.6395 -4.6395 -3.7481 -3.7481 -3.5674 -3.5674 -1.2669 -1.2669 -1.2067 -1.2067 -1.0823 -1.0823 3.9415 3.9415 5.0905 5.0905 6.6291 6.6291 7.6838 7.6838 8.6122 8.6122 10.2014 10.2014 10.2792 10.2792 11.1937 11.1937 11.3487 11.3487 12.8629 12.8629 16.7287 16.7287 18.4842 18.4842 19.1832 19.1832 20.8360 20.8360 k = 0.1311 0.5000 0.1311 ( 1864 PWs) bands (ev): -7.0257 -7.0257 -5.8825 -5.8825 -4.6011 -4.6011 -3.7508 -3.7508 -3.5760 -3.5760 -1.2728 -1.2728 -1.2088 -1.2088 -1.0870 -1.0870 4.0611 4.0611 5.1058 5.1058 6.5521 6.5521 7.6027 7.6027 8.6806 8.6806 10.1586 10.1586 10.3340 10.3340 11.1496 11.1496 11.3359 11.3359 12.9037 12.9037 16.6516 16.6516 18.4409 18.4409 19.2231 19.2231 20.8399 20.8399 k = 0.1230 0.5000 0.1230 ( 1864 PWs) bands (ev): -7.0467 -7.0467 -5.8909 -5.8909 -4.5634 -4.5634 -3.7531 -3.7531 -3.5849 -3.5849 -1.2788 -1.2788 -1.2104 -1.2104 -1.0914 -1.0914 4.1810 4.1810 5.1222 5.1222 6.4790 6.4790 7.5179 7.5179 8.7484 8.7484 10.0890 10.0890 10.4171 10.4171 11.1052 11.1052 11.3237 11.3237 12.9398 12.9398 16.5754 16.5754 18.3992 18.3992 19.2656 19.2656 20.8466 20.8466 k = 0.1148 0.5000 0.1148 ( 1868 PWs) bands (ev): -7.0665 -7.0665 -5.8991 -5.8991 -4.5267 -4.5267 -3.7552 -3.7552 -3.5939 -3.5939 -1.2849 -1.2849 -1.2116 -1.2116 -1.0954 -1.0954 4.3010 4.3010 5.1393 5.1393 6.4099 6.4099 7.4295 7.4295 8.8152 8.8152 10.0184 10.0184 10.5022 10.5022 11.0605 11.0605 11.3122 11.3122 12.9715 12.9715 16.5005 16.5005 18.3592 18.3592 19.3096 19.3096 20.8563 20.8563 k = 0.1066 0.5000 0.1066 ( 1856 PWs) bands (ev): -7.0850 -7.0850 -5.9070 -5.9070 -4.4909 -4.4909 -3.7572 -3.7572 -3.6030 -3.6030 -1.2910 -1.2910 -1.2124 -1.2124 -1.0991 -1.0991 4.4212 4.4212 5.1570 5.1570 6.3450 6.3450 7.3382 7.3382 8.8806 8.8806 9.9496 9.9496 10.5864 10.5864 11.0158 11.0158 11.3015 11.3015 12.9992 12.9992 16.4274 16.4274 18.3212 18.3212 19.3538 19.3538 20.8691 20.8691 k = 0.0984 0.5000 0.0984 ( 1856 PWs) bands (ev): -7.1022 -7.1022 -5.9146 -5.9146 -4.4564 -4.4564 -3.7590 -3.7590 -3.6121 -3.6121 -1.2969 -1.2969 -1.2129 -1.2129 -1.1024 -1.1024 4.5414 4.5414 5.1750 5.1750 6.2843 6.2843 7.2441 7.2441 8.9445 8.9445 9.8834 9.8834 10.6685 10.6685 10.9712 10.9712 11.2916 11.2916 13.0233 13.0233 16.3568 16.3568 18.2851 18.2851 19.3971 19.3971 20.8849 20.8849 k = 0.0902 0.5000 0.0902 ( 1858 PWs) bands (ev): -7.1181 -7.1181 -5.9219 -5.9219 -4.4232 -4.4232 -3.7608 -3.7608 -3.6213 -3.6213 -1.3027 -1.3027 -1.2133 -1.2133 -1.1054 -1.1054 4.6615 4.6615 5.1930 5.1930 6.2281 6.2281 7.1475 7.1475 9.0064 9.0064 9.8206 9.8206 10.7476 10.7476 10.9270 10.9270 11.2825 11.2825 13.0442 13.0442 16.2890 16.2890 18.2512 18.2512 19.4384 19.4384 20.9034 20.9034 k = 0.0820 0.5000 0.0820 ( 1862 PWs) bands (ev): -7.1327 -7.1327 -5.9287 -5.9287 -4.3916 -4.3916 -3.7625 -3.7625 -3.6303 -3.6303 -1.3082 -1.3082 -1.2135 -1.2135 -1.1080 -1.1080 4.7816 4.7816 5.2108 5.2108 6.1764 6.1764 7.0486 7.0486 9.0657 9.0657 9.7617 9.7617 10.8229 10.8229 10.8835 10.8835 11.2741 11.2741 13.0621 13.0621 16.2247 16.2247 18.2194 18.2194 19.4769 19.4769 20.9245 20.9245 k = 0.0738 0.5000 0.0738 ( 1858 PWs) bands (ev): -7.1460 -7.1460 -5.9350 -5.9350 -4.3617 -4.3617 -3.7641 -3.7641 -3.6391 -3.6391 -1.3133 -1.3133 -1.2137 -1.2137 -1.1102 -1.1102 4.9014 4.9014 5.2280 5.2280 6.1293 6.1293 6.9477 6.9477 9.1219 9.1219 9.7074 9.7074 10.8409 10.8409 10.8939 10.8939 11.2666 11.2666 13.0774 13.0774 16.1643 16.1643 18.1902 18.1902 19.5122 19.5122 20.9475 20.9475 k = 0.0656 0.5000 0.0656 ( 1858 PWs) bands (ev): -7.1579 -7.1579 -5.9408 -5.9408 -4.3338 -4.3338 -3.7658 -3.7658 -3.6476 -3.6476 -1.3181 -1.3181 -1.2138 -1.2138 -1.1121 -1.1121 5.0209 5.0209 5.2444 5.2444 6.0869 6.0869 6.8448 6.8448 9.1743 9.1743 9.6585 9.6585 10.8000 10.8000 10.9594 10.9594 11.2600 11.2600 13.0904 13.0904 16.1085 16.1085 18.1635 18.1635 19.5436 19.5436 20.9717 20.9717 k = 0.0574 0.5000 0.0574 ( 1858 PWs) bands (ev): -7.1684 -7.1684 -5.9461 -5.9461 -4.3082 -4.3082 -3.7676 -3.7676 -3.6556 -3.6556 -1.3225 -1.3225 -1.2139 -1.2139 -1.1136 -1.1136 5.1401 5.1401 5.2598 5.2598 6.0493 6.0493 6.7403 6.7403 9.2218 9.2218 9.6157 9.6157 10.7611 10.7611 11.0190 11.0190 11.2544 11.2544 13.1013 13.1013 16.0576 16.0576 18.1396 18.1396 19.5711 19.5711 20.9963 20.9963 k = 0.0492 0.5000 0.0492 ( 1858 PWs) bands (ev): -7.1776 -7.1776 -5.9507 -5.9507 -4.2850 -4.2850 -3.7693 -3.7693 -3.6629 -3.6629 -1.3263 -1.3263 -1.2140 -1.2140 -1.1149 -1.1149 5.2587 5.2587 5.2738 5.2738 6.0166 6.0166 6.6341 6.6341 9.2632 9.2632 9.5802 9.5802 10.7249 10.7249 11.0719 11.0719 11.2498 11.2498 13.1104 13.1104 16.0123 16.0123 18.1185 18.1185 19.5946 19.5946 21.0203 21.0203 k = 0.0410 0.5000 0.0410 ( 1862 PWs) bands (ev): -7.1854 -7.1854 -5.9546 -5.9546 -4.2647 -4.2647 -3.7711 -3.7711 -3.6695 -3.6695 -1.3297 -1.3297 -1.2141 -1.2141 -1.1159 -1.1159 5.2860 5.2860 5.3767 5.3767 5.9889 5.9889 6.5265 6.5265 9.2969 9.2969 9.5529 9.5529 10.6920 10.6920 11.1172 11.1172 11.2466 11.2466 13.1177 13.1177 15.9729 15.9729 18.1004 18.1004 19.6140 19.6140 21.0428 21.0428 k = 0.0328 0.5000 0.0328 ( 1862 PWs) bands (ev): -7.1918 -7.1918 -5.9579 -5.9579 -4.2475 -4.2475 -3.7728 -3.7728 -3.6750 -3.6750 -1.3325 -1.3325 -1.2142 -1.2142 -1.1166 -1.1166 5.2964 5.2964 5.4938 5.4938 5.9664 5.9664 6.4178 6.4178 9.3213 9.3213 9.5350 9.5350 10.6634 10.6634 11.1540 11.1540 11.2450 11.2450 13.1235 13.1235 15.9401 15.9401 18.0855 18.0855 19.6296 19.6296 21.0628 21.0628 k = 0.0246 0.5000 0.0246 ( 1856 PWs) bands (ev): -7.1967 -7.1967 -5.9605 -5.9605 -4.2337 -4.2337 -3.7743 -3.7743 -3.6795 -3.6795 -1.3347 -1.3347 -1.2143 -1.2143 -1.1172 -1.1172 5.3048 5.3048 5.6095 5.6095 5.9492 5.9492 6.3081 6.3081 9.3361 9.3361 9.5263 9.5263 10.6399 10.6399 11.1811 11.1811 11.2458 11.2458 13.1279 13.1279 15.9140 15.9140 18.0737 18.0737 19.6415 19.6415 21.0794 21.0794 k = 0.0164 0.5000 0.0164 ( 1856 PWs) bands (ev): -7.2003 -7.2003 -5.9623 -5.9623 -4.2235 -4.2235 -3.7755 -3.7755 -3.6827 -3.6827 -1.3363 -1.3363 -1.2144 -1.2144 -1.1176 -1.1176 5.3109 5.3109 5.7224 5.7224 5.9383 5.9383 6.1980 6.1980 9.3431 9.3431 9.5242 9.5242 10.6224 10.6224 11.1979 11.1979 11.2493 11.2493 13.1310 13.1310 15.8952 15.8952 18.0653 18.0653 19.6498 19.6498 21.0918 21.0918 k = 0.0082 0.5000 0.0082 ( 1848 PWs) bands (ev): -7.2024 -7.2024 -5.9634 -5.9634 -4.2174 -4.2174 -3.7763 -3.7763 -3.6847 -3.6847 -1.3373 -1.3373 -1.2144 -1.2144 -1.1178 -1.1178 5.3146 5.3146 5.8256 5.8256 5.9389 5.9389 6.0895 6.0895 9.3455 9.3455 9.5251 9.5251 10.6115 10.6115 11.2059 11.2059 11.2537 11.2537 13.1328 13.1328 15.8838 15.8838 18.0602 18.0602 19.6548 19.6548 21.0995 21.0995 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.2031 -7.2031 -5.9638 -5.9638 -4.2153 -4.2153 -3.7766 -3.7766 -3.6853 -3.6853 -1.3376 -1.3376 -1.2144 -1.2144 -1.1179 -1.1179 5.3158 5.3158 5.8754 5.8754 5.9751 5.9751 6.0019 6.0019 9.3460 9.3460 9.5258 9.5258 10.6078 10.6078 11.2081 11.2081 11.2556 11.2556 13.1334 13.1334 15.8800 15.8800 18.0585 18.0585 19.6565 19.6565 21.1021 21.1021 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -6.2585 -6.2585 -5.6579 -5.6579 -5.6570 -5.6570 -3.7762 -3.7762 -3.5089 -3.5089 -1.2882 -1.2882 -1.2045 -1.2045 -0.9281 -0.9281 3.3494 3.3494 4.5024 4.5024 6.3167 6.3167 8.7113 8.7113 8.9396 8.9396 10.2568 10.2568 10.3043 10.3043 10.3655 10.3655 12.2885 12.2885 12.6703 12.6703 17.4087 17.4087 19.5260 19.5260 19.5466 19.5466 20.9243 20.9243 k = 0.5000 0.5000 0.0116 ( 1852 PWs) bands (ev): -6.2580 -6.2580 -5.6581 -5.6581 -5.6573 -5.6573 -3.7757 -3.7757 -3.5087 -3.5087 -1.2878 -1.2878 -1.2041 -1.2041 -0.9280 -0.9280 3.3414 3.3414 4.5037 4.5037 6.3260 6.3260 8.7046 8.7046 8.9329 8.9329 10.2630 10.2630 10.3106 10.3106 10.3656 10.3656 12.2884 12.2884 12.6629 12.6629 17.4128 17.4128 19.5295 19.5295 19.5484 19.5484 20.9241 20.9241 k = 0.5000 0.5000 0.0233 ( 1852 PWs) bands (ev): -6.2565 -6.2565 -5.6586 -5.6586 -5.6583 -5.6583 -3.7739 -3.7739 -3.5081 -3.5081 -1.2865 -1.2865 -1.2029 -1.2029 -0.9280 -0.9280 3.3177 3.3177 4.5076 4.5076 6.3535 6.3535 8.6849 8.6849 8.9130 8.9130 10.2813 10.2813 10.3292 10.3292 10.3660 10.3660 12.2880 12.2880 12.6408 12.6408 17.4249 17.4249 19.5400 19.5400 19.5538 19.5538 20.9234 20.9234 k = 0.5000 0.5000 0.0349 ( 1860 PWs) bands (ev): -6.2540 -6.2540 -5.6598 -5.6598 -5.6595 -5.6595 -3.7711 -3.7711 -3.5071 -3.5071 -1.2843 -1.2843 -1.2010 -1.2010 -0.9279 -0.9279 3.2791 3.2791 4.5141 4.5141 6.3984 6.3984 8.6532 8.6532 8.8811 8.8811 10.3103 10.3103 10.3589 10.3589 10.3668 10.3668 12.2875 12.2875 12.6044 12.6044 17.4447 17.4447 19.5574 19.5574 19.5628 19.5628 20.9222 20.9222 k = 0.5000 0.5000 0.0465 ( 1852 PWs) bands (ev): -6.2505 -6.2505 -5.6619 -5.6619 -5.6608 -5.6608 -3.7671 -3.7671 -3.5057 -3.5057 -1.2812 -1.2812 -1.1982 -1.1982 -0.9277 -0.9277 3.2271 3.2271 4.5232 4.5232 6.4593 6.4593 8.6108 8.6108 8.8386 8.8386 10.3461 10.3461 10.3709 10.3709 10.3983 10.3983 12.2867 12.2867 12.5543 12.5543 17.4719 17.4719 19.5754 19.5754 19.5814 19.5814 20.9205 20.9205 k = 0.5000 0.5000 0.0581 ( 1868 PWs) bands (ev): -6.2460 -6.2460 -5.6646 -5.6646 -5.6624 -5.6624 -3.7620 -3.7620 -3.5039 -3.5039 -1.2773 -1.2773 -1.1947 -1.1947 -0.9275 -0.9275 3.1633 3.1633 4.5349 4.5349 6.5344 6.5344 8.5593 8.5593 8.7874 8.7874 10.3624 10.3624 10.4028 10.4028 10.4457 10.4457 12.2856 12.2856 12.4911 12.4911 17.5057 17.5057 19.5913 19.5913 19.6119 19.6119 20.9181 20.9181 k = 0.5000 0.5000 0.0698 ( 1852 PWs) bands (ev): -6.2406 -6.2406 -5.6679 -5.6679 -5.6644 -5.6644 -3.7559 -3.7559 -3.5017 -3.5017 -1.2726 -1.2726 -1.1904 -1.1904 -0.9273 -0.9273 3.0894 3.0894 4.5492 4.5492 6.6221 6.6221 8.5004 8.5004 8.7289 8.7289 10.3646 10.3646 10.4557 10.4557 10.4994 10.4994 12.2844 12.2844 12.4159 12.4159 17.5456 17.5456 19.6107 19.6107 19.6486 19.6486 20.9154 20.9154 k = 0.5000 0.5000 0.0814 ( 1852 PWs) bands (ev): -6.2342 -6.2342 -5.6717 -5.6717 -5.6666 -5.6666 -3.7487 -3.7487 -3.4992 -3.4992 -1.2671 -1.2671 -1.1854 -1.1854 -0.9270 -0.9270 3.0072 3.0072 4.5661 4.5661 6.7205 6.7205 8.4354 8.4354 8.6647 8.6647 10.3656 10.3656 10.5152 10.5152 10.5581 10.5581 12.2830 12.2830 12.3295 12.3295 17.5908 17.5908 19.6333 19.6333 19.6910 19.6910 20.9121 20.9121 k = 0.5000 0.5000 0.0930 ( 1852 PWs) bands (ev): -6.2269 -6.2269 -5.6760 -5.6760 -5.6692 -5.6692 -3.7406 -3.7406 -3.4963 -3.4963 -1.2608 -1.2608 -1.1796 -1.1796 -0.9266 -0.9266 2.9181 2.9181 4.5857 4.5857 6.8281 6.8281 8.3656 8.3656 8.5960 8.5960 10.3664 10.3664 10.5790 10.5790 10.6206 10.6206 12.2329 12.2329 12.2813 12.2813 17.6406 17.6406 19.6591 19.6591 19.7386 19.7386 20.9082 20.9082 k = 0.5000 0.5000 0.1047 ( 1852 PWs) bands (ev): -6.2188 -6.2188 -5.6807 -5.6807 -5.6720 -5.6720 -3.7315 -3.7315 -3.4931 -3.4931 -1.2537 -1.2537 -1.1732 -1.1732 -0.9262 -0.9262 2.8237 2.8237 4.6079 4.6079 6.9434 6.9434 8.2921 8.2921 8.5240 8.5240 10.3671 10.3671 10.6459 10.6459 10.6857 10.6857 12.1272 12.1272 12.2795 12.2795 17.6943 17.6943 19.6878 19.6878 19.7910 19.7910 20.9037 20.9037 k = 0.5000 0.5000 0.1163 ( 1852 PWs) bands (ev): -6.2098 -6.2098 -5.6859 -5.6859 -5.6752 -5.6752 -3.7215 -3.7215 -3.4896 -3.4896 -1.2459 -1.2459 -1.1661 -1.1661 -0.9258 -0.9258 2.7251 2.7251 4.6327 4.6327 7.0650 7.0650 8.2158 8.2158 8.4493 8.4493 10.3678 10.3678 10.7150 10.7150 10.7527 10.7527 12.0133 12.0133 12.2774 12.2774 17.7513 17.7513 19.7193 19.7193 19.8476 19.8476 20.8985 20.8985 k = 0.5000 0.5000 0.1279 ( 1852 PWs) bands (ev): -6.1999 -6.1999 -5.6915 -5.6915 -5.6785 -5.6785 -3.7108 -3.7108 -3.4859 -3.4859 -1.2375 -1.2375 -1.1584 -1.1584 -0.9253 -0.9253 2.6235 2.6235 4.6602 4.6602 7.1918 7.1918 8.1375 8.1375 8.3729 8.3729 10.3686 10.3686 10.7856 10.7856 10.8208 10.8208 11.8922 11.8922 12.2752 12.2752 17.8111 17.8111 19.7534 19.7534 19.9079 19.9079 20.8925 20.8925 k = 0.5000 0.5000 0.1395 ( 1844 PWs) bands (ev): -6.1893 -6.1893 -5.6974 -5.6974 -5.6821 -5.6821 -3.6993 -3.6993 -3.4818 -3.4818 -1.2283 -1.2283 -1.1501 -1.1501 -0.9247 -0.9247 2.5198 2.5198 4.6903 4.6903 7.3228 7.3228 8.0579 8.0579 8.2952 8.2952 10.3695 10.3695 10.8569 10.8569 10.8896 10.8896 11.7648 11.7648 12.2729 12.2729 17.8730 17.8730 19.7899 19.7899 19.9710 19.9710 20.8858 20.8858 k = 0.5000 0.5000 0.1512 ( 1844 PWs) bands (ev): -6.1779 -6.1779 -5.7037 -5.7037 -5.6859 -5.6859 -3.6871 -3.6871 -3.4775 -3.4775 -1.2186 -1.2186 -1.1412 -1.1412 -0.9241 -0.9241 2.4147 2.4147 4.7232 4.7232 7.4571 7.4571 7.9774 7.9774 8.2168 8.2168 10.3704 10.3704 10.9284 10.9284 10.9586 10.9586 11.6319 11.6319 12.2704 12.2704 17.9368 17.9368 19.8284 19.8284 20.0365 20.0365 20.8783 20.8783 k = 0.5000 0.5000 0.1628 ( 1844 PWs) bands (ev): -6.1658 -6.1658 -5.7102 -5.7102 -5.6899 -5.6899 -3.6743 -3.6743 -3.4730 -3.4730 -1.2084 -1.2084 -1.1318 -1.1318 -0.9234 -0.9234 2.3090 2.3090 4.7586 4.7586 7.5939 7.5939 7.8966 7.8966 8.1381 8.1381 10.3713 10.3713 10.9998 10.9998 11.0274 11.0274 11.4944 11.4944 12.2677 12.2677 18.0020 18.0020 19.8688 19.8688 20.1037 20.1037 20.8699 20.8699 k = 0.5000 0.5000 0.1744 ( 1844 PWs) bands (ev): -6.1531 -6.1531 -5.7170 -5.7170 -5.6940 -5.6940 -3.6610 -3.6610 -3.4684 -3.4684 -1.1977 -1.1977 -1.1220 -1.1220 -0.9227 -0.9227 2.2032 2.2032 4.7968 4.7968 7.7325 7.7325 7.8159 7.8159 8.0595 8.0595 10.3722 10.3722 11.0704 11.0704 11.0956 11.0956 11.3532 11.3532 12.2650 12.2650 18.0683 18.0683 19.9107 19.9107 20.1718 20.1718 20.8606 20.8606 k = 0.5000 0.5000 0.1860 ( 1836 PWs) bands (ev): -6.1398 -6.1398 -5.7239 -5.7239 -5.6982 -5.6982 -3.6472 -3.6472 -3.4636 -3.4636 -1.1865 -1.1865 -1.1118 -1.1118 -0.9218 -0.9218 2.0979 2.0979 4.8377 4.8377 7.7356 7.7356 7.8724 7.8724 7.9813 7.9813 10.3732 10.3732 11.1374 11.1374 11.1631 11.1631 11.2114 11.2114 12.2621 12.2621 18.1354 18.1354 19.9537 19.9537 20.2402 20.2402 20.8504 20.8504 k = 0.5000 0.5000 0.1977 ( 1836 PWs) bands (ev): -6.1260 -6.1260 -5.7310 -5.7310 -5.7025 -5.7025 -3.6330 -3.6330 -3.4586 -3.4586 -1.1749 -1.1749 -1.1012 -1.1012 -0.9209 -0.9209 1.9935 1.9935 4.8812 4.8812 7.6561 7.6561 7.9038 7.9038 8.0128 8.0128 10.3742 10.3742 11.0572 11.0572 11.2130 11.2130 11.2296 11.2296 12.2592 12.2592 18.2031 18.2031 19.9975 19.9975 20.3082 20.3082 20.8393 20.8393 k = 0.5000 0.5000 0.2093 ( 1836 PWs) bands (ev): -6.1117 -6.1117 -5.7381 -5.7381 -5.7069 -5.7069 -3.6185 -3.6185 -3.4536 -3.4536 -1.1630 -1.1630 -1.0903 -1.0903 -0.9199 -0.9199 1.8903 1.8903 4.9275 4.9275 7.5775 7.5775 7.8273 7.8273 8.1533 8.1533 10.3753 10.3753 10.9083 10.9083 11.2797 11.2797 11.2948 11.2948 12.2562 12.2562 18.2713 18.2713 20.0416 20.0416 20.3751 20.3751 20.8272 20.8272 k = 0.5000 0.5000 0.2209 ( 1836 PWs) bands (ev): -6.0970 -6.0970 -5.7454 -5.7454 -5.7113 -5.7113 -3.6038 -3.6038 -3.4484 -3.4484 -1.1508 -1.1508 -1.0792 -1.0792 -0.9188 -0.9188 1.7888 1.7888 4.9764 4.9764 7.5003 7.5003 7.7519 7.7519 8.2933 8.2933 10.3763 10.3763 10.7569 10.7569 11.3459 11.3459 11.3587 11.3587 12.2531 12.2531 18.3396 18.3396 20.0854 20.0854 20.4404 20.4404 20.8142 20.8142 k = 0.5000 0.5000 0.2326 ( 1836 PWs) bands (ev): -6.0820 -6.0820 -5.7526 -5.7526 -5.7157 -5.7157 -3.5890 -3.5890 -3.4433 -3.4433 -1.1384 -1.1384 -1.0680 -1.0680 -0.9175 -0.9175 1.6892 1.6892 5.0281 5.0281 7.4246 7.4246 7.6780 7.6780 8.4325 8.4325 10.3773 10.3773 10.6040 10.6040 11.4106 11.4106 11.4210 11.4210 12.2500 12.2500 18.4079 18.4079 20.1286 20.1286 20.5032 20.5032 20.8003 20.8003 k = 0.5000 0.5000 0.2442 ( 1844 PWs) bands (ev): -6.0668 -6.0668 -5.7599 -5.7599 -5.7200 -5.7200 -3.5740 -3.5740 -3.4381 -3.4381 -1.1259 -1.1259 -1.0568 -1.0568 -0.9161 -0.9161 1.5918 1.5918 5.0824 5.0824 7.3507 7.3507 7.6057 7.6057 8.5702 8.5702 10.3778 10.3778 10.4506 10.4506 11.4735 11.4735 11.4816 11.4816 12.2468 12.2468 18.4761 18.4761 20.1705 20.1705 20.5628 20.5628 20.7856 20.7856 k = 0.5000 0.5000 0.2558 ( 1856 PWs) bands (ev): -6.0514 -6.0514 -5.7670 -5.7670 -5.7244 -5.7244 -3.5591 -3.5591 -3.4329 -3.4329 -1.1133 -1.1133 -1.0456 -1.0456 -0.9145 -0.9145 1.4970 1.4970 5.1393 5.1393 7.2788 7.2788 7.5353 7.5353 8.7061 8.7061 10.2948 10.2948 10.3803 10.3803 11.5345 11.5345 11.5404 11.5404 12.2437 12.2437 18.5439 18.5439 20.2104 20.2104 20.6185 20.6185 20.7702 20.7702 k = 0.5000 0.5000 0.2674 ( 1848 PWs) bands (ev): -6.0360 -6.0360 -5.7741 -5.7741 -5.7285 -5.7285 -3.5443 -3.5443 -3.4277 -3.4277 -1.1006 -1.1006 -1.0345 -1.0345 -0.9126 -0.9126 1.4048 1.4048 5.1989 5.1989 7.2091 7.2091 7.4669 7.4669 8.8397 8.8397 10.1407 10.1407 10.3810 10.3810 11.5934 11.5934 11.5972 11.5972 12.2406 12.2406 18.6113 18.6113 20.2476 20.2476 20.6694 20.6694 20.7544 20.7544 k = 0.5000 0.5000 0.2791 ( 1840 PWs) bands (ev): -6.0205 -6.0205 -5.7810 -5.7810 -5.7326 -5.7326 -3.5296 -3.5296 -3.4226 -3.4226 -1.0880 -1.0880 -1.0237 -1.0237 -0.9105 -0.9105 1.3157 1.3157 5.2610 5.2610 7.1417 7.1417 7.4006 7.4006 8.9707 8.9707 9.9865 9.9865 10.3820 10.3820 11.6502 11.6502 11.6520 11.6520 12.2375 12.2375 18.6779 18.6779 20.2814 20.2814 20.7143 20.7143 20.7383 20.7383 k = 0.5000 0.5000 0.2907 ( 1840 PWs) bands (ev): -6.0052 -6.0052 -5.7878 -5.7878 -5.7365 -5.7365 -3.5152 -3.5152 -3.4176 -3.4176 -1.0756 -1.0756 -1.0133 -1.0133 -0.9081 -0.9081 1.2297 1.2297 5.3257 5.3257 7.0769 7.0769 7.3367 7.3367 9.0985 9.0985 9.8328 9.8328 10.3830 10.3830 11.7047 11.7047 11.7047 11.7047 12.2344 12.2344 18.7437 18.7437 20.3110 20.3110 20.7222 20.7222 20.7523 20.7523 k = 0.5000 0.5000 0.3023 ( 1832 PWs) bands (ev): -5.9902 -5.9902 -5.7944 -5.7944 -5.7402 -5.7402 -3.5010 -3.5010 -3.4127 -3.4127 -1.0633 -1.0633 -1.0034 -1.0034 -0.9053 -0.9053 1.1472 1.1472 5.3928 5.3928 7.0149 7.0149 7.2752 7.2752 9.2227 9.2227 9.6799 9.6799 10.3840 10.3840 11.7551 11.7551 11.7569 11.7569 12.2315 12.2315 18.8084 18.8084 20.3358 20.3358 20.7064 20.7064 20.7820 20.7820 k = 0.5000 0.5000 0.3140 ( 1840 PWs) bands (ev): -5.9754 -5.9754 -5.8008 -5.8008 -5.7437 -5.7437 -3.4873 -3.4873 -3.4080 -3.4080 -1.0513 -1.0513 -0.9942 -0.9942 -0.9021 -0.9021 1.0681 1.0681 5.4622 5.4622 6.9559 6.9559 7.2164 7.2164 9.3429 9.3429 9.5281 9.5281 10.3850 10.3850 11.8031 11.8031 11.8065 11.8065 12.2285 12.2285 18.8718 18.8718 20.3550 20.3550 20.6913 20.6913 20.8023 20.8023 k = 0.5000 0.5000 0.3256 ( 1836 PWs) bands (ev): -5.9611 -5.9611 -5.8069 -5.8069 -5.7468 -5.7468 -3.4740 -3.4740 -3.4034 -3.4034 -1.0396 -1.0396 -0.9857 -0.9857 -0.8984 -0.8984 0.9929 0.9929 5.5338 5.5338 6.9000 6.9000 7.1605 7.1605 9.3777 9.3777 9.4587 9.4587 10.3860 10.3860 11.8488 11.8488 11.8536 11.8536 12.2257 12.2257 18.9337 18.9337 20.3685 20.3685 20.6771 20.6771 20.8127 20.8127 k = 0.5000 0.5000 0.3372 ( 1836 PWs) bands (ev): -5.9474 -5.9474 -5.8128 -5.8128 -5.7497 -5.7497 -3.4612 -3.4612 -3.3989 -3.3989 -1.0283 -1.0283 -0.9781 -0.9781 -0.8942 -0.8942 0.9216 0.9216 5.6075 5.6075 6.8476 6.8476 7.1074 7.1074 9.2291 9.2291 9.5695 9.5695 10.3869 10.3869 11.8919 11.8919 11.8980 11.8980 12.2230 12.2230 18.9940 18.9940 20.3761 20.3761 20.6639 20.6639 20.8133 20.8133 k = 0.5000 0.5000 0.3488 ( 1836 PWs) bands (ev): -5.9344 -5.9344 -5.8183 -5.8183 -5.7522 -5.7522 -3.4490 -3.4490 -3.3947 -3.3947 -1.0175 -1.0175 -0.9714 -0.9714 -0.8895 -0.8895 0.8544 0.8544 5.6829 5.6829 6.7988 6.7988 7.0574 7.0574 9.0825 9.0825 9.6751 9.6751 10.3878 10.3878 11.9324 11.9324 11.9397 11.9397 12.2204 12.2204 19.0524 19.0524 20.3782 20.3782 20.6518 20.6518 20.8049 20.8049 k = 0.5000 0.5000 0.3605 ( 1844 PWs) bands (ev): -5.9221 -5.9221 -5.8235 -5.8235 -5.7543 -5.7543 -3.4374 -3.4374 -3.3907 -3.3907 -1.0072 -1.0072 -0.9656 -0.9656 -0.8844 -0.8844 0.7914 0.7914 5.7597 5.7597 6.7540 6.7540 7.0106 7.0106 8.9384 8.9384 9.7750 9.7750 10.3887 10.3887 11.9702 11.9702 11.9786 11.9786 12.2179 12.2179 19.1087 19.1087 20.3755 20.3755 20.6406 20.6406 20.7893 20.7893 k = 0.5000 0.5000 0.3721 ( 1844 PWs) bands (ev): -5.9107 -5.9107 -5.8284 -5.8284 -5.7560 -5.7560 -3.4265 -3.4265 -3.3869 -3.3869 -0.9974 -0.9974 -0.9607 -0.9607 -0.8789 -0.8789 0.7329 0.7329 5.8374 5.8374 6.7135 6.7135 6.9670 6.9670 8.7969 8.7969 9.8687 9.8687 10.3895 10.3895 12.0053 12.0053 12.0146 12.0146 12.2157 12.2157 19.1625 19.1625 20.3689 20.3689 20.6299 20.6299 20.7683 20.7683 k = 0.5000 0.5000 0.3837 ( 1852 PWs) bands (ev): -5.9003 -5.9003 -5.8329 -5.8329 -5.7573 -5.7573 -3.4164 -3.4164 -3.3834 -3.3834 -0.9883 -0.9883 -0.9566 -0.9566 -0.8733 -0.8733 0.6789 0.6789 5.9153 5.9153 6.6779 6.6779 6.9269 6.9269 8.6587 8.6587 9.9559 9.9559 10.3902 10.3902 12.0375 12.0375 12.0477 12.0477 12.2136 12.2136 19.2137 19.2137 20.3596 20.3596 20.6197 20.6197 20.7437 20.7437 k = 0.5000 0.5000 0.3953 ( 1860 PWs) bands (ev): -5.8910 -5.8910 -5.8371 -5.8371 -5.7580 -5.7580 -3.4071 -3.4071 -3.3802 -3.3802 -0.9799 -0.9799 -0.9533 -0.9533 -0.8677 -0.8677 0.6296 0.6296 5.9923 5.9923 6.6478 6.6478 6.8903 6.8903 8.5242 8.5242 10.0361 10.0361 10.3909 10.3909 12.0669 12.0669 12.0779 12.0779 12.2117 12.2117 19.2619 19.2619 20.3485 20.3485 20.6098 20.6098 20.7172 20.7172 k = 0.5000 0.5000 0.4070 ( 1860 PWs) bands (ev): -5.8828 -5.8828 -5.8408 -5.8408 -5.7583 -5.7583 -3.3987 -3.3987 -3.3772 -3.3772 -0.9722 -0.9722 -0.9505 -0.9505 -0.8622 -0.8622 0.5851 0.5851 6.0669 6.0669 6.6245 6.6245 6.8572 6.8572 8.3941 8.3941 10.1091 10.1091 10.3915 10.3915 12.0933 12.0933 12.1050 12.1050 12.2100 12.2100 19.3067 19.3067 20.3365 20.3365 20.6003 20.6003 20.6900 20.6900 k = 0.5000 0.5000 0.4186 ( 1864 PWs) bands (ev): -5.8758 -5.8758 -5.8442 -5.8442 -5.7583 -5.7583 -3.3911 -3.3911 -3.3746 -3.3746 -0.9654 -0.9654 -0.9483 -0.9483 -0.8571 -0.8571 0.5456 0.5456 6.1367 6.1367 6.6096 6.6096 6.8279 6.8279 8.2694 8.2694 10.1744 10.1744 10.3921 10.3921 12.1166 12.1166 12.1291 12.1291 12.2085 12.2085 19.3479 19.3479 20.3243 20.3243 20.5913 20.5913 20.6634 20.6634 k = 0.5000 0.5000 0.4302 ( 1864 PWs) bands (ev): -5.8699 -5.8699 -5.8471 -5.8471 -5.7578 -5.7578 -3.3845 -3.3845 -3.3723 -3.3723 -0.9593 -0.9593 -0.9465 -0.9465 -0.8524 -0.8524 0.5111 0.5111 6.1984 6.1984 6.6052 6.6052 6.8023 6.8023 8.1510 8.1510 10.2317 10.2317 10.3926 10.3926 12.1368 12.1368 12.1500 12.1500 12.2074 12.2074 19.3850 19.3850 20.3127 20.3127 20.5830 20.5830 20.6381 20.6381 k = 0.5000 0.5000 0.4419 ( 1864 PWs) bands (ev): -5.8652 -5.8652 -5.8496 -5.8496 -5.7572 -5.7572 -3.3788 -3.3788 -3.3703 -3.3703 -0.9541 -0.9541 -0.9450 -0.9450 -0.8482 -0.8482 0.4818 0.4818 6.2482 6.2482 6.6138 6.6138 6.7805 6.7805 8.0409 8.0409 10.2807 10.2807 10.3930 10.3930 12.1538 12.1538 12.1678 12.1678 12.2066 12.2066 19.4175 19.4175 20.3021 20.3021 20.5754 20.5754 20.6151 20.6151 k = 0.5000 0.5000 0.4535 ( 1864 PWs) bands (ev): -5.8614 -5.8614 -5.8516 -5.8516 -5.7564 -5.7564 -3.3741 -3.3741 -3.3686 -3.3686 -0.9498 -0.9498 -0.9439 -0.9439 -0.8447 -0.8447 0.4576 0.4576 6.2836 6.2836 6.6354 6.6354 6.7626 6.7626 7.9413 7.9413 10.3212 10.3212 10.3934 10.3934 12.1675 12.1675 12.1824 12.1824 12.2062 12.2062 19.4449 19.4449 20.2929 20.2929 20.5689 20.5689 20.5951 20.5951 k = 0.5000 0.5000 0.4651 ( 1856 PWs) bands (ev): -5.8587 -5.8587 -5.8532 -5.8532 -5.7556 -5.7556 -3.3704 -3.3704 -3.3674 -3.3674 -0.9464 -0.9464 -0.9431 -0.9431 -0.8419 -0.8419 0.4388 0.4388 6.3055 6.3055 6.6661 6.6661 6.7486 6.7486 7.8556 7.8556 10.3529 10.3529 10.3937 10.3937 12.1777 12.1777 12.1938 12.1938 12.2064 12.2064 19.4670 19.4670 20.2854 20.2854 20.5637 20.5637 20.5788 20.5788 k = 0.5000 0.5000 0.4767 ( 1856 PWs) bands (ev): -5.8567 -5.8567 -5.8543 -5.8543 -5.7550 -5.7550 -3.3678 -3.3678 -3.3664 -3.3664 -0.9440 -0.9440 -0.9425 -0.9425 -0.8398 -0.8398 0.4253 0.4253 6.3172 6.3172 6.6979 6.6979 6.7386 6.7386 7.7882 7.7882 10.3757 10.3757 10.3939 10.3939 12.1844 12.1844 12.2019 12.2019 12.2071 12.2071 19.4830 19.4830 20.2799 20.2799 20.5598 20.5598 20.5666 20.5666 k = 0.5000 0.5000 0.4884 ( 1856 PWs) bands (ev): -5.8556 -5.8556 -5.8550 -5.8550 -5.7545 -5.7545 -3.3662 -3.3662 -3.3659 -3.3659 -0.9425 -0.9425 -0.9422 -0.9422 -0.8386 -0.8386 0.4172 0.4172 6.3227 6.3227 6.7218 6.7218 6.7326 6.7326 7.7446 7.7446 10.3894 10.3894 10.3940 10.3940 12.1880 12.1880 12.2068 12.2068 12.2080 12.2080 19.4928 19.4928 20.2765 20.2765 20.5574 20.5574 20.5592 20.5592 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -5.8553 -5.8553 -5.8553 -5.8553 -5.7544 -5.7544 -3.3657 -3.3657 -3.3657 -3.3657 -0.9421 -0.9421 -0.9421 -0.9421 -0.8381 -0.8381 0.4145 0.4145 6.3243 6.3243 6.7306 6.7306 6.7306 6.7306 7.7294 7.7294 10.3940 10.3940 10.3940 10.3940 12.1891 12.1891 12.2085 12.2085 12.2085 12.2085 19.4961 19.4961 20.2754 20.2754 20.5567 20.5567 20.5567 20.5567 Writing output data file GePbO3.save init_run : 0.16s CPU 0.30s WALL ( 1 calls) electrons : 62.32s CPU 63.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 62.31s CPU 63.86s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 331 calls) cegterg : 58.12s CPU 59.14s WALL ( 331 calls) Called by sum_band: Called by *egterg: h_psi : 23.08s CPU 24.51s WALL ( 5851 calls) s_psi : 1.24s CPU 1.33s WALL ( 5851 calls) g_psi : 0.06s CPU 0.08s WALL ( 5189 calls) cdiaghg : 31.21s CPU 30.82s WALL ( 5520 calls) cegterg:over : 2.28s CPU 2.38s WALL ( 5189 calls) cegterg:upda : 1.45s CPU 1.50s WALL ( 5189 calls) cegterg:last : 0.91s CPU 0.97s WALL ( 993 calls) cdiaghg:chol : 1.53s CPU 1.57s WALL ( 5520 calls) cdiaghg:inve : 0.98s CPU 0.97s WALL ( 5520 calls) cdiaghg:para : 1.60s CPU 1.76s WALL ( 11040 calls) Called by h_psi: h_psi:vloc : 19.62s CPU 20.93s WALL ( 5851 calls) h_psi:vnl : 3.43s CPU 3.53s WALL ( 5851 calls) add_vuspsi : 1.67s CPU 1.69s WALL ( 5851 calls) General routines calbec : 1.74s CPU 1.83s WALL ( 5851 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.94s CPU 19.10s WALL ( 587372 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 662 calls) Parallel routines fft_scatter : 11.32s CPU 11.98s WALL ( 587395 calls) PWSCF : 1m12.43s CPU 1m21.03s WALL This run was terminated on: 18:54:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=