Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YTl3.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 31 9 1344 779 127 Max 45 32 10 1349 791 132 Sum 1605 1117 341 48489 28257 4625 bravais-lattice index = 14 lattice parameter (alat) = 8.8439 a.u. unit-cell volume = 691.7259 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.843918 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Tl 13.00 204.38330 Tl( 1.00) Y 11.00 88.90590 Y( 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= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0038023 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0038023 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0038023 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0038023 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0038023 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0038023 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0038023 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0038023 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0038023 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0038023 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0038023 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0038023 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0038023 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0038023 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0038023 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0038023 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038023 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0038023 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0038023 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0038023 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0038023 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0038023 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0038023 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0038023 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0038023 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0038023 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0038023 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0038023 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0038023 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0038023 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0038023 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0038023 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0038023 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0038023 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0038023 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0038023 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0038023 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0038023 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0038023 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0038023 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0038023 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0038023 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0038023 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0038023 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0038023 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0038023 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0038023 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0038023 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038023 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0038023 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038023 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038023 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0038023 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0038023 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0038023 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0038023 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0038023 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0038023 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0038023 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0038023 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0038023 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0038023 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0038023 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0038023 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0038023 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0038023 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0038023 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0038023 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0038023 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0038023 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0038023 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0038023 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038023 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0038023 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0038023 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0038023 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0038023 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0038023 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0038023 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0038023 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038023 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0038023 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0038023 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0038023 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0038023 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0038023 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0038023 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0038023 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038023 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0038023 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0038023 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0038023 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0038023 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0038023 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0038023 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0038023 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038023 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0038023 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0038023 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0038023 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0038023 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0038023 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0038023 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0038023 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038023 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0038023 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0038023 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0038023 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0038023 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0038023 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0038023 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0038023 k( 122) = ( 0.0169491 0.0169491 0.0169491), wk = 0.0038023 k( 123) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0038023 k( 124) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0038023 k( 125) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0038023 k( 126) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0038023 k( 127) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0038023 k( 128) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0038023 k( 129) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0038023 k( 130) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0038023 k( 131) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0038023 k( 132) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0038023 k( 133) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0038023 k( 134) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0038023 k( 135) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0038023 k( 136) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0038023 k( 137) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0038023 k( 138) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0038023 k( 139) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0038023 k( 140) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0038023 k( 141) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0038023 k( 142) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0038023 k( 143) = ( 0.1949153 0.1949152 0.1949152), wk = 0.0038023 k( 144) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0038023 k( 145) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0038023 k( 146) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0038023 k( 147) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0038023 k( 148) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0038023 k( 149) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0038023 k( 150) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0038023 k( 151) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0038023 k( 152) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0038023 k( 153) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0038023 k( 154) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0038023 k( 155) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0038023 k( 156) = ( 0.3050848 0.3050847 0.3050847), wk = 0.0038023 k( 157) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0038023 k( 158) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0038023 k( 159) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0038023 k( 160) = ( 0.3389831 0.3389830 0.3389830), wk = 0.0038023 k( 161) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0038023 k( 162) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0038023 k( 163) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0038023 k( 164) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0038023 k( 165) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0038023 k( 166) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0038023 k( 167) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0038023 k( 168) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0038023 k( 169) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0038023 k( 170) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0038023 k( 171) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0038023 k( 172) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0038023 k( 173) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0038023 k( 174) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0038023 k( 175) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0038023 k( 176) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0038023 k( 177) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0038023 k( 178) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0038023 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 181) = ( 0.4895833 0.5000000 0.4895833), wk = 0.0038023 k( 182) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0038023 k( 183) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0038023 k( 184) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0038023 k( 185) = ( 0.4479167 0.5000000 0.4479167), wk = 0.0038023 k( 186) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0038023 k( 187) = ( 0.4270833 0.5000000 0.4270833), wk = 0.0038023 k( 188) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0038023 k( 189) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0038023 k( 190) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0038023 k( 191) = ( 0.3854167 0.5000000 0.3854167), wk = 0.0038023 k( 192) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0038023 k( 193) = ( 0.3645833 0.5000000 0.3645833), wk = 0.0038023 k( 194) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0038023 k( 195) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0038023 k( 196) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0038023 k( 197) = ( 0.3229167 0.5000000 0.3229167), wk = 0.0038023 k( 198) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0038023 k( 199) = ( 0.3020833 0.5000000 0.3020833), wk = 0.0038023 k( 200) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0038023 k( 201) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0038023 k( 202) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0038023 k( 203) = ( 0.2604167 0.5000000 0.2604167), wk = 0.0038023 k( 204) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0038023 k( 205) = ( 0.2395833 0.5000000 0.2395833), wk = 0.0038023 k( 206) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0038023 k( 207) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0038023 k( 208) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0038023 k( 209) = ( 0.1979167 0.5000000 0.1979167), wk = 0.0038023 k( 210) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0038023 k( 211) = ( 0.1770833 0.5000000 0.1770833), wk = 0.0038023 k( 212) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0038023 k( 213) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0038023 k( 214) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0038023 k( 215) = ( 0.1354167 0.5000000 0.1354167), wk = 0.0038023 k( 216) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0038023 k( 217) = ( 0.1145833 0.5000000 0.1145833), wk = 0.0038023 k( 218) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0038023 k( 219) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0038023 k( 220) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0038023 k( 221) = ( 0.0729167 0.5000000 0.0729167), wk = 0.0038023 k( 222) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0038023 k( 223) = ( 0.0520833 0.5000000 0.0520833), wk = 0.0038023 k( 224) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0038023 k( 225) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0038023 k( 226) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0038023 k( 227) = ( 0.0104167 0.5000000 0.0104167), wk = 0.0038023 k( 228) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 229) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 230) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038023 k( 231) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038023 k( 232) = ( 0.5000000 0.5000000 0.0441176), wk = 0.0038023 k( 233) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038023 k( 234) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038023 k( 235) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038023 k( 236) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038023 k( 237) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038023 k( 238) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038023 k( 239) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038023 k( 240) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038023 k( 241) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038023 k( 242) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038023 k( 243) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038023 k( 244) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038023 k( 245) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038023 k( 246) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038023 k( 247) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038023 k( 248) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038023 k( 249) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0038023 k( 250) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038023 k( 251) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038023 k( 252) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038023 k( 253) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038023 k( 254) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038023 k( 255) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038023 k( 256) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038023 k( 257) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038023 k( 258) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038023 k( 259) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038023 k( 260) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038023 k( 261) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038023 k( 262) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038023 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0038023 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0038023 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0038023 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0038023 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0038023 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0038023 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0038023 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0038023 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0038023 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0038023 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0038023 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0038023 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0038023 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0038023 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0038023 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0038023 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038023 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0038023 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0038023 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0038023 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0038023 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0038023 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0038023 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0038023 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0038023 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0038023 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0038023 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0038023 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0038023 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0038023 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0038023 k( 34) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0038023 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0038023 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0038023 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0038023 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0038023 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0038023 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0038023 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0038023 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0038023 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0038023 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0038023 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0038023 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0038023 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0038023 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0038023 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0038023 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0038023 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038023 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0038023 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038023 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038023 k( 57) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0038023 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0038023 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0038023 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0038023 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0038023 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0038023 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0038023 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0038023 k( 65) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0038023 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0038023 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0038023 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0038023 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0038023 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0038023 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0038023 k( 74) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0038023 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0038023 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0038023 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0038023 k( 78) = ( 0.4270833 0.4270833 0.0000000), wk = 0.0038023 k( 79) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0038023 k( 80) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0038023 k( 81) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0038023 k( 82) = ( 0.3854167 0.3854167 0.0000000), wk = 0.0038023 k( 83) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0038023 k( 84) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0038023 k( 85) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0038023 k( 86) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0038023 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038023 k( 88) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0038023 k( 89) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0038023 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0038023 k( 91) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0038023 k( 92) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0038023 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0038023 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0038023 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0038023 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0038023 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0038023 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0038023 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0038023 k( 100) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0038023 k( 101) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0038023 k( 102) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0038023 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0038023 k( 104) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0038023 k( 105) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0038023 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0038023 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0038023 k( 108) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0038023 k( 109) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0038023 k( 110) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0038023 k( 111) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0038023 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0038023 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0038023 k( 114) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0038023 k( 115) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0038023 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0038023 k( 117) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0038023 k( 118) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0038023 k( 122) = ( 0.0169491 0.0169491 0.0169491), wk = 0.0038023 k( 123) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0038023 k( 124) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0038023 k( 125) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0038023 k( 126) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0038023 k( 127) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0038023 k( 128) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0038023 k( 129) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0038023 k( 130) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0038023 k( 131) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0038023 k( 132) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0038023 k( 133) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0038023 k( 134) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0038023 k( 135) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0038023 k( 136) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0038023 k( 137) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0038023 k( 138) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0038023 k( 139) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0038023 k( 140) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0038023 k( 141) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0038023 k( 142) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0038023 k( 143) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0038023 k( 144) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0038023 k( 145) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0038023 k( 146) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0038023 k( 147) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0038023 k( 148) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0038023 k( 149) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0038023 k( 150) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0038023 k( 151) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0038023 k( 152) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0038023 k( 153) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0038023 k( 154) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0038023 k( 155) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0038023 k( 156) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0038023 k( 157) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0038023 k( 158) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0038023 k( 159) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0038023 k( 160) = ( 0.3389831 0.3389831 0.3389831), wk = 0.0038023 k( 161) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0038023 k( 162) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0038023 k( 163) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0038023 k( 164) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0038023 k( 165) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0038023 k( 166) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0038023 k( 167) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0038023 k( 168) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0038023 k( 169) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0038023 k( 170) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0038023 k( 171) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0038023 k( 172) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0038023 k( 173) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0038023 k( 174) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0038023 k( 175) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0038023 k( 176) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0038023 k( 177) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0038023 k( 178) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0038023 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 181) = ( 0.4895833 0.5000000 0.4895833), wk = 0.0038023 k( 182) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0038023 k( 183) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0038023 k( 184) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0038023 k( 185) = ( 0.4479167 0.5000000 0.4479167), wk = 0.0038023 k( 186) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0038023 k( 187) = ( 0.4270833 0.5000000 0.4270833), wk = 0.0038023 k( 188) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0038023 k( 189) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0038023 k( 190) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0038023 k( 191) = ( 0.3854167 0.5000000 0.3854167), wk = 0.0038023 k( 192) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0038023 k( 193) = ( 0.3645833 0.5000000 0.3645833), wk = 0.0038023 k( 194) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0038023 k( 195) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0038023 k( 196) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0038023 k( 197) = ( 0.3229167 0.5000000 0.3229167), wk = 0.0038023 k( 198) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0038023 k( 199) = ( 0.3020833 0.5000000 0.3020833), wk = 0.0038023 k( 200) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0038023 k( 201) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0038023 k( 202) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0038023 k( 203) = ( 0.2604167 0.5000000 0.2604167), wk = 0.0038023 k( 204) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0038023 k( 205) = ( 0.2395833 0.5000000 0.2395833), wk = 0.0038023 k( 206) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0038023 k( 207) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0038023 k( 208) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0038023 k( 209) = ( 0.1979167 0.5000000 0.1979167), wk = 0.0038023 k( 210) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0038023 k( 211) = ( 0.1770833 0.5000000 0.1770833), wk = 0.0038023 k( 212) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0038023 k( 213) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0038023 k( 214) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0038023 k( 215) = ( 0.1354167 0.5000000 0.1354167), wk = 0.0038023 k( 216) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0038023 k( 217) = ( 0.1145833 0.5000000 0.1145833), wk = 0.0038023 k( 218) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0038023 k( 219) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0038023 k( 220) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0038023 k( 221) = ( 0.0729167 0.5000000 0.0729167), wk = 0.0038023 k( 222) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0038023 k( 223) = ( 0.0520833 0.5000000 0.0520833), wk = 0.0038023 k( 224) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0038023 k( 225) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0038023 k( 226) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0038023 k( 227) = ( 0.0104167 0.5000000 0.0104167), wk = 0.0038023 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 230) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038023 k( 231) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038023 k( 232) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0038023 k( 233) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038023 k( 234) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038023 k( 235) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038023 k( 236) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038023 k( 237) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038023 k( 238) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038023 k( 239) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038023 k( 240) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038023 k( 241) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038023 k( 242) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038023 k( 243) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038023 k( 244) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038023 k( 245) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038023 k( 246) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038023 k( 247) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038023 k( 248) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038023 k( 249) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0038023 k( 250) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038023 k( 251) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038023 k( 252) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038023 k( 253) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038023 k( 254) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038023 k( 255) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038023 k( 256) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038023 k( 257) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038023 k( 258) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038023 k( 259) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038023 k( 260) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038023 k( 261) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038023 k( 262) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038023 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 Dense grid: 48489 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 28257 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 204, 60) NL pseudopotentials 0.21 Mb ( 102, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1346) G-vector shells 0.00 Mb ( 322) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 204, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.25 Mb ( 136, 2, 60) The potential is recalculated from file : ./YTl3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.2 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.0 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.9 secs Computing kpt #: 30 total cpu time spent up to now is 15.3 secs Computing kpt #: 31 total cpu time spent up to now is 15.7 secs Computing kpt #: 32 total cpu time spent up to now is 16.2 secs Computing kpt #: 33 total cpu time spent up to now is 16.6 secs Computing kpt #: 34 total cpu time spent up to now is 17.1 secs Computing kpt #: 35 total cpu time spent up to now is 17.5 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.3 secs Computing kpt #: 38 total cpu time spent up to now is 18.8 secs Computing kpt #: 39 total cpu time spent up to now is 19.3 secs Computing kpt #: 40 total cpu time spent up to now is 19.7 secs Computing kpt #: 41 total cpu time spent up to now is 20.2 secs Computing kpt #: 42 total cpu time spent up to now is 20.6 secs Computing kpt #: 43 total cpu time spent up to now is 21.1 secs Computing kpt #: 44 total cpu time spent up to now is 21.6 secs Computing kpt #: 45 total cpu time spent up to now is 22.0 secs Computing kpt #: 46 total cpu time spent up to now is 22.5 secs Computing kpt #: 47 total cpu time spent up to now is 23.0 secs Computing kpt #: 48 total cpu time spent up to now is 23.5 secs Computing kpt #: 49 total cpu time spent up to now is 24.0 secs Computing kpt #: 50 total cpu time spent up to now is 24.4 secs Computing kpt #: 51 total cpu time spent up to now is 24.9 secs Computing kpt #: 52 total cpu time spent up to now is 25.3 secs Computing kpt #: 53 total cpu time spent up to now is 25.8 secs Computing kpt #: 54 total cpu time spent up to now is 26.2 secs Computing kpt #: 55 total cpu time spent up to now is 26.6 secs Computing kpt #: 56 total cpu time spent up to now is 27.1 secs Computing kpt #: 57 total cpu time spent up to now is 27.5 secs Computing kpt #: 58 total cpu time spent up to now is 28.0 secs Computing kpt #: 59 total cpu time spent up to now is 28.4 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.2 secs Computing kpt #: 64 total cpu time spent up to now is 30.7 secs Computing kpt #: 65 total cpu time spent up to now is 31.2 secs Computing kpt #: 66 total cpu time spent up to now is 31.6 secs Computing kpt #: 67 total cpu time spent up to now is 32.1 secs Computing kpt #: 68 total cpu time spent up to now is 32.6 secs Computing kpt #: 69 total cpu time spent up to now is 33.1 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.0 secs Computing kpt #: 72 total cpu time spent up to now is 34.5 secs Computing kpt #: 73 total cpu time spent up to now is 35.0 secs Computing kpt #: 74 total cpu time spent up to now is 35.5 secs Computing kpt #: 75 total cpu time spent up to now is 36.0 secs Computing kpt #: 76 total cpu time spent up to now is 36.5 secs Computing kpt #: 77 total cpu time spent up to now is 37.2 secs Computing kpt #: 78 total cpu time spent up to now is 37.7 secs Computing kpt #: 79 total cpu time spent up to now is 38.1 secs Computing kpt #: 80 total cpu time spent up to now is 38.6 secs Computing kpt #: 81 total cpu time spent up to now is 39.1 secs Computing kpt #: 82 total cpu time spent up to now is 39.5 secs Computing kpt #: 83 total cpu time spent up to now is 40.0 secs Computing kpt #: 84 total cpu time spent up to now is 40.4 secs Computing kpt #: 85 total cpu time spent up to now is 40.9 secs Computing kpt #: 86 total cpu time spent up to now is 41.3 secs Computing kpt #: 87 total cpu time spent up to now is 41.8 secs Computing kpt #: 88 total cpu time spent up to now is 42.2 secs Computing kpt #: 89 total cpu time spent up to now is 42.7 secs Computing kpt #: 90 total cpu time spent up to now is 43.1 secs Computing kpt #: 91 total cpu time spent up to now is 43.6 secs Computing kpt #: 92 total cpu time spent up to now is 44.0 secs Computing kpt #: 93 total cpu time spent up to now is 44.5 secs Computing kpt #: 94 total cpu time spent up to now is 45.0 secs Computing kpt #: 95 total cpu time spent up to now is 45.5 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.3 secs Computing kpt #: 100 total cpu time spent up to now is 47.7 secs Computing kpt #: 101 total cpu time spent up to now is 48.1 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.4 secs Computing kpt #: 105 total cpu time spent up to now is 49.8 secs Computing kpt #: 106 total cpu time spent up to now is 50.3 secs Computing kpt #: 107 total cpu time spent up to now is 50.7 secs Computing kpt #: 108 total cpu time spent up to now is 51.1 secs Computing kpt #: 109 total cpu time spent up to now is 51.6 secs Computing kpt #: 110 total cpu time spent up to now is 52.0 secs Computing kpt #: 111 total cpu time spent up to now is 52.4 secs Computing kpt #: 112 total cpu time spent up to now is 52.9 secs Computing kpt #: 113 total cpu time spent up to now is 53.3 secs Computing kpt #: 114 total cpu time spent up to now is 53.7 secs Computing kpt #: 115 total cpu time spent up to now is 54.1 secs Computing kpt #: 116 total cpu time spent up to now is 54.6 secs Computing kpt #: 117 total cpu time spent up to now is 55.0 secs Computing kpt #: 118 total cpu time spent up to now is 55.4 secs Computing kpt #: 119 total cpu time spent up to now is 55.8 secs Computing kpt #: 120 total cpu time spent up to now is 56.2 secs Computing kpt #: 121 total cpu time spent up to now is 56.6 secs Computing kpt #: 122 total cpu time spent up to now is 57.0 secs Computing kpt #: 123 total cpu time spent up to now is 57.5 secs Computing kpt #: 124 total cpu time spent up to now is 57.9 secs Computing kpt #: 125 total cpu time spent up to now is 58.3 secs Computing kpt #: 126 total cpu time spent up to now is 58.8 secs Computing kpt #: 127 total cpu time spent up to now is 59.2 secs Computing kpt #: 128 total cpu time spent up to now is 59.6 secs Computing kpt #: 129 total cpu time spent up to now is 60.1 secs Computing kpt #: 130 total cpu time spent up to now is 60.5 secs Computing kpt #: 131 total cpu time spent up to now is 61.0 secs Computing kpt #: 132 total cpu time spent up to now is 61.4 secs Computing kpt #: 133 total cpu time spent up to now is 61.8 secs Computing kpt #: 134 total cpu time spent up to now is 62.3 secs Computing kpt #: 135 total cpu time spent up to now is 62.7 secs Computing kpt #: 136 total cpu time spent up to now is 63.1 secs Computing kpt #: 137 total cpu time spent up to now is 63.6 secs Computing kpt #: 138 total cpu time spent up to now is 64.0 secs Computing kpt #: 139 total cpu time spent up to now is 64.4 secs Computing kpt #: 140 total cpu time spent up to now is 64.9 secs Computing kpt #: 141 total cpu time spent up to now is 65.3 secs Computing kpt #: 142 total cpu time spent up to now is 65.7 secs Computing kpt #: 143 total cpu time spent up to now is 66.2 secs Computing kpt #: 144 total cpu time spent up to now is 66.7 secs Computing kpt #: 145 total cpu time spent up to now is 67.1 secs Computing kpt #: 146 total cpu time spent up to now is 67.6 secs Computing kpt #: 147 total cpu time spent up to now is 68.0 secs Computing kpt #: 148 total cpu time spent up to now is 68.5 secs Computing kpt #: 149 total cpu time spent up to now is 69.0 secs Computing kpt #: 150 total cpu time spent up to now is 69.4 secs Computing kpt #: 151 total cpu time spent up to now is 69.9 secs Computing kpt #: 152 total cpu time spent up to now is 70.4 secs Computing kpt #: 153 total cpu time spent up to now is 70.8 secs Computing kpt #: 154 total cpu time spent up to now is 71.3 secs Computing kpt #: 155 total cpu time spent up to now is 72.0 secs Computing kpt #: 156 total cpu time spent up to now is 72.6 secs Computing kpt #: 157 total cpu time spent up to now is 73.1 secs Computing kpt #: 158 total cpu time spent up to now is 73.7 secs Computing kpt #: 159 total cpu time spent up to now is 74.2 secs Computing kpt #: 160 total cpu time spent up to now is 74.7 secs Computing kpt #: 161 total cpu time spent up to now is 75.2 secs Computing kpt #: 162 total cpu time spent up to now is 75.7 secs Computing kpt #: 163 total cpu time spent up to now is 76.2 secs Computing kpt #: 164 total cpu time spent up to now is 76.7 secs Computing kpt #: 165 total cpu time spent up to now is 77.3 secs Computing kpt #: 166 total cpu time spent up to now is 77.8 secs Computing kpt #: 167 total cpu time spent up to now is 78.3 secs Computing kpt #: 168 total cpu time spent up to now is 78.8 secs Computing kpt #: 169 total cpu time spent up to now is 79.3 secs Computing kpt #: 170 total cpu time spent up to now is 79.8 secs Computing kpt #: 171 total cpu time spent up to now is 80.3 secs Computing kpt #: 172 total cpu time spent up to now is 80.8 secs Computing kpt #: 173 total cpu time spent up to now is 81.3 secs Computing kpt #: 174 total cpu time spent up to now is 81.8 secs Computing kpt #: 175 total cpu time spent up to now is 82.3 secs Computing kpt #: 176 total cpu time spent up to now is 82.8 secs Computing kpt #: 177 total cpu time spent up to now is 83.4 secs Computing kpt #: 178 total cpu time spent up to now is 83.9 secs Computing kpt #: 179 total cpu time spent up to now is 84.4 secs Computing kpt #: 180 total cpu time spent up to now is 84.8 secs Computing kpt #: 181 total cpu time spent up to now is 85.4 secs Computing kpt #: 182 total cpu time spent up to now is 85.9 secs Computing kpt #: 183 total cpu time spent up to now is 86.5 secs Computing kpt #: 184 total cpu time spent up to now is 86.9 secs Computing kpt #: 185 total cpu time spent up to now is 87.4 secs Computing kpt #: 186 total cpu time spent up to now is 87.9 secs Computing kpt #: 187 total cpu time spent up to now is 88.4 secs Computing kpt #: 188 total cpu time spent up to now is 88.9 secs Computing kpt #: 189 total cpu time spent up to now is 89.3 secs Computing kpt #: 190 total cpu time spent up to now is 89.8 secs Computing kpt #: 191 total cpu time spent up to now is 90.3 secs Computing kpt #: 192 total cpu time spent up to now is 90.7 secs Computing kpt #: 193 total cpu time spent up to now is 91.2 secs Computing kpt #: 194 total cpu time spent up to now is 91.6 secs Computing kpt #: 195 total cpu time spent up to now is 92.1 secs Computing kpt #: 196 total cpu time spent up to now is 92.5 secs Computing kpt #: 197 total cpu time spent up to now is 92.9 secs Computing kpt #: 198 total cpu time spent up to now is 93.4 secs Computing kpt #: 199 total cpu time spent up to now is 93.8 secs Computing kpt #: 200 total cpu time spent up to now is 94.2 secs Computing kpt #: 201 total cpu time spent up to now is 94.6 secs Computing kpt #: 202 total cpu time spent up to now is 95.1 secs Computing kpt #: 203 total cpu time spent up to now is 95.5 secs Computing kpt #: 204 total cpu time spent up to now is 95.9 secs Computing kpt #: 205 total cpu time spent up to now is 96.3 secs Computing kpt #: 206 total cpu time spent up to now is 96.7 secs Computing kpt #: 207 total cpu time spent up to now is 97.1 secs Computing kpt #: 208 total cpu time spent up to now is 97.5 secs Computing kpt #: 209 total cpu time spent up to now is 98.0 secs Computing kpt #: 210 total cpu time spent up to now is 98.4 secs Computing kpt #: 211 total cpu time spent up to now is 98.8 secs Computing kpt #: 212 total cpu time spent up to now is 99.2 secs Computing kpt #: 213 total cpu time spent up to now is 99.6 secs Computing kpt #: 214 total cpu time spent up to now is 100.0 secs Computing kpt #: 215 total cpu time spent up to now is 100.5 secs Computing kpt #: 216 total cpu time spent up to now is 100.9 secs Computing kpt #: 217 total cpu time spent up to now is 101.3 secs Computing kpt #: 218 total cpu time spent up to now is 101.7 secs Computing kpt #: 219 total cpu time spent up to now is 102.2 secs Computing kpt #: 220 total cpu time spent up to now is 102.6 secs Computing kpt #: 221 total cpu time spent up to now is 103.1 secs Computing kpt #: 222 total cpu time spent up to now is 103.5 secs Computing kpt #: 223 total cpu time spent up to now is 104.0 secs Computing kpt #: 224 total cpu time spent up to now is 104.5 secs Computing kpt #: 225 total cpu time spent up to now is 105.0 secs Computing kpt #: 226 total cpu time spent up to now is 105.4 secs Computing kpt #: 227 total cpu time spent up to now is 105.9 secs Computing kpt #: 228 total cpu time spent up to now is 106.3 secs Computing kpt #: 229 total cpu time spent up to now is 106.9 secs Computing kpt #: 230 total cpu time spent up to now is 107.4 secs Computing kpt #: 231 total cpu time spent up to now is 107.9 secs Computing kpt #: 232 total cpu time spent up to now is 108.3 secs Computing kpt #: 233 total cpu time spent up to now is 108.8 secs Computing kpt #: 234 total cpu time spent up to now is 109.3 secs Computing kpt #: 235 total cpu time spent up to now is 109.8 secs Computing kpt #: 236 total cpu time spent up to now is 110.3 secs Computing kpt #: 237 total cpu time spent up to now is 110.8 secs Computing kpt #: 238 total cpu time spent up to now is 111.2 secs Computing kpt #: 239 total cpu time spent up to now is 111.7 secs Computing kpt #: 240 total cpu time spent up to now is 112.3 secs Computing kpt #: 241 total cpu time spent up to now is 112.8 secs Computing kpt #: 242 total cpu time spent up to now is 113.3 secs Computing kpt #: 243 total cpu time spent up to now is 113.8 secs Computing kpt #: 244 total cpu time spent up to now is 114.4 secs Computing kpt #: 245 total cpu time spent up to now is 114.9 secs Computing kpt #: 246 total cpu time spent up to now is 115.4 secs Computing kpt #: 247 total cpu time spent up to now is 115.9 secs Computing kpt #: 248 total cpu time spent up to now is 116.4 secs Computing kpt #: 249 total cpu time spent up to now is 116.9 secs Computing kpt #: 250 total cpu time spent up to now is 117.4 secs Computing kpt #: 251 total cpu time spent up to now is 118.0 secs Computing kpt #: 252 total cpu time spent up to now is 118.4 secs Computing kpt #: 253 total cpu time spent up to now is 118.9 secs Computing kpt #: 254 total cpu time spent up to now is 119.4 secs Computing kpt #: 255 total cpu time spent up to now is 119.9 secs Computing kpt #: 256 total cpu time spent up to now is 120.4 secs Computing kpt #: 257 total cpu time spent up to now is 121.0 secs Computing kpt #: 258 total cpu time spent up to now is 121.5 secs Computing kpt #: 259 total cpu time spent up to now is 122.1 secs Computing kpt #: 260 total cpu time spent up to now is 122.6 secs Computing kpt #: 261 total cpu time spent up to now is 123.2 secs Computing kpt #: 262 total cpu time spent up to now is 123.8 secs Computing kpt #: 263 total cpu time spent up to now is 124.2 secs ethr = 2.00E-08, avg # of iterations = 17.3 total cpu time spent up to now is 124.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2625 -0.2625 -0.2584 -0.2584 -0.2584 -0.2584 -0.1889 -0.1889 -0.1889 -0.1889 -0.1783 -0.1783 1.7208 1.7208 1.7208 1.7208 1.8245 1.8245 1.9849 1.9849 1.9975 1.9975 1.9975 1.9975 2.2760 2.2760 2.4605 2.4605 2.4605 2.4605 2.5331 2.5331 8.7500 8.7500 8.7500 8.7500 10.8242 10.8242 10.8242 10.8242 11.3922 11.3922 14.6681 14.6681 14.6681 14.6681 14.6775 14.6775 15.2216 15.2216 15.2216 15.2216 k = 0.0000 0.0147-0.0000 ( 3543 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2624 -0.2624 -0.2583 -0.2583 -0.2582 -0.2582 -0.1887 -0.1887 -0.1887 -0.1887 -0.1781 -0.1781 1.7210 1.7210 1.7211 1.7211 1.8246 1.8246 1.9849 1.9849 1.9975 1.9975 1.9975 1.9975 2.2759 2.2759 2.4601 2.4601 2.4603 2.4603 2.5347 2.5347 8.7377 8.7377 8.7508 8.7508 10.8246 10.8246 10.8321 10.8321 11.3954 11.3954 14.6620 14.6620 14.6671 14.6671 14.6761 14.6761 15.1967 15.1967 15.2229 15.2229 k = 0.0000 0.0294-0.0000 ( 3523 PWs) bands (ev): -30.7262 -30.7262 -11.7114 -11.7114 -10.2731 -10.2731 -10.2729 -10.2729 -0.2619 -0.2619 -0.2581 -0.2581 -0.2576 -0.2576 -0.1885 -0.1885 -0.1884 -0.1884 -0.1777 -0.1777 1.7214 1.7214 1.7220 1.7220 1.8249 1.8249 1.9848 1.9848 1.9973 1.9973 1.9975 1.9975 2.2754 2.2754 2.4586 2.4586 2.4595 2.4595 2.5395 2.5395 8.7017 8.7017 8.7535 8.7535 10.8258 10.8258 10.8549 10.8549 11.4052 11.4052 14.6439 14.6439 14.6626 14.6626 14.6734 14.6734 15.1281 15.1281 15.2269 15.2269 k = 0.0000 0.0441-0.0000 ( 3507 PWs) bands (ev): -30.7262 -30.7262 -11.7115 -11.7115 -10.2733 -10.2733 -10.2729 -10.2729 -0.2612 -0.2612 -0.2577 -0.2577 -0.2567 -0.2567 -0.1880 -0.1880 -0.1880 -0.1880 -0.1771 -0.1771 1.7221 1.7221 1.7234 1.7234 1.8252 1.8252 1.9844 1.9844 1.9972 1.9972 1.9976 1.9976 2.2745 2.2745 2.4562 2.4562 2.4582 2.4582 2.5475 2.5475 8.6440 8.6440 8.7578 8.7578 10.8277 10.8277 10.8902 10.8902 11.4219 11.4219 14.6152 14.6152 14.6529 14.6529 14.6716 14.6716 15.0279 15.0279 15.2334 15.2334 k = 0.0000 0.0588-0.0000 ( 3519 PWs) bands (ev): -30.7262 -30.7262 -11.7116 -11.7116 -10.2737 -10.2737 -10.2729 -10.2729 -0.2604 -0.2604 -0.2571 -0.2571 -0.2554 -0.2554 -0.1874 -0.1874 -0.1873 -0.1873 -0.1763 -0.1763 1.7231 1.7231 1.7254 1.7254 1.8258 1.8258 1.9836 1.9836 1.9969 1.9969 1.9980 1.9980 2.2732 2.2732 2.4529 2.4529 2.4564 2.4564 2.5588 2.5588 8.5674 8.5674 8.7639 8.7639 10.8303 10.8303 10.9344 10.9344 11.4463 11.4463 14.5775 14.5775 14.6387 14.6387 14.6703 14.6703 14.9076 14.9076 15.2422 15.2422 k = 0.0000 0.0735-0.0000 ( 3527 PWs) bands (ev): -30.7262 -30.7262 -11.7118 -11.7118 -10.2742 -10.2742 -10.2730 -10.2730 -0.2595 -0.2595 -0.2562 -0.2562 -0.2538 -0.2538 -0.1866 -0.1866 -0.1866 -0.1866 -0.1752 -0.1752 1.7244 1.7244 1.7280 1.7280 1.8264 1.8264 1.9824 1.9824 1.9966 1.9966 1.9987 1.9987 2.2716 2.2716 2.4486 2.4486 2.4540 2.4540 2.5734 2.5734 8.4749 8.4749 8.7717 8.7717 10.8336 10.8336 10.9838 10.9838 11.4791 11.4791 14.5328 14.5328 14.6213 14.6213 14.6690 14.6690 14.7750 14.7750 15.2528 15.2528 k = 0.0000 0.0882-0.0000 ( 3543 PWs) bands (ev): -30.7262 -30.7262 -11.7120 -11.7120 -10.2747 -10.2747 -10.2730 -10.2730 -0.2588 -0.2588 -0.2547 -0.2547 -0.2518 -0.2518 -0.1856 -0.1856 -0.1856 -0.1856 -0.1739 -0.1739 1.7259 1.7259 1.7311 1.7311 1.8273 1.8273 1.9806 1.9806 1.9962 1.9962 1.9997 1.9997 2.2696 2.2696 2.4434 2.4434 2.4511 2.4511 2.5913 2.5913 8.3694 8.3694 8.7813 8.7813 10.8374 10.8374 11.0347 11.0347 11.5211 11.5211 14.4830 14.4830 14.6017 14.6017 14.6351 14.6351 14.6677 14.6677 15.2649 15.2649 k = 0.0000 0.1029-0.0000 ( 3535 PWs) bands (ev): -30.7262 -30.7262 -11.7122 -11.7122 -10.2754 -10.2754 -10.2731 -10.2731 -0.2581 -0.2581 -0.2528 -0.2528 -0.2495 -0.2495 -0.1845 -0.1845 -0.1845 -0.1845 -0.1724 -0.1724 1.7277 1.7277 1.7348 1.7348 1.8283 1.8283 1.9783 1.9783 1.9957 1.9957 2.0011 2.0011 2.2673 2.2673 2.4374 2.4374 2.4478 2.4478 2.6126 2.6126 8.2536 8.2536 8.7925 8.7925 10.8417 10.8417 11.0842 11.0842 11.5727 11.5727 14.4300 14.4300 14.4908 14.4908 14.5810 14.5810 14.6662 14.6662 15.2778 15.2778 k = 0.0000 0.1176-0.0000 ( 3551 PWs) bands (ev): -30.7262 -30.7262 -11.7125 -11.7125 -10.2761 -10.2761 -10.2732 -10.2732 -0.2575 -0.2575 -0.2505 -0.2505 -0.2469 -0.2469 -0.1833 -0.1833 -0.1832 -0.1832 -0.1708 -0.1708 1.7297 1.7297 1.7389 1.7389 1.8294 1.8294 1.9756 1.9756 1.9951 1.9951 2.0026 2.0026 2.2646 2.2646 2.4306 2.4306 2.4440 2.4440 2.6373 2.6373 8.1296 8.1296 8.8054 8.8054 10.8463 10.8463 11.1304 11.1304 11.6335 11.6335 14.3447 14.3447 14.3754 14.3754 14.5597 14.5597 14.6645 14.6645 15.2911 15.2911 k = 0.0000 0.1324-0.0000 ( 3551 PWs) bands (ev): -30.7262 -30.7262 -11.7128 -11.7128 -10.2769 -10.2769 -10.2732 -10.2732 -0.2568 -0.2568 -0.2479 -0.2479 -0.2440 -0.2440 -0.1819 -0.1819 -0.1818 -0.1818 -0.1689 -0.1689 1.7320 1.7320 1.7436 1.7436 1.8307 1.8307 1.9725 1.9725 1.9945 1.9945 2.0043 2.0043 2.2616 2.2616 2.4230 2.4230 2.4399 2.4399 2.6654 2.6654 7.9993 7.9993 8.8200 8.8200 10.8512 10.8512 11.1726 11.1726 11.7024 11.7024 14.1980 14.1980 14.3203 14.3203 14.5387 14.5387 14.6627 14.6627 15.3044 15.3044 k = 0.0000 0.1471-0.0000 ( 3551 PWs) bands (ev): -30.7261 -30.7261 -11.7132 -11.7132 -10.2778 -10.2778 -10.2733 -10.2733 -0.2562 -0.2562 -0.2450 -0.2450 -0.2408 -0.2408 -0.1804 -0.1804 -0.1803 -0.1803 -0.1669 -0.1669 1.7344 1.7344 1.7488 1.7488 1.8322 1.8322 1.9690 1.9690 1.9938 1.9938 2.0061 2.0061 2.2583 2.2583 2.4147 2.4147 2.4353 2.4353 2.6970 2.6970 7.8640 7.8640 8.8361 8.8361 10.8562 10.8562 11.2111 11.2111 11.7779 11.7779 14.0517 14.0517 14.2660 14.2660 14.5187 14.5187 14.6607 14.6607 15.3174 15.3174 k = 0.0000 0.1618-0.0000 ( 3551 PWs) bands (ev): -30.7261 -30.7261 -11.7135 -11.7135 -10.2787 -10.2787 -10.2734 -10.2734 -0.2555 -0.2555 -0.2418 -0.2418 -0.2373 -0.2373 -0.1788 -0.1788 -0.1787 -0.1787 -0.1648 -0.1648 1.7370 1.7370 1.7544 1.7544 1.8339 1.8339 1.9653 1.9653 1.9931 1.9931 2.0078 2.0078 2.2547 2.2547 2.4058 2.4058 2.4305 2.4305 2.7320 2.7320 7.7251 7.7251 8.8539 8.8539 10.8612 10.8612 11.2463 11.2463 11.8583 11.8583 13.9067 13.9067 14.2133 14.2133 14.5005 14.5005 14.6587 14.6587 15.3301 15.3301 k = 0.0000 0.1765-0.0000 ( 3543 PWs) bands (ev): -30.7261 -30.7261 -11.7139 -11.7139 -10.2797 -10.2797 -10.2735 -10.2735 -0.2548 -0.2548 -0.2384 -0.2384 -0.2336 -0.2336 -0.1771 -0.1771 -0.1770 -0.1770 -0.1626 -0.1626 1.7397 1.7397 1.7605 1.7605 1.8357 1.8357 1.9614 1.9614 1.9922 1.9922 2.0096 2.0096 2.2507 2.2507 2.3963 2.3963 2.4254 2.4254 2.7704 2.7704 7.5835 7.5835 8.8733 8.8733 10.8661 10.8661 11.2789 11.2789 11.9422 11.9422 13.7635 13.7635 14.1629 14.1629 14.4846 14.4846 14.6565 14.6565 15.3422 15.3422 k = 0.0000 0.1912-0.0000 ( 3543 PWs) bands (ev): -30.7260 -30.7260 -11.7143 -11.7143 -10.2807 -10.2807 -10.2736 -10.2736 -0.2541 -0.2541 -0.2348 -0.2348 -0.2297 -0.2297 -0.1753 -0.1753 -0.1752 -0.1752 -0.1603 -0.1603 1.7425 1.7425 1.7669 1.7669 1.8378 1.8378 1.9574 1.9574 1.9913 1.9913 2.0112 2.0112 2.2464 2.2464 2.3863 2.3863 2.4200 2.4200 2.8123 2.8123 7.4401 7.4401 8.8941 8.8941 10.8707 10.8707 11.3093 11.3093 12.0282 12.0282 13.6227 13.6227 14.1154 14.1154 14.4714 14.4714 14.6542 14.6542 15.3538 15.3538 k = 0.0000 0.2059-0.0000 ( 3543 PWs) bands (ev): -30.7260 -30.7260 -11.7147 -11.7147 -10.2818 -10.2818 -10.2737 -10.2737 -0.2534 -0.2534 -0.2310 -0.2310 -0.2255 -0.2255 -0.1735 -0.1735 -0.1734 -0.1734 -0.1579 -0.1579 1.7454 1.7454 1.7736 1.7736 1.8401 1.8401 1.9533 1.9533 1.9904 1.9904 2.0127 2.0127 2.2418 2.2418 2.3760 2.3760 2.4145 2.4145 2.8576 2.8576 7.2954 7.2954 8.9163 8.9163 10.8750 10.8750 11.3379 11.3379 12.1155 12.1155 13.4846 13.4846 14.0713 14.0713 14.4613 14.4613 14.6518 14.6518 15.3648 15.3648 k = 0.0000 0.2206-0.0000 ( 3543 PWs) bands (ev): -30.7260 -30.7260 -11.7151 -11.7151 -10.2829 -10.2829 -10.2738 -10.2738 -0.2526 -0.2526 -0.2271 -0.2271 -0.2212 -0.2212 -0.1716 -0.1716 -0.1715 -0.1715 -0.1555 -0.1555 1.7484 1.7484 1.7806 1.7806 1.8427 1.8427 1.9491 1.9491 1.9894 1.9894 2.0140 2.0140 2.2369 2.2369 2.3652 2.3652 2.4088 2.4088 2.9063 2.9063 7.1501 7.1501 8.9399 8.9399 10.8788 10.8788 11.3650 11.3650 12.2034 12.2034 13.3498 13.3498 14.0308 14.0308 14.4547 14.4547 14.6494 14.6494 15.3754 15.3754 k = 0.0000 0.2353-0.0000 ( 3531 PWs) bands (ev): -30.7259 -30.7259 -11.7155 -11.7155 -10.2840 -10.2840 -10.2739 -10.2739 -0.2519 -0.2519 -0.2231 -0.2231 -0.2168 -0.2168 -0.1696 -0.1696 -0.1696 -0.1696 -0.1531 -0.1531 1.7513 1.7513 1.7878 1.7878 1.8456 1.8456 1.9451 1.9451 1.9883 1.9883 2.0152 2.0152 2.2316 2.2316 2.3543 2.3543 2.4031 2.4031 2.9583 2.9583 7.0048 7.0048 8.9648 8.9648 10.8820 10.8820 11.3907 11.3907 12.2915 12.2915 13.2186 13.2186 13.9944 13.9944 14.4518 14.4518 14.6469 14.6469 15.3855 15.3855 k = 0.0000 0.2500-0.0000 ( 3539 PWs) bands (ev): -30.7259 -30.7259 -11.7159 -11.7159 -10.2851 -10.2851 -10.2740 -10.2740 -0.2511 -0.2511 -0.2191 -0.2191 -0.2123 -0.2123 -0.1677 -0.1677 -0.1677 -0.1677 -0.1507 -0.1507 1.7541 1.7541 1.7950 1.7950 1.8490 1.8490 1.9411 1.9411 1.9871 1.9871 2.0161 2.0161 2.2260 2.2260 2.3432 2.3432 2.3973 2.3973 3.0137 3.0137 6.8597 6.8597 8.9908 8.9908 10.8845 10.8845 11.4149 11.4149 12.3793 12.3793 13.0912 13.0912 13.9620 13.9620 14.4528 14.4528 14.6444 14.6444 15.3951 15.3951 k = 0.0000 0.2647-0.0000 ( 3527 PWs) bands (ev): -30.7259 -30.7259 -11.7163 -11.7163 -10.2862 -10.2862 -10.2741 -10.2741 -0.2503 -0.2503 -0.2149 -0.2149 -0.2076 -0.2076 -0.1658 -0.1658 -0.1657 -0.1657 -0.1484 -0.1484 1.7568 1.7568 1.8022 1.8022 1.8528 1.8528 1.9374 1.9374 1.9859 1.9859 2.0168 2.0168 2.2201 2.2201 2.3322 2.3322 2.3916 2.3916 3.0723 3.0723 6.7153 6.7153 9.0178 9.0178 10.8863 10.8863 11.4377 11.4377 12.4666 12.4666 12.9681 12.9681 13.9338 13.9338 14.4576 14.4576 14.6420 14.6420 15.4043 15.4043 k = 0.0000 0.2794-0.0000 ( 3535 PWs) bands (ev): -30.7259 -30.7259 -11.7168 -11.7168 -10.2874 -10.2874 -10.2742 -10.2742 -0.2496 -0.2496 -0.2108 -0.2108 -0.2030 -0.2030 -0.1640 -0.1640 -0.1638 -0.1638 -0.1462 -0.1462 1.7594 1.7594 1.8091 1.8091 1.8572 1.8572 1.9340 1.9340 1.9847 1.9847 2.0173 2.0173 2.2137 2.2137 2.3212 2.3212 2.3859 2.3859 3.1341 3.1341 6.5720 6.5720 9.0457 9.0457 10.8874 10.8874 11.4589 11.4589 12.5534 12.5534 12.8496 12.8496 13.9098 13.9098 14.4663 14.4663 14.6395 14.6395 15.4130 15.4130 k = 0.0000 0.2941-0.0000 ( 3531 PWs) bands (ev): -30.7258 -30.7258 -11.7172 -11.7172 -10.2884 -10.2884 -10.2743 -10.2743 -0.2489 -0.2489 -0.2067 -0.2067 -0.1983 -0.1983 -0.1622 -0.1622 -0.1619 -0.1619 -0.1441 -0.1441 1.7618 1.7618 1.8156 1.8156 1.8624 1.8624 1.9308 1.9308 1.9834 1.9834 2.0175 2.0175 2.2069 2.2069 2.3105 2.3105 2.3804 2.3804 3.1989 3.1989 6.4301 6.4301 9.0743 9.0743 10.8877 10.8877 11.4785 11.4785 12.6393 12.6393 12.7360 12.7360 13.8897 13.8897 14.4787 14.4787 14.6372 14.6372 15.4213 15.4213 k = 0.0000 0.3088-0.0000 ( 3523 PWs) bands (ev): -30.7258 -30.7258 -11.7176 -11.7176 -10.2895 -10.2895 -10.2743 -10.2743 -0.2482 -0.2482 -0.2027 -0.2027 -0.1936 -0.1936 -0.1605 -0.1605 -0.1600 -0.1600 -0.1422 -0.1422 1.7639 1.7639 1.8216 1.8216 1.8684 1.8684 1.9281 1.9281 1.9821 1.9821 2.0175 2.0175 2.1997 2.1997 2.3002 2.3002 2.3751 2.3751 3.2667 3.2667 6.2899 6.2899 9.1033 9.1033 10.8872 10.8872 11.4966 11.4966 12.6277 12.6277 12.7245 12.7245 13.8733 13.8733 14.4946 14.4946 14.6349 14.6349 15.4292 15.4292 k = 0.0000 0.3235-0.0000 ( 3515 PWs) bands (ev): -30.7258 -30.7258 -11.7180 -11.7180 -10.2905 -10.2905 -10.2744 -10.2744 -0.2475 -0.2475 -0.1988 -0.1988 -0.1890 -0.1890 -0.1589 -0.1589 -0.1582 -0.1582 -0.1404 -0.1404 1.7658 1.7658 1.8270 1.8270 1.8753 1.8753 1.9258 1.9258 1.9807 1.9807 2.0173 2.0173 2.1920 2.1920 2.2904 2.2904 2.3699 2.3699 3.3374 3.3374 6.1516 6.1516 9.1326 9.1326 10.8859 10.8859 11.5129 11.5129 12.5251 12.5251 12.8086 12.8086 13.8601 13.8601 14.5138 14.5138 14.6328 14.6328 15.4366 15.4366 k = 0.0000 0.3382-0.0000 ( 3515 PWs) bands (ev): -30.7257 -30.7257 -11.7184 -11.7184 -10.2915 -10.2915 -10.2745 -10.2745 -0.2468 -0.2468 -0.1949 -0.1949 -0.1844 -0.1844 -0.1574 -0.1574 -0.1565 -0.1565 -0.1388 -0.1388 1.7673 1.7673 1.8317 1.8317 1.8829 1.8829 1.9239 1.9239 1.9794 1.9794 2.0168 2.0168 2.1838 2.1838 2.2812 2.2812 2.3651 2.3651 3.4107 3.4107 6.0157 6.0157 9.1619 9.1619 10.8839 10.8839 11.5275 11.5275 12.4285 12.4285 12.8916 12.8916 13.8496 13.8496 14.5358 14.5358 14.6310 14.6310 15.4436 15.4436 k = 0.0000 0.3529-0.0000 ( 3515 PWs) bands (ev): -30.7257 -30.7257 -11.7187 -11.7187 -10.2924 -10.2924 -10.2746 -10.2746 -0.2462 -0.2462 -0.1913 -0.1913 -0.1800 -0.1800 -0.1560 -0.1560 -0.1548 -0.1548 -0.1374 -0.1374 1.7686 1.7686 1.8358 1.8358 1.8912 1.8912 1.9226 1.9226 1.9781 1.9781 2.0162 2.0162 2.1752 2.1752 2.2727 2.2727 2.3605 2.3605 3.4864 3.4864 5.8824 5.8824 9.1907 9.1907 10.8812 10.8812 11.5404 11.5404 12.3384 12.3384 12.9734 12.9734 13.8411 13.8411 14.5600 14.5600 14.6295 14.6295 15.4501 15.4501 k = 0.0000 0.3676-0.0000 ( 3523 PWs) bands (ev): -30.7257 -30.7257 -11.7190 -11.7190 -10.2933 -10.2933 -10.2747 -10.2747 -0.2456 -0.2456 -0.1878 -0.1878 -0.1758 -0.1758 -0.1548 -0.1548 -0.1532 -0.1532 -0.1363 -0.1363 1.7696 1.7696 1.8394 1.8394 1.8999 1.8999 1.9216 1.9216 1.9769 1.9769 2.0153 2.0153 2.1662 2.1662 2.2650 2.2650 2.3562 2.3562 3.5642 3.5642 5.7523 5.7523 9.2189 9.2189 10.8779 10.8779 11.5516 11.5516 12.2551 12.2551 13.0535 13.0535 13.8338 13.8338 14.5851 14.5851 14.6290 14.6290 15.4561 15.4561 k = 0.0000 0.3824-0.0000 ( 3523 PWs) bands (ev): -30.7257 -30.7257 -11.7193 -11.7193 -10.2941 -10.2941 -10.2748 -10.2748 -0.2451 -0.2451 -0.1846 -0.1846 -0.1718 -0.1718 -0.1537 -0.1537 -0.1518 -0.1518 -0.1354 -0.1354 1.7703 1.7703 1.8425 1.8425 1.9089 1.9089 1.9212 1.9212 1.9758 1.9758 2.0143 2.0143 2.1568 2.1568 2.2582 2.2582 2.3523 2.3523 3.6438 3.6438 5.6257 5.6257 9.2459 9.2459 10.8741 10.8741 11.5613 11.5613 12.1791 12.1791 13.1318 13.1318 13.8267 13.8267 14.6076 14.6076 14.6325 14.6325 15.4617 15.4617 k = 0.0000 0.3971-0.0000 ( 3511 PWs) bands (ev): -30.7256 -30.7256 -11.7196 -11.7196 -10.2948 -10.2948 -10.2748 -10.2748 -0.2446 -0.2446 -0.1816 -0.1816 -0.1680 -0.1680 -0.1527 -0.1527 -0.1504 -0.1504 -0.1347 -0.1347 1.7707 1.7707 1.8452 1.8452 1.9178 1.9178 1.9210 1.9210 1.9750 1.9750 2.0132 2.0132 2.1474 2.1474 2.2523 2.2523 2.3489 2.3489 3.7244 3.7244 5.5034 5.5034 9.2714 9.2714 10.8700 10.8700 11.5695 11.5695 12.1109 12.1109 13.2079 13.2079 13.8187 13.8187 14.6170 14.6170 14.6497 14.6497 15.4667 15.4667 k = 0.0000 0.4118-0.0000 ( 3519 PWs) bands (ev): -30.7256 -30.7256 -11.7199 -11.7199 -10.2954 -10.2954 -10.2749 -10.2749 -0.2442 -0.2442 -0.1789 -0.1789 -0.1646 -0.1646 -0.1519 -0.1519 -0.1491 -0.1491 -0.1343 -0.1343 1.7710 1.7710 1.8475 1.8475 1.9212 1.9212 1.9265 1.9265 1.9744 1.9744 2.0121 2.0121 2.1379 2.1379 2.2472 2.2472 2.3458 2.3458 3.8052 3.8052 5.3863 5.3863 9.2949 9.2949 10.8658 10.8658 11.5763 11.5763 12.0508 12.0508 13.2813 13.2813 13.8088 13.8088 14.6181 14.6181 14.6747 14.6747 15.4712 15.4712 k = 0.0000 0.4265-0.0000 ( 3527 PWs) bands (ev): -30.7256 -30.7256 -11.7201 -11.7201 -10.2960 -10.2960 -10.2749 -10.2749 -0.2439 -0.2439 -0.1765 -0.1765 -0.1615 -0.1615 -0.1513 -0.1513 -0.1480 -0.1480 -0.1341 -0.1341 1.7711 1.7711 1.8495 1.8495 1.9216 1.9216 1.9345 1.9345 1.9742 1.9742 2.0110 2.0110 2.1288 2.1288 2.2429 2.2429 2.3432 2.3432 3.8849 3.8849 5.2759 5.2759 9.3158 9.3158 10.8616 10.8616 11.5818 11.5818 11.9992 11.9992 13.3515 13.3515 13.7961 13.7961 14.6177 14.6177 14.6998 14.6998 15.4753 15.4753 k = 0.0000 0.4412-0.0000 ( 3519 PWs) bands (ev): -30.7256 -30.7256 -11.7202 -11.7202 -10.2964 -10.2964 -10.2750 -10.2750 -0.2436 -0.2436 -0.1745 -0.1745 -0.1589 -0.1589 -0.1508 -0.1508 -0.1469 -0.1469 -0.1342 -0.1342 1.7711 1.7711 1.8511 1.8511 1.9221 1.9221 1.9415 1.9415 1.9746 1.9746 2.0099 2.0099 2.1204 2.1204 2.2395 2.2395 2.3410 2.3410 3.9614 3.9614 5.1741 5.1741 9.3338 9.3338 10.8578 10.8578 11.5862 11.5862 11.9564 11.9564 13.4177 13.4177 13.7795 13.7795 14.6171 14.6171 14.7227 14.7227 15.4788 15.4788 k = 0.0000 0.4559-0.0000 ( 3522 PWs) bands (ev): -30.7256 -30.7256 -11.7204 -11.7204 -10.2968 -10.2968 -10.2750 -10.2750 -0.2433 -0.2433 -0.1729 -0.1729 -0.1568 -0.1568 -0.1504 -0.1504 -0.1459 -0.1459 -0.1344 -0.1344 1.7710 1.7710 1.8524 1.8524 1.9226 1.9226 1.9469 1.9469 1.9756 1.9756 2.0090 2.0090 2.1130 2.1130 2.2368 2.2368 2.3393 2.3393 4.0315 4.0315 5.0844 5.0844 9.3483 9.3483 10.8544 10.8544 11.5894 11.5894 11.9229 11.9229 13.4790 13.4790 13.7586 13.7586 14.6165 14.6165 14.7421 14.7421 15.4817 15.4817 k = 0.0000 0.4706-0.0000 ( 3522 PWs) bands (ev): -30.7256 -30.7256 -11.7205 -11.7205 -10.2970 -10.2970 -10.2750 -10.2750 -0.2432 -0.2432 -0.1717 -0.1717 -0.1552 -0.1552 -0.1502 -0.1502 -0.1450 -0.1450 -0.1347 -0.1347 1.7710 1.7710 1.8533 1.8533 1.9230 1.9230 1.9505 1.9505 1.9771 1.9771 2.0083 2.0083 2.1071 2.1071 2.2349 2.2349 2.3381 2.3381 4.0901 4.0901 5.0117 5.0117 9.3590 9.3590 10.8518 10.8518 11.5917 11.5917 11.8988 11.8988 13.5338 13.5338 13.7337 13.7337 14.6161 14.6161 14.7569 14.7569 15.4839 15.4839 k = 0.0000 0.4853-0.0000 ( 3522 PWs) bands (ev): -30.7256 -30.7256 -11.7205 -11.7205 -10.2972 -10.2972 -10.2750 -10.2750 -0.2431 -0.2431 -0.1710 -0.1710 -0.1543 -0.1543 -0.1500 -0.1500 -0.1444 -0.1444 -0.1350 -0.1350 1.7709 1.7709 1.8539 1.8539 1.9233 1.9233 1.9525 1.9525 1.9784 1.9784 2.0079 2.0079 2.1034 2.1034 2.2338 2.2338 2.3373 2.3373 4.1303 4.1303 4.9631 4.9631 9.3655 9.3655 10.8502 10.8502 11.5930 11.5930 11.8842 11.8842 13.5783 13.5783 13.7075 13.7075 14.6158 14.6158 14.7661 14.7661 15.4854 15.4854 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2750 -10.2750 -0.2430 -0.2430 -0.1707 -0.1707 -0.1540 -0.1540 -0.1500 -0.1500 -0.1442 -0.1442 -0.1351 -0.1351 1.7709 1.7709 1.8541 1.8541 1.9234 1.9234 1.9532 1.9532 1.9790 1.9790 2.0078 2.0078 2.1021 2.1021 2.2334 2.2334 2.3371 2.3371 4.1448 4.1448 4.9458 4.9458 9.3678 9.3678 10.8497 10.8497 11.5935 11.5935 11.8793 11.8793 13.5988 13.5988 13.6932 13.6932 14.6157 14.6157 14.7692 14.7692 15.4859 15.4859 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2750 -10.2750 -0.2430 -0.2430 -0.1707 -0.1707 -0.1540 -0.1540 -0.1500 -0.1500 -0.1442 -0.1442 -0.1351 -0.1351 1.7709 1.7709 1.8541 1.8541 1.9234 1.9234 1.9532 1.9532 1.9790 1.9790 2.0078 2.0078 2.1021 2.1021 2.2334 2.2334 2.3371 2.3371 4.1448 4.1448 4.9458 4.9458 9.3678 9.3678 10.8497 10.8497 11.5935 11.5935 11.8793 11.8793 13.5988 13.5988 13.6932 13.6932 14.6157 14.6157 14.7692 14.7692 15.4859 15.4859 k = 0.0147 0.5000-0.0000 ( 3526 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2751 -10.2751 -0.2429 -0.2429 -0.1710 -0.1710 -0.1539 -0.1539 -0.1498 -0.1498 -0.1446 -0.1446 -0.1347 -0.1347 1.7710 1.7710 1.8540 1.8540 1.9228 1.9228 1.9540 1.9540 1.9788 1.9788 2.0078 2.0078 2.1022 2.1022 2.2332 2.2332 2.3366 2.3366 4.1461 4.1461 4.9478 4.9478 9.3564 9.3564 10.8561 10.8561 11.5989 11.5989 11.8764 11.8764 13.5629 13.5629 13.7169 13.7169 14.5848 14.5848 14.8015 14.8015 15.5014 15.5014 k = 0.0294 0.5000-0.0000 ( 3526 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2752 -10.2752 -0.2425 -0.2425 -0.1716 -0.1716 -0.1537 -0.1537 -0.1493 -0.1493 -0.1457 -0.1457 -0.1336 -0.1336 1.7713 1.7713 1.8540 1.8540 1.9210 1.9210 1.9562 1.9562 1.9784 1.9784 2.0080 2.0080 2.1025 2.1025 2.2325 2.2325 2.3353 2.3353 4.1502 4.1502 4.9537 4.9537 9.3231 9.3231 10.8745 10.8745 11.6151 11.6151 11.8673 11.8673 13.4955 13.4955 13.7477 13.7477 14.5272 14.5272 14.8658 14.8658 15.5421 15.5421 k = 0.0441 0.5000-0.0000 ( 3526 PWs) bands (ev): -30.7256 -30.7256 -11.7207 -11.7207 -10.2972 -10.2972 -10.2753 -10.2753 -0.2419 -0.2419 -0.1726 -0.1726 -0.1535 -0.1535 -0.1485 -0.1485 -0.1472 -0.1472 -0.1321 -0.1321 1.7719 1.7719 1.8539 1.8539 1.9186 1.9186 1.9594 1.9594 1.9778 1.9778 2.0083 2.0083 2.1031 2.1031 2.2314 2.2314 2.3332 2.3332 4.1569 4.1569 4.9636 4.9636 9.2703 9.2703 10.9022 10.9022 11.6420 11.6420 11.8518 11.8518 13.4204 13.4204 13.7620 13.7620 14.4709 14.4709 14.9395 14.9395 15.5829 15.5829 k = 0.0588 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7207 -11.7207 -10.2972 -10.2972 -10.2755 -10.2755 -0.2410 -0.2410 -0.1738 -0.1738 -0.1532 -0.1532 -0.1490 -0.1490 -0.1471 -0.1471 -0.1305 -0.1305 1.7727 1.7727 1.8538 1.8538 1.9159 1.9159 1.9633 1.9633 1.9770 1.9770 2.0088 2.0088 2.1039 2.1039 2.2298 2.2298 2.3302 2.3302 4.1663 4.1663 4.9774 4.9774 9.2009 9.2009 10.9359 10.9359 11.6790 11.6790 11.8297 11.8297 13.3448 13.3448 13.7541 13.7541 14.4257 14.4257 15.0177 15.0177 15.5807 15.5807 k = 0.0735 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7208 -11.7208 -10.2972 -10.2972 -10.2758 -10.2758 -0.2400 -0.2400 -0.1752 -0.1752 -0.1531 -0.1531 -0.1507 -0.1507 -0.1458 -0.1458 -0.1288 -0.1288 1.7737 1.7737 1.8536 1.8536 1.9131 1.9131 1.9673 1.9673 1.9762 1.9762 2.0094 2.0094 2.1049 2.1049 2.2277 2.2277 2.3264 2.3264 4.1784 4.1784 4.9951 4.9951 9.1181 9.1181 10.9720 10.9720 11.7228 11.7228 11.8036 11.8036 13.2733 13.2733 13.7238 13.7238 14.3949 14.3949 15.0969 15.0969 15.5475 15.5475 k = 0.0882 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7209 -11.7209 -10.2972 -10.2972 -10.2761 -10.2761 -0.2386 -0.2386 -0.1767 -0.1767 -0.1532 -0.1532 -0.1522 -0.1522 -0.1442 -0.1442 -0.1271 -0.1271 1.7749 1.7749 1.8535 1.8535 1.9104 1.9104 1.9705 1.9705 1.9762 1.9762 2.0101 2.0101 2.1060 2.1060 2.2253 2.2253 2.3218 2.3218 4.1932 4.1932 5.0165 5.0165 9.0248 9.0248 11.0071 11.0071 11.7389 11.7389 11.8070 11.8070 13.2094 13.2094 13.6744 13.6744 14.3774 14.3774 15.1680 15.1680 15.5174 15.5174 k = 0.1029 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7210 -11.7210 -10.2972 -10.2972 -10.2764 -10.2764 -0.2371 -0.2371 -0.1783 -0.1783 -0.1546 -0.1546 -0.1524 -0.1524 -0.1425 -0.1425 -0.1254 -0.1254 1.7764 1.7764 1.8533 1.8533 1.9079 1.9079 1.9711 1.9711 1.9788 1.9788 2.0109 2.0109 2.1073 2.1073 2.2225 2.2225 2.3165 2.3165 4.2106 4.2106 5.0416 5.0416 8.9235 8.9235 11.0380 11.0380 11.7005 11.7005 11.8665 11.8665 13.1559 13.1559 13.6117 13.6117 14.3701 14.3701 15.2110 15.2110 15.5189 15.5189 k = 0.1176 0.5000-0.0000 ( 3518 PWs) bands (ev): -30.7255 -30.7255 -11.7212 -11.7212 -10.2972 -10.2972 -10.2768 -10.2768 -0.2354 -0.2354 -0.1799 -0.1799 -0.1564 -0.1564 -0.1522 -0.1522 -0.1407 -0.1407 -0.1238 -0.1238 1.7781 1.7781 1.8532 1.8532 1.9057 1.9057 1.9700 1.9700 1.9831 1.9831 2.0119 2.0119 2.1086 2.1086 2.2192 2.2192 2.3104 2.3104 4.2307 4.2307 5.0704 5.0704 8.8160 8.8160 11.0612 11.0612 11.6499 11.6499 11.9409 11.9409 13.1144 13.1144 13.5409 13.5409 14.3698 14.3698 15.2092 15.2092 15.5710 15.5710 k = 0.1324 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7213 -11.7213 -10.2972 -10.2972 -10.2772 -10.2772 -0.2334 -0.2334 -0.1816 -0.1816 -0.1581 -0.1581 -0.1520 -0.1520 -0.1388 -0.1388 -0.1222 -0.1222 1.7800 1.7800 1.8531 1.8531 1.9038 1.9038 1.9684 1.9684 1.9875 1.9875 2.0129 2.0129 2.1100 2.1100 2.2157 2.2157 2.3037 2.3037 4.2534 4.2534 5.1027 5.1027 8.7039 8.7039 11.0715 11.0715 11.5981 11.5981 12.0229 12.0229 13.0855 13.0855 13.4663 13.4663 14.3737 14.3737 15.1759 15.1759 15.6611 15.6611 k = 0.1471 0.5000-0.0000 ( 3518 PWs) bands (ev): -30.7255 -30.7255 -11.7215 -11.7215 -10.2973 -10.2973 -10.2777 -10.2777 -0.2313 -0.2313 -0.1832 -0.1832 -0.1599 -0.1599 -0.1517 -0.1517 -0.1370 -0.1370 -0.1207 -0.1207 1.7821 1.7821 1.8530 1.8530 1.9023 1.9023 1.9667 1.9667 1.9920 1.9920 2.0139 2.0139 2.1114 2.1114 2.2118 2.2118 2.2965 2.2965 4.2788 4.2788 5.1385 5.1385 8.5883 8.5883 11.0621 11.0621 11.5542 11.5542 12.1100 12.1100 13.0687 13.0687 13.3915 13.3915 14.3802 14.3802 15.1299 15.1299 15.7702 15.7702 k = 0.1618 0.5000-0.0000 ( 3512 PWs) bands (ev): -30.7254 -30.7254 -11.7216 -11.7216 -10.2973 -10.2973 -10.2782 -10.2782 -0.2290 -0.2290 -0.1848 -0.1848 -0.1615 -0.1615 -0.1515 -0.1515 -0.1351 -0.1351 -0.1193 -0.1193 1.7845 1.7845 1.8529 1.8529 1.9012 1.9012 1.9650 1.9650 1.9962 1.9962 2.0151 2.0151 2.1129 2.1129 2.2076 2.2076 2.2887 2.2887 4.3068 4.3068 5.1775 5.1775 8.4704 8.4704 11.0260 11.0260 11.5269 11.5269 12.2004 12.2004 13.0618 13.0618 13.3198 13.3198 14.3881 14.3881 15.0802 15.0802 15.8886 15.8886 k = 0.1765 0.5000-0.0000 ( 3516 PWs) bands (ev): -30.7254 -30.7254 -11.7218 -11.7218 -10.2973 -10.2973 -10.2787 -10.2787 -0.2266 -0.2266 -0.1865 -0.1865 -0.1631 -0.1631 -0.1512 -0.1512 -0.1332 -0.1332 -0.1179 -0.1179 1.7870 1.7870 1.8529 1.8529 1.9004 1.9004 1.9633 1.9633 2.0001 2.0001 2.0162 2.0162 2.1144 2.1144 2.2031 2.2031 2.2804 2.2804 4.3374 4.3374 5.2196 5.2196 8.3508 8.3508 10.9616 10.9616 11.5200 11.5200 12.2926 12.2926 13.0599 13.0599 13.2567 13.2567 14.3967 14.3967 15.0308 15.0308 16.0074 16.0074 k = 0.1912 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7254 -30.7254 -11.7220 -11.7220 -10.2974 -10.2974 -10.2792 -10.2792 -0.2240 -0.2240 -0.1881 -0.1881 -0.1647 -0.1647 -0.1510 -0.1510 -0.1314 -0.1314 -0.1168 -0.1168 1.7898 1.7898 1.8530 1.8530 1.9001 1.9001 1.9617 1.9617 2.0035 2.0035 2.0175 2.0175 2.1158 2.1158 2.1983 2.1983 2.2718 2.2718 4.3706 4.3706 5.2647 5.2647 8.2302 8.2302 10.8736 10.8736 11.5307 11.5307 12.3850 12.3850 13.0517 13.0517 13.2137 13.2137 14.4054 14.4054 14.9835 14.9835 16.0659 16.0659 k = 0.2059 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7254 -30.7254 -11.7222 -11.7222 -10.2975 -10.2975 -10.2797 -10.2797 -0.2214 -0.2214 -0.1896 -0.1896 -0.1661 -0.1661 -0.1508 -0.1508 -0.1295 -0.1295 -0.1157 -0.1157 1.7928 1.7928 1.8531 1.8531 1.9003 1.9003 1.9602 1.9602 2.0063 2.0063 2.0189 2.0189 2.1173 2.1173 2.1933 2.1933 2.2630 2.2630 4.4063 4.4063 5.3127 5.3127 8.1092 8.1092 10.7690 10.7690 11.5540 11.5540 12.4756 12.4756 13.0228 13.0228 13.2054 13.2054 14.4138 14.4138 14.9395 14.9395 16.0272 16.0272 k = 0.2206 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7253 -30.7253 -11.7224 -11.7224 -10.2976 -10.2976 -10.2802 -10.2802 -0.2186 -0.2186 -0.1911 -0.1911 -0.1673 -0.1673 -0.1505 -0.1505 -0.1277 -0.1277 -0.1147 -0.1147 1.7960 1.7960 1.8534 1.8534 1.9008 1.9008 1.9589 1.9589 2.0083 2.0083 2.0205 2.0205 2.1188 2.1188 2.1880 2.1880 2.2540 2.2540 4.4446 4.4446 5.3632 5.3632 7.9881 7.9881 10.6538 10.6538 11.5854 11.5854 12.5616 12.5616 12.9789 12.9789 13.2277 13.2277 14.4215 14.4215 14.8996 14.8996 15.9746 15.9746 k = 0.2353 0.5000-0.0000 ( 3538 PWs) bands (ev): -30.7253 -30.7253 -11.7226 -11.7226 -10.2977 -10.2977 -10.2807 -10.2807 -0.2159 -0.2159 -0.1926 -0.1926 -0.1685 -0.1685 -0.1503 -0.1503 -0.1260 -0.1260 -0.1139 -0.1139 1.7995 1.7995 1.8539 1.8539 1.9017 1.9017 1.9578 1.9578 2.0096 2.0096 2.0222 2.0222 2.1202 2.1202 2.1825 2.1825 2.2451 2.2451 4.4853 4.4853 5.4162 5.4162 7.8674 7.8674 10.5320 10.5320 11.6223 11.6223 12.6368 12.6368 12.9376 12.9376 13.2675 13.2675 14.4282 14.4282 14.8645 14.8645 15.9182 15.9182 k = 0.2500 0.5000-0.0000 ( 3530 PWs) bands (ev): -30.7253 -30.7253 -11.7228 -11.7228 -10.2978 -10.2978 -10.2812 -10.2812 -0.2132 -0.2132 -0.1940 -0.1940 -0.1694 -0.1694 -0.1501 -0.1501 -0.1243 -0.1243 -0.1132 -0.1132 1.8031 1.8031 1.8545 1.8545 1.9030 1.9030 1.9570 1.9570 2.0102 2.0102 2.0239 2.0239 2.1215 2.1215 2.1767 2.1767 2.2363 2.2363 4.5284 4.5284 5.4713 5.4713 7.7475 7.7475 10.4064 10.4064 11.6629 11.6629 12.6858 12.6858 12.9200 12.9200 13.3181 13.3181 14.4337 14.4337 14.8346 14.8346 15.8597 15.8597 k = 0.2647 0.5000-0.0000 ( 3540 PWs) bands (ev): -30.7253 -30.7253 -11.7231 -11.7231 -10.2980 -10.2980 -10.2816 -10.2816 -0.2106 -0.2106 -0.1953 -0.1953 -0.1702 -0.1702 -0.1499 -0.1499 -0.1227 -0.1227 -0.1126 -0.1126 1.8069 1.8069 1.8552 1.8552 1.9046 1.9046 1.9564 1.9564 2.0101 2.0101 2.0253 2.0253 2.1227 2.1227 2.1707 2.1707 2.2279 2.2279 4.5738 4.5738 5.5283 5.5283 7.6286 7.6286 10.2791 10.2791 11.7060 11.7060 12.6898 12.6898 12.9468 12.9468 13.3761 13.3761 14.4380 14.4380 14.8102 14.8102 15.8001 15.8001 k = 0.2794 0.5000-0.0000 ( 3528 PWs) bands (ev): -30.7252 -30.7252 -11.7233 -11.7233 -10.2982 -10.2982 -10.2821 -10.2821 -0.2081 -0.2081 -0.1965 -0.1965 -0.1706 -0.1706 -0.1497 -0.1497 -0.1212 -0.1212 -0.1122 -0.1122 1.8108 1.8108 1.8561 1.8561 1.9065 1.9065 1.9562 1.9562 2.0095 2.0095 2.0266 2.0266 2.1234 2.1234 2.1646 2.1646 2.2200 2.2200 4.6215 4.6215 5.5869 5.5869 7.5110 7.5110 10.1515 10.1515 11.7509 11.7509 12.6603 12.6603 13.0074 13.0074 13.4395 13.4395 14.4412 14.4412 14.7913 14.7913 15.7402 15.7402 k = 0.2941 0.5000-0.0000 ( 3528 PWs) bands (ev): -30.7252 -30.7252 -11.7235 -11.7235 -10.2984 -10.2984 -10.2825 -10.2825 -0.2059 -0.2059 -0.1976 -0.1976 -0.1708 -0.1708 -0.1495 -0.1495 -0.1198 -0.1198 -0.1119 -0.1119 1.8150 1.8150 1.8572 1.8572 1.9087 1.9087 1.9563 1.9563 2.0083 2.0083 2.0274 2.0274 2.1233 2.1233 2.1588 2.1588 2.2128 2.2128 4.6714 4.6714 5.6468 5.6468 7.3951 7.3951 10.0251 10.0251 11.7968 11.7968 12.6187 12.6187 13.0808 13.0808 13.5067 13.5067 14.4439 14.4439 14.7778 14.7778 15.6807 15.6807 k = 0.3088 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7252 -30.7252 -11.7237 -11.7237 -10.2986 -10.2986 -10.2828 -10.2828 -0.2041 -0.2041 -0.1985 -0.1985 -0.1705 -0.1705 -0.1493 -0.1493 -0.1186 -0.1186 -0.1116 -0.1116 1.8192 1.8192 1.8585 1.8585 1.9111 1.9111 1.9568 1.9568 2.0067 2.0067 2.0278 2.0278 2.1219 2.1219 2.1539 2.1539 2.2062 2.2062 4.7233 4.7233 5.7075 5.7075 7.2812 7.2812 9.9007 9.9007 11.8433 11.8433 12.5743 12.5743 13.1576 13.1576 13.5762 13.5762 14.4471 14.4471 14.7690 14.7690 15.6225 15.6225 k = 0.3235 0.5000-0.0000 ( 3520 PWs) bands (ev): -30.7252 -30.7252 -11.7239 -11.7239 -10.2988 -10.2988 -10.2832 -10.2832 -0.2031 -0.2031 -0.1989 -0.1989 -0.1699 -0.1699 -0.1492 -0.1492 -0.1175 -0.1175 -0.1114 -0.1114 1.8236 1.8236 1.8599 1.8599 1.9138 1.9138 1.9576 1.9576 2.0047 2.0047 2.0278 2.0278 2.1184 2.1184 2.1506 2.1506 2.2005 2.2005 4.7770 4.7770 5.7686 5.7686 7.1694 7.1694 9.7794 9.7794 11.8897 11.8897 12.5307 12.5307 13.2344 13.2344 13.6466 13.6466 14.4518 14.4518 14.7643 14.7643 15.5667 15.5667 k = 0.3382 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7251 -30.7251 -11.7241 -11.7241 -10.2991 -10.2991 -10.2834 -10.2834 -0.2030 -0.2030 -0.1986 -0.1986 -0.1689 -0.1689 -0.1490 -0.1490 -0.1168 -0.1168 -0.1112 -0.1112 1.8280 1.8280 1.8613 1.8613 1.9168 1.9168 1.9588 1.9588 2.0023 2.0023 2.0274 2.0274 2.1127 2.1127 2.1490 2.1490 2.1954 2.1954 4.8324 4.8324 5.8295 5.8295 7.0603 7.0603 9.6620 9.6620 11.9354 11.9354 12.4893 12.4893 13.3095 13.3095 13.7166 13.7166 14.4595 14.4595 14.7628 14.7628 15.5141 15.5141 k = 0.3529 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7251 -30.7251 -11.7242 -11.7242 -10.2993 -10.2993 -10.2837 -10.2837 -0.2034 -0.2034 -0.1980 -0.1980 -0.1675 -0.1675 -0.1489 -0.1489 -0.1164 -0.1164 -0.1109 -0.1109 1.8324 1.8324 1.8628 1.8628 1.9201 1.9201 1.9603 1.9603 1.9996 1.9996 2.0265 2.0265 2.1054 2.1054 2.1488 2.1488 2.1911 2.1911 4.8892 4.8892 5.8898 5.8898 6.9541 6.9541 9.5496 9.5496 11.9800 11.9800 12.4509 12.4509 13.3813 13.3813 13.7851 13.7851 14.4713 14.4713 14.7635 14.7635 15.4659 15.4659 k = 0.3676 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7251 -30.7251 -11.7244 -11.7244 -10.2996 -10.2996 -10.2839 -10.2839 -0.2041 -0.2041 -0.1974 -0.1974 -0.1658 -0.1658 -0.1488 -0.1488 -0.1165 -0.1165 -0.1104 -0.1104 1.8369 1.8369 1.8643 1.8643 1.9237 1.9237 1.9620 1.9620 1.9968 1.9968 2.0252 2.0252 2.0971 2.0971 2.1494 2.1494 2.1875 2.1875 4.9470 4.9470 5.9486 5.9486 6.8514 6.8514 9.4430 9.4430 12.0228 12.0228 12.4159 12.4159 13.4488 13.4488 13.8514 13.8514 14.4884 14.4884 14.7656 14.7656 15.4233 15.4233 k = 0.3824 0.5000-0.0000 ( 3514 PWs) bands (ev): -30.7251 -30.7251 -11.7245 -11.7245 -10.2998 -10.2998 -10.2841 -10.2841 -0.2047 -0.2047 -0.1970 -0.1970 -0.1638 -0.1638 -0.1487 -0.1487 -0.1168 -0.1168 -0.1098 -0.1098 1.8413 1.8413 1.8658 1.8658 1.9276 1.9276 1.9640 1.9640 1.9938 1.9938 2.0234 2.0234 2.0883 2.0883 2.1504 2.1504 2.1844 2.1844 5.0054 5.0054 6.0052 6.0052 6.7527 6.7527 9.3431 9.3431 12.0631 12.0631 12.3847 12.3847 13.5106 13.5106 13.9148 13.9148 14.5113 14.5113 14.7683 14.7683 15.3875 15.3875 k = 0.3971 0.5000-0.0000 ( 3518 PWs) bands (ev): -30.7251 -30.7251 -11.7247 -11.7247 -10.3001 -10.3001 -10.2843 -10.2843 -0.2054 -0.2054 -0.1968 -0.1968 -0.1617 -0.1617 -0.1486 -0.1486 -0.1175 -0.1175 -0.1092 -0.1092 1.8455 1.8455 1.8671 1.8671 1.9319 1.9319 1.9659 1.9659 1.9909 1.9909 2.0212 2.0212 2.0796 2.0796 2.1515 2.1515 2.1819 2.1819 5.0636 5.0636 6.0588 6.0588 6.6588 6.6588 9.2510 9.2510 12.1000 12.1000 12.3575 12.3575 13.5653 13.5653 13.9750 13.9750 14.5401 14.5401 14.7710 14.7710 15.3593 15.3593 k = 0.4118 0.5000-0.0000 ( 3526 PWs) bands (ev): -30.7251 -30.7251 -11.7248 -11.7248 -10.3003 -10.3003 -10.2844 -10.2844 -0.2060 -0.2060 -0.1967 -0.1967 -0.1595 -0.1595 -0.1484 -0.1484 -0.1183 -0.1183 -0.1086 -0.1086 1.8495 1.8495 1.8683 1.8683 1.9364 1.9364 1.9676 1.9676 1.9882 1.9882 2.0186 2.0186 2.0711 2.0711 2.1526 2.1526 2.1798 2.1798 5.1207 5.1207 6.1082 6.1082 6.5706 6.5706 9.1679 9.1679 12.1328 12.1328 12.3348 12.3348 13.6119 13.6119 14.0317 14.0317 14.5743 14.5743 14.7732 14.7732 15.3390 15.3390 k = 0.4265 0.5000-0.0000 ( 3522 PWs) bands (ev): -30.7250 -30.7250 -11.7249 -11.7249 -10.3005 -10.3005 -10.2845 -10.2845 -0.2065 -0.2065 -0.1967 -0.1967 -0.1575 -0.1575 -0.1483 -0.1483 -0.1192 -0.1192 -0.1080 -0.1080 1.8532 1.8532 1.8694 1.8694 1.9413 1.9413 1.9689 1.9689 1.9861 1.9861 2.0156 2.0156 2.0633 2.0633 2.1536 2.1536 2.1782 2.1782 5.1756 5.1756 6.1525 6.1525 6.4896 6.4896 9.0948 9.0948 12.1603 12.1603 12.3171 12.3171 13.6501 13.6501 14.0840 14.0840 14.6130 14.6130 14.7751 14.7751 15.3254 15.3254 k = 0.4412 0.5000-0.0000 ( 3520 PWs) bands (ev): -30.7250 -30.7250 -11.7250 -11.7250 -10.3006 -10.3006 -10.2846 -10.2846 -0.2069 -0.2069 -0.1967 -0.1967 -0.1556 -0.1556 -0.1481 -0.1481 -0.1202 -0.1202 -0.1075 -0.1075 1.8565 1.8565 1.8702 1.8702 1.9463 1.9463 1.9695 1.9695 1.9848 1.9848 2.0123 2.0123 2.0564 2.0564 2.1545 2.1545 2.1770 2.1770 5.2265 5.2265 6.1903 6.1903 6.4177 6.4177 9.0329 9.0329 12.1814 12.1814 12.3048 12.3048 13.6798 13.6798 14.1305 14.1305 14.6543 14.6543 14.7771 14.7771 15.3148 15.3148 k = 0.4559 0.5000-0.0000 ( 3528 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3008 -10.3008 -10.2847 -10.2847 -0.2072 -0.2072 -0.1967 -0.1967 -0.1540 -0.1540 -0.1479 -0.1479 -0.1211 -0.1211 -0.1071 -0.1071 1.8592 1.8592 1.8709 1.8709 1.9512 1.9512 1.9693 1.9693 1.9843 1.9843 2.0089 2.0089 2.0507 2.0507 2.1551 2.1551 2.1761 2.1761 5.2710 5.2710 6.2201 6.2201 6.3578 6.3578 8.9833 8.9833 12.1955 12.1955 12.2983 12.2983 13.7017 13.7017 14.1693 14.1693 14.6945 14.6945 14.7811 14.7811 15.3004 15.3004 k = 0.4706 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3009 -10.3009 -10.2847 -10.2847 -0.2075 -0.2075 -0.1968 -0.1968 -0.1529 -0.1529 -0.1477 -0.1477 -0.1219 -0.1219 -0.1069 -0.1069 1.8612 1.8612 1.8714 1.8714 1.9557 1.9557 1.9686 1.9686 1.9843 1.9843 2.0058 2.0058 2.0465 2.0465 2.1556 2.1556 2.1755 2.1755 5.3063 5.3063 6.2396 6.2396 6.3141 6.3141 8.9470 8.9470 12.2031 12.2031 12.2965 12.2965 13.7166 13.7166 14.1985 14.1985 14.7260 14.7260 14.7914 14.7914 15.2760 15.2760 k = 0.4853 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3009 -10.3009 -10.2848 -10.2848 -0.2076 -0.2076 -0.1968 -0.1968 -0.1522 -0.1522 -0.1475 -0.1475 -0.1224 -0.1224 -0.1067 -0.1067 1.8625 1.8625 1.8717 1.8717 1.9591 1.9591 1.9678 1.9678 1.9843 1.9843 2.0035 2.0035 2.0438 2.0438 2.1559 2.1559 2.1751 2.1751 5.3292 5.3292 6.2453 6.2453 6.2925 6.2925 8.9249 8.9249 12.2062 12.2062 12.2970 12.2970 13.7251 13.7251 14.2166 14.2166 14.7414 14.7414 14.8081 14.8081 15.2489 15.2489 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3009 -10.3009 -10.2848 -10.2848 -0.2077 -0.2077 -0.1968 -0.1968 -0.1520 -0.1520 -0.1474 -0.1474 -0.1225 -0.1225 -0.1066 -0.1066 1.8630 1.8630 1.8718 1.8718 1.9605 1.9605 1.9673 1.9673 1.9842 1.9842 2.0027 2.0027 2.0429 2.0429 2.1560 2.1560 2.1750 2.1750 5.3372 5.3372 6.2437 6.2437 6.2885 6.2885 8.9175 8.9175 12.2070 12.2070 12.2975 12.2975 13.7279 13.7279 14.2227 14.2227 14.7452 14.7452 14.8169 14.8169 15.2367 15.2367 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3009 -10.3009 -10.2848 -10.2848 -0.2077 -0.2077 -0.1968 -0.1968 -0.1520 -0.1520 -0.1474 -0.1474 -0.1225 -0.1225 -0.1066 -0.1066 1.8630 1.8630 1.8718 1.8718 1.9605 1.9605 1.9673 1.9673 1.9842 1.9842 2.0027 2.0027 2.0429 2.0429 2.1560 2.1560 2.1750 2.1750 5.3372 5.3372 6.2437 6.2437 6.2885 6.2885 8.9175 8.9175 12.2070 12.2070 12.2975 12.2975 13.7279 13.7279 14.2227 14.2227 14.7452 14.7452 14.8169 14.8169 15.2367 15.2367 k = 0.4896 0.4896-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3009 -10.3009 -10.2848 -10.2848 -0.2076 -0.2076 -0.1968 -0.1968 -0.1522 -0.1522 -0.1475 -0.1475 -0.1224 -0.1224 -0.1067 -0.1067 1.8625 1.8625 1.8717 1.8717 1.9591 1.9591 1.9678 1.9678 1.9842 1.9842 2.0036 2.0036 2.0438 2.0438 2.1559 2.1559 2.1751 2.1751 5.3291 5.3291 6.2465 6.2465 6.2913 6.2913 8.9250 8.9250 12.2062 12.2062 12.2970 12.2970 13.7251 13.7251 14.2166 14.2166 14.7411 14.7411 14.8085 14.8085 15.2491 15.2491 k = 0.4792 0.4792-0.0000 ( 3534 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3009 -10.3009 -10.2847 -10.2847 -0.2075 -0.2075 -0.1968 -0.1968 -0.1528 -0.1528 -0.1477 -0.1477 -0.1219 -0.1219 -0.1069 -0.1069 1.8611 1.8611 1.8716 1.8716 1.9554 1.9554 1.9690 1.9690 1.9837 1.9837 2.0063 2.0063 2.0463 2.0463 2.1556 2.1556 2.1755 2.1755 5.3054 5.3054 6.2541 6.2541 6.3004 6.3004 8.9472 8.9472 12.2034 12.2034 12.2962 12.2962 13.7154 13.7154 14.1996 14.1996 14.7226 14.7226 14.7968 14.7968 15.2798 15.2798 k = 0.4688 0.4687-0.0000 ( 3524 PWs) bands (ev): -30.7250 -30.7250 -11.7251 -11.7251 -10.3008 -10.3008 -10.2847 -10.2847 -0.2073 -0.2073 -0.1967 -0.1967 -0.1539 -0.1539 -0.1481 -0.1481 -0.1211 -0.1211 -0.1071 -0.1071 1.8587 1.8587 1.8716 1.8716 1.9506 1.9506 1.9703 1.9703 1.9824 1.9824 2.0107 2.0107 2.0502 2.0502 2.1552 2.1552 2.1761 2.1761 5.2675 5.2675 6.2645 6.2645 6.3166 6.3166 8.9838 8.9838 12.1970 12.1970 12.2967 12.2967 13.6958 13.6958 14.1755 14.1755 14.6867 14.6867 14.7976 14.7976 15.3169 15.3169 k = 0.4583 0.4583-0.0000 ( 3516 PWs) bands (ev): -30.7250 -30.7250 -11.7250 -11.7250 -10.3006 -10.3006 -10.2846 -10.2846 -0.2070 -0.2070 -0.1966 -0.1966 -0.1554 -0.1554 -0.1485 -0.1485 -0.1202 -0.1202 -0.1075 -0.1075 1.8555 1.8555 1.8719 1.8719 1.9452 1.9452 1.9706 1.9706 1.9816 1.9816 2.0162 2.0162 2.0550 2.0550 2.1548 2.1548 2.1770 2.1770 5.2171 5.2171 6.2764 6.2764 6.3402 6.3402 9.0340 9.0340 12.1853 12.1853 12.3005 12.3005 13.6618 13.6618 14.1510 14.1510 14.6449 14.6449 14.8083 14.8083 15.3520 15.3520 k = 0.4479 0.4479-0.0000 ( 3522 PWs) bands (ev): -30.7250 -30.7250 -11.7249 -11.7249 -10.3004 -10.3004 -10.2845 -10.2845 -0.2067 -0.2067 -0.1964 -0.1964 -0.1571 -0.1571 -0.1490 -0.1490 -0.1192 -0.1192 -0.1079 -0.1079 1.8515 1.8515 1.8724 1.8724 1.9397 1.9397 1.9686 1.9686 1.9824 1.9824 2.0222 2.0222 2.0605 2.0605 2.1543 2.1543 2.1783 2.1783 5.1564 5.1564 6.2896 6.2896 6.3702 6.3702 9.0970 9.0970 12.1676 12.1676 12.3086 12.3086 13.6093 13.6093 14.1338 14.1338 14.6044 14.6044 14.8251 14.8251 15.3812 15.3812 k = 0.4375 0.4375-0.0000 ( 3522 PWs) bands (ev): -30.7251 -30.7251 -11.7248 -11.7248 -10.3002 -10.3002 -10.2844 -10.2844 -0.2065 -0.2065 -0.1962 -0.1962 -0.1592 -0.1592 -0.1495 -0.1495 -0.1184 -0.1184 -0.1083 -0.1083 1.8471 1.8471 1.8731 1.8731 1.9340 1.9340 1.9651 1.9651 1.9845 1.9845 2.0285 2.0285 2.0665 2.0665 2.1540 2.1540 2.1800 2.1800 5.0870 5.0870 6.3043 6.3043 6.4053 6.4053 9.1718 9.1718 12.1441 12.1441 12.3212 12.3212 13.5373 13.5373 14.1290 14.1290 14.5672 14.5672 14.8463 14.8463 15.4026 15.4026 k = 0.4271 0.4271-0.0000 ( 3524 PWs) bands (ev): -30.7251 -30.7251 -11.7247 -11.7247 -10.3000 -10.3000 -10.2843 -10.2843 -0.2064 -0.2064 -0.1959 -0.1959 -0.1614 -0.1614 -0.1501 -0.1501 -0.1177 -0.1177 -0.1086 -0.1086 1.8425 1.8425 1.8739 1.8739 1.9285 1.9285 1.9607 1.9607 1.9869 1.9869 2.0346 2.0346 2.0729 2.0729 2.1540 2.1540 2.1821 2.1821 5.0108 5.0108 6.3210 6.3210 6.4445 6.4445 9.2572 9.2572 12.1157 12.1157 12.3379 12.3379 13.4486 13.4486 14.1376 14.1376 14.5333 14.5333 14.8706 14.8706 15.4158 15.4158 k = 0.4167 0.4167-0.0000 ( 3514 PWs) bands (ev): -30.7251 -30.7251 -11.7245 -11.7245 -10.2997 -10.2997 -10.2842 -10.2842 -0.2063 -0.2063 -0.1955 -0.1955 -0.1637 -0.1637 -0.1507 -0.1507 -0.1174 -0.1174 -0.1088 -0.1088 1.8379 1.8379 1.8748 1.8748 1.9231 1.9231 1.9560 1.9560 1.9891 1.9891 2.0403 2.0403 2.0794 2.0794 2.1546 2.1546 2.1849 2.1849 4.9291 4.9291 6.3399 6.3399 6.4871 6.4871 9.3523 9.3523 12.0832 12.0832 12.3580 12.3580 13.3479 13.3479 14.1581 14.1581 14.5022 14.5022 14.8968 14.8968 15.4218 15.4218 k = 0.4062 0.4062-0.0000 ( 3514 PWs) bands (ev): -30.7251 -30.7251 -11.7243 -11.7243 -10.2993 -10.2993 -10.2840 -10.2840 -0.2064 -0.2064 -0.1951 -0.1951 -0.1661 -0.1661 -0.1513 -0.1513 -0.1175 -0.1175 -0.1088 -0.1088 1.8334 1.8334 1.8756 1.8756 1.9179 1.9179 1.9512 1.9512 1.9909 1.9909 2.0455 2.0455 2.0861 2.0861 2.1559 2.1559 2.1883 2.1883 4.8432 4.8432 6.3611 6.3611 6.5328 6.5328 9.4558 9.4558 12.0473 12.0473 12.3812 12.3812 13.2397 13.2397 14.1884 14.1884 14.4737 14.4737 14.9236 14.9236 15.4220 15.4220 k = 0.3958 0.3958-0.0000 ( 3520 PWs) bands (ev): -30.7251 -30.7251 -11.7241 -11.7241 -10.2990 -10.2990 -10.2839 -10.2839 -0.2066 -0.2066 -0.1947 -0.1947 -0.1687 -0.1687 -0.1520 -0.1520 -0.1181 -0.1181 -0.1087 -0.1087 1.8290 1.8290 1.8763 1.8763 1.9129 1.9129 1.9465 1.9465 1.9920 1.9920 2.0500 2.0500 2.0927 2.0927 2.1581 2.1581 2.1924 2.1924 4.7540 4.7540 6.3847 6.3847 6.5813 6.5813 9.5668 9.5668 12.0086 12.0086 12.4068 12.4068 13.1278 13.1278 14.2261 14.2261 14.4482 14.4482 14.9499 14.9499 15.4177 15.4177 k = 0.3854 0.3854-0.0000 ( 3520 PWs) bands (ev): -30.7251 -30.7251 -11.7239 -11.7239 -10.2985 -10.2985 -10.2837 -10.2837 -0.2070 -0.2070 -0.1943 -0.1943 -0.1713 -0.1713 -0.1526 -0.1526 -0.1190 -0.1190 -0.1084 -0.1084 1.8249 1.8249 1.8768 1.8768 1.9083 1.9083 1.9419 1.9419 1.9924 1.9924 2.0535 2.0535 2.0993 2.0993 2.1615 2.1615 2.1972 2.1972 4.6625 4.6625 6.4107 6.4107 6.6325 6.6325 9.6843 9.6843 11.9677 11.9677 12.4341 12.4341 13.0155 13.0155 14.2678 14.2678 14.4272 14.4272 14.9744 14.9744 15.4100 15.4100 k = 0.3750 0.3750-0.0000 ( 3524 PWs) bands (ev): -30.7252 -30.7252 -11.7237 -11.7237 -10.2981 -10.2981 -10.2834 -10.2834 -0.2075 -0.2075 -0.1941 -0.1941 -0.1739 -0.1739 -0.1533 -0.1533 -0.1201 -0.1201 -0.1082 -0.1082 1.8210 1.8210 1.8768 1.8768 1.9039 1.9039 1.9377 1.9377 1.9922 1.9922 2.0560 2.0560 2.1058 2.1058 2.1661 2.1661 2.2028 2.2028 4.5695 4.5695 6.4393 6.4393 6.6864 6.6864 9.8073 9.8073 11.9250 11.9250 12.4614 12.4614 12.9062 12.9062 14.3058 14.3058 14.4174 14.4174 14.9961 14.9961 15.3996 15.3996 k = 0.3646 0.3646-0.0000 ( 3526 PWs) bands (ev): -30.7252 -30.7252 -11.7234 -11.7234 -10.2976 -10.2976 -10.2832 -10.2832 -0.2081 -0.2081 -0.1940 -0.1940 -0.1766 -0.1766 -0.1539 -0.1539 -0.1215 -0.1215 -0.1082 -0.1082 1.8175 1.8175 1.8763 1.8763 1.8999 1.8999 1.9340 1.9340 1.9912 1.9912 2.0575 2.0575 2.1122 2.1122 2.1719 2.1719 2.2091 2.2091 4.4754 4.4754 6.4705 6.4705 6.7428 6.7428 9.9350 9.9350 11.8810 11.8810 12.4846 12.4846 12.8052 12.8052 14.3221 14.3221 14.4354 14.4354 15.0143 15.0143 15.3872 15.3872 k = 0.3542 0.3542-0.0000 ( 3528 PWs) bands (ev): -30.7252 -30.7252 -11.7232 -11.7232 -10.2970 -10.2970 -10.2830 -10.2830 -0.2088 -0.2088 -0.1941 -0.1941 -0.1793 -0.1793 -0.1545 -0.1545 -0.1231 -0.1231 -0.1083 -0.1083 1.8143 1.8143 1.8750 1.8750 1.8962 1.8962 1.9309 1.9309 1.9896 1.9896 2.0580 2.0580 2.1187 2.1187 2.1787 2.1787 2.2161 2.2161 4.3810 4.3810 6.5043 6.5043 6.8018 6.8018 10.0665 10.0665 11.8359 11.8359 12.4917 12.4917 12.7256 12.7256 14.3140 14.3140 14.4822 14.4822 15.0286 15.0286 15.3733 15.3733 k = 0.3438 0.3437-0.0000 ( 3522 PWs) bands (ev): -30.7253 -30.7253 -11.7229 -11.7229 -10.2965 -10.2965 -10.2827 -10.2827 -0.2097 -0.2097 -0.1944 -0.1944 -0.1820 -0.1820 -0.1550 -0.1550 -0.1248 -0.1248 -0.1086 -0.1086 1.8115 1.8115 1.8728 1.8728 1.8928 1.8928 1.9287 1.9287 1.9875 1.9875 2.0577 2.0577 2.1252 2.1252 2.1865 2.1865 2.2238 2.2238 4.2867 4.2867 6.5408 6.5408 6.8632 6.8632 10.2010 10.2010 11.7900 11.7900 12.4596 12.4596 12.6913 12.6913 14.2964 14.2964 14.5407 14.5407 15.0395 15.0395 15.3584 15.3584 k = 0.3333 0.3333-0.0000 ( 3516 PWs) bands (ev): -30.7253 -30.7253 -11.7225 -11.7225 -10.2958 -10.2958 -10.2824 -10.2824 -0.2106 -0.2106 -0.1951 -0.1951 -0.1848 -0.1848 -0.1555 -0.1555 -0.1267 -0.1267 -0.1091 -0.1091 1.8089 1.8089 1.8699 1.8699 1.8895 1.8895 1.9273 1.9273 1.9850 1.9850 2.0567 2.0567 2.1317 2.1317 2.1951 2.1951 2.2320 2.2320 4.1928 4.1928 6.5800 6.5800 6.9271 6.9271 10.3378 10.3378 11.7435 11.7435 12.3885 12.3885 12.7029 12.7029 14.2755 14.2755 14.6010 14.6010 15.0489 15.0489 15.3435 15.3435 k = 0.3229 0.3229-0.0000 ( 3525 PWs) bands (ev): -30.7253 -30.7253 -11.7222 -11.7222 -10.2952 -10.2952 -10.2821 -10.2821 -0.2117 -0.2117 -0.1960 -0.1960 -0.1876 -0.1876 -0.1560 -0.1560 -0.1286 -0.1286 -0.1100 -0.1100 1.8065 1.8065 1.8663 1.8663 1.8860 1.8860 1.9268 1.9268 1.9822 1.9822 2.0551 2.0551 2.1383 2.1383 2.2042 2.2042 2.2407 2.2407 4.0998 4.0998 6.6219 6.6219 6.9933 6.9933 10.4760 10.4760 11.6966 11.6966 12.3029 12.3029 12.7365 12.7365 14.2526 14.2526 14.6559 14.6559 15.0609 15.0609 15.3297 15.3297 k = 0.3125 0.3125-0.0000 ( 3529 PWs) bands (ev): -30.7254 -30.7254 -11.7218 -11.7218 -10.2945 -10.2945 -10.2818 -10.2818 -0.2128 -0.2128 -0.1972 -0.1972 -0.1903 -0.1903 -0.1565 -0.1565 -0.1307 -0.1307 -0.1111 -0.1111 1.8043 1.8043 1.8621 1.8621 1.8825 1.8825 1.9271 1.9271 1.9793 1.9793 2.0531 2.0531 2.1449 2.1449 2.2139 2.2139 2.2499 2.2499 4.0080 4.0080 6.6667 6.6667 7.0617 7.0617 10.6145 10.6145 11.6496 11.6496 12.2160 12.2160 12.7798 12.7798 14.2273 14.2273 14.6972 14.6972 15.0811 15.0811 15.3193 15.3193 k = 0.3021 0.3021-0.0000 ( 3527 PWs) bands (ev): -30.7254 -30.7254 -11.7215 -11.7215 -10.2937 -10.2937 -10.2814 -10.2814 -0.2141 -0.2141 -0.1987 -0.1987 -0.1931 -0.1931 -0.1569 -0.1569 -0.1328 -0.1328 -0.1125 -0.1125 1.8022 1.8022 1.8576 1.8576 1.8788 1.8788 1.9280 1.9280 1.9764 1.9764 2.0508 2.0508 2.1516 2.1516 2.2239 2.2239 2.2594 2.2594 3.9176 3.9176 6.7142 6.7142 7.1323 7.1323 10.7521 10.7521 11.6026 11.6026 12.1331 12.1331 12.8284 12.8284 14.1986 14.1986 14.7179 14.7179 15.1128 15.1128 15.3170 15.3170 k = 0.2917 0.2917-0.0000 ( 3535 PWs) bands (ev): -30.7254 -30.7254 -11.7211 -11.7211 -10.2930 -10.2930 -10.2811 -10.2811 -0.2155 -0.2155 -0.2004 -0.2004 -0.1960 -0.1960 -0.1574 -0.1574 -0.1350 -0.1350 -0.1141 -0.1141 1.8001 1.8001 1.8528 1.8528 1.8750 1.8750 1.9294 1.9294 1.9737 1.9737 2.0483 2.0483 2.1582 2.1582 2.2342 2.2342 2.2691 2.2691 3.8290 3.8290 6.7646 6.7646 7.2047 7.2047 10.8869 10.8869 11.5563 11.5563 12.0571 12.0571 12.8807 12.8807 14.1648 14.1648 14.7173 14.7173 15.1479 15.1479 15.3334 15.3334 k = 0.2812 0.2812-0.0000 ( 3537 PWs) bands (ev): -30.7255 -30.7255 -11.7207 -11.7207 -10.2922 -10.2922 -10.2807 -10.2807 -0.2170 -0.2170 -0.2023 -0.2023 -0.1988 -0.1988 -0.1580 -0.1580 -0.1373 -0.1373 -0.1161 -0.1161 1.7980 1.7980 1.8476 1.8476 1.8713 1.8713 1.9311 1.9311 1.9713 1.9713 2.0456 2.0456 2.1649 2.1649 2.2448 2.2448 2.2791 2.2791 3.7423 3.7423 6.8179 6.8179 7.2789 7.2789 11.0153 11.0153 11.5115 11.5115 11.9912 11.9912 12.9357 12.9357 14.1240 14.1240 14.7012 14.7012 15.1689 15.1689 15.3827 15.3827 k = 0.2708 0.2708-0.0000 ( 3537 PWs) bands (ev): -30.7255 -30.7255 -11.7203 -11.7203 -10.2913 -10.2913 -10.2803 -10.2803 -0.2186 -0.2186 -0.2044 -0.2044 -0.2017 -0.2017 -0.1586 -0.1586 -0.1397 -0.1397 -0.1183 -0.1183 1.7958 1.7958 1.8422 1.8422 1.8676 1.8676 1.9330 1.9330 1.9694 1.9694 2.0429 2.0429 2.1716 2.1716 2.2555 2.2555 2.2892 2.2892 3.6577 3.6577 6.8741 6.8741 7.3546 7.3546 11.1308 11.1308 11.4710 11.4710 11.9397 11.9397 12.9927 12.9927 14.0740 14.0740 14.6776 14.6776 15.1718 15.1718 15.4631 15.4631 k = 0.2604 0.2604-0.0000 ( 3537 PWs) bands (ev): -30.7256 -30.7256 -11.7198 -11.7198 -10.2905 -10.2905 -10.2799 -10.2799 -0.2202 -0.2202 -0.2067 -0.2067 -0.2045 -0.2045 -0.1594 -0.1594 -0.1421 -0.1421 -0.1207 -0.1207 1.7934 1.7934 1.8365 1.8365 1.8640 1.8640 1.9351 1.9351 1.9681 1.9681 2.0402 2.0402 2.1781 2.1781 2.2664 2.2664 2.2994 2.2994 3.5755 3.5755 6.9332 6.9332 7.4317 7.4317 11.2189 11.2189 11.4422 11.4422 11.9098 11.9098 13.0509 13.0509 14.0130 14.0130 14.6530 14.6530 15.1646 15.1646 15.5597 15.5597 k = 0.2500 0.2500-0.0000 ( 3553 PWs) bands (ev): -30.7256 -30.7256 -11.7194 -11.7194 -10.2896 -10.2896 -10.2796 -10.2796 -0.2221 -0.2221 -0.2092 -0.2092 -0.2073 -0.2073 -0.1603 -0.1603 -0.1446 -0.1446 -0.1234 -0.1234 1.7907 1.7907 1.8306 1.8306 1.8606 1.8606 1.9373 1.9373 1.9673 1.9673 2.0375 2.0375 2.1847 2.1847 2.2774 2.2774 2.3095 2.3095 3.4957 3.4957 6.9952 6.9952 7.5097 7.5097 11.2559 11.2559 11.4375 11.4375 11.9126 11.9126 13.1095 13.1095 13.9408 13.9408 14.6318 14.6318 15.1529 15.1529 15.6278 15.6278 k = 0.2396 0.2396-0.0000 ( 3541 PWs) bands (ev): -30.7256 -30.7256 -11.7189 -11.7189 -10.2886 -10.2886 -10.2791 -10.2791 -0.2239 -0.2239 -0.2119 -0.2119 -0.2100 -0.2100 -0.1612 -0.1612 -0.1471 -0.1471 -0.1263 -0.1263 1.7878 1.7878 1.8245 1.8245 1.8574 1.8574 1.9395 1.9395 1.9672 1.9672 2.0348 2.0348 2.1911 2.1911 2.2885 2.2885 2.3197 2.3197 3.4185 3.4185 7.0601 7.0601 7.5885 7.5885 11.2427 11.2427 11.4466 11.4466 11.9576 11.9576 13.1666 13.1666 13.8589 13.8589 14.6168 14.6168 15.1391 15.1391 15.5929 15.5929 k = 0.2292 0.2292-0.0000 ( 3541 PWs) bands (ev): -30.7257 -30.7257 -11.7185 -11.7185 -10.2877 -10.2877 -10.2787 -10.2787 -0.2259 -0.2259 -0.2148 -0.2148 -0.2126 -0.2126 -0.1623 -0.1623 -0.1497 -0.1497 -0.1293 -0.1293 1.7846 1.7846 1.8183 1.8183 1.8544 1.8544 1.9418 1.9418 1.9676 1.9676 2.0322 2.0322 2.1974 2.1974 2.2995 2.2995 2.3297 2.3297 3.3441 3.3441 7.1278 7.1278 7.6677 7.6677 11.2079 11.2079 11.4440 11.4440 12.0412 12.0412 13.2188 13.2188 13.7724 13.7724 14.6086 14.6086 15.1242 15.1242 15.5341 15.5341 k = 0.2188 0.2187-0.0000 ( 3541 PWs) bands (ev): -30.7257 -30.7257 -11.7180 -11.7180 -10.2868 -10.2868 -10.2783 -10.2783 -0.2279 -0.2279 -0.2178 -0.2178 -0.2151 -0.2151 -0.1635 -0.1635 -0.1524 -0.1524 -0.1325 -0.1325 1.7811 1.7811 1.8118 1.8118 1.8516 1.8516 1.9442 1.9442 1.9685 1.9685 2.0296 2.0296 2.2036 2.2036 2.3106 2.3106 2.3396 2.3396 3.2725 3.2725 7.1985 7.1985 7.7470 7.7470 11.1668 11.1668 11.4276 11.4276 12.1498 12.1498 13.2580 13.2580 13.6913 13.6913 14.6074 14.6074 15.1088 15.1088 15.4715 15.4715 k = 0.2083 0.2083-0.0000 ( 3553 PWs) bands (ev): -30.7258 -30.7258 -11.7175 -11.7175 -10.2858 -10.2858 -10.2779 -10.2779 -0.2299 -0.2299 -0.2209 -0.2209 -0.2176 -0.2176 -0.1649 -0.1649 -0.1551 -0.1551 -0.1358 -0.1358 1.7774 1.7774 1.8053 1.8053 1.8490 1.8490 1.9467 1.9467 1.9698 1.9698 2.0271 2.0271 2.2097 2.2097 2.3216 2.3216 2.3494 2.3494 3.2039 3.2039 7.2719 7.2719 7.8259 7.8259 11.1245 11.1245 11.4036 11.4036 12.2708 12.2708 13.2675 13.2675 13.6355 13.6355 14.6124 14.6124 15.0931 15.0931 15.4082 15.4082 k = 0.1979 0.1979-0.0000 ( 3549 PWs) bands (ev): -30.7258 -30.7258 -11.7170 -11.7170 -10.2848 -10.2848 -10.2775 -10.2775 -0.2321 -0.2321 -0.2241 -0.2241 -0.2201 -0.2201 -0.1663 -0.1663 -0.1578 -0.1578 -0.1391 -0.1391 1.7735 1.7735 1.7988 1.7988 1.8466 1.8466 1.9494 1.9494 1.9715 1.9715 2.0247 2.0247 2.2156 2.2156 2.3326 2.3326 2.3589 2.3589 3.1384 3.1384 7.3481 7.3481 7.9041 7.9041 11.0833 11.0833 11.3764 11.3764 12.3948 12.3948 13.2304 13.2304 13.6264 13.6264 14.6230 14.6230 15.0775 15.0775 15.3454 15.3454 k = 0.1875 0.1875-0.0000 ( 3549 PWs) bands (ev): -30.7259 -30.7259 -11.7166 -11.7166 -10.2839 -10.2839 -10.2771 -10.2771 -0.2342 -0.2342 -0.2272 -0.2272 -0.2227 -0.2227 -0.1678 -0.1678 -0.1605 -0.1605 -0.1425 -0.1425 1.7694 1.7694 1.7922 1.7922 1.8444 1.8444 1.9521 1.9521 1.9733 1.9733 2.0223 2.0223 2.2213 2.2213 2.3434 2.3434 2.3682 2.3682 3.0760 3.0760 7.4269 7.4269 7.9812 7.9812 11.0441 11.0441 11.3484 11.3484 12.5115 12.5115 13.1605 13.1605 13.6587 13.6587 14.6386 14.6386 15.0620 15.0620 15.2839 15.2839 k = 0.1771 0.1771-0.0000 ( 3551 PWs) bands (ev): -30.7259 -30.7259 -11.7161 -11.7161 -10.2829 -10.2829 -10.2767 -10.2767 -0.2363 -0.2363 -0.2303 -0.2303 -0.2253 -0.2253 -0.1694 -0.1694 -0.1631 -0.1631 -0.1458 -0.1458 1.7652 1.7652 1.7857 1.7857 1.8424 1.8424 1.9550 1.9550 1.9753 1.9753 2.0200 2.0200 2.2268 2.2268 2.3540 2.3540 2.3772 2.3772 3.0168 3.0168 7.5082 7.5082 8.0566 8.0566 11.0079 11.0079 11.3210 11.3210 12.6007 12.6007 13.0966 13.0966 13.7130 13.7130 14.6585 14.6585 15.0467 15.0467 15.2242 15.2242 k = 0.1667 0.1667-0.0000 ( 3551 PWs) bands (ev): -30.7259 -30.7259 -11.7156 -11.7156 -10.2819 -10.2819 -10.2763 -10.2763 -0.2384 -0.2384 -0.2333 -0.2333 -0.2279 -0.2279 -0.1710 -0.1710 -0.1658 -0.1658 -0.1491 -0.1491 1.7611 1.7611 1.7792 1.7792 1.8405 1.8405 1.9580 1.9580 1.9773 1.9773 2.0178 2.0178 2.2321 2.2321 2.3645 2.3645 2.3859 2.3859 2.9610 2.9610 7.5919 7.5919 8.1300 8.1300 10.9748 10.9748 11.2945 11.2945 12.6237 12.6237 13.0890 13.0890 13.7778 13.7778 14.6822 14.6822 15.0319 15.0319 15.1669 15.1669 k = 0.1562 0.1562-0.0000 ( 3549 PWs) bands (ev): -30.7260 -30.7260 -11.7152 -11.7152 -10.2810 -10.2810 -10.2760 -10.2760 -0.2405 -0.2405 -0.2363 -0.2363 -0.2306 -0.2306 -0.1726 -0.1726 -0.1683 -0.1683 -0.1523 -0.1523 1.7569 1.7569 1.7730 1.7730 1.8387 1.8387 1.9609 1.9609 1.9794 1.9794 2.0156 2.0156 2.2371 2.2371 2.3746 2.3746 2.3943 2.3943 2.9085 2.9085 7.6778 7.6778 8.2008 8.2008 10.9454 10.9454 11.2692 11.2692 12.5649 12.5649 13.1587 13.1587 13.8480 13.8480 14.7090 14.7090 15.0176 15.0176 15.1124 15.1124 k = 0.1458 0.1458-0.0000 ( 3539 PWs) bands (ev): -30.7260 -30.7260 -11.7147 -11.7147 -10.2801 -10.2801 -10.2756 -10.2756 -0.2425 -0.2425 -0.2392 -0.2392 -0.2333 -0.2333 -0.1743 -0.1743 -0.1708 -0.1708 -0.1554 -0.1554 1.7528 1.7528 1.7669 1.7669 1.8370 1.8370 1.9639 1.9639 1.9814 1.9814 2.0135 2.0135 2.2419 2.2419 2.3845 2.3845 2.4023 2.4023 2.8594 2.8594 7.7656 7.7656 8.2687 8.2687 10.9196 10.9196 11.2451 11.2451 12.4599 12.4599 13.2732 13.2732 13.9212 13.9212 14.7384 14.7384 15.0041 15.0041 15.0612 15.0612 k = 0.1354 0.1354-0.0000 ( 3547 PWs) bands (ev): -30.7260 -30.7260 -11.7143 -11.7143 -10.2792 -10.2792 -10.2753 -10.2753 -0.2445 -0.2445 -0.2420 -0.2420 -0.2360 -0.2360 -0.1759 -0.1759 -0.1732 -0.1732 -0.1584 -0.1584 1.7489 1.7489 1.7610 1.7610 1.8355 1.8355 1.9668 1.9668 1.9834 1.9834 2.0115 2.0115 2.2464 2.2464 2.3939 2.3939 2.4098 2.4098 2.8137 2.8137 7.8549 7.8549 8.3332 8.3332 10.8976 10.8976 11.2221 11.2221 12.3369 12.3369 13.4060 13.4060 13.9959 13.9959 14.7691 14.7691 14.9916 14.9916 15.0142 15.0142 k = 0.1250 0.1250-0.0000 ( 3547 PWs) bands (ev): -30.7261 -30.7261 -11.7139 -11.7139 -10.2784 -10.2784 -10.2749 -10.2749 -0.2464 -0.2464 -0.2446 -0.2446 -0.2387 -0.2387 -0.1775 -0.1775 -0.1755 -0.1755 -0.1612 -0.1612 1.7451 1.7451 1.7555 1.7555 1.8340 1.8340 1.9696 1.9696 1.9854 1.9854 2.0096 2.0096 2.2507 2.2507 2.4030 2.4030 2.4170 2.4170 2.7715 2.7715 7.9455 7.9455 8.3938 8.3938 10.8791 10.8791 11.1997 11.1997 12.2081 12.2081 13.5465 13.5465 14.0713 14.0713 14.7992 14.7992 14.9718 14.9718 14.9817 14.9817 k = 0.1146 0.1146-0.0000 ( 3547 PWs) bands (ev): -30.7261 -30.7261 -11.7135 -11.7135 -10.2776 -10.2776 -10.2746 -10.2746 -0.2483 -0.2483 -0.2471 -0.2471 -0.2414 -0.2414 -0.1791 -0.1791 -0.1776 -0.1776 -0.1638 -0.1638 1.7414 1.7414 1.7502 1.7502 1.8326 1.8326 1.9723 1.9723 1.9872 1.9872 2.0077 2.0077 2.2546 2.2546 2.4115 2.4115 2.4236 2.4236 2.7328 2.7328 8.0367 8.0367 8.4503 8.4503 10.8641 10.8641 11.1774 11.1774 12.0793 12.0793 13.6902 13.6902 14.1465 14.1465 14.8232 14.8232 14.9404 14.9404 14.9736 14.9736 k = 0.1042 0.1042-0.0000 ( 3543 PWs) bands (ev): -30.7261 -30.7261 -11.7132 -11.7132 -10.2768 -10.2768 -10.2743 -10.2743 -0.2501 -0.2501 -0.2493 -0.2493 -0.2440 -0.2440 -0.1806 -0.1806 -0.1795 -0.1795 -0.1662 -0.1662 1.7381 1.7381 1.7454 1.7454 1.8313 1.8313 1.9748 1.9748 1.9889 1.9889 2.0059 2.0059 2.2582 2.2582 2.4195 2.4195 2.4298 2.4298 2.6976 2.6976 8.1280 8.1280 8.5023 8.5023 10.8522 10.8522 11.1544 11.1544 11.9543 11.9543 13.8344 13.8344 14.2209 14.2209 14.8291 14.8291 14.9271 14.9271 14.9723 14.9723 k = 0.0938 0.0937-0.0000 ( 3543 PWs) bands (ev): -30.7262 -30.7262 -11.7128 -11.7128 -10.2761 -10.2761 -10.2741 -10.2741 -0.2521 -0.2521 -0.2511 -0.2511 -0.2465 -0.2465 -0.1821 -0.1821 -0.1813 -0.1813 -0.1685 -0.1685 1.7349 1.7349 1.7408 1.7408 1.8301 1.8301 1.9770 1.9770 1.9905 1.9905 2.0042 2.0042 2.2616 2.2616 2.4269 2.4269 2.4355 2.4355 2.6659 2.6659 8.2186 8.2186 8.5496 8.5496 10.8431 10.8431 11.1295 11.1295 11.8365 11.8365 13.9771 13.9771 14.2936 14.2936 14.8130 14.8130 14.9295 14.9295 14.9846 14.9846 k = 0.0833 0.0833-0.0000 ( 3539 PWs) bands (ev): -30.7262 -30.7262 -11.7125 -11.7125 -10.2754 -10.2754 -10.2738 -10.2738 -0.2540 -0.2540 -0.2526 -0.2526 -0.2488 -0.2488 -0.1834 -0.1834 -0.1829 -0.1829 -0.1705 -0.1705 1.7320 1.7320 1.7367 1.7367 1.8290 1.8290 1.9790 1.9790 1.9919 1.9919 2.0026 2.0026 2.2646 2.2646 2.4337 2.4337 2.4406 2.4406 2.6376 2.6376 8.3075 8.3075 8.5920 8.5920 10.8364 10.8364 11.1011 11.1011 11.7290 11.7290 14.1160 14.1160 14.3640 14.3640 14.7882 14.7882 14.9336 14.9336 15.0119 15.0119 k = 0.0729 0.0729-0.0000 ( 3535 PWs) bands (ev): -30.7262 -30.7262 -11.7123 -11.7123 -10.2749 -10.2749 -10.2736 -10.2736 -0.2559 -0.2559 -0.2540 -0.2540 -0.2509 -0.2509 -0.1846 -0.1846 -0.1842 -0.1842 -0.1723 -0.1723 1.7295 1.7295 1.7331 1.7331 1.8280 1.8280 1.9808 1.9808 1.9932 1.9932 2.0013 2.0013 2.2672 2.2672 2.4398 2.4398 2.4452 2.4452 2.6128 2.6128 8.3935 8.3935 8.6294 8.6294 10.8317 10.8317 11.0678 11.0678 11.6351 11.6351 14.2477 14.2477 14.4310 14.4310 14.7629 14.7629 14.9403 14.9403 15.0467 15.0467 k = 0.0625 0.0625-0.0000 ( 3537 PWs) bands (ev): -30.7262 -30.7262 -11.7120 -11.7120 -10.2743 -10.2743 -10.2734 -10.2734 -0.2575 -0.2575 -0.2551 -0.2551 -0.2528 -0.2528 -0.1857 -0.1857 -0.1855 -0.1855 -0.1738 -0.1738 1.7272 1.7272 1.7299 1.7299 1.8272 1.8272 1.9821 1.9821 1.9943 1.9943 2.0001 2.0001 2.2696 2.2696 2.4452 2.4452 2.4492 2.4492 2.5915 2.5915 8.4749 8.4749 8.6616 8.6616 10.8285 10.8285 11.0284 11.0284 11.5576 11.5576 14.3675 14.3675 14.4936 14.4936 14.7397 14.7397 14.9551 14.9551 15.0836 15.0836 k = 0.0521 0.0521-0.0000 ( 3537 PWs) bands (ev): -30.7262 -30.7262 -11.7118 -11.7118 -10.2739 -10.2739 -10.2732 -10.2732 -0.2590 -0.2590 -0.2561 -0.2561 -0.2545 -0.2545 -0.1866 -0.1866 -0.1865 -0.1865 -0.1752 -0.1752 1.7253 1.7253 1.7271 1.7271 1.8264 1.8264 1.9832 1.9832 1.9953 1.9953 1.9991 1.9991 2.2716 2.2716 2.4498 2.4498 2.4527 2.4527 2.5735 2.5735 8.5501 8.5501 8.6888 8.6888 10.8265 10.8265 10.9837 10.9837 11.4976 11.4976 14.4692 14.4692 14.5503 14.5503 14.7194 14.7194 14.9835 14.9835 15.1195 15.1195 k = 0.0417 0.0417-0.0000 ( 3527 PWs) bands (ev): -30.7262 -30.7262 -11.7116 -11.7116 -10.2735 -10.2735 -10.2731 -10.2731 -0.2602 -0.2602 -0.2569 -0.2569 -0.2559 -0.2559 -0.1874 -0.1874 -0.1873 -0.1873 -0.1762 -0.1762 1.7237 1.7237 1.7249 1.7249 1.8257 1.8257 1.9840 1.9840 1.9961 1.9961 1.9984 1.9984 2.2732 2.2732 2.4537 2.4537 2.4555 2.4555 2.5589 2.5589 8.6167 8.6167 8.7110 8.7110 10.8253 10.8253 10.9368 10.9368 11.4540 11.4540 14.5477 14.5477 14.5985 14.5985 14.7027 14.7027 15.0294 15.0294 15.1526 15.1526 k = 0.0312 0.0312-0.0000 ( 3513 PWs) bands (ev): -30.7262 -30.7262 -11.7115 -11.7115 -10.2732 -10.2732 -10.2730 -10.2730 -0.2612 -0.2612 -0.2575 -0.2575 -0.2570 -0.2570 -0.1880 -0.1880 -0.1880 -0.1880 -0.1771 -0.1771 1.7225 1.7225 1.7231 1.7231 1.8252 1.8252 1.9845 1.9845 1.9967 1.9967 1.9980 1.9980 2.2745 2.2745 2.4567 2.4567 2.4577 2.4577 2.5475 2.5475 8.6724 8.6724 8.7281 8.7281 10.8247 10.8247 10.8925 10.8925 11.4244 11.4244 14.6032 14.6032 14.6344 14.6344 14.6896 14.6896 15.0901 15.0901 15.1810 15.1810 k = 0.0208 0.0208-0.0000 ( 3515 PWs) bands (ev): -30.7262 -30.7262 -11.7114 -11.7114 -10.2730 -10.2730 -10.2729 -10.2729 -0.2619 -0.2619 -0.2580 -0.2580 -0.2577 -0.2577 -0.1884 -0.1884 -0.1884 -0.1884 -0.1777 -0.1777 1.7215 1.7215 1.7218 1.7218 1.8249 1.8249 1.9848 1.9848 1.9971 1.9971 1.9977 1.9977 2.2754 2.2754 2.4588 2.4588 2.4593 2.4593 2.5395 2.5395 8.7146 8.7146 8.7403 8.7403 10.8244 10.8244 10.8562 10.8562 11.4057 11.4057 14.6401 14.6401 14.6568 14.6568 14.6806 14.6806 15.1537 15.1537 15.2030 15.2030 k = 0.0104 0.0104-0.0000 ( 3545 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2624 -0.2624 -0.2583 -0.2583 -0.2582 -0.2582 -0.1887 -0.1887 -0.1887 -0.1887 -0.1781 -0.1781 1.7210 1.7210 1.7210 1.7210 1.8246 1.8246 1.9849 1.9849 1.9974 1.9974 1.9975 1.9975 2.2759 2.2759 2.4601 2.4601 2.4602 2.4602 2.5347 2.5347 8.7410 8.7410 8.7475 8.7475 10.8242 10.8242 10.8325 10.8325 11.3954 11.3954 14.6613 14.6613 14.6668 14.6668 14.6769 14.6769 15.2029 15.2029 15.2168 15.2168 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2625 -0.2625 -0.2584 -0.2584 -0.2584 -0.2584 -0.1889 -0.1889 -0.1889 -0.1889 -0.1783 -0.1783 1.7208 1.7208 1.7208 1.7208 1.8245 1.8245 1.9849 1.9849 1.9975 1.9975 1.9975 1.9975 2.2760 2.2760 2.4605 2.4605 2.4605 2.4605 2.5331 2.5331 8.7500 8.7500 8.7500 8.7500 10.8242 10.8242 10.8242 10.8242 11.3922 11.3922 14.6681 14.6681 14.6681 14.6681 14.6775 14.6775 15.2216 15.2216 15.2216 15.2216 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2625 -0.2625 -0.2584 -0.2584 -0.2584 -0.2584 -0.1889 -0.1889 -0.1889 -0.1889 -0.1783 -0.1783 1.7208 1.7208 1.7208 1.7208 1.8245 1.8245 1.9849 1.9849 1.9975 1.9975 1.9975 1.9975 2.2760 2.2760 2.4605 2.4605 2.4605 2.4605 2.5331 2.5331 8.7500 8.7500 8.7500 8.7500 10.8242 10.8242 10.8242 10.8242 11.3922 11.3922 14.6681 14.6681 14.6681 14.6681 14.6775 14.6775 15.2216 15.2216 15.2216 15.2216 k = 0.0085 0.0085 0.0085 ( 3548 PWs) bands (ev): -30.7263 -30.7263 -11.7113 -11.7113 -10.2729 -10.2729 -10.2729 -10.2729 -0.2624 -0.2624 -0.2583 -0.2583 -0.2583 -0.2583 -0.1887 -0.1887 -0.1887 -0.1887 -0.1781 -0.1781 1.7210 1.7210 1.7210 1.7210 1.8246 1.8246 1.9849 1.9849 1.9974 1.9974 1.9975 1.9975 2.2759 2.2759 2.4602 2.4602 2.4602 2.4602 2.5346 2.5346 8.7440 8.7440 8.7446 8.7446 10.8240 10.8240 10.8326 10.8326 11.3954 11.3954 14.6612 14.6612 14.6666 14.6666 14.6772 14.6772 15.2069 15.2069 15.2130 15.2130 k = 0.0169 0.0169 0.0169 ( 3527 PWs) bands (ev): -30.7262 -30.7262 -11.7114 -11.7114 -10.2730 -10.2730 -10.2730 -10.2730 -0.2619 -0.2619 -0.2579 -0.2579 -0.2578 -0.2578 -0.1884 -0.1884 -0.1884 -0.1884 -0.1777 -0.1777 1.7216 1.7216 1.7217 1.7217 1.8248 1.8248 1.9848 1.9848 1.9971 1.9971 1.9977 1.9977 2.2754 2.2754 2.4590 2.4590 2.4591 2.4591 2.5394 2.5394 8.7266 8.7266 8.7285 8.7285 10.8229 10.8229 10.8574 10.8574 11.4057 11.4057 14.6396 14.6396 14.6547 14.6547 14.6828 14.6828 15.1685 15.1685 15.1892 15.1892 k = 0.0254 0.0254 0.0254 ( 3515 PWs) bands (ev): -30.7262 -30.7262 -11.7115 -11.7115 -10.2732 -10.2732 -10.2731 -10.2731 -0.2612 -0.2612 -0.2573 -0.2573 -0.2572 -0.2572 -0.1880 -0.1880 -0.1880 -0.1880 -0.1771 -0.1771 1.7227 1.7227 1.7229 1.7229 1.8252 1.8252 1.9846 1.9846 1.9967 1.9967 1.9980 1.9980 2.2745 2.2745 2.4571 2.4571 2.4574 2.4574 2.5474 2.5474 8.6984 8.6984 8.7025 8.7025 10.8190 10.8190 10.8979 10.8979 11.4245 11.4245 14.6005 14.6005 14.6306 14.6306 14.6943 14.6943 15.1195 15.1195 15.1552 15.1552 k = 0.0339 0.0339 0.0339 ( 3527 PWs) bands (ev): -30.7262 -30.7262 -11.7116 -11.7116 -10.2734 -10.2734 -10.2732 -10.2732 -0.2602 -0.2602 -0.2566 -0.2566 -0.2563 -0.2563 -0.1874 -0.1874 -0.1873 -0.1873 -0.1763 -0.1763 1.7241 1.7241 1.7244 1.7244 1.8257 1.8257 1.9841 1.9841 1.9961 1.9961 1.9983 1.9983 2.2732 2.2732 2.4544 2.4544 2.4549 2.4549 2.5587 2.5587 8.6607 8.6607 8.6675 8.6675 10.8099 10.8099 10.9525 10.9525 11.4536 11.4536 14.5413 14.5413 14.5935 14.5935 14.7100 14.7100 15.0722 15.0722 15.1175 15.1175 k = 0.0424 0.0424 0.0424 ( 3536 PWs) bands (ev): -30.7262 -30.7262 -11.7118 -11.7118 -10.2737 -10.2737 -10.2734 -10.2734 -0.2589 -0.2589 -0.2556 -0.2556 -0.2552 -0.2552 -0.1866 -0.1866 -0.1865 -0.1865 -0.1752 -0.1752 1.7259 1.7259 1.7265 1.7265 1.8263 1.8263 1.9834 1.9834 1.9955 1.9955 1.9988 1.9988 2.2716 2.2716 2.4509 2.4509 2.4517 2.4517 2.5732 2.5732 8.6151 8.6151 8.6245 8.6245 10.7935 10.7935 11.0200 11.0200 11.4946 11.4946 14.4619 14.4619 14.5420 14.5420 14.7290 14.7290 15.0343 15.0343 15.0820 15.0820 k = 0.0508 0.0508 0.0508 ( 3536 PWs) bands (ev): -30.7262 -30.7262 -11.7120 -11.7120 -10.2741 -10.2741 -10.2736 -10.2736 -0.2574 -0.2574 -0.2544 -0.2544 -0.2538 -0.2538 -0.1856 -0.1856 -0.1855 -0.1855 -0.1738 -0.1738 1.7281 1.7281 1.7289 1.7289 1.8271 1.8271 1.9824 1.9824 1.9948 1.9948 1.9994 1.9994 2.2696 2.2696 2.4468 2.4468 2.4479 2.4479 2.5910 2.5910 8.5630 8.5630 8.5750 8.5750 10.7687 10.7687 11.0985 11.0985 11.5479 11.5479 14.3655 14.3655 14.4761 14.4761 14.7503 14.7503 15.0073 15.0073 15.0524 15.0524 k = 0.0593 0.0593 0.0593 ( 3542 PWs) bands (ev): -30.7262 -30.7262 -11.7123 -11.7123 -10.2745 -10.2745 -10.2739 -10.2739 -0.2557 -0.2557 -0.2531 -0.2531 -0.2522 -0.2522 -0.1845 -0.1845 -0.1844 -0.1844 -0.1723 -0.1723 1.7306 1.7306 1.7318 1.7318 1.8279 1.8279 1.9810 1.9810 1.9942 1.9942 2.0002 2.0002 2.2673 2.2673 2.4419 2.4419 2.4435 2.4435 2.6122 2.6122 8.5058 8.5058 8.5199 8.5199 10.7355 10.7355 11.1866 11.1866 11.6130 11.6130 14.2566 14.2566 14.3972 14.3972 14.7730 14.7730 14.9897 14.9897 15.0302 15.0302 k = 0.0678 0.0678 0.0678 ( 3542 PWs) bands (ev): -30.7262 -30.7262 -11.7125 -11.7125 -10.2750 -10.2750 -10.2742 -10.2742 -0.2538 -0.2538 -0.2516 -0.2516 -0.2504 -0.2504 -0.1832 -0.1832 -0.1830 -0.1830 -0.1705 -0.1705 1.7335 1.7335 1.7351 1.7351 1.8289 1.8289 1.9791 1.9791 1.9936 1.9936 2.0010 2.0010 2.2646 2.2646 2.4363 2.4363 2.4385 2.4385 2.6368 2.6368 8.4447 8.4447 8.4606 8.4606 10.6946 10.6946 11.2827 11.2827 11.6886 11.6886 14.1397 14.1397 14.3079 14.3079 14.7964 14.7964 14.9792 14.9792 15.0149 15.0149 k = 0.0763 0.0763 0.0763 ( 3545 PWs) bands (ev): -30.7262 -30.7262 -11.7128 -11.7128 -10.2756 -10.2756 -10.2746 -10.2746 -0.2517 -0.2517 -0.2501 -0.2501 -0.2485 -0.2485 -0.1817 -0.1817 -0.1816 -0.1816 -0.1684 -0.1684 1.7368 1.7368 1.7388 1.7388 1.8299 1.8299 1.9769 1.9769 1.9930 1.9930 2.0020 2.0020 2.2616 2.2616 2.4300 2.4300 2.4329 2.4329 2.6648 2.6648 8.3810 8.3810 8.3981 8.3981 10.6470 10.6470 11.3855 11.3855 11.7733 11.7733 14.0184 14.0184 14.2113 14.2113 14.8199 14.8199 14.9738 14.9738 15.0055 15.0055 k = 0.0847 0.0847 0.0847 ( 3545 PWs) bands (ev): -30.7261 -30.7261 -11.7132 -11.7132 -10.2762 -10.2762 -10.2749 -10.2749 -0.2495 -0.2495 -0.2484 -0.2484 -0.2463 -0.2463 -0.1801 -0.1801 -0.1800 -0.1800 -0.1662 -0.1662 1.7403 1.7403 1.7428 1.7428 1.8310 1.8310 1.9742 1.9742 1.9925 1.9925 2.0032 2.0032 2.2582 2.2582 2.4231 2.4231 2.4268 2.4268 2.6963 2.6963 8.3155 8.3155 8.3331 8.3331 10.5941 10.5941 11.4937 11.4937 11.8651 11.8651 13.8952 13.8952 14.1099 14.1099 14.8429 14.8429 14.9722 14.9722 15.0007 15.0007 k = 0.0932 0.0932 0.0932 ( 3551 PWs) bands (ev): -30.7261 -30.7261 -11.7135 -11.7135 -10.2768 -10.2768 -10.2754 -10.2754 -0.2472 -0.2472 -0.2466 -0.2466 -0.2440 -0.2440 -0.1783 -0.1783 -0.1782 -0.1782 -0.1637 -0.1637 1.7441 1.7441 1.7472 1.7472 1.8321 1.8321 1.9711 1.9711 1.9919 1.9919 2.0045 2.0045 2.2545 2.2545 2.4156 2.4156 2.4203 2.4203 2.7313 2.7313 8.2490 8.2490 8.2666 8.2666 10.5369 10.5369 11.6059 11.6059 11.9625 11.9625 13.7720 13.7720 14.0061 14.0061 14.8651 14.8651 14.9733 14.9733 14.9996 14.9996 k = 0.1017 0.1017 0.1017 ( 3548 PWs) bands (ev): -30.7261 -30.7261 -11.7139 -11.7139 -10.2775 -10.2775 -10.2758 -10.2758 -0.2448 -0.2448 -0.2448 -0.2448 -0.2416 -0.2416 -0.1763 -0.1763 -0.1763 -0.1763 -0.1611 -0.1611 1.7482 1.7482 1.7520 1.7520 1.8333 1.8333 1.9678 1.9678 1.9913 1.9913 2.0060 2.0060 2.2505 2.2505 2.4075 2.4075 2.4134 2.4134 2.7697 2.7697 8.1821 8.1821 8.1992 8.1992 10.4766 10.4766 11.7208 11.7208 12.0636 12.0636 13.6507 13.6507 13.9018 13.9018 14.8861 14.8861 14.9767 14.9767 15.0013 15.0013 k = 0.1102 0.1102 0.1102 ( 3548 PWs) bands (ev): -30.7260 -30.7260 -11.7143 -11.7143 -10.2782 -10.2782 -10.2763 -10.2763 -0.2430 -0.2430 -0.2424 -0.2424 -0.2390 -0.2390 -0.1743 -0.1743 -0.1743 -0.1743 -0.1583 -0.1583 1.7525 1.7525 1.7571 1.7571 1.8345 1.8345 1.9641 1.9641 1.9906 1.9906 2.0077 2.0077 2.2461 2.2461 2.3989 2.3989 2.4061 2.4061 2.8116 2.8116 8.1154 8.1154 8.1315 8.1315 10.4142 10.4142 11.8368 11.8368 12.1665 12.1665 13.5329 13.5329 13.7991 13.7991 14.9059 14.9059 14.9819 14.9819 15.0055 15.0055 k = 0.1186 0.1186 0.1186 ( 3548 PWs) bands (ev): -30.7260 -30.7260 -11.7147 -11.7147 -10.2789 -10.2789 -10.2768 -10.2768 -0.2411 -0.2411 -0.2400 -0.2400 -0.2364 -0.2364 -0.1722 -0.1722 -0.1721 -0.1721 -0.1553 -0.1553 1.7570 1.7570 1.7624 1.7624 1.8358 1.8358 1.9603 1.9603 1.9898 1.9898 2.0096 2.0096 2.2413 2.2413 2.3898 2.3898 2.3986 2.3986 2.8570 2.8570 8.0493 8.0493 8.0639 8.0639 10.3504 10.3504 11.9517 11.9517 12.2689 12.2689 13.4208 13.4208 13.7000 13.7000 14.9241 14.9241 14.9886 14.9886 15.0117 15.0117 k = 0.1271 0.1271 0.1271 ( 3548 PWs) bands (ev): -30.7260 -30.7260 -11.7152 -11.7152 -10.2797 -10.2797 -10.2773 -10.2773 -0.2393 -0.2393 -0.2375 -0.2375 -0.2338 -0.2338 -0.1700 -0.1700 -0.1699 -0.1699 -0.1523 -0.1523 1.7615 1.7615 1.7680 1.7680 1.8370 1.8370 1.9562 1.9562 1.9890 1.9890 2.0118 2.0118 2.2361 2.2361 2.3802 2.3802 2.3910 2.3910 2.9059 2.9059 7.9842 7.9842 7.9968 7.9968 10.2861 10.2861 12.0623 12.0623 12.3678 12.3678 13.3173 13.3173 13.6075 13.6075 14.9406 14.9406 14.9966 14.9966 15.0196 15.0196 k = 0.1356 0.1356 0.1356 ( 3542 PWs) bands (ev): -30.7259 -30.7259 -11.7156 -11.7156 -10.2805 -10.2805 -10.2778 -10.2778 -0.2375 -0.2375 -0.2351 -0.2351 -0.2311 -0.2311 -0.1677 -0.1677 -0.1676 -0.1676 -0.1492 -0.1492 1.7662 1.7662 1.7738 1.7738 1.8383 1.8383 1.9519 1.9519 1.9882 1.9882 2.0141 2.0141 2.2305 2.2305 2.3703 2.3703 2.3832 2.3832 2.9581 2.9581 7.9202 7.9202 7.9306 7.9306 10.2217 10.2217 12.1638 12.1638 12.4587 12.4587 13.2272 13.2272 13.5255 13.5255 14.9552 14.9552 15.0059 15.0059 15.0291 15.0291 k = 0.1441 0.1441 0.1441 ( 3542 PWs) bands (ev): -30.7259 -30.7259 -11.7161 -11.7161 -10.2813 -10.2813 -10.2784 -10.2784 -0.2357 -0.2357 -0.2327 -0.2327 -0.2284 -0.2284 -0.1654 -0.1654 -0.1652 -0.1652 -0.1460 -0.1460 1.7709 1.7709 1.7798 1.7798 1.8396 1.8396 1.9475 1.9475 1.9874 1.9874 2.0167 2.0167 2.2245 2.2245 2.3600 2.3600 2.3754 2.3754 3.0137 3.0137 7.8577 7.8577 7.8655 7.8655 10.1580 10.1580 12.2481 12.2481 12.5353 12.5353 13.1582 13.1582 13.4601 13.4601 14.9673 14.9673 15.0163 15.0163 15.0401 15.0401 k = 0.1525 0.1525 0.1525 ( 3542 PWs) bands (ev): -30.7258 -30.7258 -11.7166 -11.7166 -10.2821 -10.2821 -10.2789 -10.2789 -0.2340 -0.2340 -0.2304 -0.2304 -0.2258 -0.2258 -0.1630 -0.1630 -0.1629 -0.1629 -0.1428 -0.1428 1.7756 1.7756 1.7860 1.7860 1.8408 1.8408 1.9431 1.9431 1.9867 1.9867 2.0195 2.0195 2.2181 2.2181 2.3494 2.3494 2.3677 2.3677 3.0727 3.0727 7.7968 7.7968 7.8018 7.8018 10.0954 10.0954 12.3040 12.3040 12.5888 12.5888 13.1214 13.1214 13.4196 13.4196 14.9764 14.9764 15.0277 15.0277 15.0524 15.0524 k = 0.1610 0.1610 0.1610 ( 3536 PWs) bands (ev): -30.7258 -30.7258 -11.7170 -11.7170 -10.2829 -10.2829 -10.2795 -10.2795 -0.2324 -0.2324 -0.2281 -0.2281 -0.2232 -0.2232 -0.1606 -0.1606 -0.1606 -0.1606 -0.1396 -0.1396 1.7802 1.7802 1.7923 1.7923 1.8420 1.8420 1.9386 1.9386 1.9860 1.9860 2.0226 2.0226 2.2113 2.2113 2.3386 2.3386 2.3602 2.3602 3.1349 3.1349 7.7378 7.7378 7.7397 7.7397 10.0343 10.0343 12.3209 12.3209 12.6106 12.6106 13.1270 13.1270 13.4119 13.4119 14.9811 14.9811 15.0402 15.0402 15.0660 15.0660 k = 0.1695 0.1695 0.1695 ( 3536 PWs) bands (ev): -30.7258 -30.7258 -11.7175 -11.7175 -10.2837 -10.2837 -10.2801 -10.2801 -0.2309 -0.2309 -0.2258 -0.2258 -0.2207 -0.2207 -0.1584 -0.1584 -0.1581 -0.1581 -0.1365 -0.1365 1.7847 1.7847 1.7986 1.7986 1.8430 1.8430 1.9341 1.9341 1.9855 1.9855 2.0259 2.0259 2.2040 2.2040 2.3276 2.3276 2.3529 2.3529 3.2004 3.2004 7.6794 7.6794 7.6806 7.6806 9.9751 9.9751 12.2976 12.2976 12.5977 12.5977 13.1758 13.1758 13.4394 13.4394 14.9796 14.9796 15.0535 15.0535 15.0806 15.0806 k = 0.1780 0.1780 0.1780 ( 3542 PWs) bands (ev): -30.7257 -30.7257 -11.7180 -11.7180 -10.2845 -10.2845 -10.2807 -10.2807 -0.2294 -0.2294 -0.2237 -0.2237 -0.2184 -0.2184 -0.1562 -0.1562 -0.1557 -0.1557 -0.1335 -0.1335 1.7889 1.7889 1.8051 1.8051 1.8440 1.8440 1.9298 1.9298 1.9851 1.9851 2.0294 2.0294 2.1962 2.1962 2.3166 2.3166 2.3459 2.3459 3.2690 3.2690 7.6209 7.6209 7.6254 7.6254 9.9182 9.9182 12.2434 12.2434 12.5554 12.5554 13.2582 13.2582 13.4957 13.4957 14.9681 14.9681 15.0678 15.0678 15.0964 15.0964 k = 0.1864 0.1864 0.1864 ( 3536 PWs) bands (ev): -30.7257 -30.7257 -11.7185 -11.7185 -10.2853 -10.2853 -10.2813 -10.2813 -0.2280 -0.2280 -0.2216 -0.2216 -0.2162 -0.2162 -0.1542 -0.1542 -0.1533 -0.1533 -0.1306 -0.1306 1.7928 1.7928 1.8115 1.8115 1.8448 1.8448 1.9257 1.9257 1.9851 1.9851 2.0331 2.0331 2.1880 2.1880 2.3056 2.3056 2.3393 2.3393 3.3408 3.3408 7.5643 7.5643 7.5724 7.5724 9.8638 9.8638 12.1699 12.1699 12.4928 12.4928 13.3621 13.3621 13.5707 13.5707 14.9406 14.9406 15.0829 15.0829 15.1130 15.1130 k = 0.1949 0.1949 0.1949 ( 3530 PWs) bands (ev): -30.7256 -30.7256 -11.7189 -11.7189 -10.2860 -10.2860 -10.2819 -10.2819 -0.2268 -0.2268 -0.2196 -0.2196 -0.2141 -0.2141 -0.1524 -0.1524 -0.1510 -0.1510 -0.1279 -0.1279 1.7964 1.7964 1.8179 1.8179 1.8453 1.8453 1.9218 1.9218 1.9853 1.9853 2.0370 2.0370 2.1794 2.1794 2.2947 2.2947 2.3332 2.3332 3.4156 3.4156 7.5099 7.5099 7.5214 7.5214 9.8122 9.8122 12.0857 12.0857 12.4176 12.4176 13.4787 13.4787 13.6547 13.6547 14.8889 14.8889 15.0989 15.0989 15.1305 15.1305 k = 0.2034 0.2034 0.2034 ( 3530 PWs) bands (ev): -30.7256 -30.7256 -11.7194 -11.7194 -10.2867 -10.2867 -10.2825 -10.2825 -0.2256 -0.2256 -0.2177 -0.2177 -0.2121 -0.2121 -0.1507 -0.1507 -0.1488 -0.1488 -0.1254 -0.1254 1.7995 1.7995 1.8243 1.8243 1.8455 1.8455 1.9182 1.9182 1.9858 1.9858 2.0410 2.0410 2.1704 2.1704 2.2840 2.2840 2.3276 2.3276 3.4934 3.4934 7.4576 7.4576 7.4726 7.4726 9.7637 9.7637 11.9957 11.9957 12.3352 12.3352 13.6022 13.6022 13.7392 13.7392 14.8080 14.8080 15.1157 15.1157 15.1488 15.1488 k = 0.2119 0.2119 0.2119 ( 3530 PWs) bands (ev): -30.7255 -30.7255 -11.7198 -11.7198 -10.2875 -10.2875 -10.2831 -10.2831 -0.2245 -0.2245 -0.2159 -0.2159 -0.2103 -0.2103 -0.1493 -0.1493 -0.1466 -0.1466 -0.1231 -0.1231 1.8022 1.8022 1.8306 1.8306 1.8453 1.8453 1.9149 1.9149 1.9867 1.9867 2.0450 2.0450 2.1611 2.1611 2.2738 2.2738 2.3225 2.3225 3.5741 3.5741 7.4074 7.4074 7.4260 7.4260 9.7184 9.7184 11.9030 11.9030 12.2488 12.2488 13.7292 13.7292 13.8154 13.8154 14.7041 14.7041 15.1333 15.1333 15.1679 15.1679 k = 0.2203 0.2203 0.2203 ( 3533 PWs) bands (ev): -30.7255 -30.7255 -11.7203 -11.7203 -10.2881 -10.2881 -10.2836 -10.2836 -0.2235 -0.2235 -0.2142 -0.2142 -0.2087 -0.2087 -0.1482 -0.1482 -0.1447 -0.1447 -0.1211 -0.1211 1.8043 1.8043 1.8368 1.8368 1.8448 1.8448 1.9121 1.9121 1.9881 1.9881 2.0489 2.0489 2.1515 2.1515 2.2641 2.2641 2.3180 2.3180 3.6576 3.6576 7.3595 7.3595 7.3816 7.3816 9.6765 9.6765 11.8094 11.8094 12.1605 12.1605 13.8572 13.8572 13.8701 13.8701 14.5970 14.5970 15.1517 15.1517 15.1876 15.1876 k = 0.2288 0.2288 0.2288 ( 3533 PWs) bands (ev): -30.7254 -30.7254 -11.7207 -11.7207 -10.2888 -10.2888 -10.2842 -10.2842 -0.2226 -0.2226 -0.2126 -0.2126 -0.2073 -0.2073 -0.1473 -0.1473 -0.1428 -0.1428 -0.1193 -0.1193 1.8059 1.8059 1.8429 1.8429 1.8439 1.8439 1.9098 1.9098 1.9899 1.9899 2.0526 2.0526 2.1418 2.1418 2.2550 2.2550 2.3141 2.3141 3.7439 3.7439 7.3138 7.3138 7.3395 7.3395 9.6381 9.6381 11.7159 11.7159 12.0714 12.0714 13.8815 13.8815 13.9846 13.9846 14.5161 14.5161 15.1710 15.1710 15.2081 15.2081 k = 0.2373 0.2373 0.2373 ( 3536 PWs) bands (ev): -30.7254 -30.7254 -11.7211 -11.7211 -10.2894 -10.2894 -10.2848 -10.2848 -0.2218 -0.2218 -0.2111 -0.2111 -0.2060 -0.2060 -0.1467 -0.1467 -0.1412 -0.1412 -0.1179 -0.1179 1.8068 1.8068 1.8425 1.8425 1.8487 1.8487 1.9078 1.9078 1.9921 1.9921 2.0559 2.0559 2.1320 2.1320 2.2469 2.2469 2.3107 2.3107 3.8329 3.8329 7.2704 7.2704 7.2995 7.2995 9.6035 9.6035 11.6233 11.6233 11.9825 11.9825 13.8287 13.8287 14.1100 14.1100 14.4879 14.4879 15.1911 15.1911 15.2293 15.2293 k = 0.2458 0.2458 0.2458 ( 3536 PWs) bands (ev): -30.7253 -30.7253 -11.7215 -11.7215 -10.2900 -10.2900 -10.2853 -10.2853 -0.2210 -0.2210 -0.2098 -0.2098 -0.2049 -0.2049 -0.1464 -0.1464 -0.1397 -0.1397 -0.1167 -0.1167 1.8070 1.8070 1.8408 1.8408 1.8545 1.8545 1.9063 1.9063 1.9947 1.9947 2.0586 2.0586 2.1222 2.1222 2.2400 2.2400 2.3079 2.3079 3.9244 3.9244 7.2292 7.2292 7.2617 7.2617 9.5725 9.5725 11.5321 11.5321 11.8943 11.8943 13.7164 13.7164 14.2320 14.2320 14.5104 14.5104 15.2121 15.2121 15.2511 15.2511 k = 0.2542 0.2542 0.2542 ( 3527 PWs) bands (ev): -30.7253 -30.7253 -11.7219 -11.7219 -10.2905 -10.2905 -10.2859 -10.2859 -0.2204 -0.2204 -0.2085 -0.2085 -0.2039 -0.2039 -0.1464 -0.1464 -0.1385 -0.1385 -0.1159 -0.1159 1.8066 1.8066 1.8388 1.8388 1.8600 1.8600 1.9051 1.9051 1.9977 1.9977 2.0605 2.0605 2.1124 2.1124 2.2344 2.2344 2.3057 2.3057 4.0185 4.0185 7.1903 7.1903 7.2261 7.2261 9.5455 9.5455 11.4424 11.4424 11.8071 11.8071 13.5679 13.5679 14.3497 14.3497 14.5620 14.5620 15.2342 15.2342 15.2738 15.2738 k = 0.2627 0.2627 0.2627 ( 3527 PWs) bands (ev): -30.7253 -30.7253 -11.7222 -11.7222 -10.2910 -10.2910 -10.2864 -10.2864 -0.2198 -0.2198 -0.2074 -0.2074 -0.2032 -0.2032 -0.1468 -0.1468 -0.1375 -0.1375 -0.1153 -0.1153 1.8055 1.8055 1.8366 1.8366 1.8653 1.8653 1.9042 1.9042 2.0011 2.0011 2.0614 2.0614 2.1028 2.1028 2.2304 2.2304 2.3041 2.3041 4.1150 4.1150 7.1536 7.1536 7.1926 7.1926 9.5222 9.5222 11.3546 11.3546 11.7214 11.7214 13.4009 13.4009 14.4620 14.4620 14.6255 14.6255 15.2576 15.2576 15.2974 15.2974 k = 0.2712 0.2712 0.2712 ( 3530 PWs) bands (ev): -30.7252 -30.7252 -11.7225 -11.7225 -10.2914 -10.2914 -10.2869 -10.2869 -0.2193 -0.2193 -0.2064 -0.2064 -0.2026 -0.2026 -0.1475 -0.1475 -0.1367 -0.1367 -0.1151 -0.1151 1.8037 1.8037 1.8343 1.8343 1.8704 1.8704 1.9035 1.9035 2.0047 2.0047 2.0611 2.0611 2.0935 2.0935 2.2281 2.2281 2.3031 2.3031 4.2139 4.2139 7.1191 7.1191 7.1612 7.1612 9.5029 9.5029 11.2689 11.2689 11.6372 11.6372 13.2246 13.2246 14.5677 14.5677 14.6923 14.6923 15.2824 15.2824 15.3219 15.3219 k = 0.2797 0.2797 0.2797 ( 3530 PWs) bands (ev): -30.7252 -30.7252 -11.7229 -11.7229 -10.2918 -10.2918 -10.2874 -10.2874 -0.2189 -0.2189 -0.2056 -0.2056 -0.2021 -0.2021 -0.1485 -0.1485 -0.1362 -0.1362 -0.1152 -0.1152 1.8013 1.8013 1.8318 1.8318 1.8752 1.8752 1.9029 1.9029 2.0085 2.0085 2.0597 2.0597 2.0846 2.0846 2.2276 2.2276 2.3027 2.3027 4.3149 4.3149 7.0868 7.0868 7.1319 7.1319 9.4874 9.4874 11.1853 11.1853 11.5547 11.5547 13.0437 13.0437 14.6660 14.6660 14.7578 14.7578 15.3092 15.3092 15.3477 15.3477 k = 0.2881 0.2881 0.2881 ( 3530 PWs) bands (ev): -30.7251 -30.7251 -11.7231 -11.7231 -10.2922 -10.2922 -10.2878 -10.2878 -0.2186 -0.2186 -0.2049 -0.2049 -0.2018 -0.2018 -0.1499 -0.1499 -0.1359 -0.1359 -0.1155 -0.1155 1.7984 1.7984 1.8292 1.8292 1.8797 1.8797 1.9025 1.9025 2.0124 2.0124 2.0571 2.0571 2.0761 2.0761 2.2290 2.2290 2.3028 2.3028 4.4181 4.4181 7.0566 7.0566 7.1046 7.1046 9.4757 9.4757 11.1040 11.1040 11.4741 11.4741 12.8608 12.8608 14.7558 14.7558 14.8197 14.8197 15.3383 15.3383 15.3745 15.3745 k = 0.2966 0.2966 0.2966 ( 3530 PWs) bands (ev): -30.7251 -30.7251 -11.7234 -11.7234 -10.2925 -10.2925 -10.2883 -10.2883 -0.2184 -0.2184 -0.2043 -0.2043 -0.2017 -0.2017 -0.1515 -0.1515 -0.1359 -0.1359 -0.1161 -0.1161 1.7951 1.7951 1.8265 1.8265 1.8840 1.8840 1.9020 1.9020 2.0163 2.0163 2.0534 2.0534 2.0681 2.0681 2.2320 2.2320 2.3035 2.3035 4.5233 4.5233 7.0285 7.0285 7.0793 7.0793 9.4677 9.4677 11.0250 11.0250 11.3955 11.3955 12.6775 12.6775 14.8363 14.8363 14.8766 14.8766 15.3702 15.3702 15.4014 15.4014 k = 0.3051 0.3051 0.3051 ( 3527 PWs) bands (ev): -30.7251 -30.7251 -11.7237 -11.7237 -10.2928 -10.2928 -10.2887 -10.2887 -0.2182 -0.2182 -0.2038 -0.2038 -0.2016 -0.2016 -0.1534 -0.1534 -0.1362 -0.1362 -0.1169 -0.1169 1.7914 1.7914 1.8236 1.8236 1.8879 1.8879 1.9015 1.9015 2.0202 2.0202 2.0490 2.0490 2.0607 2.0607 2.2364 2.2364 2.3047 2.3047 4.6304 4.6304 7.0024 7.0024 7.0558 7.0558 9.4632 9.4632 10.9485 10.9485 11.3189 11.3189 12.4947 12.4947 14.9068 14.9068 14.9278 14.9278 15.4054 15.4054 15.4237 15.4237 k = 0.3136 0.3136 0.3136 ( 3533 PWs) bands (ev): -30.7250 -30.7250 -11.7239 -11.7239 -10.2930 -10.2930 -10.2891 -10.2891 -0.2180 -0.2180 -0.2036 -0.2036 -0.2016 -0.2016 -0.1557 -0.1557 -0.1367 -0.1367 -0.1179 -0.1179 1.7875 1.7875 1.8206 1.8206 1.8915 1.8915 1.9010 1.9010 2.0238 2.0238 2.0439 2.0439 2.0541 2.0541 2.2420 2.2420 2.3065 2.3065 4.7392 4.7392 6.9783 6.9783 7.0343 7.0343 9.4622 9.4622 10.8745 10.8745 11.2443 11.2443 12.3133 12.3133 14.9672 14.9672 14.9729 14.9729 15.4400 15.4400 15.4440 15.4440 k = 0.3220 0.3220 0.3220 ( 3533 PWs) bands (ev): -30.7250 -30.7250 -11.7241 -11.7241 -10.2932 -10.2932 -10.2895 -10.2895 -0.2180 -0.2180 -0.2036 -0.2036 -0.2017 -0.2017 -0.1581 -0.1581 -0.1375 -0.1375 -0.1190 -0.1190 1.7833 1.7833 1.8174 1.8174 1.8947 1.8947 1.9005 1.9005 2.0269 2.0269 2.0385 2.0385 2.0485 2.0485 2.2487 2.2487 2.3087 2.3087 4.8497 4.8497 6.9561 6.9561 7.0145 7.0145 9.4644 9.4644 10.8030 10.8030 11.1718 11.1718 12.1339 12.1339 15.0120 15.0120 15.0177 15.0177 15.4534 15.4534 15.4859 15.4859 k = 0.3305 0.3305 0.3305 ( 3536 PWs) bands (ev): -30.7249 -30.7249 -11.7243 -11.7243 -10.2934 -10.2934 -10.2899 -10.2899 -0.2179 -0.2179 -0.2038 -0.2038 -0.2017 -0.2017 -0.1608 -0.1608 -0.1386 -0.1386 -0.1203 -0.1203 1.7791 1.7791 1.8140 1.8140 1.8974 1.8974 1.8998 1.8998 2.0288 2.0288 2.0330 2.0330 2.0445 2.0445 2.2561 2.2561 2.3114 2.3114 4.9617 4.9617 6.9357 6.9357 6.9964 6.9964 9.4695 9.4695 10.7341 10.7341 11.1013 11.1013 11.9573 11.9573 15.0454 15.0454 15.0590 15.0590 15.4648 15.4648 15.5304 15.5304 k = 0.3390 0.3390 0.3390 ( 3536 PWs) bands (ev): -30.7249 -30.7249 -11.7244 -11.7244 -10.2935 -10.2935 -10.2902 -10.2902 -0.2180 -0.2180 -0.2043 -0.2043 -0.2017 -0.2017 -0.1636 -0.1636 -0.1399 -0.1399 -0.1216 -0.1216 1.7748 1.7748 1.8105 1.8105 1.8991 1.8991 1.8997 1.8997 2.0276 2.0276 2.0285 2.0285 2.0432 2.0432 2.2640 2.2640 2.3145 2.3145 5.0749 5.0749 6.9172 6.9172 6.9800 6.9800 9.4772 9.4772 10.6679 10.6679 11.0326 11.0326 11.7842 11.7842 15.0737 15.0737 15.0924 15.0924 15.4741 15.4741 15.5766 15.5766 k = 0.3475 0.3475 0.3475 ( 3536 PWs) bands (ev): -30.7249 -30.7249 -11.7246 -11.7246 -10.2936 -10.2936 -10.2905 -10.2905 -0.2181 -0.2181 -0.2050 -0.2050 -0.2018 -0.2018 -0.1666 -0.1666 -0.1414 -0.1414 -0.1231 -0.1231 1.7706 1.7706 1.8068 1.8068 1.8982 1.8982 1.9015 1.9015 2.0225 2.0225 2.0262 2.0262 2.0445 2.0445 2.2723 2.2723 2.3180 2.3180 5.1893 5.1893 6.9003 6.9003 6.9652 6.9652 9.4871 9.4871 10.6045 10.6045 10.9654 10.9654 11.6154 11.6154 15.0974 15.0974 15.1192 15.1192 15.4808 15.4808 15.6237 15.6237 k = 0.3559 0.3559 0.3559 ( 3527 PWs) bands (ev): -30.7248 -30.7248 -11.7247 -11.7247 -10.2937 -10.2937 -10.2908 -10.2908 -0.2182 -0.2182 -0.2058 -0.2058 -0.2019 -0.2019 -0.1697 -0.1697 -0.1431 -0.1431 -0.1245 -0.1245 1.7663 1.7663 1.8031 1.8031 1.8972 1.8972 1.9027 1.9027 2.0177 2.0177 2.0231 2.0231 2.0468 2.0468 2.2808 2.2808 2.3217 2.3217 5.3045 5.3045 6.8851 6.8851 6.9518 6.9518 9.4987 9.4987 10.5439 10.5439 10.8991 10.8991 11.4522 11.4522 15.1172 15.1172 15.1405 15.1405 15.4842 15.4842 15.6708 15.6708 k = 0.3644 0.3644 0.3644 ( 3533 PWs) bands (ev): -30.7248 -30.7248 -11.7248 -11.7248 -10.2937 -10.2937 -10.2911 -10.2911 -0.2183 -0.2183 -0.2067 -0.2067 -0.2020 -0.2020 -0.1729 -0.1729 -0.1449 -0.1449 -0.1260 -0.1260 1.7622 1.7622 1.7993 1.7993 1.8961 1.8961 1.9033 1.9033 2.0135 2.0135 2.0200 2.0200 2.0495 2.0495 2.2894 2.2894 2.3258 2.3258 5.4204 5.4204 6.8715 6.8715 6.9399 6.9399 9.5112 9.5112 10.4861 10.4861 10.8326 10.8326 11.2966 11.2966 15.1338 15.1338 15.1574 15.1574 15.4835 15.4835 15.7171 15.7171 k = 0.3729 0.3729 0.3729 ( 3527 PWs) bands (ev): -30.7248 -30.7248 -11.7249 -11.7249 -10.2937 -10.2937 -10.2913 -10.2913 -0.2185 -0.2185 -0.2078 -0.2078 -0.2022 -0.2022 -0.1761 -0.1761 -0.1468 -0.1468 -0.1275 -0.1275 1.7581 1.7581 1.7955 1.7955 1.8949 1.8949 1.9033 1.9033 2.0099 2.0099 2.0171 2.0171 2.0522 2.0522 2.2980 2.2980 2.3299 2.3299 5.5367 5.5367 6.8593 6.8593 6.9293 6.9293 9.5239 9.5239 10.4313 10.4313 10.7639 10.7639 11.1513 11.1513 15.1476 15.1476 15.1708 15.1708 15.4778 15.4778 15.7623 15.7623 k = 0.3814 0.3814 0.3814 ( 3527 PWs) bands (ev): -30.7248 -30.7248 -11.7250 -11.7250 -10.2937 -10.2937 -10.2916 -10.2916 -0.2187 -0.2187 -0.2089 -0.2089 -0.2025 -0.2025 -0.1793 -0.1793 -0.1487 -0.1487 -0.1289 -0.1289 1.7541 1.7541 1.7918 1.7918 1.8937 1.8937 1.9028 1.9028 2.0070 2.0070 2.0146 2.0146 2.0549 2.0549 2.3065 2.3065 2.3343 2.3343 5.6531 5.6531 6.8485 6.8485 6.9199 6.9199 9.5358 9.5358 10.3796 10.3796 10.6896 10.6896 11.0208 11.0208 15.1592 15.1592 15.1814 15.1814 15.4660 15.4660 15.8059 15.8059 k = 0.3898 0.3898 0.3898 ( 3527 PWs) bands (ev): -30.7247 -30.7247 -11.7251 -11.7251 -10.2937 -10.2937 -10.2918 -10.2918 -0.2190 -0.2190 -0.2102 -0.2102 -0.2028 -0.2028 -0.1825 -0.1825 -0.1507 -0.1507 -0.1304 -0.1304 1.7503 1.7503 1.7881 1.7881 1.8924 1.8924 1.9017 1.9017 2.0046 2.0046 2.0124 2.0124 2.0575 2.0575 2.3147 2.3147 2.3386 2.3386 5.7691 5.7691 6.8390 6.8390 6.9117 6.9117 9.5456 9.5456 10.3309 10.3309 10.6061 10.6061 10.9101 10.9101 15.1690 15.1690 15.1897 15.1897 15.4471 15.4471 15.8475 15.8475 k = 0.3983 0.3983 0.3983 ( 3518 PWs) bands (ev): -30.7247 -30.7247 -11.7251 -11.7251 -10.2936 -10.2936 -10.2920 -10.2920 -0.2192 -0.2192 -0.2114 -0.2114 -0.2031 -0.2031 -0.1856 -0.1856 -0.1526 -0.1526 -0.1318 -0.1318 1.7467 1.7467 1.7846 1.7846 1.8911 1.8911 1.9002 1.9002 2.0029 2.0029 2.0105 2.0105 2.0599 2.0599 2.3227 2.3227 2.3430 2.3430 5.8842 5.8842 6.8308 6.8308 6.9046 6.9046 9.5514 9.5514 10.2854 10.2854 10.5124 10.5124 10.8222 10.8222 15.1772 15.1772 15.1963 15.1963 15.4203 15.4203 15.8871 15.8871 k = 0.4068 0.4068 0.4068 ( 3521 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2936 -10.2936 -10.2922 -10.2922 -0.2195 -0.2195 -0.2127 -0.2127 -0.2034 -0.2034 -0.1886 -0.1886 -0.1545 -0.1545 -0.1331 -0.1331 1.7433 1.7433 1.7812 1.7812 1.8898 1.8898 1.8984 1.8984 2.0017 2.0017 2.0089 2.0089 2.0622 2.0622 2.3302 2.3302 2.3472 2.3472 5.9979 5.9979 6.8239 6.8239 6.8984 6.8984 9.5511 9.5511 10.2431 10.2431 10.4134 10.4134 10.7545 10.7545 15.1841 15.1841 15.2014 15.2014 15.3856 15.3856 15.9244 15.9244 k = 0.4153 0.4153 0.4153 ( 3521 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2935 -10.2935 -10.2923 -10.2923 -0.2198 -0.2198 -0.2140 -0.2140 -0.2038 -0.2038 -0.1914 -0.1914 -0.1563 -0.1563 -0.1344 -0.1344 1.7401 1.7401 1.7780 1.7780 1.8885 1.8885 1.8963 1.8963 2.0010 2.0010 2.0075 2.0075 2.0642 2.0642 2.3374 2.3374 2.3514 2.3514 6.1095 6.1095 6.8180 6.8180 6.8931 6.8931 9.5419 9.5419 10.2042 10.2042 10.3171 10.3171 10.7020 10.7020 15.1898 15.1898 15.2053 15.2053 15.3435 15.3435 15.9593 15.9593 k = 0.4237 0.4237 0.4237 ( 3518 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2934 -10.2934 -10.2925 -10.2925 -0.2201 -0.2201 -0.2153 -0.2153 -0.2042 -0.2042 -0.1941 -0.1941 -0.1579 -0.1579 -0.1357 -0.1357 1.7371 1.7371 1.7750 1.7750 1.8873 1.8873 1.8940 1.8940 2.0006 2.0006 2.0063 2.0063 2.0662 2.0662 2.3440 2.3440 2.3553 2.3553 6.2180 6.2180 6.8134 6.8134 6.8886 6.8886 9.5209 9.5209 10.1687 10.1687 10.2311 10.2311 10.6604 10.6604 15.1944 15.1944 15.2083 15.2083 15.2957 15.2957 15.9916 15.9916 k = 0.4322 0.4322 0.4322 ( 3518 PWs) bands (ev): -30.7246 -30.7246 -11.7252 -11.7252 -10.2934 -10.2934 -10.2926 -10.2926 -0.2204 -0.2204 -0.2165 -0.2165 -0.2045 -0.2045 -0.1966 -0.1966 -0.1594 -0.1594 -0.1368 -0.1368 1.7344 1.7344 1.7723 1.7723 1.8861 1.8861 1.8918 1.8918 2.0005 2.0005 2.0053 2.0053 2.0679 2.0679 2.3500 2.3500 2.3589 2.3589 6.3223 6.3223 6.8100 6.8100 6.8849 6.8849 9.4860 9.4860 10.1367 10.1367 10.1606 10.1606 10.6269 10.6269 15.1966 15.1966 15.2105 15.2105 15.2456 15.2456 16.0210 16.0210 k = 0.4407 0.4407 0.4407 ( 3518 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2933 -10.2933 -10.2927 -10.2927 -0.2207 -0.2207 -0.2177 -0.2177 -0.2049 -0.2049 -0.1988 -0.1988 -0.1608 -0.1608 -0.1379 -0.1379 1.7319 1.7319 1.7699 1.7699 1.8850 1.8850 1.8896 1.8896 2.0006 2.0006 2.0044 2.0044 2.0695 2.0695 2.3555 2.3555 2.3623 2.3623 6.4209 6.4209 6.8079 6.8079 6.8818 6.8818 9.4377 9.4377 10.1076 10.1076 10.1083 10.1083 10.6001 10.6001 15.1812 15.1812 15.2115 15.2115 15.2122 15.2122 16.0475 16.0475 k = 0.4492 0.4492 0.4492 ( 3515 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2932 -10.2932 -10.2928 -10.2928 -0.2210 -0.2210 -0.2187 -0.2187 -0.2052 -0.2052 -0.2007 -0.2007 -0.1620 -0.1620 -0.1388 -0.1388 1.7298 1.7298 1.7678 1.7678 1.8841 1.8841 1.8876 1.8876 2.0008 2.0008 2.0037 2.0037 2.0709 2.0709 2.3603 2.3603 2.3653 2.3653 6.5117 6.5117 6.8077 6.8077 6.8793 6.8793 9.3793 9.3793 10.0709 10.0709 10.0835 10.0835 10.5788 10.5788 15.1347 15.1347 15.2095 15.2095 15.2135 15.2135 16.0709 16.0709 k = 0.4576 0.4576 0.4576 ( 3514 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2932 -10.2932 -10.2929 -10.2929 -0.2212 -0.2212 -0.2197 -0.2197 -0.2055 -0.2055 -0.2024 -0.2024 -0.1630 -0.1630 -0.1396 -0.1396 1.7279 1.7279 1.7659 1.7659 1.8833 1.8833 1.8857 1.8857 2.0010 2.0010 2.0032 2.0032 2.0720 2.0720 2.3644 2.3644 2.3679 2.3679 6.5920 6.5920 6.8102 6.8102 6.8772 6.8772 9.3164 9.3164 10.0469 10.0469 10.0624 10.0624 10.5622 10.5622 15.0879 15.0879 15.2110 15.2110 15.2143 15.2143 16.0910 16.0910 k = 0.4661 0.4661 0.4661 ( 3514 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2929 -10.2929 -0.2215 -0.2215 -0.2205 -0.2205 -0.2057 -0.2057 -0.2037 -0.2037 -0.1638 -0.1638 -0.1403 -0.1403 1.7264 1.7264 1.7644 1.7644 1.8825 1.8825 1.8842 1.8842 2.0013 2.0013 2.0027 2.0027 2.0730 2.0730 2.3679 2.3679 2.3701 2.3701 6.6577 6.6577 6.8172 6.8172 6.8757 6.8757 9.2551 9.2551 10.0319 10.0319 10.0451 10.0451 10.5497 10.5497 15.0466 15.0466 15.2127 15.2127 15.2149 15.2149 16.1077 16.1077 k = 0.4746 0.4746 0.4746 ( 3520 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2217 -0.2217 -0.2211 -0.2211 -0.2059 -0.2059 -0.2048 -0.2048 -0.1645 -0.1645 -0.1408 -0.1408 1.7252 1.7252 1.7632 1.7632 1.8820 1.8820 1.8829 1.8829 2.0015 2.0015 2.0023 2.0023 2.0738 2.0738 2.3706 2.3706 2.3718 2.3718 6.7042 6.7042 6.8310 6.8310 6.8745 6.8745 9.2010 9.2010 10.0228 10.0228 10.0315 10.0315 10.5408 10.5408 15.0127 15.0127 15.2140 15.2140 15.2154 15.2154 16.1208 16.1208 k = 0.4831 0.4831 0.4831 ( 3532 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2219 -0.2219 -0.2216 -0.2216 -0.2061 -0.2061 -0.2056 -0.2056 -0.1649 -0.1649 -0.1412 -0.1412 1.7243 1.7243 1.7624 1.7624 1.8815 1.8815 1.8820 1.8820 2.0017 2.0017 2.0021 2.0021 2.0743 2.0743 2.3725 2.3725 2.3730 2.3730 6.7304 6.7304 6.8501 6.8501 6.8737 6.8737 9.1586 9.1586 10.0176 10.0176 10.0218 10.0218 10.5348 10.5348 14.9876 14.9876 15.2150 15.2150 15.2156 15.2156 16.1302 16.1302 k = 0.4915 0.4915 0.4915 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2220 -0.2220 -0.2219 -0.2219 -0.2062 -0.2062 -0.2060 -0.2060 -0.1652 -0.1652 -0.1415 -0.1415 1.7238 1.7238 1.7619 1.7619 1.8813 1.8813 1.8814 1.8814 2.0018 2.0018 2.0019 2.0019 2.0746 2.0746 2.3736 2.3736 2.3738 2.3738 6.7420 6.7420 6.8667 6.8667 6.8732 6.8732 9.1317 9.1317 10.0149 10.0149 10.0160 10.0160 10.5313 10.5313 14.9722 14.9722 15.2156 15.2156 15.2157 15.2157 16.1359 16.1359 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2931 -10.2931 -0.2220 -0.2220 -0.2220 -0.2220 -0.2062 -0.2062 -0.2062 -0.2062 -0.1653 -0.1653 -0.1415 -0.1415 1.7236 1.7236 1.7617 1.7617 1.8812 1.8812 1.8812 1.8812 2.0019 2.0019 2.0019 2.0019 2.0747 2.0747 2.3740 2.3740 2.3740 2.3740 6.7452 6.7452 6.8731 6.8731 6.8731 6.8731 9.1225 9.1225 10.0141 10.0141 10.0141 10.0141 10.5302 10.5302 14.9670 14.9670 15.2158 15.2158 15.2158 15.2158 16.1378 16.1378 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2931 -10.2931 -0.2220 -0.2220 -0.2220 -0.2220 -0.2062 -0.2062 -0.2062 -0.2062 -0.1653 -0.1653 -0.1415 -0.1415 1.7236 1.7236 1.7617 1.7617 1.8812 1.8812 1.8812 1.8812 2.0019 2.0019 2.0019 2.0019 2.0747 2.0747 2.3740 2.3740 2.3740 2.3740 6.7452 6.7452 6.8731 6.8731 6.8731 6.8731 9.1225 9.1225 10.0141 10.0141 10.0141 10.0141 10.5302 10.5302 14.9670 14.9670 15.2158 15.2158 15.2158 15.2158 16.1378 16.1378 k = 0.4896 0.5000 0.4896 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2220 -0.2220 -0.2219 -0.2219 -0.2062 -0.2062 -0.2061 -0.2061 -0.1652 -0.1652 -0.1415 -0.1415 1.7238 1.7238 1.7619 1.7619 1.8813 1.8813 1.8814 1.8814 2.0018 2.0018 2.0019 2.0019 2.0746 2.0746 2.3736 2.3736 2.3738 2.3738 6.7420 6.7420 6.8669 6.8669 6.8729 6.8729 9.1318 9.1318 10.0141 10.0141 10.0168 10.0168 10.5314 10.5314 14.9723 14.9723 15.2151 15.2151 15.2162 15.2162 16.1360 16.1360 k = 0.4792 0.5000 0.4792 ( 3532 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2219 -0.2219 -0.2216 -0.2216 -0.2060 -0.2060 -0.2056 -0.2056 -0.1649 -0.1649 -0.1412 -0.1412 1.7243 1.7243 1.7624 1.7624 1.8816 1.8816 1.8819 1.8819 2.0017 2.0017 2.0021 2.0021 2.0743 2.0743 2.3725 2.3725 2.3730 2.3730 6.7309 6.7309 6.8503 6.8503 6.8726 6.8726 9.1590 9.1590 10.0141 10.0141 10.0252 10.0252 10.5349 10.5349 14.9876 14.9876 15.2132 15.2132 15.2176 15.2176 16.1306 16.1306 k = 0.4688 0.5000 0.4687 ( 3520 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2217 -0.2217 -0.2212 -0.2212 -0.2058 -0.2058 -0.2049 -0.2049 -0.1644 -0.1644 -0.1408 -0.1408 1.7252 1.7252 1.7632 1.7632 1.8820 1.8820 1.8829 1.8829 2.0016 2.0016 2.0023 2.0023 2.0738 2.0738 2.3706 2.3706 2.3717 2.3717 6.7073 6.7073 6.8285 6.8285 6.8730 6.8730 9.2024 9.2024 10.0143 10.0143 10.0394 10.0394 10.5412 10.5412 15.0121 15.0121 15.2107 15.2107 15.2198 15.2198 16.1214 16.1214 k = 0.4583 0.5000 0.4583 ( 3516 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2932 -10.2932 -10.2929 -10.2929 -0.2214 -0.2214 -0.2206 -0.2206 -0.2056 -0.2056 -0.2039 -0.2039 -0.1638 -0.1638 -0.1403 -0.1403 1.7264 1.7264 1.7644 1.7644 1.8826 1.8826 1.8841 1.8841 2.0013 2.0013 2.0026 2.0026 2.0730 2.0730 2.3680 2.3680 2.3699 2.3699 6.6666 6.6666 6.8071 6.8071 6.8750 6.8750 9.2589 9.2589 10.0146 10.0146 10.0595 10.0595 10.5512 10.5512 15.0435 15.0435 15.2091 15.2091 15.2228 15.2228 16.1080 16.1080 k = 0.4479 0.5000 0.4479 ( 3508 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2933 -10.2933 -10.2928 -10.2928 -0.2211 -0.2211 -0.2198 -0.2198 -0.2052 -0.2052 -0.2025 -0.2025 -0.1629 -0.1629 -0.1396 -0.1396 1.7280 1.7280 1.7660 1.7660 1.8833 1.8833 1.8858 1.8858 2.0010 2.0010 2.0031 2.0031 2.0720 2.0720 2.3646 2.3646 2.3676 2.3676 6.6089 6.6089 6.7875 6.7875 6.8796 6.8796 9.3251 9.3251 10.0154 10.0154 10.0859 10.0859 10.5658 10.5658 15.0766 15.0766 15.2123 15.2123 15.2267 15.2267 16.0896 16.0896 k = 0.4375 0.5000 0.4375 ( 3510 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2934 -10.2934 -10.2927 -10.2927 -0.2207 -0.2207 -0.2190 -0.2190 -0.2048 -0.2048 -0.2010 -0.2010 -0.1619 -0.1619 -0.1388 -0.1388 1.7299 1.7299 1.7678 1.7678 1.8842 1.8842 1.8877 1.8877 2.0007 2.0007 2.0037 2.0037 2.0708 2.0708 2.3605 2.3605 2.3648 2.3648 6.5380 6.5380 6.7676 6.7676 6.8872 6.8872 9.3975 9.3975 10.0167 10.0167 10.1187 10.1187 10.5866 10.5866 15.1013 15.1013 15.2267 15.2267 15.2336 15.2336 16.0656 16.0656 k = 0.4271 0.5000 0.4271 ( 3510 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2935 -10.2935 -10.2925 -10.2925 -0.2202 -0.2202 -0.2180 -0.2180 -0.2043 -0.2043 -0.1991 -0.1991 -0.1607 -0.1607 -0.1378 -0.1378 1.7320 1.7320 1.7700 1.7700 1.8851 1.8851 1.8900 1.8900 2.0004 2.0004 2.0044 2.0044 2.0695 2.0695 2.3558 2.3558 2.3616 2.3616 6.4578 6.4578 6.7455 6.7455 6.8981 6.8981 9.4724 9.4724 10.0191 10.0191 10.1576 10.1576 10.6157 10.6157 15.1089 15.1089 15.2350 15.2350 15.2673 15.2673 16.0354 16.0354 k = 0.4167 0.5000 0.4167 ( 3520 PWs) bands (ev): -30.7246 -30.7246 -11.7252 -11.7252 -10.2936 -10.2936 -10.2924 -10.2924 -0.2197 -0.2197 -0.2170 -0.2170 -0.2038 -0.2038 -0.1971 -0.1971 -0.1594 -0.1594 -0.1368 -0.1368 1.7345 1.7345 1.7725 1.7725 1.8860 1.8860 1.8925 1.8925 2.0000 2.0000 2.0052 2.0052 2.0679 2.0679 2.3504 2.3504 2.3580 2.3580 6.3711 6.3711 6.7202 6.7202 6.9122 6.9122 9.5465 9.5465 10.0228 10.0228 10.2016 10.2016 10.6553 10.6553 15.1025 15.1025 15.2406 15.2406 15.3184 15.3184 15.9992 15.9992 k = 0.4062 0.5000 0.4062 ( 3522 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2938 -10.2938 -10.2922 -10.2922 -0.2192 -0.2192 -0.2160 -0.2160 -0.2032 -0.2032 -0.1948 -0.1948 -0.1579 -0.1579 -0.1356 -0.1356 1.7373 1.7373 1.7752 1.7752 1.8869 1.8869 1.8953 1.8953 1.9997 1.9997 2.0063 2.0063 2.0662 2.0662 2.3444 2.3444 2.3540 2.3540 6.2801 6.2801 6.6914 6.6914 6.9293 6.9293 9.6175 9.6175 10.0283 10.0283 10.2490 10.2490 10.7084 10.7084 15.0882 15.0882 15.2463 15.2463 15.3741 15.3741 15.9572 15.9572 k = 0.3958 0.5000 0.3958 ( 3514 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2939 -10.2939 -10.2919 -10.2919 -0.2187 -0.2187 -0.2148 -0.2148 -0.2025 -0.2025 -0.1924 -0.1924 -0.1562 -0.1562 -0.1344 -0.1344 1.7403 1.7403 1.7783 1.7783 1.8878 1.8878 1.8984 1.8984 1.9995 1.9995 2.0076 2.0076 2.0644 2.0644 2.3379 2.3379 2.3496 2.3496 6.1862 6.1862 6.6590 6.6590 6.9492 6.9492 9.6838 9.6838 10.0363 10.0363 10.2975 10.2975 10.7774 10.7774 15.0689 15.0689 15.2521 15.2521 15.4268 15.4268 15.9095 15.9095 k = 0.3854 0.5000 0.3854 ( 3514 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2941 -10.2941 -10.2917 -10.2917 -0.2181 -0.2181 -0.2137 -0.2137 -0.2017 -0.2017 -0.1898 -0.1898 -0.1543 -0.1543 -0.1331 -0.1331 1.7436 1.7436 1.7816 1.7816 1.8886 1.8886 1.9016 1.9016 1.9992 1.9992 2.0092 2.0092 2.0625 2.0625 2.3308 2.3308 2.3449 2.3449 6.0908 6.0908 6.6229 6.6229 6.9719 6.9719 9.7452 9.7452 10.0472 10.0472 10.3450 10.3450 10.8637 10.8637 15.0460 15.0460 15.2578 15.2578 15.4703 15.4703 15.8561 15.8561 k = 0.3750 0.5000 0.3750 ( 3510 PWs) bands (ev): -30.7247 -30.7247 -11.7251 -11.7251 -10.2943 -10.2943 -10.2914 -10.2914 -0.2175 -0.2175 -0.2126 -0.2126 -0.2008 -0.2008 -0.1872 -0.1872 -0.1524 -0.1524 -0.1317 -0.1317 1.7470 1.7470 1.7851 1.7851 1.8893 1.8893 1.9050 1.9050 1.9991 1.9991 2.0112 2.0112 2.0605 2.0605 2.3233 2.3233 2.3400 2.3400 5.9948 5.9948 6.5832 6.5832 6.9974 6.9974 9.8019 9.8019 10.0615 10.0615 10.3904 10.3904 10.9669 10.9669 15.0200 15.0200 15.2633 15.2633 15.5007 15.5007 15.7970 15.7970 k = 0.3646 0.5000 0.3646 ( 3510 PWs) bands (ev): -30.7247 -30.7247 -11.7251 -11.7251 -10.2944 -10.2944 -10.2912 -10.2912 -0.2170 -0.2170 -0.2114 -0.2114 -0.1999 -0.1999 -0.1845 -0.1845 -0.1503 -0.1503 -0.1304 -0.1304 1.7507 1.7507 1.7889 1.7889 1.8898 1.8898 1.9086 1.9086 1.9990 1.9990 2.0135 2.0135 2.0584 2.0584 2.3154 2.3154 2.3348 2.3348 5.8989 5.8989 6.5399 6.5399 7.0255 7.0255 9.8548 9.8548 10.0797 10.0797 10.4338 10.4338 11.0853 11.0853 14.9914 14.9914 15.2682 15.2682 15.5168 15.5168 15.7322 15.7322 k = 0.3542 0.5000 0.3542 ( 3526 PWs) bands (ev): -30.7248 -30.7248 -11.7251 -11.7251 -10.2946 -10.2946 -10.2908 -10.2908 -0.2164 -0.2164 -0.2103 -0.2103 -0.1989 -0.1989 -0.1819 -0.1819 -0.1481 -0.1481 -0.1290 -0.1290 1.7544 1.7544 1.7928 1.7928 1.8901 1.8901 1.9122 1.9122 1.9988 1.9988 2.0162 2.0162 2.0565 2.0565 2.3071 2.3071 2.3294 2.3294 5.8037 5.8037 6.4934 6.4934 7.0564 7.0564 9.9049 9.9049 10.1021 10.1021 10.4758 10.4758 11.2165 11.2165 14.9602 14.9602 15.2723 15.2723 15.5199 15.5199 15.6620 15.6620 k = 0.3438 0.5000 0.3437 ( 3522 PWs) bands (ev): -30.7248 -30.7248 -11.7250 -11.7250 -10.2948 -10.2948 -10.2905 -10.2905 -0.2159 -0.2159 -0.2092 -0.2092 -0.1978 -0.1978 -0.1792 -0.1792 -0.1458 -0.1458 -0.1276 -0.1276 1.7583 1.7583 1.7969 1.7969 1.8902 1.8902 1.9158 1.9158 1.9987 1.9987 2.0194 2.0194 2.0547 2.0547 2.2985 2.2985 2.3240 2.3240 5.7097 5.7097 6.4437 6.4437 7.0900 7.0900 9.9532 9.9532 10.1290 10.1290 10.5174 10.5174 11.3580 11.3580 14.9268 14.9268 15.2752 15.2752 15.5119 15.5119 15.5872 15.5872 k = 0.3333 0.5000 0.3333 ( 3534 PWs) bands (ev): -30.7248 -30.7248 -11.7249 -11.7249 -10.2950 -10.2950 -10.2901 -10.2901 -0.2155 -0.2155 -0.2080 -0.2080 -0.1966 -0.1966 -0.1767 -0.1767 -0.1435 -0.1435 -0.1262 -0.1262 1.7622 1.7622 1.8011 1.8011 1.8901 1.8901 1.9195 1.9195 1.9986 1.9986 2.0229 2.0229 2.0532 2.0532 2.2896 2.2896 2.3184 2.3184 5.6173 5.6173 6.3910 6.3910 7.1263 7.1263 10.0005 10.0005 10.1604 10.1604 10.5594 10.5594 11.5075 11.5075 14.8914 14.8914 15.2762 15.2762 15.4840 15.4840 15.5196 15.5196 k = 0.3229 0.5000 0.3229 ( 3520 PWs) bands (ev): -30.7248 -30.7248 -11.7248 -11.7248 -10.2951 -10.2951 -10.2897 -10.2897 -0.2150 -0.2150 -0.2069 -0.2069 -0.1954 -0.1954 -0.1742 -0.1742 -0.1411 -0.1411 -0.1249 -0.1249 1.7661 1.7661 1.8053 1.8053 1.8898 1.8898 1.9230 1.9230 1.9984 1.9984 2.0266 2.0266 2.0524 2.0524 2.2806 2.2806 2.3129 2.3129 5.5269 5.5269 6.3358 6.3358 7.1654 7.1654 10.0475 10.0475 10.1965 10.1965 10.6023 10.6023 11.6633 11.6633 14.8542 14.8542 15.2740 15.2740 15.4085 15.4085 15.4902 15.4902 k = 0.3125 0.5000 0.3125 ( 3524 PWs) bands (ev): -30.7249 -30.7249 -11.7248 -11.7248 -10.2953 -10.2953 -10.2893 -10.2893 -0.2147 -0.2147 -0.2059 -0.2059 -0.1941 -0.1941 -0.1719 -0.1719 -0.1388 -0.1388 -0.1236 -0.1236 1.7700 1.7700 1.8096 1.8096 1.8893 1.8893 1.9265 1.9265 1.9981 1.9981 2.0300 2.0300 2.0527 2.0527 2.2714 2.2714 2.3073 2.3073 5.4386 5.4386 6.2783 6.2783 7.2073 7.2073 10.0947 10.0947 10.2372 10.2372 10.6466 10.6466 11.8237 11.8237 14.8154 14.8154 15.2598 15.2598 15.3265 15.3265 15.4678 15.4678 k = 0.3021 0.5000 0.3021 ( 3516 PWs) bands (ev): -30.7249 -30.7249 -11.7247 -11.7247 -10.2955 -10.2955 -10.2889 -10.2889 -0.2144 -0.2144 -0.2048 -0.2048 -0.1927 -0.1927 -0.1698 -0.1698 -0.1365 -0.1365 -0.1224 -0.1224 1.7738 1.7738 1.8138 1.8138 1.8886 1.8886 1.9299 1.9299 1.9978 1.9978 2.0327 2.0327 2.0546 2.0546 2.2621 2.2621 2.3019 2.3019 5.3527 5.3527 6.2187 6.2187 7.2521 7.2521 10.1423 10.1423 10.2827 10.2827 10.6928 10.6928 11.9875 11.9875 14.7752 14.7752 15.1919 15.1919 15.2883 15.2883 15.4446 15.4446 k = 0.2917 0.5000 0.2917 ( 3524 PWs) bands (ev): -30.7249 -30.7249 -11.7246 -11.7246 -10.2956 -10.2956 -10.2884 -10.2884 -0.2142 -0.2142 -0.2037 -0.2037 -0.1913 -0.1913 -0.1677 -0.1677 -0.1344 -0.1344 -0.1213 -0.1213 1.7774 1.7774 1.8180 1.8180 1.8878 1.8878 1.9330 1.9330 1.9973 1.9973 2.0340 2.0340 2.0587 2.0587 2.2527 2.2527 2.2966 2.2966 5.2694 5.2694 6.1575 6.1575 7.2998 7.2998 10.1903 10.1903 10.3329 10.3329 10.7412 10.7412 12.1535 12.1535 14.7338 14.7338 15.0881 15.0881 15.2769 15.2769 15.4206 15.4206 k = 0.2812 0.5000 0.2812 ( 3524 PWs) bands (ev): -30.7249 -30.7249 -11.7244 -11.7244 -10.2958 -10.2958 -10.2879 -10.2879 -0.2141 -0.2141 -0.2027 -0.2027 -0.1898 -0.1898 -0.1659 -0.1659 -0.1324 -0.1324 -0.1202 -0.1202 1.7808 1.7808 1.8219 1.8219 1.8870 1.8870 1.9360 1.9360 1.9968 1.9968 2.0345 2.0345 2.0645 2.0645 2.2434 2.2434 2.2916 2.2916 5.1889 5.1889 6.0951 6.0951 7.3504 7.3504 10.2386 10.2386 10.3879 10.3879 10.7921 10.7921 12.3208 12.3208 14.6913 14.6913 14.9740 14.9740 15.2669 15.2669 15.3960 15.3960 k = 0.2708 0.5000 0.2708 ( 3528 PWs) bands (ev): -30.7250 -30.7250 -11.7243 -11.7243 -10.2960 -10.2960 -10.2874 -10.2874 -0.2141 -0.2141 -0.2017 -0.2017 -0.1883 -0.1883 -0.1642 -0.1642 -0.1306 -0.1306 -0.1193 -0.1193 1.7840 1.7840 1.8257 1.8257 1.8862 1.8862 1.9388 1.9388 1.9962 1.9962 2.0344 2.0344 2.0717 2.0717 2.2342 2.2342 2.2868 2.2868 5.1111 5.1111 6.0316 6.0316 7.4040 7.4040 10.2869 10.2869 10.4478 10.4478 10.8458 10.8458 12.4883 12.4883 14.6470 14.6470 14.8539 14.8539 15.2551 15.2551 15.3711 15.3711 k = 0.2604 0.5000 0.2604 ( 3516 PWs) bands (ev): -30.7250 -30.7250 -11.7242 -11.7242 -10.2961 -10.2961 -10.2868 -10.2868 -0.2142 -0.2142 -0.2006 -0.2006 -0.1867 -0.1867 -0.1626 -0.1626 -0.1290 -0.1290 -0.1184 -0.1184 1.7868 1.7868 1.8292 1.8292 1.8856 1.8856 1.9413 1.9413 1.9958 1.9958 2.0340 2.0340 2.0797 2.0797 2.2251 2.2251 2.2824 2.2824 5.0363 5.0363 5.9676 5.9676 7.4606 7.4606 10.3350 10.3350 10.5122 10.5122 10.9028 10.9028 12.6551 12.6551 14.5984 14.5984 14.7317 14.7317 15.2405 15.2405 15.3462 15.3462 k = 0.2500 0.5000 0.2500 ( 3516 PWs) bands (ev): -30.7250 -30.7250 -11.7240 -11.7240 -10.2962 -10.2962 -10.2863 -10.2863 -0.2145 -0.2145 -0.1996 -0.1996 -0.1851 -0.1851 -0.1613 -0.1613 -0.1277 -0.1277 -0.1176 -0.1176 1.7892 1.7892 1.8324 1.8324 1.8851 1.8851 1.9435 1.9435 1.9953 1.9953 2.0336 2.0336 2.0883 2.0883 2.2163 2.2163 2.2784 2.2784 4.9644 4.9644 5.9033 5.9033 7.5203 7.5203 10.3828 10.3828 10.5807 10.5807 10.9636 10.9636 12.8203 12.8203 14.5309 14.5309 14.6231 14.6231 15.2227 15.2227 15.3216 15.3216 k = 0.2396 0.5000 0.2396 ( 3516 PWs) bands (ev): -30.7251 -30.7251 -11.7238 -11.7238 -10.2963 -10.2963 -10.2857 -10.2857 -0.2149 -0.2149 -0.1985 -0.1985 -0.1835 -0.1835 -0.1600 -0.1600 -0.1267 -0.1267 -0.1169 -0.1169 1.7912 1.7912 1.8353 1.8353 1.8848 1.8848 1.9455 1.9455 1.9951 1.9951 2.0332 2.0332 2.0972 2.0972 2.2079 2.2079 2.2748 2.2748 4.8956 4.8956 5.8391 5.8391 7.5831 7.5831 10.4302 10.4302 10.6525 10.6525 11.0287 11.0287 12.9828 12.9828 14.4184 14.4184 14.5553 14.5553 15.2013 15.2013 15.2975 15.2975 k = 0.2292 0.5000 0.2292 ( 3512 PWs) bands (ev): -30.7251 -30.7251 -11.7237 -11.7237 -10.2964 -10.2964 -10.2851 -10.2851 -0.2155 -0.2155 -0.1975 -0.1975 -0.1818 -0.1818 -0.1589 -0.1589 -0.1261 -0.1261 -0.1163 -0.1163 1.7927 1.7927 1.8379 1.8379 1.8847 1.8847 1.9473 1.9473 1.9950 1.9950 2.0327 2.0327 2.1062 2.1062 2.1999 2.1999 2.2719 2.2719 4.8299 4.8299 5.7753 5.7753 7.6489 7.6489 10.4772 10.4772 10.7267 10.7267 11.0988 11.0988 13.1409 13.1409 14.2814 14.2814 14.5096 14.5096 15.1760 15.1760 15.2743 15.2743 k = 0.2188 0.5000 0.2187 ( 3512 PWs) bands (ev): -30.7251 -30.7251 -11.7235 -11.7235 -10.2965 -10.2965 -10.2845 -10.2845 -0.2163 -0.2163 -0.1964 -0.1964 -0.1801 -0.1801 -0.1580 -0.1580 -0.1257 -0.1257 -0.1158 -0.1158 1.7937 1.7937 1.8402 1.8402 1.8849 1.8849 1.9489 1.9489 1.9952 1.9952 2.0322 2.0322 2.1148 2.1148 2.1927 2.1927 2.2696 2.2696 4.7672 4.7672 5.7122 5.7122 7.7179 7.7179 10.5235 10.5235 10.8022 10.8022 11.1748 11.1748 13.2927 13.2927 14.1370 14.1370 14.4711 14.4711 15.1467 15.1467 15.2523 15.2523 k = 0.2083 0.5000 0.2083 ( 3512 PWs) bands (ev): -30.7252 -30.7252 -11.7233 -11.7233 -10.2966 -10.2966 -10.2838 -10.2838 -0.2172 -0.2172 -0.1953 -0.1953 -0.1784 -0.1784 -0.1571 -0.1571 -0.1257 -0.1257 -0.1154 -0.1154 1.7941 1.7941 1.8422 1.8422 1.8854 1.8854 1.9503 1.9503 1.9954 1.9954 2.0315 2.0315 2.1226 2.1226 2.1866 2.1866 2.2680 2.2680 4.7077 4.7077 5.6501 5.6501 7.7900 7.7900 10.5692 10.5692 10.8778 10.8778 11.2574 11.2574 13.4332 13.4332 13.9924 13.9924 14.4376 14.4376 15.1138 15.1138 15.2314 15.2314 k = 0.1979 0.5000 0.1979 ( 3510 PWs) bands (ev): -30.7252 -30.7252 -11.7231 -11.7231 -10.2967 -10.2967 -10.2832 -10.2832 -0.2182 -0.2182 -0.1941 -0.1941 -0.1767 -0.1767 -0.1564 -0.1564 -0.1259 -0.1259 -0.1152 -0.1152 1.7941 1.7941 1.8439 1.8439 1.8861 1.8861 1.9517 1.9517 1.9958 1.9958 2.0308 2.0308 2.1290 2.1290 2.1822 2.1822 2.2672 2.2672 4.6513 4.6513 5.5893 5.5893 7.8651 7.8651 10.6140 10.6140 10.9527 10.9527 11.3473 11.3473 13.5467 13.5467 13.8628 13.8628 14.4099 14.4099 15.0776 15.0776 15.2115 15.2115 k = 0.1875 0.5000 0.1875 ( 3506 PWs) bands (ev): -30.7252 -30.7252 -11.7229 -11.7229 -10.2968 -10.2968 -10.2826 -10.2826 -0.2194 -0.2194 -0.1929 -0.1929 -0.1749 -0.1749 -0.1558 -0.1558 -0.1264 -0.1264 -0.1151 -0.1151 1.7936 1.7936 1.8455 1.8455 1.8869 1.8869 1.9530 1.9530 1.9961 1.9961 2.0298 2.0298 2.1332 2.1332 2.1802 2.1802 2.2674 2.2674 4.5980 4.5980 5.5301 5.5301 7.9433 7.9433 10.6577 10.6577 11.0260 11.0260 11.4448 11.4448 13.5617 13.5617 13.8172 13.8172 14.3906 14.3906 15.0391 15.0391 15.1927 15.1927 k = 0.1771 0.5000 0.1771 ( 3506 PWs) bands (ev): -30.7253 -30.7253 -11.7227 -11.7227 -10.2968 -10.2968 -10.2819 -10.2819 -0.2207 -0.2207 -0.1917 -0.1917 -0.1731 -0.1731 -0.1553 -0.1553 -0.1271 -0.1271 -0.1152 -0.1152 1.7927 1.7927 1.8468 1.8468 1.8879 1.8879 1.9544 1.9544 1.9964 1.9964 2.0286 2.0286 2.1344 2.1344 2.1810 2.1810 2.2684 2.2684 4.5478 4.5478 5.4726 5.4726 8.0244 8.0244 10.7002 10.7002 11.0972 11.0972 11.5499 11.5499 13.4480 13.4480 13.8808 13.8808 14.3844 14.3844 14.9995 14.9995 15.1747 15.1747 k = 0.1667 0.5000 0.1667 ( 3518 PWs) bands (ev): -30.7253 -30.7253 -11.7226 -11.7226 -10.2969 -10.2969 -10.2813 -10.2813 -0.2222 -0.2222 -0.1905 -0.1905 -0.1714 -0.1714 -0.1549 -0.1549 -0.1280 -0.1280 -0.1155 -0.1155 1.7915 1.7915 1.8480 1.8480 1.8891 1.8891 1.9559 1.9559 1.9965 1.9965 2.0271 2.0271 2.1332 2.1332 2.1843 2.1843 2.2705 2.2705 4.5007 4.5007 5.4173 5.4173 8.1084 8.1084 10.7412 10.7412 11.1663 11.1663 11.6623 11.6623 13.2990 13.2990 13.9529 13.9529 14.3980 14.3980 14.9605 14.9605 15.1575 15.1575 k = 0.1562 0.5000 0.1562 ( 3516 PWs) bands (ev): -30.7253 -30.7253 -11.7224 -11.7224 -10.2970 -10.2970 -10.2807 -10.2807 -0.2238 -0.2238 -0.1893 -0.1893 -0.1696 -0.1696 -0.1545 -0.1545 -0.1291 -0.1291 -0.1160 -0.1160 1.7900 1.7900 1.8490 1.8490 1.8904 1.8904 1.9575 1.9575 1.9964 1.9964 2.0254 2.0254 2.1305 2.1305 2.1890 2.1890 2.2736 2.2736 4.4567 4.4567 5.3641 5.3641 8.1952 8.1952 10.7803 10.7803 11.2331 11.2331 11.7814 11.7814 13.1423 13.1423 14.0002 14.0002 14.4353 14.4353 14.9255 14.9255 15.1410 15.1410 k = 0.1458 0.5000 0.1458 ( 3512 PWs) bands (ev): -30.7253 -30.7253 -11.7222 -11.7222 -10.2970 -10.2970 -10.2800 -10.2800 -0.2254 -0.2254 -0.1880 -0.1880 -0.1678 -0.1678 -0.1542 -0.1542 -0.1304 -0.1304 -0.1166 -0.1166 1.7884 1.7884 1.8499 1.8499 1.8919 1.8919 1.9592 1.9592 1.9959 1.9959 2.0234 2.0234 2.1271 2.1271 2.1941 2.1941 2.2776 2.2776 4.4157 4.4157 5.3134 5.3134 8.2845 8.2845 10.8172 10.8172 11.2978 11.2978 11.9066 11.9066 12.9841 12.9841 14.0199 14.0199 14.4880 14.4880 14.9005 14.9005 15.1252 15.1252 k = 0.1354 0.5000 0.1354 ( 3512 PWs) bands (ev): -30.7254 -30.7254 -11.7220 -11.7220 -10.2970 -10.2970 -10.2794 -10.2794 -0.2271 -0.2271 -0.1866 -0.1866 -0.1659 -0.1659 -0.1539 -0.1539 -0.1318 -0.1318 -0.1174 -0.1174 1.7866 1.7866 1.8506 1.8506 1.8935 1.8935 1.9610 1.9610 1.9949 1.9949 2.0214 2.0214 2.1237 2.1237 2.1991 2.1991 2.2824 2.2824 4.3777 4.3777 5.2654 5.2654 8.3761 8.3761 10.8515 10.8515 11.3602 11.3602 12.0370 12.0370 12.8271 12.8271 14.0205 14.0205 14.5364 14.5364 14.8964 14.8964 15.1099 15.1099 k = 0.1250 0.5000 0.1250 ( 3506 PWs) bands (ev): -30.7254 -30.7254 -11.7218 -11.7218 -10.2971 -10.2971 -10.2789 -10.2789 -0.2289 -0.2289 -0.1852 -0.1852 -0.1641 -0.1641 -0.1537 -0.1537 -0.1334 -0.1334 -0.1185 -0.1185 1.7848 1.7848 1.8513 1.8513 1.8954 1.8954 1.9629 1.9629 1.9935 1.9935 2.0192 2.0192 2.1204 2.1204 2.2039 2.2039 2.2878 2.2878 4.3427 4.3427 5.2202 5.2202 8.4698 8.4698 10.8826 10.8826 11.4204 11.4204 12.1716 12.1716 12.6730 12.6730 14.0101 14.0101 14.5604 14.5604 14.9253 14.9253 15.0951 15.0951 k = 0.1146 0.5000 0.1146 ( 3514 PWs) bands (ev): -30.7254 -30.7254 -11.7216 -11.7216 -10.2971 -10.2971 -10.2783 -10.2783 -0.2307 -0.2307 -0.1838 -0.1838 -0.1622 -0.1622 -0.1535 -0.1535 -0.1351 -0.1351 -0.1196 -0.1196 1.7829 1.7829 1.8518 1.8518 1.8973 1.8973 1.9648 1.9648 1.9914 1.9914 2.0172 2.0172 2.1173 2.1173 2.2084 2.2084 2.2937 2.2937 4.3106 4.3106 5.1780 5.1780 8.5650 8.5650 10.9099 10.9099 11.4780 11.4780 12.3080 12.3080 12.5252 12.5252 13.9940 13.9940 14.5561 14.5561 14.9862 14.9862 15.0807 15.0807 k = 0.1042 0.5000 0.1042 ( 3530 PWs) bands (ev): -30.7255 -30.7255 -11.7215 -11.7215 -10.2971 -10.2971 -10.2778 -10.2778 -0.2325 -0.2325 -0.1824 -0.1824 -0.1604 -0.1604 -0.1534 -0.1534 -0.1368 -0.1368 -0.1209 -0.1209 1.7811 1.7811 1.8522 1.8522 1.8995 1.8995 1.9666 1.9666 1.9886 1.9886 2.0153 2.0153 2.1146 2.1146 2.2124 2.2124 2.2998 2.2998 4.2815 4.2815 5.1389 5.1389 8.6614 8.6614 10.9326 10.9326 11.5326 11.5326 12.3649 12.3649 12.4657 12.4657 13.9748 13.9748 14.5349 14.5349 15.0625 15.0625 15.0703 15.0703 k = 0.0938 0.5000 0.0937 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7213 -11.7213 -10.2972 -10.2972 -10.2773 -10.2773 -0.2342 -0.2342 -0.1809 -0.1809 -0.1585 -0.1585 -0.1532 -0.1532 -0.1386 -0.1386 -0.1223 -0.1223 1.7793 1.7793 1.8526 1.8526 1.9019 1.9019 1.9685 1.9685 1.9853 1.9853 2.0137 2.0137 2.1121 2.1121 2.2162 2.2162 2.3058 2.3058 4.2553 4.2553 5.1031 5.1031 8.7582 8.7582 10.9499 10.9499 11.5837 11.5837 12.2368 12.2368 12.6010 12.6010 13.9538 13.9538 14.5075 14.5075 15.0514 15.0514 15.1553 15.1553 k = 0.0833 0.5000 0.0833 ( 3520 PWs) bands (ev): -30.7255 -30.7255 -11.7211 -11.7211 -10.2972 -10.2972 -10.2769 -10.2769 -0.2358 -0.2358 -0.1795 -0.1795 -0.1567 -0.1567 -0.1531 -0.1531 -0.1404 -0.1404 -0.1238 -0.1238 1.7777 1.7777 1.8529 1.8529 1.9044 1.9044 1.9701 1.9701 1.9817 1.9817 2.0123 2.0123 2.1100 2.1100 2.2196 2.2196 2.3117 2.3117 4.2319 4.2319 5.0708 5.0708 8.8545 8.8545 10.9607 10.9607 11.6301 11.6301 12.1124 12.1124 12.7437 12.7437 13.9315 13.9315 14.4806 14.4806 15.0363 15.0363 15.2457 15.2457 k = 0.0729 0.5000 0.0729 ( 3516 PWs) bands (ev): -30.7255 -30.7255 -11.7210 -11.7210 -10.2972 -10.2972 -10.2764 -10.2764 -0.2374 -0.2374 -0.1780 -0.1780 -0.1550 -0.1550 -0.1529 -0.1529 -0.1422 -0.1422 -0.1254 -0.1254 1.7762 1.7762 1.8532 1.8532 1.9071 1.9071 1.9713 1.9713 1.9780 1.9780 2.0111 2.0111 2.1081 2.1081 2.2227 2.2227 2.3172 2.3172 4.2114 4.2114 5.0419 5.0419 8.9491 8.9491 10.9638 10.9638 11.6699 11.6699 12.0020 12.0020 12.8858 12.8858 13.9080 13.9080 14.4589 14.4589 15.0197 15.0197 15.3348 15.3348 k = 0.0625 0.5000 0.0625 ( 3516 PWs) bands (ev): -30.7255 -30.7255 -11.7209 -11.7209 -10.2972 -10.2972 -10.2761 -10.2761 -0.2388 -0.2388 -0.1765 -0.1765 -0.1538 -0.1538 -0.1522 -0.1522 -0.1440 -0.1440 -0.1271 -0.1271 1.7748 1.7748 1.8534 1.8534 1.9100 1.9100 1.9707 1.9707 1.9758 1.9758 2.0102 2.0102 2.1065 2.1065 2.2254 2.2254 2.3221 2.3221 4.1936 4.1936 5.0167 5.0167 9.0404 9.0404 10.9585 10.9585 11.6981 11.6981 11.9129 11.9129 13.0246 13.0246 13.8829 13.8829 14.4460 14.4460 15.0005 15.0005 15.4197 15.4197 k = 0.0521 0.5000 0.0521 ( 3522 PWs) bands (ev): -30.7255 -30.7255 -11.7208 -11.7208 -10.2972 -10.2972 -10.2758 -10.2758 -0.2400 -0.2400 -0.1751 -0.1751 -0.1535 -0.1535 -0.1507 -0.1507 -0.1456 -0.1456 -0.1288 -0.1288 1.7736 1.7736 1.8536 1.8536 1.9129 1.9129 1.9673 1.9673 1.9761 1.9761 2.0094 2.0094 2.1051 2.1051 2.2278 2.2278 2.3265 2.3265 4.1786 4.1786 4.9952 4.9952 9.1265 9.1265 10.9445 10.9445 11.7026 11.7026 11.8590 11.8590 13.1573 13.1573 13.8560 13.8560 14.4449 14.4449 14.9771 14.9771 15.4971 15.4971 k = 0.0417 0.5000 0.0417 ( 3530 PWs) bands (ev): -30.7256 -30.7256 -11.7207 -11.7207 -10.2972 -10.2972 -10.2755 -10.2755 -0.2411 -0.2411 -0.1738 -0.1738 -0.1535 -0.1535 -0.1489 -0.1489 -0.1471 -0.1471 -0.1305 -0.1305 1.7727 1.7727 1.8538 1.8538 1.9158 1.9158 1.9633 1.9633 1.9770 1.9770 2.0088 2.0088 2.1040 2.1040 2.2298 2.2298 2.3302 2.3302 4.1664 4.1664 4.9775 4.9775 9.2046 9.2046 10.9232 10.9232 11.6771 11.6771 11.8474 11.8474 13.2807 13.2807 13.8264 13.8264 14.4584 14.4584 14.9468 14.9468 15.5589 15.5589 k = 0.0312 0.5000 0.0312 ( 3530 PWs) bands (ev): -30.7256 -30.7256 -11.7207 -11.7207 -10.2972 -10.2972 -10.2753 -10.2753 -0.2419 -0.2419 -0.1726 -0.1726 -0.1536 -0.1536 -0.1484 -0.1484 -0.1473 -0.1473 -0.1321 -0.1321 1.7719 1.7719 1.8539 1.8539 1.9186 1.9186 1.9595 1.9595 1.9778 1.9778 2.0083 2.0083 2.1031 2.1031 2.2314 2.2314 2.3332 2.3332 4.1569 4.1569 4.9637 4.9637 9.2714 9.2714 10.8978 10.8978 11.6427 11.6427 11.8564 11.8564 13.3916 13.3916 13.7936 13.7936 14.4881 14.4881 14.9070 14.9070 15.5801 15.5801 k = 0.0208 0.5000 0.0208 ( 3530 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2752 -10.2752 -0.2425 -0.2425 -0.1716 -0.1716 -0.1537 -0.1537 -0.1493 -0.1493 -0.1458 -0.1458 -0.1336 -0.1336 1.7713 1.7713 1.8540 1.8540 1.9210 1.9210 1.9562 1.9562 1.9784 1.9784 2.0080 2.0080 2.1025 2.1025 2.2325 2.2325 2.3353 2.3353 4.1502 4.1502 4.9538 4.9538 9.3233 9.3233 10.8736 10.8736 11.6154 11.6154 11.8681 11.8681 13.4867 13.4867 13.7570 13.7570 14.5331 14.5331 14.8563 14.8563 15.5434 15.5434 k = 0.0104 0.5000 0.0104 ( 3522 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2751 -10.2751 -0.2429 -0.2429 -0.1710 -0.1710 -0.1539 -0.1539 -0.1498 -0.1498 -0.1446 -0.1446 -0.1347 -0.1347 1.7710 1.7710 1.8540 1.8540 1.9228 1.9228 1.9540 1.9540 1.9788 1.9788 2.0078 2.0078 2.1022 2.1022 2.2332 2.2332 2.3366 2.3366 4.1461 4.1461 4.9478 4.9478 9.3564 9.3564 10.8561 10.8561 11.5989 11.5989 11.8764 11.8764 13.5619 13.5619 13.7179 13.7179 14.5854 14.5854 14.8007 14.8007 15.5016 15.5016 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -30.7256 -30.7256 -11.7206 -11.7206 -10.2972 -10.2972 -10.2750 -10.2750 -0.2430 -0.2430 -0.1707 -0.1707 -0.1540 -0.1540 -0.1500 -0.1500 -0.1442 -0.1442 -0.1351 -0.1351 1.7709 1.7709 1.8541 1.8541 1.9234 1.9234 1.9532 1.9532 1.9790 1.9790 2.0078 2.0078 2.1021 2.1021 2.2334 2.2334 2.3371 2.3371 4.1448 4.1448 4.9458 4.9458 9.3678 9.3678 10.8497 10.8497 11.5935 11.5935 11.8793 11.8793 13.5988 13.5988 13.6932 13.6932 14.6157 14.6157 14.7692 14.7692 15.4859 15.4859 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3009 -10.3009 -10.2848 -10.2848 -0.2077 -0.2077 -0.1968 -0.1968 -0.1520 -0.1520 -0.1474 -0.1474 -0.1225 -0.1225 -0.1066 -0.1066 1.8629 1.8630 1.8718 1.8718 1.9605 1.9605 1.9673 1.9673 1.9842 1.9842 2.0027 2.0027 2.0429 2.0429 2.1560 2.1560 2.1750 2.1750 5.3372 5.3372 6.2437 6.2437 6.2885 6.2885 8.9175 8.9175 12.2070 12.2070 12.2975 12.2975 13.7279 13.7279 14.2227 14.2227 14.7452 14.7452 14.8169 14.8169 15.2367 15.2367 k = 0.5000 0.5000 0.0147 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3009 -10.3009 -10.2848 -10.2848 -0.2077 -0.2077 -0.1969 -0.1969 -0.1521 -0.1521 -0.1475 -0.1475 -0.1226 -0.1226 -0.1067 -0.1067 1.8623 1.8623 1.8715 1.8715 1.9604 1.9604 1.9671 1.9671 1.9843 1.9843 2.0027 2.0027 2.0428 2.0428 2.1567 2.1567 2.1758 2.1758 5.3393 5.3393 6.2446 6.2446 6.2895 6.2895 8.9195 8.9195 12.1996 12.1996 12.2920 12.2920 13.6810 13.6810 14.2579 14.2579 14.7450 14.7450 14.8175 14.8175 15.2403 15.2403 k = 0.5000 0.5000 0.0294 ( 3544 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3009 -10.3009 -10.2848 -10.2848 -0.2077 -0.2077 -0.1970 -0.1970 -0.1526 -0.1526 -0.1479 -0.1479 -0.1229 -0.1229 -0.1069 -0.1069 1.8606 1.8606 1.8704 1.8704 1.9600 1.9600 1.9665 1.9665 1.9846 1.9846 2.0025 2.0025 2.0422 2.0422 2.1588 2.1588 2.1781 2.1781 5.3455 5.3455 6.2472 6.2472 6.2924 6.2924 8.9256 8.9256 12.1778 12.1778 12.2759 12.2759 13.5668 13.5668 14.3379 14.3379 14.7448 14.7448 14.8193 14.8193 15.2512 15.2512 k = 0.5000 0.5000 0.0441 ( 3540 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3008 -10.3008 -10.2849 -10.2849 -0.2078 -0.2078 -0.1973 -0.1973 -0.1532 -0.1532 -0.1486 -0.1486 -0.1233 -0.1233 -0.1073 -0.1073 1.8577 1.8577 1.8687 1.8687 1.9593 1.9593 1.9654 1.9654 1.9851 1.9851 2.0024 2.0024 2.0415 2.0415 2.1622 2.1622 2.1818 2.1818 5.3560 5.3560 6.2516 6.2516 6.2973 6.2973 8.9356 8.9356 12.1424 12.1424 12.2494 12.2494 13.4195 13.4195 14.4317 14.4317 14.7455 14.7455 14.8224 14.8224 15.2689 15.2689 k = 0.5000 0.5000 0.0588 ( 3540 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3007 -10.3007 -10.2851 -10.2851 -0.2079 -0.2079 -0.1976 -0.1976 -0.1542 -0.1542 -0.1496 -0.1496 -0.1239 -0.1239 -0.1077 -0.1077 1.8539 1.8539 1.8663 1.8663 1.9583 1.9583 1.9639 1.9639 1.9858 1.9858 2.0023 2.0023 2.0406 2.0406 2.1669 2.1669 2.1868 2.1868 5.3705 5.3705 6.2577 6.2577 6.3042 6.3042 8.9496 8.9496 12.0945 12.0945 12.2131 12.2131 13.2554 13.2554 14.5270 14.5270 14.7479 14.7479 14.8267 14.8267 15.2929 15.2929 k = 0.5000 0.5000 0.0735 ( 3540 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3005 -10.3005 -10.2852 -10.2852 -0.2081 -0.2081 -0.1981 -0.1981 -0.1554 -0.1554 -0.1508 -0.1508 -0.1246 -0.1246 -0.1083 -0.1083 1.8492 1.8492 1.8634 1.8634 1.9567 1.9567 1.9620 1.9620 1.9865 1.9865 2.0023 2.0023 2.0397 2.0397 2.1727 2.1727 2.1928 2.1928 5.3892 5.3892 6.2656 6.2656 6.3130 6.3130 8.9676 8.9676 12.0357 12.0357 12.1679 12.1679 13.0820 13.0820 14.6208 14.6208 14.7523 14.7523 14.8322 14.8322 15.3223 15.3223 k = 0.5000 0.5000 0.0882 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3003 -10.3003 -10.2854 -10.2854 -0.2082 -0.2082 -0.1986 -0.1986 -0.1569 -0.1569 -0.1522 -0.1522 -0.1255 -0.1255 -0.1090 -0.1090 1.8439 1.8439 1.8600 1.8600 1.9547 1.9547 1.9598 1.9598 1.9873 1.9873 2.0026 2.0026 2.0389 2.0389 2.1795 2.1795 2.1997 2.1997 5.4118 5.4118 6.2752 6.2752 6.3236 6.3236 8.9893 8.9893 11.9676 11.9676 12.1147 12.1147 12.9031 12.9031 14.7126 14.7126 14.7590 14.7590 14.8389 14.8389 15.3564 15.3564 k = 0.5000 0.5000 0.1029 ( 3524 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.3001 -10.3001 -10.2856 -10.2856 -0.2084 -0.2084 -0.1992 -0.1992 -0.1585 -0.1585 -0.1539 -0.1539 -0.1265 -0.1265 -0.1099 -0.1099 1.8380 1.8380 1.8562 1.8562 1.9521 1.9521 1.9572 1.9572 1.9881 1.9881 2.0031 2.0031 2.0383 2.0383 2.1871 2.1871 2.2073 2.2073 5.4385 5.4385 6.2864 6.2864 6.3361 6.3361 9.0148 9.0148 11.8916 11.8916 12.0544 12.0544 12.7212 12.7212 14.7677 14.7677 14.8034 14.8034 14.8468 14.8468 15.3942 15.3942 k = 0.5000 0.5000 0.1176 ( 3532 PWs) bands (ev): -30.7250 -30.7250 -11.7252 -11.7252 -10.2999 -10.2999 -10.2859 -10.2859 -0.2087 -0.2087 -0.1999 -0.1999 -0.1604 -0.1604 -0.1558 -0.1558 -0.1277 -0.1277 -0.1108 -0.1108 1.8317 1.8317 1.8520 1.8520 1.9490 1.9490 1.9544 1.9544 1.9890 1.9890 2.0038 2.0038 2.0379 2.0379 2.1954 2.1954 2.2155 2.2155 5.4690 5.4690 6.2992 6.2992 6.3504 6.3504 9.0439 9.0439 11.8093 11.8093 11.9879 11.9879 12.5378 12.5378 14.7789 14.7789 14.8558 14.8558 14.8927 14.8927 15.4349 15.4349 k = 0.5000 0.5000 0.1324 ( 3532 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2996 -10.2996 -10.2861 -10.2861 -0.2089 -0.2089 -0.2007 -0.2007 -0.1624 -0.1624 -0.1579 -0.1579 -0.1290 -0.1290 -0.1119 -0.1119 1.8252 1.8252 1.8475 1.8475 1.9455 1.9455 1.9512 1.9512 1.9898 1.9898 2.0046 2.0046 2.0378 2.0378 2.2044 2.2044 2.2240 2.2240 5.5034 5.5034 6.3137 6.3137 6.3664 6.3664 9.0765 9.0765 11.7219 11.7219 11.9164 11.9164 12.3540 12.3540 14.7919 14.7919 14.8658 14.8658 14.9810 14.9810 15.4775 15.4775 k = 0.5000 0.5000 0.1471 ( 3532 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2994 -10.2994 -10.2864 -10.2864 -0.2092 -0.2092 -0.2015 -0.2015 -0.1647 -0.1647 -0.1601 -0.1601 -0.1305 -0.1305 -0.1131 -0.1131 1.8185 1.8185 1.8428 1.8428 1.9418 1.9418 1.9478 1.9478 1.9906 1.9906 2.0054 2.0054 2.0380 2.0380 2.2137 2.2137 2.2328 2.2328 5.5414 5.5414 6.3297 6.3297 6.3840 6.3840 9.1124 9.1124 11.6307 11.6307 11.8406 11.8406 12.1706 12.1706 14.8068 14.8068 14.8768 14.8768 15.0681 15.0681 15.5215 15.5215 k = 0.5000 0.5000 0.1618 ( 3520 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2991 -10.2991 -10.2867 -10.2867 -0.2096 -0.2096 -0.2024 -0.2024 -0.1670 -0.1670 -0.1625 -0.1625 -0.1320 -0.1320 -0.1143 -0.1143 1.8118 1.8118 1.8379 1.8379 1.9378 1.9378 1.9442 1.9442 1.9914 1.9914 2.0063 2.0063 2.0386 2.0386 2.2235 2.2235 2.2418 2.2418 5.5830 5.5830 6.3471 6.3471 6.4032 6.4032 9.1515 9.1515 11.5367 11.5367 11.7616 11.7616 11.9883 11.9883 14.8233 14.8233 14.8887 14.8887 15.1536 15.1536 15.5660 15.5660 k = 0.5000 0.5000 0.1765 ( 3520 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2987 -10.2987 -10.2871 -10.2871 -0.2099 -0.2099 -0.2034 -0.2034 -0.1694 -0.1694 -0.1650 -0.1650 -0.1337 -0.1337 -0.1157 -0.1157 1.8051 1.8051 1.8329 1.8329 1.9338 1.9338 1.9405 1.9405 1.9921 1.9921 2.0069 2.0069 2.0396 2.0396 2.2334 2.2334 2.2509 2.2509 5.6281 5.6281 6.3660 6.3660 6.4238 6.4238 9.1936 9.1936 11.4408 11.4408 11.6801 11.6801 11.8076 11.8076 14.8413 14.8413 14.9014 14.9014 15.2373 15.2373 15.6105 15.6105 k = 0.5000 0.5000 0.1912 ( 3520 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2984 -10.2984 -10.2874 -10.2874 -0.2103 -0.2103 -0.2044 -0.2044 -0.1720 -0.1720 -0.1675 -0.1675 -0.1355 -0.1355 -0.1171 -0.1171 1.7984 1.7984 1.8278 1.8278 1.9297 1.9297 1.9366 1.9366 1.9929 1.9929 2.0074 2.0074 2.0408 2.0408 2.2434 2.2434 2.2600 2.2600 5.6766 5.6766 6.3861 6.3861 6.4458 6.4458 9.2383 9.2383 11.3438 11.3438 11.5969 11.5969 11.6289 11.6289 14.8606 14.8606 14.9148 14.9148 15.3188 15.3188 15.6544 15.6544 k = 0.5000 0.5000 0.2059 ( 3516 PWs) bands (ev): -30.7249 -30.7249 -11.7252 -11.7252 -10.2981 -10.2981 -10.2878 -10.2878 -0.2107 -0.2107 -0.2054 -0.2054 -0.1746 -0.1746 -0.1702 -0.1702 -0.1374 -0.1374 -0.1186 -0.1186 1.7919 1.7919 1.8226 1.8226 1.9257 1.9257 1.9326 1.9326 1.9936 1.9936 2.0077 2.0077 2.0424 2.0424 2.2535 2.2535 2.2691 2.2691 5.7282 5.7282 6.4075 6.4075 6.4690 6.4690 9.2855 9.2855 11.2462 11.2462 11.4528 11.4528 11.5128 11.5128 14.8810 14.8810 14.9288 14.9288 15.3977 15.3977 15.6974 15.6974 k = 0.5000 0.5000 0.2206 ( 3508 PWs) bands (ev): -30.7248 -30.7248 -11.7252 -11.7252 -10.2977 -10.2977 -10.2882 -10.2882 -0.2112 -0.2112 -0.2065 -0.2065 -0.1772 -0.1772 -0.1729 -0.1729 -0.1393 -0.1393 -0.1202 -0.1202 1.7856 1.7856 1.8176 1.8176 1.9217 1.9217 1.9286 1.9286 1.9943 1.9943 2.0078 2.0078 2.0443 2.0443 2.2635 2.2635 2.2780 2.2780 5.7827 5.7827 6.4300 6.4300 6.4933 6.4933 9.3349 9.3349 11.1486 11.1486 11.2798 11.2798 11.4284 11.4284 14.9023 14.9023 14.9432 14.9432 15.4736 15.4736 15.7390 15.7390 k = 0.5000 0.5000 0.2353 ( 3508 PWs) bands (ev): -30.7248 -30.7248 -11.7252 -11.7252 -10.2973 -10.2973 -10.2885 -10.2885 -0.2117 -0.2117 -0.2076 -0.2076 -0.1798 -0.1798 -0.1757 -0.1757 -0.1413 -0.1413 -0.1218 -0.1218 1.7795 1.7795 1.8125 1.8125 1.9178 1.9178 1.9246 1.9246 1.9950 1.9950 2.0078 2.0078 2.0464 2.0464 2.2734 2.2734 2.2867 2.2867 5.8401 5.8401 6.4536 6.4536 6.5185 6.5185 9.3861 9.3861 11.0498 11.0498 11.1118 11.1118 11.3445 11.3445 14.9243 14.9243 14.9580 14.9580 15.5462 15.5462 15.7790 15.7790 k = 0.5000 0.5000 0.2500 ( 3520 PWs) bands (ev): -30.7248 -30.7248 -11.7252 -11.7252 -10.2970 -10.2970 -10.2889 -10.2889 -0.2122 -0.2122 -0.2087 -0.2087 -0.1824 -0.1824 -0.1784 -0.1784 -0.1433 -0.1433 -0.1234 -0.1234 1.7737 1.7737 1.8076 1.8076 1.9141 1.9141 1.9206 1.9206 1.9956 1.9956 2.0076 2.0076 2.0486 2.0486 2.2830 2.2830 2.2952 2.2952 5.9001 5.9001 6.4779 6.4779 6.5445 6.5445 9.4388 9.4388 10.9294 10.9294 10.9702 10.9702 11.2616 11.2616 14.9470 14.9470 14.9729 14.9729 15.6153 15.6153 15.8171 15.8171 k = 0.5000 0.5000 0.2647 ( 3504 PWs) bands (ev): -30.7248 -30.7248 -11.7252 -11.7252 -10.2966 -10.2966 -10.2893 -10.2893 -0.2128 -0.2128 -0.2099 -0.2099 -0.1850 -0.1850 -0.1811 -0.1811 -0.1453 -0.1453 -0.1250 -0.1250 1.7681 1.7681 1.8028 1.8028 1.9105 1.9105 1.9167 1.9167 1.9963 1.9963 2.0073 2.0073 2.0509 2.0509 2.2925 2.2925 2.3035 2.3035 5.9624 5.9624 6.5030 6.5030 6.5711 6.5711 9.4925 9.4925 10.7718 10.7718 10.8713 10.8713 11.1803 11.1803 14.9700 14.9700 14.9879 14.9879 15.6807 15.6807 15.8531 15.8531 k = 0.5000 0.5000 0.2794 ( 3504 PWs) bands (ev): -30.7248 -30.7248 -11.7252 -11.7252 -10.2962 -10.2962 -10.2897 -10.2897 -0.2134 -0.2134 -0.2110 -0.2110 -0.1875 -0.1875 -0.1838 -0.1838 -0.1473 -0.1473 -0.1267 -0.1267 1.7628 1.7628 1.7982 1.7982 1.9071 1.9071 1.9129 1.9129 1.9969 1.9969 2.0070 2.0070 2.0533 2.0533 2.3015 2.3015 2.3114 2.3114 6.0267 6.0267 6.5287 6.5287 6.5980 6.5980 9.5468 9.5468 10.6130 10.6130 10.7800 10.7800 11.1014 11.1014 14.9931 14.9931 15.0027 15.0027 15.7422 15.7422 15.8867 15.8867 k = 0.5000 0.5000 0.2941 ( 3504 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2959 -10.2959 -10.2901 -10.2901 -0.2140 -0.2140 -0.2121 -0.2121 -0.1899 -0.1899 -0.1864 -0.1864 -0.1493 -0.1493 -0.1283 -0.1283 1.7578 1.7578 1.7938 1.7938 1.9039 1.9039 1.9092 1.9092 1.9975 1.9975 2.0065 2.0065 2.0556 2.0556 2.3102 2.3102 2.3190 2.3190 6.0928 6.0928 6.5547 6.5547 6.6252 6.6252 9.6011 9.6011 10.4577 10.4577 10.6924 10.6924 11.0253 11.0253 15.0162 15.0162 15.0172 15.0172 15.7996 15.7996 15.9174 15.9174 k = 0.5000 0.5000 0.3088 ( 3504 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2956 -10.2956 -10.2904 -10.2904 -0.2146 -0.2146 -0.2133 -0.2133 -0.1921 -0.1921 -0.1889 -0.1889 -0.1512 -0.1512 -0.1299 -0.1299 1.7531 1.7531 1.7896 1.7896 1.9008 1.9008 1.9056 1.9056 1.9980 1.9980 2.0061 2.0061 2.0579 2.0579 2.3185 2.3185 2.3261 2.3261 6.1601 6.1601 6.5810 6.5810 6.6522 6.6522 9.6548 9.6548 10.3069 10.3069 10.6084 10.6084 10.9527 10.9527 15.0311 15.0311 15.0390 15.0390 15.8528 15.8528 15.9423 15.9423 k = 0.5000 0.5000 0.3235 ( 3504 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2952 -10.2952 -10.2908 -10.2908 -0.2153 -0.2153 -0.2143 -0.2143 -0.1943 -0.1943 -0.1912 -0.1912 -0.1531 -0.1531 -0.1314 -0.1314 1.7488 1.7488 1.7856 1.7856 1.8980 1.8980 1.9022 1.9022 1.9986 1.9986 2.0056 2.0056 2.0602 2.0602 2.3263 2.3263 2.3329 2.3329 6.2282 6.2282 6.6073 6.6073 6.6790 6.6790 9.7073 9.7073 10.1610 10.1610 10.5283 10.5283 10.8842 10.8842 15.0443 15.0443 15.0613 15.0613 15.9017 15.9017 15.9185 15.9185 k = 0.5000 0.5000 0.3382 ( 3504 PWs) bands (ev): -30.7247 -30.7247 -11.7252 -11.7252 -10.2949 -10.2949 -10.2911 -10.2911 -0.2161 -0.2161 -0.2154 -0.2154 -0.1963 -0.1963 -0.1935 -0.1935 -0.1549 -0.1549 -0.1328 -0.1328 1.7448 1.7448 1.7819 1.7819 1.8954 1.8954 1.8991 1.8991 1.9991 1.9991 2.0051 2.0051 2.0623 2.0623 2.3336 2.3336 2.3392 2.3392 6.2965 6.2965 6.6334 6.6334 6.7051 6.7051 9.7577 9.7577 10.0208 10.0208 10.4525 10.4525 10.8204 10.8204 15.0563 15.0563 15.0829 15.0829 15.8035 15.8035 15.9463 15.9463 k = 0.5000 0.5000 0.3529 ( 3512 PWs) bands (ev): -30.7247 -30.7247 -11.7253 -11.7253 -10.2946 -10.2946 -10.2914 -10.2914 -0.2168 -0.2168 -0.2164 -0.2164 -0.1981 -0.1981 -0.1956 -0.1956 -0.1566 -0.1566 -0.1342 -0.1342 1.7411 1.7411 1.7785 1.7785 1.8929 1.8929 1.8961 1.8961 1.9995 1.9995 2.0046 2.0046 2.0643 2.0643 2.3404 2.3404 2.3451 2.3451 6.3643 6.3643 6.6591 6.6591 6.7304 6.7304 9.8054 9.8054 9.8868 9.8868 10.3815 10.3815 10.7621 10.7621 15.0667 15.0667 15.1036 15.1036 15.6859 15.6859 15.9864 15.9864 k = 0.5000 0.5000 0.3676 ( 3516 PWs) bands (ev): -30.7247 -30.7247 -11.7253 -11.7253 -10.2943 -10.2943 -10.2917 -10.2917 -0.2176 -0.2176 -0.2174 -0.2174 -0.1997 -0.1997 -0.1976 -0.1976 -0.1581 -0.1581 -0.1355 -0.1355 1.7378 1.7378 1.7754 1.7754 1.8907 1.8907 1.8933 1.8933 1.9999 1.9999 2.0041 2.0041 2.0662 2.0662 2.3466 2.3466 2.3504 2.3504 6.4307 6.4307 6.6845 6.6845 6.7546 6.7546 9.7597 9.7597 9.8494 9.8494 10.3155 10.3155 10.7099 10.7099 15.0749 15.0749 15.1231 15.1231 15.5767 15.5767 16.0219 16.0219 k = 0.5000 0.5000 0.3824 ( 3516 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2941 -10.2941 -10.2920 -10.2920 -0.2183 -0.2183 -0.2183 -0.2183 -0.2011 -0.2011 -0.1993 -0.1993 -0.1596 -0.1596 -0.1367 -0.1367 1.7348 1.7348 1.7725 1.7725 1.8888 1.8888 1.8909 1.8909 2.0003 2.0003 2.0037 2.0037 2.0679 2.0679 2.3523 2.3523 2.3553 2.3553 6.4945 6.4945 6.7094 6.7094 6.7772 6.7772 9.6406 9.6406 9.8889 9.8889 10.2551 10.2551 10.6643 10.6643 15.0800 15.0800 15.1413 15.1413 15.4785 15.4785 16.0527 16.0527 k = 0.5000 0.5000 0.3971 ( 3516 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2938 -10.2938 -10.2922 -10.2922 -0.2191 -0.2191 -0.2191 -0.2191 -0.2024 -0.2024 -0.2009 -0.2009 -0.1609 -0.1609 -0.1378 -0.1378 1.7322 1.7322 1.7700 1.7700 1.8870 1.8870 1.8887 1.8887 2.0007 2.0007 2.0033 2.0033 2.0695 2.0695 2.3573 2.3573 2.3596 2.3596 6.5542 6.5542 6.7340 6.7340 6.7981 6.7981 9.5303 9.5303 9.9232 9.9232 10.2006 10.2006 10.6258 10.6258 15.0804 15.0804 15.1578 15.1578 15.3937 15.3937 16.0783 16.0783 k = 0.5000 0.5000 0.4118 ( 3508 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2936 -10.2936 -10.2924 -10.2924 -0.2198 -0.2198 -0.2197 -0.2197 -0.2034 -0.2034 -0.2023 -0.2023 -0.1620 -0.1620 -0.1387 -0.1387 1.7299 1.7299 1.7678 1.7678 1.8855 1.8855 1.8867 1.8867 2.0010 2.0010 2.0030 2.0030 2.0709 2.0709 2.3617 2.3617 2.3634 2.3634 6.6080 6.6080 6.7587 6.7587 6.8170 6.8170 9.4301 9.4301 9.9515 9.9515 10.1524 10.1524 10.5947 10.5947 15.0740 15.0740 15.1726 15.1726 15.3254 15.3254 16.0986 16.0986 k = 0.5000 0.5000 0.4265 ( 3504 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2935 -10.2935 -10.2926 -10.2926 -0.2205 -0.2205 -0.2204 -0.2204 -0.2043 -0.2043 -0.2035 -0.2035 -0.1630 -0.1630 -0.1396 -0.1396 1.7280 1.7280 1.7660 1.7660 1.8842 1.8842 1.8851 1.8851 2.0013 2.0013 2.0026 2.0026 2.0720 2.0720 2.3655 2.3655 2.3667 2.3667 6.6537 6.6537 6.7839 6.7839 6.8335 6.8335 9.3414 9.3414 9.9739 9.9739 10.1109 10.1109 10.5708 10.5708 15.0587 15.0587 15.1855 15.1855 15.2760 15.2760 16.1111 16.1111 k = 0.5000 0.5000 0.4412 ( 3504 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2933 -10.2933 -10.2928 -10.2928 -0.2210 -0.2210 -0.2209 -0.2209 -0.2050 -0.2050 -0.2044 -0.2044 -0.1638 -0.1638 -0.1402 -0.1402 1.7264 1.7264 1.7644 1.7644 1.8831 1.8831 1.8837 1.8837 2.0015 2.0015 2.0024 2.0024 2.0730 2.0730 2.3685 2.3685 2.3693 2.3693 6.6897 6.6897 6.8096 6.8096 6.8474 6.8474 9.2656 9.2656 9.9904 9.9904 10.0765 10.0765 10.5536 10.5536 15.0355 15.0355 15.1962 15.1962 15.2454 15.2454 16.1207 16.1207 k = 0.5000 0.5000 0.4559 ( 3520 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2932 -10.2932 -10.2929 -10.2929 -0.2214 -0.2214 -0.2214 -0.2214 -0.2055 -0.2055 -0.2052 -0.2052 -0.1644 -0.1644 -0.1408 -0.1408 1.7252 1.7252 1.7632 1.7632 1.8823 1.8823 1.8826 1.8826 2.0017 2.0017 2.0022 2.0022 2.0738 2.0738 2.3709 2.3709 2.3714 2.3714 6.7156 6.7156 6.8341 6.8341 6.8585 6.8585 9.2045 9.2045 10.0018 10.0018 10.0494 10.0494 10.5421 10.5421 15.0096 15.0096 15.2047 15.2047 15.2288 15.2288 16.1282 16.1282 k = 0.5000 0.5000 0.4706 ( 3528 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2218 -0.2218 -0.2217 -0.2217 -0.2059 -0.2059 -0.2058 -0.2058 -0.1649 -0.1649 -0.1412 -0.1412 1.7243 1.7243 1.7624 1.7624 1.8817 1.8817 1.8818 1.8818 2.0018 2.0018 2.0020 2.0020 2.0743 2.0743 2.3727 2.3727 2.3728 2.3728 6.7326 6.7326 6.8547 6.8547 6.8665 6.8665 9.1594 9.1594 10.0090 10.0090 10.0298 10.0298 10.5350 10.5350 14.9871 14.9871 15.2108 15.2108 15.2205 15.2205 16.1335 16.1335 k = 0.5000 0.5000 0.4853 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2930 -10.2930 -0.2220 -0.2220 -0.2220 -0.2220 -0.2061 -0.2061 -0.2061 -0.2061 -0.1652 -0.1652 -0.1415 -0.1415 1.7238 1.7238 1.7619 1.7619 1.8813 1.8813 1.8814 1.8814 2.0019 2.0019 2.0019 2.0019 2.0746 2.0746 2.3737 2.3737 2.3737 2.3737 6.7422 6.7422 6.8683 6.8683 6.8714 6.8714 9.1318 9.1318 10.0129 10.0129 10.0180 10.0180 10.5314 10.5314 14.9722 14.9722 15.2145 15.2145 15.2168 15.2168 16.1367 16.1367 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -30.7246 -30.7246 -11.7253 -11.7253 -10.2931 -10.2931 -10.2931 -10.2931 -0.2220 -0.2220 -0.2220 -0.2220 -0.2062 -0.2062 -0.2062 -0.2062 -0.1653 -0.1653 -0.1415 -0.1415 1.7236 1.7236 1.7617 1.7617 1.8812 1.8812 1.8812 1.8812 2.0019 2.0019 2.0019 2.0019 2.0747 2.0747 2.3740 2.3740 2.3740 2.3740 6.7452 6.7452 6.8731 6.8731 6.8731 6.8731 9.1225 9.1225 10.0141 10.0141 10.0141 10.0141 10.5302 10.5302 14.9670 14.9670 15.2158 15.2158 15.2158 15.2158 16.1378 16.1378 Writing output data file YTl3.save init_run : 0.30s CPU 0.68s WALL ( 1 calls) electrons : 118.27s CPU 121.91s 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 : 118.26s CPU 121.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 263 calls) cegterg : 106.27s CPU 107.82s WALL ( 287 calls) Called by sum_band: Called by *egterg: h_psi : 61.32s CPU 62.38s WALL ( 5100 calls) s_psi : 4.02s CPU 4.08s WALL ( 5100 calls) g_psi : 0.15s CPU 0.16s WALL ( 4550 calls) cdiaghg : 38.60s CPU 39.06s WALL ( 4813 calls) cegterg:over : 4.43s CPU 4.43s WALL ( 4550 calls) cegterg:upda : 3.24s CPU 3.40s WALL ( 4550 calls) cegterg:last : 1.97s CPU 2.05s WALL ( 813 calls) cdiaghg:chol : 2.21s CPU 2.23s WALL ( 4813 calls) cdiaghg:inve : 1.53s CPU 1.45s WALL ( 4813 calls) cdiaghg:para : 2.55s CPU 2.49s WALL ( 9626 calls) Called by h_psi: h_psi:vloc : 52.44s CPU 53.50s WALL ( 5100 calls) h_psi:vnl : 8.72s CPU 8.72s WALL ( 5100 calls) add_vuspsi : 4.65s CPU 4.62s WALL ( 5100 calls) General routines calbec : 4.06s CPU 4.08s WALL ( 5100 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.41s CPU 50.44s WALL ( 642448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.16s WALL ( 526 calls) Parallel routines fft_scatter : 18.68s CPU 18.98s WALL ( 642471 calls) PWSCF : 2m12.31s CPU 3m 4.45s WALL This run was terminated on: 21:20:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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