Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YRh.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 33 20 6 871 402 68 Max 34 21 7 876 417 71 Sum 1201 725 221 31439 14771 2517 bravais-lattice index = 14 lattice parameter (alat) = 6.4421 a.u. unit-cell volume = 267.3484 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.442076 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 Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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 Rh 17.00 102.90550 Rh( 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= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0027855 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0027855 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0027855 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0027855 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0027855 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0027855 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0027855 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0027855 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0027855 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0027855 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0027855 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0027855 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0027855 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0027855 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0027855 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0027855 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0027855 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0027855 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0027855 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0027855 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0027855 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0027855 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0027855 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027855 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0027855 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0027855 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0027855 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0027855 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027855 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027855 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0027855 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0027855 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0027855 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0027855 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0027855 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027855 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0027855 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0027855 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0027855 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027855 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0027855 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027855 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0027855 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027855 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0027855 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0027855 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0027855 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027855 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0027855 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0027855 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027855 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027855 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0027855 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027855 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0027855 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0027855 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0027855 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0027855 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0027855 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027855 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0027855 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027855 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0027855 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027855 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0027855 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027855 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0027855 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027855 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0027855 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0027855 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0027855 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027855 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027855 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0027855 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0027855 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027855 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0027855 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027855 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0027855 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027855 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0027855 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0027855 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 165) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0027855 k( 166) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0027855 k( 167) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0027855 k( 168) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0027855 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027855 k( 170) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0027855 k( 171) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0027855 k( 172) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0027855 k( 173) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0027855 k( 174) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 175) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0027855 k( 176) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0027855 k( 177) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0027855 k( 178) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0027855 k( 179) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027855 k( 180) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027855 k( 181) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0027855 k( 182) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0027855 k( 183) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0027855 k( 184) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 185) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0027855 k( 186) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0027855 k( 187) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0027855 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0027855 k( 189) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027855 k( 190) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0027855 k( 191) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0027855 k( 192) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0027855 k( 193) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0027855 k( 194) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 195) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0027855 k( 196) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027855 k( 197) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0027855 k( 198) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0027855 k( 199) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027855 k( 200) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0027855 k( 201) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0027855 k( 202) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0027855 k( 203) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0027855 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 205) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0027855 k( 206) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0027855 k( 207) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0027855 k( 208) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0027855 k( 209) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027855 k( 210) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0027855 k( 211) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0027855 k( 212) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027855 k( 213) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0027855 k( 214) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 215) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0027855 k( 216) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0027855 k( 217) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0027855 k( 218) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0027855 k( 219) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027855 k( 220) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0027855 k( 221) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0027855 k( 222) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0027855 k( 223) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0027855 k( 224) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 225) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0027855 k( 226) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0027855 k( 227) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0027855 k( 228) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027855 k( 229) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027855 k( 230) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0027855 k( 231) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0027855 k( 232) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0027855 k( 233) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0027855 k( 234) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 235) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0027855 k( 236) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0027855 k( 237) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0027855 k( 238) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0027855 k( 239) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027855 k( 240) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0027855 k( 241) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0027855 k( 242) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0027855 k( 243) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0027855 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027855 k( 247) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027855 k( 248) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027855 k( 249) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027855 k( 250) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027855 k( 251) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0027855 k( 252) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027855 k( 253) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027855 k( 254) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027855 k( 255) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027855 k( 256) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027855 k( 257) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027855 k( 258) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027855 k( 259) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027855 k( 260) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027855 k( 261) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027855 k( 262) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027855 k( 263) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027855 k( 264) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027855 k( 265) = ( 0.3484849 0.5000000 0.3484848), wk = 0.0027855 k( 266) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027855 k( 267) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027855 k( 268) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027855 k( 269) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027855 k( 270) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027855 k( 271) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027855 k( 272) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027855 k( 273) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027855 k( 274) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027855 k( 275) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027855 k( 276) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027855 k( 277) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027855 k( 278) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027855 k( 279) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027855 k( 280) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027855 k( 281) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027855 k( 282) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027855 k( 283) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027855 k( 284) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027855 k( 285) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027855 k( 286) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027855 k( 287) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027855 k( 288) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027855 k( 289) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027855 k( 290) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027855 k( 291) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027855 k( 292) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027855 k( 293) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027855 k( 294) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027855 k( 295) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027855 k( 296) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027855 k( 297) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027855 k( 298) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027855 k( 299) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027855 k( 300) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027855 k( 301) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027855 k( 302) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027855 k( 303) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027855 k( 304) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027855 k( 305) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0027855 k( 306) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027855 k( 307) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027855 k( 308) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027855 k( 309) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027855 k( 310) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 312) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027855 k( 314) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027855 k( 315) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027855 k( 316) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027855 k( 317) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027855 k( 318) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027855 k( 319) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027855 k( 320) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027855 k( 321) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027855 k( 322) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027855 k( 323) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027855 k( 324) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027855 k( 325) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027855 k( 326) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027855 k( 327) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027855 k( 328) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027855 k( 329) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027855 k( 330) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.2446808), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1170213 0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.1808511 0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.2659574 0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3404255 0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.3723404 0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.3936170 0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4255319 0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0027855 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0027855 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0027855 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0027855 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0027855 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0027855 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0027855 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0027855 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0027855 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0027855 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0027855 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0027855 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0027855 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0027855 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0027855 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0027855 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0027855 k( 65) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0027855 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0027855 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0027855 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0027855 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0027855 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0027855 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0027855 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0027855 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0027855 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0027855 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0027855 k( 76) = ( 0.2872340 0.5000000 0.0000000), wk = 0.0027855 k( 77) = ( 0.2978723 0.5000000 0.0000000), wk = 0.0027855 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0027855 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0027855 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0027855 k( 83) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0027855 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0027855 k( 85) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0027855 k( 86) = ( 0.3936170 0.5000000 0.0000000), wk = 0.0027855 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0027855 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0027855 k( 90) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0027855 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0027855 k( 92) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0027855 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0027855 k( 94) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0027855 k( 95) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0027855 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0027855 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0027855 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0027855 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0027855 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027855 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0027855 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0027855 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0027855 k( 107) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0027855 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027855 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027855 k( 110) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0027855 k( 111) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0027855 k( 112) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0027855 k( 113) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0027855 k( 114) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0027855 k( 115) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027855 k( 116) = ( 0.3560606 0.3560606 0.0000000), wk = 0.0027855 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0027855 k( 118) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0027855 k( 119) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027855 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0027855 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027855 k( 122) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0027855 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027855 k( 124) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0027855 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0027855 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0027855 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027855 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0027855 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0027855 k( 130) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027855 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027855 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0027855 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027855 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0027855 k( 135) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027855 k( 136) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0027855 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0027855 k( 138) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0027855 k( 139) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027855 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0027855 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027855 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0027855 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0027855 k( 144) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0027855 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027855 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0027855 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027855 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0027855 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0027855 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0027855 k( 151) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027855 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027855 k( 153) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0027855 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0027855 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027855 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0027855 k( 157) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027855 k( 158) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0027855 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027855 k( 160) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0027855 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0027855 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 165) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0027855 k( 166) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0027855 k( 167) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0027855 k( 168) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0027855 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027855 k( 170) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0027855 k( 171) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0027855 k( 172) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0027855 k( 173) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0027855 k( 174) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 175) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0027855 k( 176) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0027855 k( 177) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0027855 k( 178) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0027855 k( 179) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027855 k( 180) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027855 k( 181) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0027855 k( 182) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0027855 k( 183) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0027855 k( 184) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 185) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0027855 k( 186) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0027855 k( 187) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0027855 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0027855 k( 189) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027855 k( 190) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0027855 k( 191) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0027855 k( 192) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0027855 k( 193) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0027855 k( 194) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 195) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0027855 k( 196) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027855 k( 197) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0027855 k( 198) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0027855 k( 199) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027855 k( 200) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0027855 k( 201) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0027855 k( 202) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0027855 k( 203) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0027855 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 205) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0027855 k( 206) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0027855 k( 207) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0027855 k( 208) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0027855 k( 209) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027855 k( 210) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0027855 k( 211) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0027855 k( 212) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027855 k( 213) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0027855 k( 214) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 215) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0027855 k( 216) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0027855 k( 217) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0027855 k( 218) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0027855 k( 219) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027855 k( 220) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0027855 k( 221) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0027855 k( 222) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0027855 k( 223) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0027855 k( 224) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 225) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0027855 k( 226) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0027855 k( 227) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0027855 k( 228) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027855 k( 229) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027855 k( 230) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0027855 k( 231) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0027855 k( 232) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0027855 k( 233) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0027855 k( 234) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 235) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0027855 k( 236) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0027855 k( 237) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0027855 k( 238) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0027855 k( 239) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027855 k( 240) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0027855 k( 241) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0027855 k( 242) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0027855 k( 243) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0027855 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027855 k( 247) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027855 k( 248) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027855 k( 249) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027855 k( 250) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027855 k( 251) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0027855 k( 252) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027855 k( 253) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027855 k( 254) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027855 k( 255) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027855 k( 256) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027855 k( 257) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027855 k( 258) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027855 k( 259) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027855 k( 260) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027855 k( 261) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027855 k( 262) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027855 k( 263) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027855 k( 264) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027855 k( 265) = ( 0.3484849 0.5000000 0.3484849), wk = 0.0027855 k( 266) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027855 k( 267) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027855 k( 268) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027855 k( 269) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027855 k( 270) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027855 k( 271) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027855 k( 272) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027855 k( 273) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027855 k( 274) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027855 k( 275) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027855 k( 276) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027855 k( 277) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027855 k( 278) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027855 k( 279) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027855 k( 280) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027855 k( 281) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027855 k( 282) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027855 k( 283) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027855 k( 284) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027855 k( 285) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027855 k( 286) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027855 k( 287) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027855 k( 288) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027855 k( 289) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027855 k( 290) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027855 k( 291) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027855 k( 292) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027855 k( 293) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027855 k( 294) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027855 k( 295) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027855 k( 296) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027855 k( 297) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027855 k( 298) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027855 k( 299) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027855 k( 300) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027855 k( 301) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027855 k( 302) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027855 k( 303) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027855 k( 304) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027855 k( 305) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0027855 k( 306) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027855 k( 307) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027855 k( 308) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027855 k( 309) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027855 k( 310) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 312) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027855 k( 314) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027855 k( 315) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027855 k( 316) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027855 k( 317) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027855 k( 318) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027855 k( 319) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027855 k( 320) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027855 k( 321) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027855 k( 322) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027855 k( 323) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027855 k( 324) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027855 k( 325) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027855 k( 326) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027855 k( 327) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027855 k( 328) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027855 k( 329) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027855 k( 330) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 Dense grid: 31439 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 14771 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 106, 36) NL pseudopotentials 0.05 Mb ( 53, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 873) G-vector shells 0.00 Mb ( 224) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 106, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./YRh.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.0 secs Computing kpt #: 23 total cpu time spent up to now is 5.1 secs Computing kpt #: 24 total cpu time spent up to now is 5.3 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.1 secs Computing kpt #: 32 total cpu time spent up to now is 6.2 secs Computing kpt #: 33 total cpu time spent up to now is 6.3 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.6 secs Computing kpt #: 37 total cpu time spent up to now is 6.7 secs Computing kpt #: 38 total cpu time spent up to now is 6.8 secs Computing kpt #: 39 total cpu time spent up to now is 6.9 secs Computing kpt #: 40 total cpu time spent up to now is 7.0 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.4 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.6 secs Computing kpt #: 46 total cpu time spent up to now is 7.7 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 48 total cpu time spent up to now is 7.9 secs Computing kpt #: 49 total cpu time spent up to now is 8.0 secs Computing kpt #: 50 total cpu time spent up to now is 8.1 secs Computing kpt #: 51 total cpu time spent up to now is 8.2 secs Computing kpt #: 52 total cpu time spent up to now is 8.3 secs Computing kpt #: 53 total cpu time spent up to now is 8.4 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 8.9 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.6 secs Computing kpt #: 65 total cpu time spent up to now is 9.7 secs Computing kpt #: 66 total cpu time spent up to now is 9.8 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.2 secs Computing kpt #: 71 total cpu time spent up to now is 10.3 secs Computing kpt #: 72 total cpu time spent up to now is 10.4 secs Computing kpt #: 73 total cpu time spent up to now is 10.5 secs Computing kpt #: 74 total cpu time spent up to now is 10.7 secs Computing kpt #: 75 total cpu time spent up to now is 10.8 secs Computing kpt #: 76 total cpu time spent up to now is 10.9 secs Computing kpt #: 77 total cpu time spent up to now is 11.0 secs Computing kpt #: 78 total cpu time spent up to now is 11.2 secs Computing kpt #: 79 total cpu time spent up to now is 11.3 secs Computing kpt #: 80 total cpu time spent up to now is 11.4 secs Computing kpt #: 81 total cpu time spent up to now is 11.5 secs Computing kpt #: 82 total cpu time spent up to now is 11.7 secs Computing kpt #: 83 total cpu time spent up to now is 11.8 secs Computing kpt #: 84 total cpu time spent up to now is 11.9 secs Computing kpt #: 85 total cpu time spent up to now is 12.1 secs Computing kpt #: 86 total cpu time spent up to now is 12.2 secs Computing kpt #: 87 total cpu time spent up to now is 12.3 secs Computing kpt #: 88 total cpu time spent up to now is 12.5 secs Computing kpt #: 89 total cpu time spent up to now is 12.6 secs Computing kpt #: 90 total cpu time spent up to now is 12.8 secs Computing kpt #: 91 total cpu time spent up to now is 12.9 secs Computing kpt #: 92 total cpu time spent up to now is 13.1 secs Computing kpt #: 93 total cpu time spent up to now is 13.2 secs Computing kpt #: 94 total cpu time spent up to now is 13.4 secs Computing kpt #: 95 total cpu time spent up to now is 13.6 secs Computing kpt #: 96 total cpu time spent up to now is 13.8 secs Computing kpt #: 97 total cpu time spent up to now is 14.0 secs Computing kpt #: 98 total cpu time spent up to now is 14.2 secs Computing kpt #: 99 total cpu time spent up to now is 14.4 secs Computing kpt #: 100 total cpu time spent up to now is 14.6 secs Computing kpt #: 101 total cpu time spent up to now is 14.7 secs Computing kpt #: 102 total cpu time spent up to now is 14.9 secs Computing kpt #: 103 total cpu time spent up to now is 15.0 secs Computing kpt #: 104 total cpu time spent up to now is 15.2 secs Computing kpt #: 105 total cpu time spent up to now is 15.3 secs Computing kpt #: 106 total cpu time spent up to now is 15.4 secs Computing kpt #: 107 total cpu time spent up to now is 15.6 secs Computing kpt #: 108 total cpu time spent up to now is 15.7 secs Computing kpt #: 109 total cpu time spent up to now is 15.8 secs Computing kpt #: 110 total cpu time spent up to now is 15.9 secs Computing kpt #: 111 total cpu time spent up to now is 16.1 secs Computing kpt #: 112 total cpu time spent up to now is 16.2 secs Computing kpt #: 113 total cpu time spent up to now is 16.3 secs Computing kpt #: 114 total cpu time spent up to now is 16.4 secs Computing kpt #: 115 total cpu time spent up to now is 16.6 secs Computing kpt #: 116 total cpu time spent up to now is 16.7 secs Computing kpt #: 117 total cpu time spent up to now is 16.8 secs Computing kpt #: 118 total cpu time spent up to now is 16.9 secs Computing kpt #: 119 total cpu time spent up to now is 17.0 secs Computing kpt #: 120 total cpu time spent up to now is 17.1 secs Computing kpt #: 121 total cpu time spent up to now is 17.3 secs Computing kpt #: 122 total cpu time spent up to now is 17.4 secs Computing kpt #: 123 total cpu time spent up to now is 17.5 secs Computing kpt #: 124 total cpu time spent up to now is 17.6 secs Computing kpt #: 125 total cpu time spent up to now is 17.7 secs Computing kpt #: 126 total cpu time spent up to now is 17.8 secs Computing kpt #: 127 total cpu time spent up to now is 17.9 secs Computing kpt #: 128 total cpu time spent up to now is 18.1 secs Computing kpt #: 129 total cpu time spent up to now is 18.2 secs Computing kpt #: 130 total cpu time spent up to now is 18.3 secs Computing kpt #: 131 total cpu time spent up to now is 18.4 secs Computing kpt #: 132 total cpu time spent up to now is 18.5 secs Computing kpt #: 133 total cpu time spent up to now is 18.6 secs Computing kpt #: 134 total cpu time spent up to now is 18.7 secs Computing kpt #: 135 total cpu time spent up to now is 18.8 secs Computing kpt #: 136 total cpu time spent up to now is 18.9 secs Computing kpt #: 137 total cpu time spent up to now is 19.0 secs Computing kpt #: 138 total cpu time spent up to now is 19.2 secs Computing kpt #: 139 total cpu time spent up to now is 19.3 secs Computing kpt #: 140 total cpu time spent up to now is 19.4 secs Computing kpt #: 141 total cpu time spent up to now is 19.5 secs Computing kpt #: 142 total cpu time spent up to now is 19.6 secs Computing kpt #: 143 total cpu time spent up to now is 19.7 secs Computing kpt #: 144 total cpu time spent up to now is 19.8 secs Computing kpt #: 145 total cpu time spent up to now is 20.0 secs Computing kpt #: 146 total cpu time spent up to now is 20.1 secs Computing kpt #: 147 total cpu time spent up to now is 20.2 secs Computing kpt #: 148 total cpu time spent up to now is 20.3 secs Computing kpt #: 149 total cpu time spent up to now is 20.4 secs Computing kpt #: 150 total cpu time spent up to now is 20.6 secs Computing kpt #: 151 total cpu time spent up to now is 20.7 secs Computing kpt #: 152 total cpu time spent up to now is 20.8 secs Computing kpt #: 153 total cpu time spent up to now is 21.0 secs Computing kpt #: 154 total cpu time spent up to now is 21.1 secs Computing kpt #: 155 total cpu time spent up to now is 21.2 secs Computing kpt #: 156 total cpu time spent up to now is 21.4 secs Computing kpt #: 157 total cpu time spent up to now is 21.5 secs Computing kpt #: 158 total cpu time spent up to now is 21.6 secs Computing kpt #: 159 total cpu time spent up to now is 21.8 secs Computing kpt #: 160 total cpu time spent up to now is 21.9 secs Computing kpt #: 161 total cpu time spent up to now is 22.1 secs Computing kpt #: 162 total cpu time spent up to now is 22.2 secs Computing kpt #: 163 total cpu time spent up to now is 22.4 secs Computing kpt #: 164 total cpu time spent up to now is 22.5 secs Computing kpt #: 165 total cpu time spent up to now is 22.6 secs Computing kpt #: 166 total cpu time spent up to now is 22.8 secs Computing kpt #: 167 total cpu time spent up to now is 22.9 secs Computing kpt #: 168 total cpu time spent up to now is 23.1 secs Computing kpt #: 169 total cpu time spent up to now is 23.2 secs Computing kpt #: 170 total cpu time spent up to now is 23.4 secs Computing kpt #: 171 total cpu time spent up to now is 23.5 secs Computing kpt #: 172 total cpu time spent up to now is 23.7 secs Computing kpt #: 173 total cpu time spent up to now is 23.8 secs Computing kpt #: 174 total cpu time spent up to now is 23.9 secs Computing kpt #: 175 total cpu time spent up to now is 24.1 secs Computing kpt #: 176 total cpu time spent up to now is 24.3 secs Computing kpt #: 177 total cpu time spent up to now is 24.4 secs Computing kpt #: 178 total cpu time spent up to now is 24.5 secs Computing kpt #: 179 total cpu time spent up to now is 24.7 secs Computing kpt #: 180 total cpu time spent up to now is 24.9 secs Computing kpt #: 181 total cpu time spent up to now is 25.0 secs Computing kpt #: 182 total cpu time spent up to now is 25.2 secs Computing kpt #: 183 total cpu time spent up to now is 25.3 secs Computing kpt #: 184 total cpu time spent up to now is 25.5 secs Computing kpt #: 185 total cpu time spent up to now is 25.6 secs Computing kpt #: 186 total cpu time spent up to now is 25.8 secs Computing kpt #: 187 total cpu time spent up to now is 25.9 secs Computing kpt #: 188 total cpu time spent up to now is 26.1 secs Computing kpt #: 189 total cpu time spent up to now is 26.2 secs Computing kpt #: 190 total cpu time spent up to now is 26.4 secs Computing kpt #: 191 total cpu time spent up to now is 26.5 secs Computing kpt #: 192 total cpu time spent up to now is 26.7 secs Computing kpt #: 193 total cpu time spent up to now is 26.8 secs Computing kpt #: 194 total cpu time spent up to now is 27.0 secs Computing kpt #: 195 total cpu time spent up to now is 27.1 secs Computing kpt #: 196 total cpu time spent up to now is 27.3 secs Computing kpt #: 197 total cpu time spent up to now is 27.4 secs Computing kpt #: 198 total cpu time spent up to now is 27.6 secs Computing kpt #: 199 total cpu time spent up to now is 27.7 secs Computing kpt #: 200 total cpu time spent up to now is 27.9 secs Computing kpt #: 201 total cpu time spent up to now is 28.0 secs Computing kpt #: 202 total cpu time spent up to now is 28.2 secs Computing kpt #: 203 total cpu time spent up to now is 28.4 secs Computing kpt #: 204 total cpu time spent up to now is 28.5 secs Computing kpt #: 205 total cpu time spent up to now is 28.6 secs Computing kpt #: 206 total cpu time spent up to now is 28.8 secs Computing kpt #: 207 total cpu time spent up to now is 28.9 secs Computing kpt #: 208 total cpu time spent up to now is 29.0 secs Computing kpt #: 209 total cpu time spent up to now is 29.2 secs Computing kpt #: 210 total cpu time spent up to now is 29.3 secs Computing kpt #: 211 total cpu time spent up to now is 29.4 secs Computing kpt #: 212 total cpu time spent up to now is 29.5 secs Computing kpt #: 213 total cpu time spent up to now is 29.7 secs Computing kpt #: 214 total cpu time spent up to now is 29.8 secs Computing kpt #: 215 total cpu time spent up to now is 29.9 secs Computing kpt #: 216 total cpu time spent up to now is 30.0 secs Computing kpt #: 217 total cpu time spent up to now is 30.1 secs Computing kpt #: 218 total cpu time spent up to now is 30.3 secs Computing kpt #: 219 total cpu time spent up to now is 30.4 secs Computing kpt #: 220 total cpu time spent up to now is 30.5 secs Computing kpt #: 221 total cpu time spent up to now is 30.6 secs Computing kpt #: 222 total cpu time spent up to now is 30.7 secs Computing kpt #: 223 total cpu time spent up to now is 30.8 secs Computing kpt #: 224 total cpu time spent up to now is 31.0 secs Computing kpt #: 225 total cpu time spent up to now is 31.1 secs Computing kpt #: 226 total cpu time spent up to now is 31.2 secs Computing kpt #: 227 total cpu time spent up to now is 31.3 secs Computing kpt #: 228 total cpu time spent up to now is 31.4 secs Computing kpt #: 229 total cpu time spent up to now is 31.5 secs Computing kpt #: 230 total cpu time spent up to now is 31.7 secs Computing kpt #: 231 total cpu time spent up to now is 31.8 secs Computing kpt #: 232 total cpu time spent up to now is 32.0 secs Computing kpt #: 233 total cpu time spent up to now is 32.1 secs Computing kpt #: 234 total cpu time spent up to now is 32.3 secs Computing kpt #: 235 total cpu time spent up to now is 32.5 secs Computing kpt #: 236 total cpu time spent up to now is 32.6 secs Computing kpt #: 237 total cpu time spent up to now is 32.8 secs Computing kpt #: 238 total cpu time spent up to now is 33.0 secs Computing kpt #: 239 total cpu time spent up to now is 33.2 secs Computing kpt #: 240 total cpu time spent up to now is 33.4 secs Computing kpt #: 241 total cpu time spent up to now is 33.6 secs Computing kpt #: 242 total cpu time spent up to now is 33.7 secs Computing kpt #: 243 total cpu time spent up to now is 33.8 secs Computing kpt #: 244 total cpu time spent up to now is 34.0 secs Computing kpt #: 245 total cpu time spent up to now is 34.1 secs Computing kpt #: 246 total cpu time spent up to now is 34.2 secs Computing kpt #: 247 total cpu time spent up to now is 34.4 secs Computing kpt #: 248 total cpu time spent up to now is 34.6 secs Computing kpt #: 249 total cpu time spent up to now is 34.7 secs Computing kpt #: 250 total cpu time spent up to now is 35.5 secs Computing kpt #: 251 total cpu time spent up to now is 35.6 secs Computing kpt #: 252 total cpu time spent up to now is 35.8 secs Computing kpt #: 253 total cpu time spent up to now is 35.9 secs Computing kpt #: 254 total cpu time spent up to now is 36.0 secs Computing kpt #: 255 total cpu time spent up to now is 36.1 secs Computing kpt #: 256 total cpu time spent up to now is 36.3 secs Computing kpt #: 257 total cpu time spent up to now is 36.4 secs Computing kpt #: 258 total cpu time spent up to now is 36.6 secs Computing kpt #: 259 total cpu time spent up to now is 36.8 secs Computing kpt #: 260 total cpu time spent up to now is 36.9 secs Computing kpt #: 261 total cpu time spent up to now is 37.1 secs Computing kpt #: 262 total cpu time spent up to now is 37.2 secs Computing kpt #: 263 total cpu time spent up to now is 37.3 secs Computing kpt #: 264 total cpu time spent up to now is 37.4 secs Computing kpt #: 265 total cpu time spent up to now is 37.6 secs Computing kpt #: 266 total cpu time spent up to now is 37.7 secs Computing kpt #: 267 total cpu time spent up to now is 37.8 secs Computing kpt #: 268 total cpu time spent up to now is 37.9 secs Computing kpt #: 269 total cpu time spent up to now is 38.1 secs Computing kpt #: 270 total cpu time spent up to now is 38.2 secs Computing kpt #: 271 total cpu time spent up to now is 38.3 secs Computing kpt #: 272 total cpu time spent up to now is 38.4 secs Computing kpt #: 273 total cpu time spent up to now is 38.6 secs Computing kpt #: 274 total cpu time spent up to now is 38.7 secs Computing kpt #: 275 total cpu time spent up to now is 38.8 secs Computing kpt #: 276 total cpu time spent up to now is 38.9 secs Computing kpt #: 277 total cpu time spent up to now is 39.0 secs Computing kpt #: 278 total cpu time spent up to now is 39.2 secs Computing kpt #: 279 total cpu time spent up to now is 39.3 secs Computing kpt #: 280 total cpu time spent up to now is 39.4 secs Computing kpt #: 281 total cpu time spent up to now is 39.5 secs Computing kpt #: 282 total cpu time spent up to now is 39.7 secs Computing kpt #: 283 total cpu time spent up to now is 39.8 secs Computing kpt #: 284 total cpu time spent up to now is 40.1 secs Computing kpt #: 285 total cpu time spent up to now is 40.2 secs Computing kpt #: 286 total cpu time spent up to now is 40.4 secs Computing kpt #: 287 total cpu time spent up to now is 40.6 secs Computing kpt #: 288 total cpu time spent up to now is 40.7 secs Computing kpt #: 289 total cpu time spent up to now is 40.8 secs Computing kpt #: 290 total cpu time spent up to now is 41.0 secs Computing kpt #: 291 total cpu time spent up to now is 41.1 secs Computing kpt #: 292 total cpu time spent up to now is 41.2 secs Computing kpt #: 293 total cpu time spent up to now is 41.3 secs Computing kpt #: 294 total cpu time spent up to now is 41.5 secs Computing kpt #: 295 total cpu time spent up to now is 41.6 secs Computing kpt #: 296 total cpu time spent up to now is 41.7 secs Computing kpt #: 297 total cpu time spent up to now is 41.8 secs Computing kpt #: 298 total cpu time spent up to now is 41.9 secs Computing kpt #: 299 total cpu time spent up to now is 42.0 secs Computing kpt #: 300 total cpu time spent up to now is 42.1 secs Computing kpt #: 301 total cpu time spent up to now is 42.2 secs Computing kpt #: 302 total cpu time spent up to now is 42.3 secs Computing kpt #: 303 total cpu time spent up to now is 42.5 secs Computing kpt #: 304 total cpu time spent up to now is 42.6 secs Computing kpt #: 305 total cpu time spent up to now is 42.7 secs Computing kpt #: 306 total cpu time spent up to now is 42.8 secs Computing kpt #: 307 total cpu time spent up to now is 42.9 secs Computing kpt #: 308 total cpu time spent up to now is 43.0 secs Computing kpt #: 309 total cpu time spent up to now is 43.1 secs Computing kpt #: 310 total cpu time spent up to now is 43.2 secs Computing kpt #: 311 total cpu time spent up to now is 43.3 secs Computing kpt #: 312 total cpu time spent up to now is 43.5 secs Computing kpt #: 313 total cpu time spent up to now is 43.6 secs Computing kpt #: 314 total cpu time spent up to now is 43.8 secs Computing kpt #: 315 total cpu time spent up to now is 44.0 secs Computing kpt #: 316 total cpu time spent up to now is 44.2 secs Computing kpt #: 317 total cpu time spent up to now is 44.3 secs Computing kpt #: 318 total cpu time spent up to now is 44.5 secs Computing kpt #: 319 total cpu time spent up to now is 44.7 secs Computing kpt #: 320 total cpu time spent up to now is 44.9 secs Computing kpt #: 321 total cpu time spent up to now is 45.0 secs Computing kpt #: 322 total cpu time spent up to now is 45.2 secs Computing kpt #: 323 total cpu time spent up to now is 45.4 secs Computing kpt #: 324 total cpu time spent up to now is 45.6 secs Computing kpt #: 325 total cpu time spent up to now is 45.9 secs Computing kpt #: 326 total cpu time spent up to now is 46.2 secs Computing kpt #: 327 total cpu time spent up to now is 46.4 secs Computing kpt #: 328 total cpu time spent up to now is 46.6 secs Computing kpt #: 329 total cpu time spent up to now is 46.8 secs Computing kpt #: 330 total cpu time spent up to now is 47.2 secs Computing kpt #: 331 total cpu time spent up to now is 47.3 secs Computing kpt #: 332 total cpu time spent up to now is 47.4 secs Computing kpt #: 333 total cpu time spent up to now is 47.6 secs Computing kpt #: 334 total cpu time spent up to now is 47.7 secs Computing kpt #: 335 total cpu time spent up to now is 47.8 secs Computing kpt #: 336 total cpu time spent up to now is 48.0 secs Computing kpt #: 337 total cpu time spent up to now is 48.1 secs Computing kpt #: 338 total cpu time spent up to now is 48.3 secs Computing kpt #: 339 total cpu time spent up to now is 48.4 secs Computing kpt #: 340 total cpu time spent up to now is 48.6 secs Computing kpt #: 341 total cpu time spent up to now is 48.8 secs Computing kpt #: 342 total cpu time spent up to now is 49.0 secs Computing kpt #: 343 total cpu time spent up to now is 49.1 secs Computing kpt #: 344 total cpu time spent up to now is 49.3 secs Computing kpt #: 345 total cpu time spent up to now is 49.5 secs Computing kpt #: 346 total cpu time spent up to now is 49.6 secs Computing kpt #: 347 total cpu time spent up to now is 49.7 secs Computing kpt #: 348 total cpu time spent up to now is 49.9 secs Computing kpt #: 349 total cpu time spent up to now is 50.0 secs Computing kpt #: 350 total cpu time spent up to now is 50.1 secs Computing kpt #: 351 total cpu time spent up to now is 50.2 secs Computing kpt #: 352 total cpu time spent up to now is 50.3 secs Computing kpt #: 353 total cpu time spent up to now is 50.4 secs Computing kpt #: 354 total cpu time spent up to now is 50.6 secs Computing kpt #: 355 total cpu time spent up to now is 50.7 secs Computing kpt #: 356 total cpu time spent up to now is 50.8 secs Computing kpt #: 357 total cpu time spent up to now is 51.0 secs Computing kpt #: 358 total cpu time spent up to now is 51.2 secs Computing kpt #: 359 total cpu time spent up to now is 51.3 secs ethr = 3.57E-08, avg # of iterations = 15.4 total cpu time spent up to now is 51.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2466 -26.2466 -7.0676 -7.0676 -5.6106 -5.6106 -5.6106 -5.6106 10.0376 10.0376 12.0089 12.0089 12.0089 12.0089 14.1662 14.1662 14.1662 14.1662 14.3887 14.3887 18.1247 18.1247 18.1247 18.1247 21.7571 21.7571 21.7571 21.7571 k = 0.0000 0.0106-0.0000 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2465 -26.2465 -7.0677 -7.0677 -5.6111 -5.6111 -5.6106 -5.6106 10.0398 10.0398 12.0097 12.0097 12.0103 12.0103 14.1659 14.1659 14.1663 14.1663 14.3887 14.3887 18.1229 18.1229 18.1254 18.1254 21.7434 21.7434 21.7525 21.7525 k = 0.0000 0.0213-0.0000 ( 1843 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7878 -28.7878 -28.7876 -28.7876 -26.2463 -26.2463 -7.0683 -7.0683 -5.6124 -5.6124 -5.6105 -5.6105 10.0463 10.0463 12.0122 12.0122 12.0147 12.0147 14.1652 14.1652 14.1668 14.1668 14.3886 14.3886 18.1175 18.1175 18.1273 18.1273 21.7036 21.7036 21.7362 21.7362 k = 0.0000 0.0319-0.0000 ( 1847 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7879 -28.7879 -28.7876 -28.7876 -26.2460 -26.2460 -7.0691 -7.0691 -5.6147 -5.6147 -5.6103 -5.6103 10.0573 10.0573 12.0162 12.0162 12.0219 12.0219 14.1641 14.1641 14.1676 14.1676 14.3885 14.3885 18.1084 18.1084 18.1306 18.1306 21.6411 21.6411 21.7014 21.7014 k = 0.0000 0.0426-0.0000 ( 1847 PWs) bands (ev): -62.0898 -62.0898 -32.6890 -32.6890 -28.7882 -28.7882 -28.7876 -28.7876 -26.2455 -26.2455 -7.0703 -7.0703 -5.6178 -5.6178 -5.6101 -5.6101 10.0725 10.0725 12.0220 12.0220 12.0321 12.0321 14.1625 14.1625 14.1686 14.1686 14.3883 14.3883 18.0959 18.0959 18.1351 18.1351 21.5606 21.5606 21.6432 21.6432 k = 0.0000 0.0532-0.0000 ( 1847 PWs) bands (ev): -62.0897 -62.0897 -32.6891 -32.6891 -28.7885 -28.7885 -28.7875 -28.7875 -26.2450 -26.2450 -7.0718 -7.0718 -5.6218 -5.6218 -5.6098 -5.6098 10.0921 10.0921 12.0293 12.0293 12.0451 12.0451 14.1605 14.1605 14.1700 14.1700 14.3883 14.3883 18.0799 18.0799 18.1407 18.1407 21.4663 21.4663 21.5648 21.5648 k = 0.0000 0.0638-0.0000 ( 1843 PWs) bands (ev): -62.0897 -62.0897 -32.6892 -32.6892 -28.7888 -28.7888 -28.7875 -28.7875 -26.2443 -26.2443 -7.0736 -7.0736 -5.6265 -5.6265 -5.6094 -5.6094 10.1159 10.1159 12.0383 12.0383 12.0610 12.0610 14.1582 14.1582 14.1716 14.1716 14.3882 14.3882 18.0605 18.0605 18.1473 18.1473 21.3620 21.3620 21.4721 21.4721 k = 0.0000 0.0745-0.0000 ( 1843 PWs) bands (ev): -62.0897 -62.0897 -32.6893 -32.6893 -28.7893 -28.7893 -28.7874 -28.7874 -26.2435 -26.2435 -7.0758 -7.0758 -5.6321 -5.6321 -5.6090 -5.6090 10.1440 10.1440 12.0489 12.0489 12.0794 12.0794 14.1554 14.1554 14.1733 14.1733 14.3883 14.3883 18.0377 18.0377 18.1548 18.1548 21.2506 21.2506 21.3696 21.3696 k = 0.0000 0.0851-0.0000 ( 1847 PWs) bands (ev): -62.0897 -62.0897 -32.6894 -32.6894 -28.7898 -28.7898 -28.7874 -28.7874 -26.2425 -26.2425 -7.0783 -7.0783 -5.6385 -5.6385 -5.6085 -5.6085 10.1763 10.1763 12.0610 12.0610 12.1004 12.1004 14.1522 14.1522 14.1752 14.1752 14.3885 14.3885 18.0116 18.0116 18.1628 18.1628 21.1345 21.1345 21.2603 21.2603 k = 0.0000 0.0957-0.0000 ( 1847 PWs) bands (ev): -62.0897 -62.0897 -32.6895 -32.6895 -28.7903 -28.7903 -28.7873 -28.7873 -26.2415 -26.2415 -7.0812 -7.0812 -5.6455 -5.6455 -5.6079 -5.6079 10.2126 10.2126 12.0747 12.0747 12.1241 12.1241 14.1487 14.1487 14.1771 14.1771 14.3890 14.3890 17.9823 17.9823 18.1712 18.1712 21.0153 21.0153 21.1463 21.1463 k = 0.0000 0.1064-0.0000 ( 1839 PWs) bands (ev): -62.0896 -62.0896 -32.6896 -32.6896 -28.7909 -28.7909 -28.7872 -28.7872 -26.2403 -26.2403 -7.0843 -7.0843 -5.6532 -5.6532 -5.6073 -5.6073 10.2530 10.2530 12.0899 12.0899 12.1503 12.1503 14.1450 14.1450 14.1792 14.1792 14.3899 14.3899 17.9499 17.9499 18.1797 18.1797 20.8943 20.8943 21.0295 21.0295 k = 0.0000 0.1170-0.0000 ( 1839 PWs) bands (ev): -62.0896 -62.0896 -32.6898 -32.6898 -28.7916 -28.7916 -28.7872 -28.7872 -26.2391 -26.2391 -7.0878 -7.0878 -5.6615 -5.6615 -5.6066 -5.6066 10.2974 10.2974 12.1067 12.1067 12.1788 12.1788 14.1409 14.1409 14.1811 14.1811 14.3910 14.3910 17.9146 17.9146 18.1880 18.1880 20.7725 20.7725 20.9107 20.9107 k = 0.0000 0.1277-0.0000 ( 1847 PWs) bands (ev): -62.0896 -62.0896 -32.6900 -32.6900 -28.7923 -28.7923 -28.7871 -28.7871 -26.2378 -26.2378 -7.0916 -7.0916 -5.6704 -5.6704 -5.6059 -5.6059 10.3456 10.3456 12.1249 12.1249 12.2095 12.2095 14.1365 14.1365 14.1829 14.1829 14.3925 14.3925 17.8764 17.8764 18.1956 18.1956 20.6506 20.6506 20.7910 20.7910 k = 0.0000 0.1383-0.0000 ( 1847 PWs) bands (ev): -62.0895 -62.0895 -32.6902 -32.6902 -28.7930 -28.7930 -28.7870 -28.7870 -26.2363 -26.2363 -7.0957 -7.0957 -5.6798 -5.6798 -5.6052 -5.6052 10.3977 10.3977 12.1445 12.1445 12.2424 12.2424 14.1319 14.1319 14.1845 14.1845 14.3945 14.3945 17.8355 17.8355 18.2021 18.2021 20.5294 20.5294 20.6712 20.6712 k = 0.0000 0.1489-0.0000 ( 1847 PWs) bands (ev): -62.0895 -62.0895 -32.6904 -32.6904 -28.7938 -28.7938 -28.7869 -28.7869 -26.2348 -26.2348 -7.1001 -7.1001 -5.6896 -5.6896 -5.6044 -5.6044 10.4534 10.4534 12.1655 12.1655 12.2773 12.2773 14.1271 14.1271 14.1860 14.1860 14.3972 14.3972 17.7921 17.7921 18.2069 18.2069 20.4091 20.4091 20.5519 20.5519 k = 0.0000 0.1596-0.0000 ( 1839 PWs) bands (ev): -62.0894 -62.0894 -32.6906 -32.6906 -28.7947 -28.7947 -28.7868 -28.7868 -26.2332 -26.2332 -7.1048 -7.1048 -5.6997 -5.6997 -5.6035 -5.6035 10.5128 10.5128 12.1879 12.1879 12.3140 12.3140 14.1223 14.1223 14.1872 14.1872 14.4005 14.4005 17.7462 17.7462 18.2098 18.2098 20.2904 20.2904 20.4336 20.4336 k = 0.0000 0.1702-0.0000 ( 1839 PWs) bands (ev): -62.0894 -62.0894 -32.6908 -32.6908 -28.7955 -28.7955 -28.7868 -28.7868 -26.2316 -26.2316 -7.1097 -7.1097 -5.7102 -5.7102 -5.6026 -5.6026 10.5756 10.5756 12.2116 12.2116 12.3524 12.3524 14.1172 14.1172 14.1881 14.1881 14.4043 14.4043 17.6981 17.6981 18.2097 18.2097 20.1734 20.1734 20.3165 20.3165 k = 0.0000 0.1809-0.0000 ( 1839 PWs) bands (ev): -62.0894 -62.0894 -32.6910 -32.6910 -28.7964 -28.7964 -28.7867 -28.7867 -26.2298 -26.2298 -7.1150 -7.1150 -5.7210 -5.7210 -5.6017 -5.6017 10.6417 10.6417 12.2366 12.2366 12.3923 12.3923 14.1121 14.1121 14.1886 14.1886 14.4089 14.4089 17.6479 17.6479 18.2063 18.2063 20.0584 20.0584 20.2012 20.2012 k = 0.0000 0.1915-0.0000 ( 1839 PWs) bands (ev): -62.0893 -62.0893 -32.6912 -32.6912 -28.7974 -28.7974 -28.7866 -28.7866 -26.2280 -26.2280 -7.1205 -7.1205 -5.7319 -5.7319 -5.6007 -5.6007 10.7112 10.7112 12.2627 12.2627 12.4336 12.4336 14.1068 14.1068 14.1888 14.1888 14.4141 14.4141 17.5958 17.5958 18.1987 18.1987 19.9458 19.9458 20.0878 20.0878 k = 0.0000 0.2021-0.0000 ( 1831 PWs) bands (ev): -62.0892 -62.0892 -32.6914 -32.6914 -28.7983 -28.7983 -28.7864 -28.7864 -26.2262 -26.2262 -7.1262 -7.1262 -5.7429 -5.7429 -5.5998 -5.5998 10.7837 10.7837 12.2901 12.2901 12.4761 12.4761 14.1016 14.1016 14.1887 14.1887 14.4200 14.4200 17.5420 17.5420 18.1863 18.1863 19.8356 19.8356 19.9767 19.9767 k = 0.0000 0.2128-0.0000 ( 1843 PWs) bands (ev): -62.0892 -62.0892 -32.6917 -32.6917 -28.7993 -28.7993 -28.7863 -28.7863 -26.2244 -26.2244 -7.1322 -7.1322 -5.7541 -5.7541 -5.5988 -5.5988 10.8592 10.8592 12.3183 12.3183 12.5195 12.5195 14.0963 14.0963 14.1882 14.1882 14.4264 14.4264 17.4867 17.4867 18.1684 18.1684 19.7280 19.7280 19.8679 19.8679 k = 0.0000 0.2234-0.0000 ( 1835 PWs) bands (ev): -62.0892 -62.0892 -32.6919 -32.6919 -28.8003 -28.8003 -28.7862 -28.7862 -26.2225 -26.2225 -7.1383 -7.1383 -5.7652 -5.7652 -5.5978 -5.5978 10.9374 10.9374 12.3476 12.3476 12.5638 12.5638 14.0912 14.0912 14.1876 14.1876 14.4335 14.4335 17.4301 17.4301 18.1443 18.1443 19.6233 19.6233 19.7618 19.7618 k = 0.0000 0.2340-0.0000 ( 1835 PWs) bands (ev): -62.0891 -62.0891 -32.6922 -32.6922 -28.8013 -28.8013 -28.7861 -28.7861 -26.2206 -26.2206 -7.1446 -7.1446 -5.7763 -5.7763 -5.5967 -5.5967 11.0184 11.0184 12.3778 12.3778 12.6087 12.6087 14.0861 14.0861 14.1867 14.1867 14.4411 14.4411 17.3724 17.3724 18.1136 18.1136 19.5215 19.5215 19.6584 19.6584 k = 0.0000 0.2447-0.0000 ( 1835 PWs) bands (ev): -62.0891 -62.0891 -32.6924 -32.6924 -28.8023 -28.8023 -28.7860 -28.7860 -26.2186 -26.2186 -7.1510 -7.1510 -5.7873 -5.7873 -5.5957 -5.5957 11.1018 11.1018 12.4089 12.4089 12.6540 12.6540 14.0810 14.0810 14.1855 14.1855 14.4492 14.4492 17.3137 17.3137 18.0756 18.0756 19.4227 19.4227 19.5580 19.5580 k = 0.0000 0.2553-0.0000 ( 1835 PWs) bands (ev): -62.0890 -62.0890 -32.6926 -32.6926 -28.8033 -28.8033 -28.7859 -28.7859 -26.2167 -26.2167 -7.1576 -7.1576 -5.7981 -5.7981 -5.5947 -5.5947 11.1874 11.1874 12.4406 12.4406 12.6996 12.6996 14.0760 14.0760 14.1843 14.1843 14.4577 14.4577 17.2544 17.2544 18.0302 18.0302 19.3271 19.3271 19.4606 19.4606 k = 0.0000 0.2660-0.0000 ( 1835 PWs) bands (ev): -62.0890 -62.0890 -32.6929 -32.6929 -28.8043 -28.8043 -28.7858 -28.7858 -26.2148 -26.2148 -7.1643 -7.1643 -5.8088 -5.8088 -5.5936 -5.5936 11.2752 11.2752 12.4730 12.4730 12.7453 12.7453 14.0712 14.0712 14.1829 14.1829 14.4665 14.4665 17.1946 17.1946 17.9772 17.9772 19.2347 19.2347 19.3665 19.3665 k = 0.0000 0.2766-0.0000 ( 1839 PWs) bands (ev): -62.0889 -62.0889 -32.6931 -32.6931 -28.8053 -28.8053 -28.7857 -28.7857 -26.2129 -26.2129 -7.1710 -7.1710 -5.8192 -5.8192 -5.5926 -5.5926 11.3648 11.3648 12.5058 12.5058 12.7908 12.7908 14.0664 14.0664 14.1813 14.1813 14.4756 14.4756 17.1345 17.1345 17.9169 17.9169 19.1457 19.1457 19.2756 19.2756 k = 0.0000 0.2872-0.0000 ( 1839 PWs) bands (ev): -62.0889 -62.0889 -32.6934 -32.6934 -28.8063 -28.8063 -28.7856 -28.7856 -26.2110 -26.2110 -7.1778 -7.1778 -5.8293 -5.8293 -5.5916 -5.5916 11.4560 11.4560 12.5389 12.5389 12.8361 12.8361 14.0619 14.0619 14.1798 14.1798 14.4849 14.4849 17.0745 17.0745 17.8491 17.8491 19.0601 19.0601 19.1882 19.1882 k = 0.0000 0.2979-0.0000 ( 1839 PWs) bands (ev): -62.0889 -62.0889 -32.6936 -32.6936 -28.8072 -28.8072 -28.7855 -28.7855 -26.2091 -26.2091 -7.1845 -7.1845 -5.8391 -5.8391 -5.5906 -5.5906 11.5485 11.5485 12.5724 12.5724 12.8809 12.8809 14.0575 14.0575 14.1783 14.1783 14.4943 14.4943 17.0148 17.0148 17.7745 17.7745 18.9779 18.9779 19.1043 19.1043 k = 0.0000 0.3085-0.0000 ( 1847 PWs) bands (ev): -62.0888 -62.0888 -32.6939 -32.6939 -28.8082 -28.8082 -28.7854 -28.7854 -26.2073 -26.2073 -7.1913 -7.1913 -5.8486 -5.8486 -5.5897 -5.5897 11.6420 11.6420 12.6059 12.6059 12.9249 12.9249 14.0532 14.0532 14.1767 14.1767 14.5037 14.5037 16.9556 16.9556 17.6936 17.6936 18.8994 18.8994 19.0241 19.0241 k = 0.0000 0.3191-0.0000 ( 1843 PWs) bands (ev): -62.0888 -62.0888 -32.6941 -32.6941 -28.8091 -28.8091 -28.7853 -28.7853 -26.2055 -26.2055 -7.1979 -7.1979 -5.8576 -5.8576 -5.5887 -5.5887 11.7362 11.7362 12.6393 12.6393 12.9682 12.9682 14.0493 14.0493 14.1754 14.1754 14.5132 14.5132 16.8971 16.8971 17.6074 17.6074 18.8245 18.8245 18.9476 18.9476 k = 0.0000 0.3298-0.0000 ( 1847 PWs) bands (ev): -62.0888 -62.0888 -32.6943 -32.6943 -28.8100 -28.8100 -28.7852 -28.7852 -26.2038 -26.2038 -7.2044 -7.2044 -5.8663 -5.8663 -5.5878 -5.5878 11.8307 11.8307 12.6724 12.6724 13.0106 13.0106 14.0454 14.0454 14.1740 14.1740 14.5226 14.5226 16.8398 16.8398 17.5165 17.5165 18.7533 18.7533 18.8750 18.8750 k = 0.0000 0.3404-0.0000 ( 1843 PWs) bands (ev): -62.0887 -62.0887 -32.6945 -32.6945 -28.8109 -28.8109 -28.7851 -28.7851 -26.2021 -26.2021 -7.2108 -7.2108 -5.8744 -5.8744 -5.5869 -5.5869 11.9250 11.9250 12.7051 12.7051 13.0520 13.0520 14.0417 14.0417 14.1729 14.1729 14.5317 14.5317 16.7837 16.7837 17.4220 17.4220 18.6860 18.6860 18.8062 18.8062 k = 0.0000 0.3511-0.0000 ( 1843 PWs) bands (ev): -62.0887 -62.0887 -32.6947 -32.6947 -28.8117 -28.8117 -28.7850 -28.7850 -26.2005 -26.2005 -7.2169 -7.2169 -5.8822 -5.8822 -5.5860 -5.5860 12.0188 12.0188 12.7372 12.7372 13.0922 13.0922 14.0382 14.0382 14.1718 14.1718 14.5407 14.5407 16.7293 16.7293 17.3247 17.3247 18.6225 18.6225 18.7415 18.7415 k = 0.0000 0.3617-0.0000 ( 1851 PWs) bands (ev): -62.0887 -62.0887 -32.6949 -32.6949 -28.8125 -28.8125 -28.7849 -28.7849 -26.1990 -26.1990 -7.2229 -7.2229 -5.8895 -5.8895 -5.5852 -5.5852 12.1113 12.1113 12.7685 12.7685 13.1310 13.1310 14.0347 14.0347 14.1707 14.1707 14.5494 14.5494 16.6767 16.6767 17.2259 17.2259 18.5631 18.5631 18.6808 18.6808 k = 0.0000 0.3723-0.0000 ( 1843 PWs) bands (ev): -62.0886 -62.0886 -32.6951 -32.6951 -28.8132 -28.8132 -28.7848 -28.7848 -26.1976 -26.1976 -7.2285 -7.2285 -5.8962 -5.8962 -5.5845 -5.5845 12.2020 12.2020 12.7988 12.7988 13.1685 13.1685 14.0315 14.0315 14.1700 14.1700 14.5578 14.5578 16.6264 16.6264 17.1265 17.1265 18.5077 18.5077 18.6244 18.6244 k = 0.0000 0.3830-0.0000 ( 1843 PWs) bands (ev): -62.0886 -62.0886 -32.6953 -32.6953 -28.8139 -28.8139 -28.7848 -28.7848 -26.1962 -26.1962 -7.2339 -7.2339 -5.9025 -5.9025 -5.5837 -5.5837 12.2902 12.2902 12.8278 12.8278 13.2047 13.2047 14.0283 14.0283 14.1693 14.1693 14.5657 14.5657 16.5786 16.5786 17.0278 17.0278 18.4565 18.4565 18.5721 18.5721 k = 0.0000 0.3936-0.0000 ( 1835 PWs) bands (ev): -62.0885 -62.0885 -32.6954 -32.6954 -28.8145 -28.8145 -28.7847 -28.7847 -26.1950 -26.1950 -7.2389 -7.2389 -5.9082 -5.9082 -5.5831 -5.5831 12.3751 12.3751 12.8553 12.8553 13.2393 13.2393 14.0253 14.0253 14.1688 14.1688 14.5732 14.5732 16.5336 16.5336 16.9310 16.9310 18.4096 18.4096 18.5242 18.5242 k = 0.0000 0.4043-0.0000 ( 1836 PWs) bands (ev): -62.0885 -62.0885 -32.6956 -32.6956 -28.8151 -28.8151 -28.7846 -28.7846 -26.1938 -26.1938 -7.2436 -7.2436 -5.9134 -5.9134 -5.5824 -5.5824 12.4558 12.4558 12.8811 12.8811 13.2724 13.2724 14.0221 14.0221 14.1684 14.1684 14.5801 14.5801 16.4917 16.4917 16.8372 16.8372 18.3669 18.3669 18.4806 18.4806 k = 0.0000 0.4149-0.0000 ( 1828 PWs) bands (ev): -62.0884 -62.0884 -32.6957 -32.6957 -28.8157 -28.8157 -28.7845 -28.7845 -26.1928 -26.1928 -7.2478 -7.2478 -5.9181 -5.9181 -5.5819 -5.5819 12.5313 12.5313 12.9050 12.9050 13.3039 13.3039 14.0190 14.0190 14.1681 14.1681 14.5867 14.5867 16.4532 16.4532 16.7479 16.7479 18.3285 18.3285 18.4414 18.4414 k = 0.0000 0.4255-0.0000 ( 1836 PWs) bands (ev): -62.0884 -62.0884 -32.6958 -32.6958 -28.8161 -28.8161 -28.7845 -28.7845 -26.1919 -26.1919 -7.2516 -7.2516 -5.9222 -5.9222 -5.5814 -5.5814 12.6007 12.6007 12.9267 12.9267 13.3336 13.3336 14.0158 14.0158 14.1677 14.1677 14.5923 14.5923 16.4184 16.4184 16.6642 16.6642 18.2945 18.2945 18.4067 18.4067 k = 0.0000 0.4362-0.0000 ( 1836 PWs) bands (ev): -62.0884 -62.0884 -32.6959 -32.6959 -28.8166 -28.8166 -28.7845 -28.7845 -26.1911 -26.1911 -7.2550 -7.2550 -5.9258 -5.9258 -5.5810 -5.5810 12.6630 12.6630 12.9460 12.9460 13.3613 13.3613 14.0127 14.0127 14.1675 14.1675 14.5974 14.5974 16.3876 16.3876 16.5877 16.5877 18.2649 18.2649 18.3766 18.3766 k = 0.0000 0.4468-0.0000 ( 1844 PWs) bands (ev): -62.0884 -62.0884 -32.6960 -32.6960 -28.8169 -28.8169 -28.7844 -28.7844 -26.1904 -26.1904 -7.2579 -7.2579 -5.9289 -5.9289 -5.5806 -5.5806 12.7172 12.7172 12.9627 12.9627 13.3865 13.3865 14.0096 14.0096 14.1673 14.1673 14.6017 14.6017 16.3610 16.3610 16.5198 16.5198 18.2398 18.2398 18.3509 18.3509 k = 0.0000 0.4574-0.0000 ( 1844 PWs) bands (ev): -62.0884 -62.0884 -32.6961 -32.6961 -28.8172 -28.8172 -28.7844 -28.7844 -26.1898 -26.1898 -7.2603 -7.2603 -5.9314 -5.9314 -5.5803 -5.5803 12.7626 12.7626 12.9767 12.9767 13.4087 13.4087 14.0068 14.0068 14.1672 14.1672 14.6053 14.6053 16.3389 16.3389 16.4618 16.4618 18.2193 18.2193 18.3299 18.3299 k = 0.0000 0.4681-0.0000 ( 1844 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8175 -28.8175 -28.7844 -28.7844 -26.1893 -26.1893 -7.2622 -7.2622 -5.9333 -5.9333 -5.5801 -5.5801 12.7985 12.7985 12.9877 12.9877 13.4272 13.4272 14.0044 14.0044 14.1672 14.1672 14.6082 14.6082 16.3215 16.3215 16.4151 16.4151 18.2033 18.2033 18.3136 18.3136 k = 0.0000 0.4787-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8176 -28.8176 -28.7844 -28.7844 -26.1890 -26.1890 -7.2635 -7.2635 -5.9347 -5.9347 -5.5799 -5.5799 12.8245 12.8245 12.9957 12.9957 13.4412 13.4412 14.0024 14.0024 14.1672 14.1672 14.6103 14.6103 16.3090 16.3090 16.3809 16.3809 18.1918 18.1918 18.3019 18.3019 k = 0.0000 0.4894-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8177 -28.8177 -28.7843 -28.7843 -26.1888 -26.1888 -7.2643 -7.2643 -5.9355 -5.9355 -5.5798 -5.5798 12.8402 12.8402 13.0005 13.0005 13.4500 13.4500 14.0012 14.0012 14.1672 14.1672 14.6115 14.6115 16.3014 16.3014 16.3599 16.3599 18.1849 18.1849 18.2948 18.2948 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8178 -28.8178 -28.7843 -28.7843 -26.1888 -26.1888 -7.2646 -7.2646 -5.9358 -5.9358 -5.5797 -5.5797 12.8454 12.8454 13.0022 13.0022 13.4530 13.4530 14.0007 14.0007 14.1672 14.1672 14.6119 14.6119 16.2988 16.2988 16.3528 16.3528 18.1826 18.1826 18.2925 18.2925 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8178 -28.8178 -28.7843 -28.7843 -26.1888 -26.1888 -7.2646 -7.2646 -5.9358 -5.9358 -5.5797 -5.5797 12.8454 12.8454 13.0022 13.0022 13.4530 13.4530 14.0007 14.0007 14.1672 14.1672 14.6119 14.6119 16.2988 16.2988 16.3528 16.3528 18.1826 18.1826 18.2925 18.2925 k = 0.0106 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8177 -28.8177 -28.7844 -28.7844 -26.1887 -26.1887 -7.2647 -7.2647 -5.9359 -5.9359 -5.5800 -5.5800 12.8456 12.8456 13.0024 13.0024 13.4494 13.4494 14.0028 14.0028 14.1684 14.1684 14.6097 14.6097 16.3021 16.3021 16.3514 16.3514 18.1857 18.1857 18.2953 18.2953 k = 0.0213 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7844 -28.7844 -26.1886 -26.1886 -7.2648 -7.2648 -5.9361 -5.9361 -5.5808 -5.5808 12.8460 12.8460 13.0033 13.0033 13.4388 13.4388 14.0082 14.0082 14.1727 14.1727 14.6032 14.6032 16.3114 16.3114 16.3476 16.3476 18.1946 18.1946 18.3038 18.3038 k = 0.0319 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7845 -28.7845 -26.1885 -26.1885 -7.2650 -7.2650 -5.9365 -5.9365 -5.5821 -5.5821 12.8460 12.8460 13.0053 13.0053 13.4221 13.4221 14.0153 14.0153 14.1812 14.1812 14.5925 14.5925 16.3234 16.3234 16.3448 16.3448 18.2092 18.2092 18.3180 18.3180 k = 0.0426 0.5000-0.0000 ( 1848 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7846 -28.7846 -26.1883 -26.1883 -7.2653 -7.2653 -5.9370 -5.9370 -5.5838 -5.5838 12.8450 12.8450 13.0092 13.0092 13.4000 13.4000 14.0214 14.0214 14.1956 14.1956 14.5778 14.5778 16.3223 16.3223 16.3589 16.3589 18.2288 18.2288 18.3381 18.3381 k = 0.0532 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0883 -62.0883 -32.6964 -32.6964 -28.8176 -28.8176 -28.7848 -28.7848 -26.1880 -26.1880 -7.2656 -7.2656 -5.9377 -5.9377 -5.5860 -5.5860 12.8419 12.8419 13.0159 13.0159 13.3736 13.3736 14.0244 14.0244 14.2174 14.2174 14.5597 14.5597 16.3109 16.3109 16.3873 16.3873 18.2525 18.2525 18.3643 18.3643 k = 0.0638 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0883 -62.0883 -32.6965 -32.6965 -28.8176 -28.8176 -28.7850 -28.7850 -26.1877 -26.1877 -7.2661 -7.2661 -5.9385 -5.9385 -5.5887 -5.5887 12.8360 12.8360 13.0260 13.0260 13.3438 13.3438 14.0229 14.0229 14.2466 14.2466 14.5385 14.5385 16.2959 16.2959 16.4230 16.4230 18.2793 18.2793 18.3969 18.3969 k = 0.0745 0.5000-0.0000 ( 1850 PWs) bands (ev): -62.0883 -62.0883 -32.6965 -32.6965 -28.8175 -28.8175 -28.7852 -28.7852 -26.1873 -26.1873 -7.2666 -7.2666 -5.9396 -5.9396 -5.5917 -5.5917 12.8268 12.8268 13.0398 13.0398 13.3117 13.3117 14.0172 14.0172 14.2821 14.2821 14.5155 14.5155 16.2788 16.2788 16.4649 16.4649 18.3082 18.3082 18.4361 18.4361 k = 0.0851 0.5000-0.0000 ( 1850 PWs) bands (ev): -62.0883 -62.0883 -32.6966 -32.6966 -28.8174 -28.8174 -28.7854 -28.7854 -26.1869 -26.1869 -7.2672 -7.2672 -5.9408 -5.9408 -5.5951 -5.5951 12.8142 12.8142 13.0570 13.0570 13.2786 13.2786 14.0077 14.0077 14.3208 14.3208 14.4932 14.4932 16.2600 16.2600 16.5125 16.5125 18.3383 18.3383 18.4820 18.4820 k = 0.0957 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0883 -62.0883 -32.6967 -32.6967 -28.8173 -28.8173 -28.7857 -28.7857 -26.1864 -26.1864 -7.2679 -7.2679 -5.9423 -5.9423 -5.5988 -5.5988 12.7982 12.7982 13.0757 13.0757 13.2463 13.2463 13.9951 13.9951 14.3544 14.3544 14.4794 14.4794 16.2401 16.2401 16.5654 16.5654 18.3689 18.3689 18.5343 18.5343 k = 0.1064 0.5000-0.0000 ( 1850 PWs) bands (ev): -62.0883 -62.0883 -32.6968 -32.6968 -28.8172 -28.8172 -28.7860 -28.7860 -26.1859 -26.1859 -7.2687 -7.2687 -5.9439 -5.9439 -5.6028 -5.6028 12.7792 12.7792 13.0915 13.0915 13.2198 13.2198 13.9798 13.9798 14.3641 14.3641 14.4925 14.4925 16.2193 16.2193 16.6231 16.6231 18.3994 18.3994 18.5926 18.5926 k = 0.1170 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0882 -62.0882 -32.6970 -32.6970 -28.8171 -28.8171 -28.7863 -28.7863 -26.1853 -26.1853 -7.2697 -7.2697 -5.9458 -5.9458 -5.6070 -5.6070 12.7574 12.7574 13.0936 13.0936 13.2100 13.2100 13.9624 13.9624 14.3457 14.3457 14.5367 14.5367 16.1981 16.1981 16.6855 16.6855 18.4295 18.4295 18.6564 18.6564 k = 0.1277 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0882 -62.0882 -32.6971 -32.6971 -28.8171 -28.8171 -28.7867 -28.7867 -26.1847 -26.1847 -7.2707 -7.2707 -5.9480 -5.9480 -5.6113 -5.6113 12.7332 12.7332 13.0742 13.0742 13.2246 13.2246 13.9430 13.9430 14.3147 14.3147 14.5964 14.5964 16.1766 16.1766 16.7520 16.7520 18.4587 18.4587 18.7252 18.7252 k = 0.1383 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0881 -62.0881 -32.6972 -32.6972 -28.8170 -28.8170 -28.7870 -28.7870 -26.1840 -26.1840 -7.2718 -7.2718 -5.9504 -5.9504 -5.6157 -5.6157 12.7068 12.7068 13.0415 13.0415 13.2553 13.2553 13.9220 13.9220 14.2786 14.2786 14.6642 14.6642 16.1553 16.1553 16.8224 16.8224 18.4867 18.4867 18.7984 18.7984 k = 0.1489 0.5000-0.0000 ( 1848 PWs) bands (ev): -62.0881 -62.0881 -32.6974 -32.6974 -28.8169 -28.8169 -28.7874 -28.7874 -26.1833 -26.1833 -7.2731 -7.2731 -5.9531 -5.9531 -5.6201 -5.6201 12.6785 12.6785 13.0034 13.0034 13.2945 13.2945 13.8996 13.8996 14.2400 14.2400 14.7376 14.7376 16.1343 16.1343 16.8962 16.8962 18.5131 18.5131 18.8755 18.8755 k = 0.1596 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0881 -62.0881 -32.6975 -32.6975 -28.8168 -28.8168 -28.7878 -28.7878 -26.1826 -26.1826 -7.2744 -7.2744 -5.9561 -5.9561 -5.6245 -5.6245 12.6485 12.6485 12.9632 12.9632 13.3390 13.3390 13.8760 13.8760 14.2000 14.2000 14.8159 14.8159 16.1138 16.1138 16.9734 16.9734 18.5375 18.5375 18.9561 18.9561 k = 0.1702 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0880 -62.0880 -32.6977 -32.6977 -28.8167 -28.8167 -28.7882 -28.7882 -26.1818 -26.1818 -7.2759 -7.2759 -5.9594 -5.9594 -5.6289 -5.6289 12.6170 12.6170 12.9218 12.9218 13.3874 13.3874 13.8514 13.8514 14.1593 14.1593 14.8982 14.8982 16.0941 16.0941 17.0533 17.0533 18.5594 18.5594 19.0399 19.0399 k = 0.1809 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0880 -62.0880 -32.6978 -32.6978 -28.8166 -28.8166 -28.7886 -28.7886 -26.1810 -26.1810 -7.2775 -7.2775 -5.9630 -5.9630 -5.6332 -5.6332 12.5842 12.5842 12.8801 12.8801 13.4389 13.4389 13.8260 13.8260 14.1183 14.1183 14.9843 14.9843 16.0752 16.0752 17.1358 17.1358 18.5785 18.5785 19.1263 19.1263 k = 0.1915 0.5000-0.0000 ( 1842 PWs) bands (ev): -62.0879 -62.0879 -32.6980 -32.6980 -28.8165 -28.8165 -28.7890 -28.7890 -26.1802 -26.1802 -7.2792 -7.2792 -5.9669 -5.9669 -5.6372 -5.6372 12.5503 12.5503 12.8383 12.8383 13.4931 13.4931 13.8001 13.8001 14.0776 14.0776 15.0739 15.0739 16.0574 16.0574 17.2206 17.2206 18.5946 18.5946 19.2151 19.2151 k = 0.2021 0.5000-0.0000 ( 1842 PWs) bands (ev): -62.0879 -62.0879 -32.6982 -32.6982 -28.8165 -28.8165 -28.7894 -28.7894 -26.1793 -26.1793 -7.2810 -7.2810 -5.9711 -5.9711 -5.6411 -5.6411 12.5156 12.5156 12.7968 12.7968 13.5488 13.5488 13.7740 13.7740 14.0380 14.0380 15.1668 15.1668 16.0407 16.0407 17.3072 17.3072 18.6071 18.6071 19.3059 19.3059 k = 0.2128 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0879 -62.0879 -32.6984 -32.6984 -28.8164 -28.8164 -28.7898 -28.7898 -26.1785 -26.1785 -7.2830 -7.2830 -5.9755 -5.9755 -5.6448 -5.6448 12.4802 12.4802 12.7557 12.7557 13.6042 13.6042 13.7490 13.7490 14.0002 14.0002 15.2626 15.2626 16.0252 16.0252 17.3953 17.3953 18.6158 18.6158 19.3983 19.3983 k = 0.2234 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0878 -62.0878 -32.6986 -32.6986 -28.8164 -28.8164 -28.7901 -28.7901 -26.1776 -26.1776 -7.2850 -7.2850 -5.9802 -5.9802 -5.6482 -5.6482 12.4443 12.4443 12.7153 12.7153 13.6528 13.6528 13.7297 13.7297 13.9663 13.9663 15.3611 15.3611 16.0110 16.0110 17.4847 17.4847 18.6205 18.6205 19.4921 19.4921 k = 0.2340 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0878 -62.0878 -32.6987 -32.6987 -28.8164 -28.8164 -28.7905 -28.7905 -26.1767 -26.1767 -7.2872 -7.2872 -5.9852 -5.9852 -5.6513 -5.6513 12.4081 12.4081 12.6757 12.6757 13.6676 13.6676 13.7385 13.7385 13.9411 13.9411 15.4620 15.4620 15.9984 15.9984 17.5749 17.5749 18.6209 18.6209 19.5869 19.5869 k = 0.2447 0.5000-0.0000 ( 1846 PWs) bands (ev): -62.0877 -62.0877 -32.6989 -32.6989 -28.8164 -28.8164 -28.7909 -28.7909 -26.1758 -26.1758 -7.2895 -7.2895 -5.9903 -5.9903 -5.6541 -5.6541 12.3718 12.3718 12.6369 12.6369 13.6489 13.6489 13.7635 13.7635 13.9362 13.9362 15.5648 15.5648 15.9876 15.9876 17.6656 17.6656 18.6168 18.6168 19.6824 19.6824 k = 0.2553 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0877 -62.0877 -32.6991 -32.6991 -28.8164 -28.8164 -28.7912 -28.7912 -26.1749 -26.1749 -7.2918 -7.2918 -5.9956 -5.9956 -5.6567 -5.6567 12.3356 12.3356 12.5992 12.5992 13.6233 13.6233 13.7654 13.7654 13.9644 13.9644 15.6686 15.6686 15.9790 15.9790 17.7563 17.7563 18.6081 18.6081 19.7783 19.7783 k = 0.2660 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0876 -62.0876 -32.6993 -32.6993 -28.8164 -28.8164 -28.7915 -28.7915 -26.1740 -26.1740 -7.2943 -7.2943 -6.0010 -6.0010 -5.6589 -5.6589 12.2996 12.2996 12.5624 12.5624 13.5963 13.5963 13.7463 13.7463 14.0181 14.0181 15.7717 15.7717 15.9745 15.9745 17.8466 17.8466 18.5946 18.5946 19.8742 19.8742 k = 0.2766 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0876 -62.0876 -32.6995 -32.6995 -28.8165 -28.8165 -28.7918 -28.7918 -26.1731 -26.1731 -7.2968 -7.2968 -6.0065 -6.0065 -5.6609 -5.6609 12.2640 12.2640 12.5269 12.5269 13.5689 13.5689 13.7185 13.7185 14.0839 14.0839 15.8661 15.8661 15.9816 15.9816 17.9359 17.9359 18.5763 18.5763 19.9699 19.9699 k = 0.2872 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0875 -62.0875 -32.6997 -32.6997 -28.8165 -28.8165 -28.7921 -28.7921 -26.1722 -26.1722 -7.2994 -7.2994 -6.0120 -6.0120 -5.6626 -5.6626 12.2290 12.2290 12.4926 12.4926 13.5416 13.5416 13.6879 13.6879 14.1555 14.1555 15.9187 15.9187 16.0331 16.0331 18.0239 18.0239 18.5532 18.5532 20.0650 20.0650 k = 0.2979 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0875 -62.0875 -32.6998 -32.6998 -28.8166 -28.8166 -28.7923 -28.7923 -26.1714 -26.1714 -7.3020 -7.3020 -6.0176 -6.0176 -5.6641 -5.6641 12.1947 12.1947 12.4596 12.4596 13.5147 13.5147 13.6568 13.6568 14.2303 14.2303 15.9292 15.9292 16.1291 16.1291 18.1099 18.1099 18.5254 18.5254 20.1591 20.1591 k = 0.3085 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0875 -62.0875 -32.7000 -32.7000 -28.8167 -28.8167 -28.7926 -28.7926 -26.1705 -26.1705 -7.3046 -7.3046 -6.0231 -6.0231 -5.6653 -5.6653 12.1612 12.1612 12.4279 12.4279 13.4882 13.4882 13.6260 13.6260 14.3070 14.3070 15.9308 15.9308 16.2362 16.2362 18.1933 18.1933 18.4929 18.4929 20.2520 20.2520 k = 0.3191 0.5000-0.0000 ( 1836 PWs) bands (ev): -62.0874 -62.0874 -32.7002 -32.7002 -28.8168 -28.8168 -28.7927 -28.7927 -26.1697 -26.1697 -7.3073 -7.3073 -6.0285 -6.0285 -5.6663 -5.6663 12.1288 12.1288 12.3978 12.3978 13.4625 13.4625 13.5963 13.5963 14.3848 14.3848 15.9315 15.9315 16.3461 16.3461 18.2734 18.2734 18.4561 18.4561 20.3433 20.3433 k = 0.3298 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0874 -62.0874 -32.7004 -32.7004 -28.8170 -28.8170 -28.7929 -28.7929 -26.1689 -26.1689 -7.3099 -7.3099 -6.0338 -6.0338 -5.6671 -5.6671 12.0975 12.0975 12.3690 12.3690 13.4376 13.4376 13.5676 13.5676 14.4629 14.4629 15.9330 15.9330 16.4568 16.4568 18.3489 18.3489 18.4158 18.4158 20.4326 20.4326 k = 0.3404 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0873 -62.0873 -32.7005 -32.7005 -28.8171 -28.8171 -28.7931 -28.7931 -26.1681 -26.1681 -7.3126 -7.3126 -6.0390 -6.0390 -5.6677 -5.6677 12.0674 12.0674 12.3418 12.3418 13.4135 13.4135 13.5404 13.5404 14.5408 14.5408 15.9360 15.9360 16.5673 16.5673 18.3669 18.3669 18.4245 18.4245 20.5195 20.5195 k = 0.3511 0.5000-0.0000 ( 1836 PWs) bands (ev): -62.0873 -62.0873 -32.7007 -32.7007 -28.8173 -28.8173 -28.7932 -28.7932 -26.1674 -26.1674 -7.3152 -7.3152 -6.0440 -6.0440 -5.6682 -5.6682 12.0388 12.0388 12.3162 12.3162 13.3905 13.3905 13.5146 13.5146 14.6178 14.6178 15.9407 15.9407 16.6769 16.6769 18.3192 18.3192 18.4901 18.4901 20.6037 20.6037 k = 0.3617 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0873 -62.0873 -32.7008 -32.7008 -28.8174 -28.8174 -28.7934 -28.7934 -26.1667 -26.1667 -7.3177 -7.3177 -6.0487 -6.0487 -5.6686 -5.6686 12.0116 12.0116 12.2922 12.2922 13.3686 13.3686 13.4903 13.4903 14.6934 14.6934 15.9475 15.9475 16.7852 16.7852 18.2673 18.2673 18.5509 18.5509 20.6846 20.6846 k = 0.3723 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0872 -62.0872 -32.7010 -32.7010 -28.8176 -28.8176 -28.7935 -28.7935 -26.1660 -26.1660 -7.3202 -7.3202 -6.0533 -6.0533 -5.6688 -5.6688 11.9861 11.9861 12.2698 12.2698 13.3480 13.3480 13.4677 13.4677 14.7666 14.7666 15.9567 15.9567 16.8914 16.8914 18.2126 18.2126 18.6056 18.6056 20.7619 20.7619 k = 0.3830 0.5000-0.0000 ( 1844 PWs) bands (ev): -62.0872 -62.0872 -32.7011 -32.7011 -28.8177 -28.8177 -28.7935 -28.7935 -26.1654 -26.1654 -7.3225 -7.3225 -6.0575 -6.0575 -5.6689 -5.6689 11.9623 11.9623 12.2491 12.2491 13.3287 13.3287 13.4468 13.4468 14.8369 14.8369 15.9683 15.9683 16.9951 16.9951 18.1559 18.1559 18.6536 18.6536 20.8353 20.8353 k = 0.3936 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0872 -62.0872 -32.7012 -32.7012 -28.8179 -28.8179 -28.7936 -28.7936 -26.1648 -26.1648 -7.3247 -7.3247 -6.0614 -6.0614 -5.6690 -5.6690 11.9402 11.9402 12.2301 12.2301 13.3108 13.3108 13.4276 13.4276 14.9035 14.9035 15.9825 15.9825 17.0955 17.0955 18.0979 18.0979 18.6946 18.6946 20.9042 20.9042 k = 0.4043 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0871 -62.0871 -32.7013 -32.7013 -28.8180 -28.8180 -28.7937 -28.7937 -26.1642 -26.1642 -7.3268 -7.3268 -6.0650 -6.0650 -5.6690 -5.6690 11.9200 11.9200 12.2129 12.2129 13.2943 13.2943 13.4102 13.4102 14.9655 14.9655 15.9991 15.9991 17.1918 17.1918 18.0393 18.0393 18.7283 18.7283 20.9682 20.9682 k = 0.4149 0.5000-0.0000 ( 1842 PWs) bands (ev): -62.0871 -62.0871 -32.7014 -32.7014 -28.8182 -28.8182 -28.7937 -28.7937 -26.1637 -26.1637 -7.3287 -7.3287 -6.0683 -6.0683 -5.6689 -5.6689 11.9017 11.9017 12.1974 12.1974 13.2794 13.2794 13.3945 13.3945 15.0221 15.0221 16.0183 16.0183 17.2832 17.2832 17.9813 17.9813 18.7548 18.7548 21.0268 21.0268 k = 0.4255 0.5000-0.0000 ( 1838 PWs) bands (ev): -62.0871 -62.0871 -32.7015 -32.7015 -28.8183 -28.8183 -28.7937 -28.7937 -26.1633 -26.1633 -7.3304 -7.3304 -6.0712 -6.0712 -5.6688 -5.6688 11.8854 11.8854 12.1837 12.1837 13.2662 13.2662 13.3807 13.3807 15.0729 15.0729 16.0395 16.0395 17.3686 17.3686 17.9248 17.9248 18.7744 18.7744 21.0797 21.0797 k = 0.4362 0.5000-0.0000 ( 1838 PWs) bands (ev): -62.0871 -62.0871 -32.7016 -32.7016 -28.8184 -28.8184 -28.7938 -28.7938 -26.1629 -26.1629 -7.3320 -7.3320 -6.0738 -6.0738 -5.6687 -5.6687 11.8712 11.8712 12.1718 12.1718 13.2547 13.2547 13.3686 13.3686 15.1172 15.1172 16.0620 16.0620 17.4471 17.4471 17.8713 17.8713 18.7878 18.7878 21.1265 21.1265 k = 0.4468 0.5000-0.0000 ( 1842 PWs) bands (ev): -62.0870 -62.0870 -32.7017 -32.7017 -28.8185 -28.8185 -28.7938 -28.7938 -26.1626 -26.1626 -7.3333 -7.3333 -6.0760 -6.0760 -5.6687 -5.6687 11.8591 11.8591 12.1617 12.1617 13.2447 13.2447 13.3584 13.3584 15.1546 15.1546 16.0846 16.0846 17.5172 17.5172 17.8221 17.8221 18.7958 18.7958 21.1666 21.1666 k = 0.4574 0.5000-0.0000 ( 1836 PWs) bands (ev): -62.0870 -62.0870 -32.7017 -32.7017 -28.8186 -28.8186 -28.7938 -28.7938 -26.1623 -26.1623 -7.3344 -7.3344 -6.0777 -6.0777 -5.6686 -5.6686 11.8492 11.8492 12.1534 12.1534 13.2366 13.2366 13.3500 13.3500 15.1854 15.1854 16.1064 16.1064 17.5775 17.5775 17.7787 17.7787 18.7997 18.7997 21.1996 21.1996 k = 0.4681 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0870 -62.0870 -32.7017 -32.7017 -28.8187 -28.8187 -28.7938 -28.7938 -26.1621 -26.1621 -7.3353 -7.3353 -6.0791 -6.0791 -5.6685 -5.6685 11.8414 11.8414 12.1469 12.1469 13.2303 13.2303 13.3434 13.3434 15.2090 15.2090 16.1257 16.1257 17.6266 17.6266 17.7428 17.7428 18.8006 18.8006 21.2251 21.2251 k = 0.4787 0.5000-0.0000 ( 1848 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8187 -28.8187 -28.7938 -28.7938 -26.1620 -26.1620 -7.3359 -7.3359 -6.0802 -6.0802 -5.6685 -5.6685 11.8358 11.8358 12.1423 12.1423 13.2256 13.2256 13.3386 13.3386 15.2256 15.2256 16.1409 16.1409 17.6629 17.6629 17.7160 17.7160 18.7999 18.7999 21.2422 21.2422 k = 0.4894 0.5000-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7938 -28.7938 -26.1619 -26.1619 -7.3363 -7.3363 -6.0808 -6.0808 -5.6684 -5.6684 11.8324 11.8324 12.1395 12.1395 13.2229 13.2229 13.3358 13.3358 15.2355 15.2355 16.1506 16.1506 17.6843 17.6843 17.7002 17.7002 18.7989 18.7989 21.2507 21.2507 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7938 -28.7938 -26.1619 -26.1619 -7.3364 -7.3364 -6.0810 -6.0810 -5.6684 -5.6684 11.8313 11.8313 12.1385 12.1385 13.2219 13.2219 13.3349 13.3349 15.2388 15.2388 16.1540 16.1540 17.6886 17.6886 17.6978 17.6978 18.7985 18.7985 21.2529 21.2530 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7938 -28.7938 -26.1619 -26.1619 -7.3364 -7.3364 -6.0810 -6.0810 -5.6684 -5.6684 11.8313 11.8313 12.1385 12.1385 13.2219 13.2219 13.3349 13.3349 15.2388 15.2388 16.1540 16.1540 17.6886 17.6886 17.6978 17.6978 18.7985 18.7985 21.2529 21.2530 k = 0.4924 0.4924-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7938 -28.7938 -26.1619 -26.1619 -7.3363 -7.3363 -6.0808 -6.0808 -5.6684 -5.6684 11.8324 11.8324 12.1395 12.1395 13.2229 13.2229 13.3358 13.3358 15.2354 15.2354 16.1506 16.1506 17.6870 17.6870 17.6975 17.6975 18.7989 18.7989 21.2506 21.2506 k = 0.4848 0.4848-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8187 -28.8187 -28.7938 -28.7938 -26.1620 -26.1620 -7.3359 -7.3359 -6.0802 -6.0802 -5.6685 -5.6685 11.8358 11.8358 12.1423 12.1423 13.2256 13.2256 13.3387 13.3387 15.2254 15.2254 16.1402 16.1402 17.6773 17.6773 17.7016 17.7016 18.8001 18.8001 21.2410 21.2410 k = 0.4773 0.4773-0.0000 ( 1832 PWs) bands (ev): -62.0870 -62.0870 -32.7017 -32.7017 -28.8187 -28.8187 -28.7938 -28.7938 -26.1621 -26.1621 -7.3352 -7.3352 -6.0791 -6.0791 -5.6685 -5.6685 11.8414 11.8414 12.1471 12.1471 13.2303 13.2303 13.3437 13.3437 15.2092 15.2092 16.1230 16.1230 17.6595 17.6595 17.7109 17.7109 18.8015 18.8015 21.2219 21.2219 k = 0.4697 0.4697-0.0000 ( 1832 PWs) bands (ev): -62.0870 -62.0870 -32.7017 -32.7017 -28.8186 -28.8186 -28.7938 -28.7938 -26.1623 -26.1623 -7.3343 -7.3343 -6.0777 -6.0777 -5.6686 -5.6686 11.8491 11.8491 12.1537 12.1537 13.2365 13.2365 13.3506 13.3506 15.1864 15.1864 16.0987 16.0987 17.6354 17.6354 17.7240 17.7240 18.8025 18.8025 21.1937 21.1937 k = 0.4621 0.4621-0.0000 ( 1836 PWs) bands (ev): -62.0870 -62.0870 -32.7016 -32.7016 -28.8185 -28.8185 -28.7938 -28.7938 -26.1626 -26.1626 -7.3332 -7.3332 -6.0758 -6.0758 -5.6687 -5.6687 11.8588 11.8588 12.1622 12.1622 13.2442 13.2442 13.3596 13.3596 15.1576 15.1576 16.0673 16.0673 17.6065 17.6065 17.7405 17.7405 18.8021 18.8021 21.1575 21.1575 k = 0.4545 0.4545-0.0000 ( 1830 PWs) bands (ev): -62.0870 -62.0870 -32.7016 -32.7016 -28.8184 -28.8184 -28.7938 -28.7938 -26.1629 -26.1629 -7.3318 -7.3318 -6.0736 -6.0736 -5.6688 -5.6688 11.8704 11.8704 12.1726 12.1726 13.2533 13.2533 13.3709 13.3709 15.1232 15.1232 16.0290 16.0290 17.5743 17.5743 17.7597 17.7597 18.7996 18.7996 21.1140 21.1140 k = 0.4470 0.4470-0.0000 ( 1834 PWs) bands (ev): -62.0871 -62.0871 -32.7015 -32.7015 -28.8182 -28.8182 -28.7937 -28.7937 -26.1634 -26.1634 -7.3301 -7.3301 -6.0709 -6.0709 -5.6690 -5.6690 11.8835 11.8835 12.1850 12.1850 13.2636 13.2636 13.3845 13.3845 15.0835 15.0835 15.9835 15.9835 17.5400 17.5400 17.7814 17.7814 18.7943 18.7943 21.0637 21.0637 k = 0.4394 0.4394-0.0000 ( 1844 PWs) bands (ev): -62.0871 -62.0871 -32.7014 -32.7014 -28.8181 -28.8181 -28.7937 -28.7937 -26.1638 -26.1638 -7.3282 -7.3282 -6.0679 -6.0679 -5.6691 -5.6691 11.8981 11.8981 12.1993 12.1993 13.2747 13.2747 13.4005 13.4005 15.0390 15.0390 15.9310 15.9310 17.5048 17.5048 17.8050 17.8050 18.7855 18.7855 21.0074 21.0074 k = 0.4318 0.4318-0.0000 ( 1844 PWs) bands (ev): -62.0871 -62.0871 -32.7013 -32.7013 -28.8179 -28.8179 -28.7937 -28.7937 -26.1644 -26.1644 -7.3261 -7.3261 -6.0644 -6.0644 -5.6693 -5.6693 11.9138 11.9138 12.2156 12.2156 13.2869 13.2869 13.4191 13.4191 14.9902 14.9902 15.8718 15.8718 17.4698 17.4698 17.8301 17.8301 18.7729 18.7729 20.9457 20.9457 k = 0.4242 0.4242-0.0000 ( 1842 PWs) bands (ev): -62.0872 -62.0872 -32.7012 -32.7012 -28.8177 -28.8177 -28.7937 -28.7937 -26.1650 -26.1650 -7.3237 -7.3237 -6.0606 -6.0606 -5.6695 -5.6695 11.9305 11.9305 12.2340 12.2340 13.2998 13.2998 13.4403 13.4403 14.9376 14.9376 15.8062 15.8062 17.4359 17.4359 17.8563 17.8563 18.7560 18.7560 20.8793 20.8793 k = 0.4167 0.4167-0.0000 ( 1840 PWs) bands (ev): -62.0872 -62.0872 -32.7010 -32.7010 -28.8175 -28.8175 -28.7937 -28.7937 -26.1656 -26.1656 -7.3210 -7.3210 -6.0563 -6.0563 -5.6696 -5.6696 11.9477 11.9477 12.2542 12.2542 13.3133 13.3133 13.4640 13.4640 14.8814 14.8814 15.7345 15.7345 17.4037 17.4037 17.8830 17.8830 18.7350 18.7350 20.8087 20.8087 k = 0.4091 0.4091-0.0000 ( 1844 PWs) bands (ev): -62.0872 -62.0872 -32.7009 -32.7009 -28.8172 -28.8172 -28.7936 -28.7936 -26.1663 -26.1663 -7.3181 -7.3181 -6.0516 -6.0516 -5.6698 -5.6698 11.9652 11.9652 12.2763 12.2763 13.3275 13.3275 13.4901 13.4901 14.8221 14.8221 15.6574 15.6574 17.3738 17.3738 17.9099 17.9099 18.7097 18.7097 20.7347 20.7347 k = 0.4015 0.4015-0.0000 ( 1846 PWs) bands (ev): -62.0873 -62.0873 -32.7008 -32.7008 -28.8170 -28.8170 -28.7936 -28.7936 -26.1671 -26.1671 -7.3150 -7.3150 -6.0466 -6.0466 -5.6699 -5.6699 11.9826 11.9826 12.3002 12.3002 13.3423 13.3423 13.5185 13.5185 14.7600 14.7600 15.5755 15.5755 17.3465 17.3465 17.9366 17.9366 18.6804 18.6804 20.6579 20.6579 k = 0.3939 0.3939-0.0000 ( 1846 PWs) bands (ev): -62.0873 -62.0873 -32.7006 -32.7006 -28.8167 -28.8167 -28.7935 -28.7935 -26.1680 -26.1680 -7.3116 -7.3116 -6.0411 -6.0411 -5.6701 -5.6701 11.9998 11.9998 12.3258 12.3258 13.3576 13.3576 13.5490 13.5490 14.6955 14.6955 15.4895 15.4895 17.3223 17.3223 17.9628 17.9628 18.6475 18.6475 20.5790 20.5790 k = 0.3864 0.3864-0.0000 ( 1846 PWs) bands (ev): -62.0874 -62.0874 -32.7004 -32.7004 -28.8164 -28.8164 -28.7935 -28.7935 -26.1689 -26.1689 -7.3080 -7.3080 -6.0353 -6.0353 -5.6702 -5.6702 12.0162 12.0162 12.3528 12.3528 13.3736 13.3736 13.5815 13.5815 14.6290 14.6290 15.4001 15.4001 17.3012 17.3012 17.9882 17.9882 18.6114 18.6114 20.4986 20.4986 k = 0.3788 0.3788-0.0000 ( 1850 PWs) bands (ev): -62.0874 -62.0874 -32.7002 -32.7002 -28.8160 -28.8160 -28.7934 -28.7934 -26.1699 -26.1699 -7.3042 -7.3042 -6.0291 -6.0291 -5.6702 -5.6702 12.0317 12.0317 12.3810 12.3810 13.3899 13.3899 13.6157 13.6157 14.5608 14.5608 15.3081 15.3081 17.2834 17.2834 18.0124 18.0124 18.5725 18.5725 20.4173 20.4173 k = 0.3712 0.3712-0.0000 ( 1847 PWs) bands (ev): -62.0875 -62.0875 -32.7000 -32.7000 -28.8157 -28.8157 -28.7934 -28.7934 -26.1710 -26.1710 -7.3001 -7.3001 -6.0225 -6.0225 -5.6703 -5.6703 12.0458 12.0458 12.4101 12.4101 13.4071 13.4071 13.6514 13.6514 14.4912 14.4912 15.2145 15.2145 17.2692 17.2692 18.0353 18.0353 18.5313 18.5313 20.3359 20.3359 k = 0.3636 0.3636-0.0000 ( 1847 PWs) bands (ev): -62.0875 -62.0875 -32.6998 -32.6998 -28.8153 -28.8153 -28.7933 -28.7933 -26.1721 -26.1721 -7.2959 -7.2959 -6.0156 -6.0156 -5.6703 -5.6703 12.0584 12.0584 12.4397 12.4397 13.4248 13.4248 13.6882 13.6882 14.4204 14.4204 15.1201 15.1201 17.2586 17.2586 18.0568 18.0568 18.4885 18.4885 20.2546 20.2546 k = 0.3561 0.3561-0.0000 ( 1843 PWs) bands (ev): -62.0875 -62.0875 -32.6996 -32.6996 -28.8149 -28.8149 -28.7932 -28.7932 -26.1733 -26.1733 -7.2914 -7.2914 -6.0083 -6.0083 -5.6702 -5.6702 12.0691 12.0691 12.4694 12.4694 13.4432 13.4432 13.7258 13.7258 14.3489 14.3489 15.0259 15.0259 17.2517 17.2517 18.0766 18.0766 18.4446 18.4446 20.1743 20.1743 k = 0.3485 0.3485-0.0000 ( 1843 PWs) bands (ev): -62.0876 -62.0876 -32.6994 -32.6994 -28.8144 -28.8144 -28.7931 -28.7931 -26.1746 -26.1746 -7.2867 -7.2867 -6.0006 -6.0006 -5.6700 -5.6700 12.0774 12.0774 12.4987 12.4987 13.4620 13.4620 13.7636 13.7636 14.2771 14.2771 14.9326 14.9326 17.2487 17.2487 18.0947 18.0947 18.4003 18.4003 20.0953 20.0953 k = 0.3409 0.3409-0.0000 ( 1839 PWs) bands (ev): -62.0876 -62.0876 -32.6991 -32.6991 -28.8139 -28.8139 -28.7930 -28.7930 -26.1759 -26.1759 -7.2818 -7.2818 -5.9926 -5.9926 -5.6698 -5.6698 12.0832 12.0832 12.5272 12.5272 13.4813 13.4813 13.8010 13.8010 14.2058 14.2058 14.8413 14.8413 17.2498 17.2498 18.1109 18.1109 18.3561 18.3561 20.0183 20.0183 k = 0.3333 0.3333-0.0000 ( 1833 PWs) bands (ev): -62.0877 -62.0877 -32.6989 -32.6989 -28.8134 -28.8134 -28.7929 -28.7929 -26.1773 -26.1773 -7.2768 -7.2768 -5.9843 -5.9843 -5.6696 -5.6696 12.0859 12.0859 12.5543 12.5543 13.5010 13.5010 13.8364 13.8364 14.1363 14.1363 14.7530 14.7530 17.2550 17.2550 18.1251 18.1251 18.3128 18.3128 19.9438 19.9438 k = 0.3258 0.3258-0.0000 ( 1843 PWs) bands (ev): -62.0878 -62.0878 -32.6986 -32.6986 -28.8130 -28.8130 -28.7928 -28.7928 -26.1788 -26.1788 -7.2716 -7.2716 -5.9756 -5.9756 -5.6693 -5.6693 12.0852 12.0852 12.5795 12.5795 13.5210 13.5210 13.8657 13.8657 14.0720 14.0720 14.6686 14.6686 17.2646 17.2646 18.1371 18.1371 18.2710 18.2710 19.8722 19.8722 k = 0.3182 0.3182-0.0000 ( 1843 PWs) bands (ev): -62.0878 -62.0878 -32.6984 -32.6984 -28.8124 -28.8124 -28.7927 -28.7927 -26.1803 -26.1803 -7.2662 -7.2662 -5.9667 -5.9667 -5.6689 -5.6689 12.0805 12.0805 12.6023 12.6023 13.5412 13.5412 13.8775 13.8775 14.0250 14.0250 14.5892 14.5892 17.2787 17.2787 18.1462 18.1462 18.2322 18.2322 19.8042 19.8042 k = 0.3106 0.3106-0.0000 ( 1843 PWs) bands (ev): -62.0879 -62.0879 -32.6981 -32.6981 -28.8119 -28.8119 -28.7926 -28.7926 -26.1819 -26.1819 -7.2606 -7.2606 -5.9574 -5.9574 -5.6684 -5.6684 12.0716 12.0716 12.6221 12.6221 13.5612 13.5612 13.8516 13.8516 14.0149 14.0149 14.5162 14.5162 17.2975 17.2975 18.1494 18.1494 18.2000 18.2000 19.7401 19.7401 k = 0.3030 0.3030-0.0000 ( 1843 PWs) bands (ev): -62.0879 -62.0879 -32.6978 -32.6978 -28.8113 -28.8113 -28.7925 -28.7925 -26.1835 -26.1835 -7.2549 -7.2549 -5.9479 -5.9479 -5.6678 -5.6678 12.0578 12.0578 12.6387 12.6387 13.5802 13.5802 13.7973 13.7973 14.0323 14.0323 14.4508 14.4508 17.3209 17.3209 18.1370 18.1370 18.1845 18.1845 19.6804 19.6804 k = 0.2955 0.2955-0.0000 ( 1849 PWs) bands (ev): -62.0880 -62.0880 -32.6976 -32.6976 -28.8107 -28.8107 -28.7924 -28.7924 -26.1853 -26.1853 -7.2490 -7.2490 -5.9381 -5.9381 -5.6671 -5.6671 12.0388 12.0388 12.6516 12.6516 13.5956 13.5956 13.7365 13.7365 14.0565 14.0565 14.3950 14.3950 17.3489 17.3489 18.1116 18.1116 18.1838 18.1838 19.6255 19.6255 k = 0.2879 0.2879-0.0000 ( 1849 PWs) bands (ev): -62.0881 -62.0881 -32.6973 -32.6973 -28.8101 -28.8101 -28.7922 -28.7922 -26.1870 -26.1870 -7.2430 -7.2430 -5.9280 -5.9280 -5.6663 -5.6663 12.0142 12.0142 12.6607 12.6607 13.5959 13.5959 13.6880 13.6880 14.0785 14.0785 14.3511 14.3511 17.3814 17.3814 18.0857 18.0857 18.1866 18.1866 19.5760 19.5760 k = 0.2803 0.2803-0.0000 ( 1851 PWs) bands (ev): -62.0882 -62.0882 -32.6970 -32.6970 -28.8094 -28.8094 -28.7921 -28.7921 -26.1888 -26.1888 -7.2369 -7.2369 -5.9177 -5.9177 -5.6655 -5.6655 11.9837 11.9837 12.6658 12.6658 13.5571 13.5571 13.6777 13.6777 14.0929 14.0929 14.3223 14.3223 17.4178 17.4178 18.0635 18.0635 18.1894 18.1894 19.5322 19.5322 k = 0.2727 0.2727-0.0000 ( 1847 PWs) bands (ev): -62.0882 -62.0882 -32.6967 -32.6967 -28.8087 -28.8087 -28.7920 -28.7920 -26.1907 -26.1907 -7.2307 -7.2307 -5.9072 -5.9072 -5.6645 -5.6645 11.9471 11.9471 12.6668 12.6668 13.4950 13.4950 13.6909 13.6909 14.0968 14.0968 14.3108 14.3108 17.4575 17.4575 18.0470 18.0470 18.1916 18.1916 19.4945 19.4945 k = 0.2652 0.2652-0.0000 ( 1847 PWs) bands (ev): -62.0883 -62.0883 -32.6964 -32.6964 -28.8081 -28.8081 -28.7918 -28.7918 -26.1926 -26.1926 -7.2244 -7.2244 -5.8965 -5.8965 -5.6634 -5.6634 11.9045 11.9045 12.6640 12.6640 13.4276 13.4276 13.7098 13.7098 14.0912 14.0912 14.3145 14.3145 17.4992 17.4992 18.0378 18.0378 18.1929 18.1929 19.4634 19.4634 k = 0.2576 0.2576-0.0000 ( 1853 PWs) bands (ev): -62.0884 -62.0884 -32.6961 -32.6961 -28.8074 -28.8074 -28.7917 -28.7917 -26.1946 -26.1946 -7.2181 -7.2181 -5.8857 -5.8857 -5.6623 -5.6623 11.8559 11.8559 12.6575 12.6575 13.3590 13.3590 13.7304 13.7304 14.0810 14.0810 14.3280 14.3280 17.5412 17.5412 18.0381 18.0381 18.1935 18.1935 19.4391 19.4391 k = 0.2500 0.2500-0.0000 ( 1853 PWs) bands (ev): -62.0884 -62.0884 -32.6958 -32.6958 -28.8066 -28.8066 -28.7915 -28.7915 -26.1966 -26.1966 -7.2116 -7.2116 -5.8747 -5.8747 -5.6610 -5.6610 11.8017 11.8017 12.6477 12.6477 13.2906 13.2906 13.7517 13.7517 14.0704 14.0704 14.3463 14.3463 17.5811 17.5811 18.0502 18.0502 18.1936 18.1936 19.4220 19.4220 k = 0.2424 0.2424-0.0000 ( 1853 PWs) bands (ev): -62.0885 -62.0885 -32.6955 -32.6955 -28.8059 -28.8059 -28.7914 -28.7914 -26.1986 -26.1986 -7.2052 -7.2052 -5.8635 -5.8635 -5.6597 -5.6597 11.7423 11.7423 12.6348 12.6348 13.2229 13.2229 13.7731 13.7731 14.0619 14.0619 14.3662 14.3662 17.6165 17.6165 18.0762 18.0762 18.1934 18.1934 19.4123 19.4123 k = 0.2348 0.2348-0.0000 ( 1849 PWs) bands (ev): -62.0885 -62.0885 -32.6952 -32.6952 -28.8051 -28.8051 -28.7912 -28.7912 -26.2007 -26.2007 -7.1987 -7.1987 -5.8523 -5.8523 -5.6582 -5.6582 11.6783 11.6783 12.6192 12.6192 13.1561 13.1561 13.7944 13.7944 14.0563 14.0563 14.3858 14.3858 17.6459 17.6459 18.1168 18.1168 18.1942 18.1942 19.4104 19.4104 k = 0.2273 0.2273-0.0000 ( 1853 PWs) bands (ev): -62.0886 -62.0886 -32.6948 -32.6948 -28.8044 -28.8044 -28.7910 -28.7910 -26.2027 -26.2027 -7.1922 -7.1922 -5.8410 -5.8410 -5.6567 -5.6567 11.6103 11.6103 12.6013 12.6013 13.0904 13.0904 13.8156 13.8156 14.0540 14.0540 14.4039 14.4039 17.6688 17.6688 18.1629 18.1629 18.2050 18.2050 19.4162 19.4162 k = 0.2197 0.2197-0.0000 ( 1853 PWs) bands (ev): -62.0887 -62.0887 -32.6945 -32.6945 -28.8036 -28.8036 -28.7909 -28.7909 -26.2048 -26.2048 -7.1856 -7.1856 -5.8296 -5.8296 -5.6550 -5.6550 11.5389 11.5389 12.5812 12.5812 13.0259 13.0259 13.8365 13.8365 14.0546 14.0546 14.4201 14.4201 17.6865 17.6865 18.1777 18.1777 18.2618 18.2618 19.4300 19.4300 k = 0.2121 0.2121-0.0000 ( 1853 PWs) bands (ev): -62.0887 -62.0887 -32.6942 -32.6942 -28.8028 -28.8028 -28.7907 -28.7907 -26.2070 -26.2070 -7.1791 -7.1791 -5.8182 -5.8182 -5.6533 -5.6533 11.4650 11.4650 12.5594 12.5594 12.9628 12.9628 13.8571 13.8571 14.0578 14.0578 14.4339 14.4339 17.7007 17.7007 18.1778 18.1778 18.3457 18.3457 19.4518 19.4518 k = 0.2045 0.2045-0.0000 ( 1861 PWs) bands (ev): -62.0888 -62.0888 -32.6939 -32.6939 -28.8021 -28.8021 -28.7905 -28.7905 -26.2091 -26.2091 -7.1727 -7.1727 -5.8068 -5.8068 -5.6515 -5.6515 11.3891 11.3891 12.5360 12.5360 12.9011 12.9011 13.8773 13.8773 14.0630 14.0630 14.4451 14.4451 17.7130 17.7130 18.1756 18.1756 18.4425 18.4425 19.4816 19.4816 k = 0.1970 0.1970-0.0000 ( 1861 PWs) bands (ev): -62.0889 -62.0889 -32.6936 -32.6936 -28.8013 -28.8013 -28.7904 -28.7904 -26.2112 -26.2112 -7.1663 -7.1663 -5.7954 -5.7954 -5.6497 -5.6497 11.3119 11.3119 12.5113 12.5113 12.8409 12.8409 13.8972 13.8972 14.0700 14.0700 14.4538 14.4538 17.7246 17.7246 18.1728 18.1728 18.5491 18.5491 19.5194 19.5194 k = 0.1894 0.1894-0.0000 ( 1857 PWs) bands (ev): -62.0889 -62.0889 -32.6933 -32.6933 -28.8005 -28.8005 -28.7902 -28.7902 -26.2134 -26.2134 -7.1600 -7.1600 -5.7841 -5.7841 -5.6478 -5.6478 11.2339 11.2339 12.4856 12.4856 12.7822 12.7822 13.9166 13.9166 14.0783 14.0783 14.4599 14.4599 17.7365 17.7365 18.1697 18.1697 18.6639 18.6639 19.5649 19.5649 k = 0.1818 0.1818-0.0000 ( 1859 PWs) bands (ev): -62.0890 -62.0890 -32.6930 -32.6930 -28.7997 -28.7997 -28.7900 -28.7900 -26.2155 -26.2155 -7.1537 -7.1537 -5.7729 -5.7729 -5.6458 -5.6458 11.1558 11.1558 12.4590 12.4590 12.7253 12.7253 13.9355 13.9355 14.0874 14.0874 14.4636 14.4636 17.7491 17.7491 18.1664 18.1664 18.7856 18.7856 19.6182 19.6182 k = 0.1742 0.1742-0.0000 ( 1855 PWs) bands (ev): -62.0891 -62.0891 -32.6927 -32.6927 -28.7989 -28.7989 -28.7899 -28.7899 -26.2176 -26.2176 -7.1476 -7.1476 -5.7618 -5.7618 -5.6438 -5.6438 11.0781 11.0781 12.4318 12.4318 12.6701 12.6701 13.9540 13.9540 14.0972 14.0972 14.4652 14.4652 17.7627 17.7627 18.1631 18.1631 18.9134 18.9134 19.6789 19.6789 k = 0.1667 0.1667-0.0000 ( 1855 PWs) bands (ev): -62.0891 -62.0891 -32.6924 -32.6924 -28.7981 -28.7981 -28.7897 -28.7897 -26.2196 -26.2196 -7.1415 -7.1415 -5.7509 -5.7509 -5.6417 -5.6417 11.0011 11.0011 12.4041 12.4041 12.6167 12.6167 13.9718 13.9718 14.1072 14.1072 14.4645 14.4645 17.7776 17.7776 18.1598 18.1598 19.0465 19.0465 19.7468 19.7468 k = 0.1591 0.1591-0.0000 ( 1851 PWs) bands (ev): -62.0892 -62.0892 -32.6922 -32.6922 -28.7973 -28.7973 -28.7895 -28.7895 -26.2217 -26.2217 -7.1356 -7.1356 -5.7401 -5.7401 -5.6396 -5.6396 10.9253 10.9253 12.3762 12.3762 12.5652 12.5652 13.9891 13.9891 14.1173 14.1173 14.4621 14.4621 17.7938 17.7938 18.1565 18.1565 19.1843 19.1843 19.8216 19.8216 k = 0.1515 0.1515-0.0000 ( 1843 PWs) bands (ev): -62.0892 -62.0892 -32.6919 -32.6919 -28.7965 -28.7965 -28.7894 -28.7894 -26.2237 -26.2237 -7.1299 -7.1299 -5.7296 -5.7296 -5.6375 -5.6375 10.8511 10.8511 12.3484 12.3484 12.5157 12.5157 14.0057 14.0057 14.1272 14.1272 14.4582 14.4582 17.8112 17.8112 18.1534 18.1534 19.3260 19.3260 19.9030 19.9030 k = 0.1439 0.1439-0.0000 ( 1845 PWs) bands (ev): -62.0892 -62.0892 -32.6916 -32.6916 -28.7958 -28.7958 -28.7892 -28.7892 -26.2256 -26.2256 -7.1243 -7.1243 -5.7193 -5.7193 -5.6355 -5.6355 10.7788 10.7788 12.3207 12.3207 12.4681 12.4681 14.0216 14.0216 14.1366 14.1366 14.4527 14.4527 17.8298 17.8298 18.1503 18.1503 19.4711 19.4711 19.9907 19.9907 k = 0.1364 0.1364-0.0000 ( 1845 PWs) bands (ev): -62.0893 -62.0893 -32.6913 -32.6913 -28.7950 -28.7950 -28.7891 -28.7891 -26.2276 -26.2276 -7.1190 -7.1190 -5.7093 -5.7093 -5.6334 -5.6334 10.7087 10.7087 12.2932 12.2932 12.4227 12.4227 14.0368 14.0368 14.1454 14.1454 14.4465 14.4465 17.8493 17.8493 18.1475 18.1475 19.6188 19.6188 20.0842 20.0842 k = 0.1288 0.1288-0.0000 ( 1845 PWs) bands (ev): -62.0893 -62.0893 -32.6911 -32.6911 -28.7943 -28.7943 -28.7889 -28.7889 -26.2294 -26.2294 -7.1138 -7.1138 -5.6996 -5.6996 -5.6313 -5.6313 10.6411 10.6411 12.2663 12.2663 12.3793 12.3793 14.0512 14.0512 14.1535 14.1535 14.4396 14.4396 17.8697 17.8697 18.1448 18.1448 19.7687 19.7687 20.1833 20.1833 k = 0.1212 0.1212-0.0000 ( 1845 PWs) bands (ev): -62.0894 -62.0894 -32.6909 -32.6909 -28.7936 -28.7936 -28.7888 -28.7888 -26.2312 -26.2312 -7.1088 -7.1088 -5.6903 -5.6903 -5.6293 -5.6293 10.5762 10.5762 12.2401 12.2401 12.3381 12.3381 14.0648 14.0648 14.1606 14.1606 14.4324 14.4324 17.8907 17.8907 18.1422 18.1422 19.9200 19.9200 20.2874 20.2874 k = 0.1136 0.1136-0.0000 ( 1845 PWs) bands (ev): -62.0894 -62.0894 -32.6906 -32.6906 -28.7930 -28.7930 -28.7887 -28.7887 -26.2329 -26.2329 -7.1041 -7.1041 -5.6814 -5.6814 -5.6274 -5.6274 10.5143 10.5143 12.2147 12.2147 12.2992 12.2992 14.0775 14.0775 14.1668 14.1668 14.4251 14.4251 17.9121 17.9121 18.1399 18.1399 20.0720 20.0720 20.3961 20.3961 k = 0.1061 0.1061-0.0000 ( 1849 PWs) bands (ev): -62.0895 -62.0895 -32.6904 -32.6904 -28.7923 -28.7923 -28.7885 -28.7885 -26.2346 -26.2346 -7.0996 -7.0996 -5.6728 -5.6728 -5.6254 -5.6254 10.4555 10.4555 12.1903 12.1903 12.2625 12.2625 14.0894 14.0894 14.1719 14.1719 14.4181 14.4181 17.9337 17.9337 18.1376 18.1376 20.2241 20.2241 20.5090 20.5090 k = 0.0985 0.0985-0.0000 ( 1847 PWs) bands (ev): -62.0895 -62.0895 -32.6902 -32.6902 -28.7917 -28.7917 -28.7884 -28.7884 -26.2361 -26.2361 -7.0954 -7.0954 -5.6647 -5.6647 -5.6236 -5.6236 10.4000 10.4000 12.1669 12.1669 12.2282 12.2282 14.1004 14.1004 14.1758 14.1758 14.4116 14.4116 17.9552 17.9552 18.1357 18.1357 20.3754 20.3754 20.6254 20.6254 k = 0.0909 0.0909-0.0000 ( 1847 PWs) bands (ev): -62.0896 -62.0896 -32.6900 -32.6900 -28.7912 -28.7912 -28.7883 -28.7883 -26.2376 -26.2376 -7.0914 -7.0914 -5.6571 -5.6571 -5.6218 -5.6218 10.3481 10.3481 12.1448 12.1448 12.1962 12.1962 14.1105 14.1105 14.1785 14.1785 14.4059 14.4059 17.9764 17.9764 18.1339 18.1339 20.5251 20.5251 20.7449 20.7449 k = 0.0833 0.0833-0.0000 ( 1851 PWs) bands (ev): -62.0896 -62.0896 -32.6898 -32.6898 -28.7906 -28.7906 -28.7882 -28.7882 -26.2390 -26.2390 -7.0877 -7.0877 -5.6500 -5.6500 -5.6202 -5.6202 10.2997 10.2997 12.1241 12.1241 12.1667 12.1667 14.1197 14.1197 14.1800 14.1800 14.4009 14.4009 17.9969 17.9969 18.1322 18.1322 20.6724 20.6724 20.8665 20.8665 k = 0.0758 0.0758-0.0000 ( 1855 PWs) bands (ev): -62.0897 -62.0897 -32.6897 -32.6897 -28.7901 -28.7901 -28.7881 -28.7881 -26.2402 -26.2402 -7.0843 -7.0843 -5.6434 -5.6434 -5.6186 -5.6186 10.2552 10.2552 12.1048 12.1048 12.1395 12.1395 14.1280 14.1280 14.1804 14.1804 14.3969 14.3969 18.0167 18.0167 18.1308 18.1308 20.8165 20.8165 20.9893 20.9893 k = 0.0682 0.0682-0.0000 ( 1847 PWs) bands (ev): -62.0897 -62.0897 -32.6895 -32.6895 -28.7897 -28.7897 -28.7880 -28.7880 -26.2414 -26.2414 -7.0812 -7.0812 -5.6373 -5.6373 -5.6172 -5.6172 10.2145 10.2145 12.0872 12.0872 12.1149 12.1149 14.1355 14.1355 14.1800 14.1800 14.3939 14.3939 18.0354 18.0354 18.1295 18.1295 20.9564 20.9564 21.1118 21.1118 k = 0.0606 0.0606-0.0000 ( 1847 PWs) bands (ev): -62.0897 -62.0897 -32.6894 -32.6894 -28.7892 -28.7892 -28.7879 -28.7879 -26.2425 -26.2425 -7.0784 -7.0784 -5.6318 -5.6318 -5.6159 -5.6159 10.1779 10.1779 12.0711 12.0711 12.0928 12.0928 14.1421 14.1421 14.1787 14.1787 14.3917 14.3917 18.0528 18.0528 18.1284 18.1284 21.0912 21.0912 21.2324 21.2324 k = 0.0530 0.0530-0.0000 ( 1841 PWs) bands (ev): -62.0897 -62.0897 -32.6893 -32.6893 -28.7889 -28.7889 -28.7879 -28.7879 -26.2434 -26.2434 -7.0759 -7.0759 -5.6269 -5.6269 -5.6147 -5.6147 10.1453 10.1453 12.0568 12.0568 12.0733 12.0733 14.1478 14.1478 14.1770 14.1770 14.3902 14.3902 18.0688 18.0688 18.1275 18.1275 21.2200 21.2200 21.3486 21.3486 k = 0.0455 0.0455-0.0000 ( 1843 PWs) bands (ev): -62.0897 -62.0897 -32.6892 -32.6892 -28.7885 -28.7885 -28.7878 -28.7878 -26.2442 -26.2442 -7.0737 -7.0737 -5.6227 -5.6227 -5.6136 -5.6136 10.1170 10.1170 12.0442 12.0442 12.0563 12.0563 14.1528 14.1528 14.1748 14.1748 14.3893 14.3893 18.0830 18.0830 18.1267 18.1267 21.3412 21.3412 21.4577 21.4577 k = 0.0379 0.0379-0.0000 ( 1851 PWs) bands (ev): -62.0898 -62.0898 -32.6891 -32.6891 -28.7883 -28.7883 -28.7877 -28.7877 -26.2449 -26.2449 -7.0718 -7.0718 -5.6190 -5.6190 -5.6127 -5.6127 10.0928 10.0928 12.0335 12.0335 12.0417 12.0417 14.1569 14.1569 14.1725 14.1725 14.3887 14.3887 18.0954 18.0954 18.1260 18.1260 21.4530 21.4530 21.5561 21.5561 k = 0.0303 0.0303-0.0000 ( 1847 PWs) bands (ev): -62.0898 -62.0898 -32.6890 -32.6890 -28.7880 -28.7880 -28.7877 -28.7877 -26.2455 -26.2455 -7.0703 -7.0703 -5.6160 -5.6160 -5.6120 -5.6120 10.0730 10.0730 12.0247 12.0247 12.0299 12.0299 14.1602 14.1602 14.1705 14.1705 14.3885 14.3885 18.1058 18.1058 18.1255 18.1255 21.5528 21.5528 21.6391 21.6391 k = 0.0227 0.0227-0.0000 ( 1845 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7879 -28.7879 -28.7877 -28.7877 -26.2460 -26.2460 -7.0691 -7.0691 -5.6137 -5.6137 -5.6114 -5.6114 10.0575 10.0575 12.0178 12.0178 12.0207 12.0207 14.1628 14.1628 14.1687 14.1687 14.3885 14.3885 18.1140 18.1140 18.1251 18.1251 21.6371 21.6371 21.7003 21.7003 k = 0.0152 0.0152-0.0000 ( 1845 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7877 -28.7877 -28.7876 -28.7876 -26.2463 -26.2463 -7.0683 -7.0683 -5.6120 -5.6120 -5.6110 -5.6110 10.0465 10.0465 12.0128 12.0128 12.0141 12.0141 14.1647 14.1647 14.1673 14.1673 14.3886 14.3886 18.1199 18.1199 18.1248 18.1248 21.7019 21.7019 21.7363 21.7363 k = 0.0076 0.0076-0.0000 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2465 -26.2465 -7.0677 -7.0677 -5.6110 -5.6110 -5.6107 -5.6107 10.0398 10.0398 12.0099 12.0099 12.0102 12.0102 14.1658 14.1658 14.1665 14.1665 14.3887 14.3887 18.1235 18.1235 18.1248 18.1248 21.7430 21.7430 21.7526 21.7526 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2466 -26.2466 -7.0676 -7.0676 -5.6106 -5.6106 -5.6106 -5.6106 10.0376 10.0376 12.0089 12.0089 12.0089 12.0089 14.1662 14.1662 14.1662 14.1662 14.3887 14.3887 18.1247 18.1247 18.1247 18.1247 21.7571 21.7571 21.7571 21.7571 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2466 -26.2466 -7.0676 -7.0676 -5.6106 -5.6106 -5.6106 -5.6106 10.0376 10.0376 12.0089 12.0089 12.0089 12.0089 14.1662 14.1662 14.1662 14.1662 14.3887 14.3887 18.1247 18.1247 18.1247 18.1247 21.7571 21.7571 21.7571 21.7571 k = 0.0063 0.0062 0.0062 ( 1839 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7876 -28.7876 -28.7876 -28.7876 -26.2465 -26.2465 -7.0678 -7.0678 -5.6109 -5.6109 -5.6108 -5.6108 10.0399 10.0399 12.0100 12.0100 12.0101 12.0101 14.1658 14.1658 14.1665 14.1665 14.3887 14.3887 18.1241 18.1241 18.1241 18.1241 21.7424 21.7424 21.7528 21.7528 k = 0.0125 0.0125 0.0125 ( 1845 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7877 -28.7877 -28.7877 -28.7877 -26.2463 -26.2463 -7.0683 -7.0683 -5.6117 -5.6117 -5.6114 -5.6114 10.0467 10.0467 12.0135 12.0135 12.0136 12.0136 14.1645 14.1645 14.1674 14.1674 14.3886 14.3886 18.1222 18.1222 18.1224 18.1224 21.6977 21.6977 21.7398 21.7398 k = 0.0187 0.0187 0.0187 ( 1845 PWs) bands (ev): -62.0898 -62.0898 -32.6889 -32.6889 -28.7878 -28.7878 -28.7877 -28.7877 -26.2460 -26.2460 -7.0692 -7.0692 -5.6129 -5.6129 -5.6122 -5.6122 10.0580 10.0580 12.0194 12.0194 12.0195 12.0195 14.1625 14.1625 14.1690 14.1690 14.3886 14.3886 18.1192 18.1192 18.1197 18.1197 21.6235 21.6235 21.7186 21.7186 k = 0.0250 0.0250 0.0250 ( 1851 PWs) bands (ev): -62.0898 -62.0898 -32.6890 -32.6890 -28.7880 -28.7880 -28.7878 -28.7878 -26.2455 -26.2455 -7.0704 -7.0704 -5.6147 -5.6147 -5.6135 -5.6135 10.0737 10.0737 12.0276 12.0276 12.0278 12.0278 14.1596 14.1596 14.1709 14.1709 14.3886 14.3886 18.1150 18.1150 18.1160 18.1160 21.5238 21.5238 21.6894 21.6894 k = 0.0312 0.0312 0.0312 ( 1851 PWs) bands (ev): -62.0898 -62.0898 -32.6891 -32.6891 -28.7881 -28.7881 -28.7879 -28.7879 -26.2449 -26.2449 -7.0719 -7.0719 -5.6169 -5.6169 -5.6151 -5.6151 10.0940 10.0940 12.0381 12.0381 12.0384 12.0384 14.1559 14.1559 14.1731 14.1731 14.3889 14.3889 18.1098 18.1098 18.1114 18.1114 21.4045 21.4045 21.6529 21.6529 k = 0.0375 0.0375 0.0375 ( 1845 PWs) bands (ev): -62.0897 -62.0897 -32.6892 -32.6892 -28.7883 -28.7883 -28.7880 -28.7880 -26.2442 -26.2442 -7.0738 -7.0738 -5.6196 -5.6196 -5.6171 -5.6171 10.1186 10.1186 12.0509 12.0509 12.0513 12.0513 14.1514 14.1514 14.1753 14.1753 14.3897 14.3897 18.1038 18.1038 18.1060 18.1060 21.2708 21.2708 21.6096 21.6096 k = 0.0437 0.0437 0.0437 ( 1845 PWs) bands (ev): -62.0897 -62.0897 -32.6893 -32.6893 -28.7886 -28.7886 -28.7881 -28.7881 -26.2433 -26.2433 -7.0760 -7.0760 -5.6227 -5.6227 -5.6194 -5.6194 10.1475 10.1475 12.0660 12.0660 12.0665 12.0665 14.1460 14.1460 14.1770 14.1770 14.3910 14.3910 18.0969 18.0969 18.0999 18.0999 21.1267 21.1267 21.5601 21.5601 k = 0.0500 0.0500 0.0500 ( 1848 PWs) bands (ev): -62.0897 -62.0897 -32.6894 -32.6894 -28.7889 -28.7889 -28.7883 -28.7883 -26.2424 -26.2424 -7.0785 -7.0785 -5.6264 -5.6264 -5.6220 -5.6220 10.1807 10.1807 12.0833 12.0833 12.0839 12.0839 14.1398 14.1398 14.1780 14.1780 14.3930 14.3930 18.0894 18.0894 18.0932 18.0932 20.9756 20.9756 21.5052 21.5052 k = 0.0563 0.0562 0.0562 ( 1854 PWs) bands (ev): -62.0897 -62.0897 -32.6896 -32.6896 -28.7893 -28.7893 -28.7885 -28.7885 -26.2413 -26.2413 -7.0814 -7.0814 -5.6304 -5.6304 -5.6250 -5.6250 10.2181 10.2181 12.1027 12.1027 12.1035 12.1035 14.1328 14.1328 14.1780 14.1780 14.3960 14.3960 18.0813 18.0813 18.0862 18.0862 20.8202 20.8202 21.4453 21.4453 k = 0.0625 0.0625 0.0625 ( 1848 PWs) bands (ev): -62.0896 -62.0896 -32.6897 -32.6897 -28.7896 -28.7896 -28.7887 -28.7887 -26.2401 -26.2401 -7.0845 -7.0845 -5.6349 -5.6349 -5.6283 -5.6283 10.2595 10.2595 12.1243 12.1243 12.1253 12.1253 14.1250 14.1250 14.1768 14.1768 14.4000 14.4000 18.0730 18.0730 18.0789 18.0789 20.6625 20.6625 21.3811 21.3811 k = 0.0688 0.0688 0.0687 ( 1854 PWs) bands (ev): -62.0896 -62.0896 -32.6899 -32.6899 -28.7900 -28.7900 -28.7889 -28.7889 -26.2388 -26.2388 -7.0880 -7.0880 -5.6397 -5.6397 -5.6320 -5.6320 10.3049 10.3049 12.1479 12.1479 12.1491 12.1491 14.1162 14.1162 14.1739 14.1739 14.4050 14.4050 18.0645 18.0645 18.0715 18.0715 20.5043 20.5043 21.3132 21.3132 k = 0.0750 0.0750 0.0750 ( 1854 PWs) bands (ev): -62.0896 -62.0896 -32.6901 -32.6901 -28.7904 -28.7904 -28.7891 -28.7891 -26.2374 -26.2374 -7.0917 -7.0917 -5.6449 -5.6449 -5.6359 -5.6359 10.3542 10.3542 12.1736 12.1736 12.1749 12.1749 14.1066 14.1066 14.1693 14.1693 14.4110 14.4110 18.0560 18.0560 18.0642 18.0642 20.3470 20.3470 21.2419 21.2419 k = 0.0813 0.0812 0.0812 ( 1842 PWs) bands (ev): -62.0895 -62.0895 -32.6902 -32.6902 -28.7909 -28.7909 -28.7894 -28.7894 -26.2359 -26.2359 -7.0957 -7.0957 -5.6504 -5.6504 -5.6402 -5.6402 10.4073 10.4073 12.2013 12.2013 12.2028 12.2028 14.0963 14.0963 14.1630 14.1630 14.4179 14.4179 18.0478 18.0478 18.0572 18.0572 20.1920 20.1920 21.1679 21.1680 k = 0.0875 0.0875 0.0875 ( 1845 PWs) bands (ev): -62.0895 -62.0895 -32.6905 -32.6905 -28.7913 -28.7913 -28.7897 -28.7897 -26.2343 -26.2343 -7.0999 -7.0999 -5.6563 -5.6563 -5.6447 -5.6447 10.4639 10.4639 12.2309 12.2309 12.2325 12.2325 14.0849 14.0849 14.1548 14.1548 14.4249 14.4249 18.0400 18.0400 18.0507 18.0507 20.0404 20.0404 21.0810 21.0810 k = 0.0938 0.0937 0.0937 ( 1845 PWs) bands (ev): -62.0894 -62.0894 -32.6907 -32.6907 -28.7918 -28.7918 -28.7900 -28.7900 -26.2326 -26.2326 -7.1044 -7.1044 -5.6625 -5.6625 -5.6496 -5.6496 10.5240 10.5240 12.2622 12.2622 12.2641 12.2641 14.0728 14.0728 14.1448 14.1448 14.4319 14.4319 18.0328 18.0328 18.0447 18.0447 19.8934 19.8934 20.9954 20.9954 k = 0.1000 0.1000 0.1000 ( 1845 PWs) bands (ev): -62.0894 -62.0894 -32.6909 -32.6909 -28.7923 -28.7923 -28.7903 -28.7903 -26.2308 -26.2308 -7.1091 -7.1091 -5.6689 -5.6689 -5.6547 -5.6547 10.5875 10.5875 12.2954 12.2954 12.2973 12.2973 14.0598 14.0598 14.1331 14.1331 14.4384 14.4384 18.0263 18.0263 18.0395 18.0395 19.7519 19.7519 20.9085 20.9085 k = 0.1062 0.1062 0.1062 ( 1845 PWs) bands (ev): -62.0893 -62.0893 -32.6912 -32.6912 -28.7929 -28.7929 -28.7906 -28.7906 -26.2290 -26.2290 -7.1141 -7.1141 -5.6756 -5.6756 -5.6602 -5.6602 10.6542 10.6542 12.3302 12.3302 12.3323 12.3323 14.0460 14.0460 14.1199 14.1199 14.4439 14.4439 18.0208 18.0208 18.0352 18.0352 19.6170 19.6170 20.8207 20.8207 k = 0.1125 0.1125 0.1125 ( 1839 PWs) bands (ev): -62.0893 -62.0893 -32.6914 -32.6914 -28.7934 -28.7934 -28.7909 -28.7909 -26.2271 -26.2271 -7.1192 -7.1192 -5.6825 -5.6825 -5.6658 -5.6658 10.7239 10.7239 12.3665 12.3665 12.3688 12.3688 14.0316 14.0316 14.1054 14.1054 14.4477 14.4477 18.0165 18.0165 18.0320 18.0320 19.4896 19.4896 20.7323 20.7323 k = 0.1187 0.1187 0.1187 ( 1839 PWs) bands (ev): -62.0892 -62.0892 -32.6917 -32.6917 -28.7939 -28.7939 -28.7913 -28.7913 -26.2251 -26.2251 -7.1245 -7.1245 -5.6896 -5.6896 -5.6718 -5.6718 10.7965 10.7965 12.4044 12.4044 12.4067 12.4067 14.0162 14.0162 14.0894 14.0894 14.4494 14.4494 18.0134 18.0134 18.0299 18.0299 19.3706 19.3706 20.6434 20.6434 k = 0.1250 0.1250 0.1250 ( 1851 PWs) bands (ev): -62.0892 -62.0892 -32.6920 -32.6920 -28.7945 -28.7945 -28.7917 -28.7917 -26.2231 -26.2231 -7.1301 -7.1301 -5.6969 -5.6969 -5.6780 -5.6780 10.8718 10.8718 12.4435 12.4435 12.4460 12.4460 14.0001 14.0001 14.0721 14.0721 14.4482 14.4482 18.0116 18.0116 18.0291 18.0291 19.2609 19.2609 20.5544 20.5544 k = 0.1313 0.1313 0.1312 ( 1845 PWs) bands (ev): -62.0891 -62.0891 -32.6923 -32.6923 -28.7951 -28.7951 -28.7921 -28.7921 -26.2210 -26.2210 -7.1358 -7.1358 -5.7044 -5.7044 -5.6844 -5.6844 10.9497 10.9497 12.4841 12.4841 12.4866 12.4866 13.9834 13.9834 14.0538 14.0538 14.4440 14.4440 18.0113 18.0113 18.0295 18.0295 19.1613 19.1613 20.4656 20.4656 k = 0.1375 0.1375 0.1375 ( 1845 PWs) bands (ev): -62.0891 -62.0891 -32.6926 -32.6926 -28.7956 -28.7956 -28.7925 -28.7925 -26.2188 -26.2188 -7.1416 -7.1416 -5.7119 -5.7119 -5.6910 -5.6910 11.0300 11.0300 12.5258 12.5258 12.5284 12.5284 13.9659 13.9659 14.0345 14.0345 14.4360 14.4360 18.0126 18.0126 18.0314 18.0314 19.0726 19.0726 20.3771 20.3771 k = 0.1437 0.1437 0.1437 ( 1845 PWs) bands (ev): -62.0890 -62.0890 -32.6929 -32.6929 -28.7962 -28.7962 -28.7929 -28.7929 -26.2166 -26.2166 -7.1476 -7.1476 -5.7196 -5.7196 -5.6979 -5.6979 11.1125 11.1125 12.5685 12.5685 12.5712 12.5712 13.9479 13.9479 14.0142 14.0142 14.4238 14.4238 18.0155 18.0155 18.0345 18.0345 18.9954 18.9954 20.2892 20.2892 k = 0.1500 0.1500 0.1500 ( 1851 PWs) bands (ev): -62.0889 -62.0889 -32.6932 -32.6932 -28.7968 -28.7968 -28.7933 -28.7933 -26.2144 -26.2144 -7.1537 -7.1537 -5.7274 -5.7274 -5.7049 -5.7049 11.1970 11.1970 12.6122 12.6122 12.6149 12.6149 13.9293 13.9293 13.9930 13.9930 14.4071 14.4071 18.0200 18.0200 18.0389 18.0389 18.9303 18.9303 20.2022 20.2022 k = 0.1562 0.1562 0.1562 ( 1845 PWs) bands (ev): -62.0889 -62.0889 -32.6935 -32.6935 -28.7973 -28.7973 -28.7938 -28.7938 -26.2122 -26.2122 -7.1599 -7.1599 -5.7352 -5.7352 -5.7122 -5.7122 11.2834 11.2834 12.6567 12.6567 12.6594 12.6594 13.9102 13.9102 13.9713 13.9713 14.3859 14.3859 18.0260 18.0260 18.0446 18.0446 18.8777 18.8777 20.1165 20.1165 k = 0.1625 0.1625 0.1625 ( 1845 PWs) bands (ev): -62.0888 -62.0888 -32.6938 -32.6938 -28.7979 -28.7979 -28.7942 -28.7942 -26.2099 -26.2099 -7.1662 -7.1662 -5.7431 -5.7431 -5.7196 -5.7196 11.3715 11.3715 12.7019 12.7019 12.7046 12.7046 13.8908 13.8908 13.9488 13.9488 14.3597 14.3597 18.0334 18.0334 18.0512 18.0512 18.8380 18.8380 20.0324 20.0324 k = 0.1688 0.1687 0.1687 ( 1845 PWs) bands (ev): -62.0887 -62.0887 -32.6942 -32.6942 -28.7985 -28.7985 -28.7947 -28.7947 -26.2076 -26.2076 -7.1725 -7.1725 -5.7511 -5.7511 -5.7271 -5.7271 11.4611 11.4611 12.7476 12.7476 12.7504 12.7504 13.8710 13.8710 13.9259 13.9259 14.3286 14.3286 18.0422 18.0422 18.0587 18.0587 18.8112 18.8112 19.9502 19.9502 k = 0.1750 0.1750 0.1750 ( 1845 PWs) bands (ev): -62.0886 -62.0886 -32.6945 -32.6945 -28.7990 -28.7990 -28.7952 -28.7952 -26.2053 -26.2053 -7.1790 -7.1790 -5.7590 -5.7590 -5.7349 -5.7349 11.5520 11.5520 12.7938 12.7938 12.7967 12.7967 13.8510 13.8510 13.9025 13.9025 14.2929 14.2929 18.0520 18.0520 18.0667 18.0667 18.7974 18.7974 19.8706 19.8706 k = 0.1812 0.1812 0.1812 ( 1857 PWs) bands (ev): -62.0886 -62.0886 -32.6949 -32.6949 -28.7996 -28.7996 -28.7956 -28.7956 -26.2030 -26.2030 -7.1856 -7.1856 -5.7670 -5.7670 -5.7427 -5.7427 11.6441 11.6441 12.8402 12.8402 12.8432 12.8432 13.8308 13.8308 13.8786 13.8786 14.2528 14.2528 18.0625 18.0625 18.0747 18.0747 18.7963 18.7963 19.7940 19.7940 k = 0.1875 0.1875 0.1875 ( 1851 PWs) bands (ev): -62.0885 -62.0885 -32.6952 -32.6952 -28.8001 -28.8001 -28.7961 -28.7961 -26.2006 -26.2006 -7.1922 -7.1922 -5.7749 -5.7749 -5.7507 -5.7507 11.7372 11.7372 12.8868 12.8868 12.8900 12.8900 13.8106 13.8106 13.8546 13.8546 14.2089 14.2089 18.0733 18.0733 18.0823 18.0823 18.8078 18.8078 19.7212 19.7212 k = 0.1938 0.1937 0.1937 ( 1851 PWs) bands (ev): -62.0884 -62.0884 -32.6956 -32.6956 -28.8007 -28.8007 -28.7966 -28.7966 -26.1983 -26.1983 -7.1988 -7.1988 -5.7829 -5.7829 -5.7588 -5.7588 11.8310 11.8310 12.9333 12.9333 12.9368 12.9368 13.7905 13.7905 13.8304 13.8304 14.1617 14.1617 18.0838 18.0838 18.0888 18.0888 18.8315 18.8315 19.6528 19.6528 k = 0.2000 0.2000 0.2000 ( 1851 PWs) bands (ev): -62.0884 -62.0884 -32.6959 -32.6959 -28.8012 -28.8012 -28.7971 -28.7971 -26.1959 -26.1959 -7.2055 -7.2055 -5.7907 -5.7907 -5.7670 -5.7670 11.9254 11.9254 12.9795 12.9795 12.9835 12.9835 13.7705 13.7705 13.8061 13.8061 14.1119 14.1119 18.0933 18.0933 18.0933 18.0933 18.8667 18.8667 19.5900 19.5900 k = 0.2062 0.2062 0.2062 ( 1851 PWs) bands (ev): -62.0883 -62.0883 -32.6963 -32.6963 -28.8017 -28.8017 -28.7977 -28.7977 -26.1936 -26.1936 -7.2122 -7.2122 -5.7986 -5.7986 -5.7752 -5.7752 12.0202 12.0202 13.0253 13.0253 13.0299 13.0299 13.7510 13.7510 13.7816 13.7816 14.0603 14.0603 18.0948 18.0948 18.1008 18.1008 18.9129 18.9129 19.5336 19.5336 k = 0.2125 0.2125 0.2125 ( 1845 PWs) bands (ev): -62.0882 -62.0882 -32.6966 -32.6966 -28.8022 -28.8022 -28.7982 -28.7982 -26.1913 -26.1913 -7.2189 -7.2189 -5.8064 -5.8064 -5.7836 -5.7836 12.1152 12.1152 13.0704 13.0704 13.0759 13.0759 13.7320 13.7320 13.7572 13.7572 14.0079 14.0079 18.0924 18.0924 18.1056 18.1056 18.9695 18.9695 19.4850 19.4850 k = 0.2188 0.2187 0.2187 ( 1845 PWs) bands (ev): -62.0881 -62.0881 -32.6970 -32.6970 -28.8026 -28.8026 -28.7987 -28.7987 -26.1889 -26.1889 -7.2256 -7.2256 -5.8142 -5.8142 -5.7920 -5.7920 12.2101 12.2101 13.1143 13.1143 13.1213 13.1213 13.7135 13.7135 13.7327 13.7327 13.9556 13.9556 18.0850 18.0850 18.1062 18.1062 19.0357 19.0357 19.4454 19.4454 k = 0.2250 0.2250 0.2250 ( 1857 PWs) bands (ev): -62.0881 -62.0881 -32.6974 -32.6974 -28.8031 -28.8031 -28.7992 -28.7992 -26.1866 -26.1866 -7.2324 -7.2324 -5.8219 -5.8219 -5.8005 -5.8005 12.3047 12.3047 13.1567 13.1567 13.1657 13.1657 13.6959 13.6959 13.7080 13.7080 13.9045 13.9045 18.0713 18.0713 18.1017 18.1017 19.1105 19.1105 19.4160 19.4160 k = 0.2313 0.2312 0.2312 ( 1848 PWs) bands (ev): -62.0880 -62.0880 -32.6977 -32.6977 -28.8036 -28.8036 -28.7998 -28.7998 -26.1843 -26.1843 -7.2391 -7.2391 -5.8295 -5.8295 -5.8089 -5.8089 12.3986 12.3986 13.1973 13.1973 13.2092 13.2092 13.6798 13.6798 13.6835 13.6835 13.8563 13.8563 18.0509 18.0509 18.0910 18.0910 19.1927 19.1927 19.3984 19.3984 k = 0.2375 0.2375 0.2375 ( 1848 PWs) bands (ev): -62.0879 -62.0879 -32.6981 -32.6981 -28.8040 -28.8040 -28.8003 -28.8003 -26.1820 -26.1820 -7.2458 -7.2458 -5.8371 -5.8371 -5.8174 -5.8174 12.4915 12.4915 13.2349 13.2349 13.2510 13.2510 13.6589 13.6589 13.6652 13.6652 13.8121 13.8121 18.0228 18.0228 18.0729 18.0729 19.2787 19.2787 19.3961 19.3961 k = 0.2437 0.2437 0.2437 ( 1854 PWs) bands (ev): -62.0878 -62.0878 -32.6985 -32.6985 -28.8045 -28.8045 -28.8008 -28.8008 -26.1797 -26.1797 -7.2526 -7.2526 -5.8446 -5.8446 -5.8260 -5.8260 12.5827 12.5827 13.2686 13.2686 13.2907 13.2907 13.6349 13.6349 13.6526 13.6526 13.7737 13.7737 17.9871 17.9871 18.0472 18.0472 19.3508 19.3508 19.4143 19.4143 k = 0.2500 0.2500 0.2500 ( 1854 PWs) bands (ev): -62.0878 -62.0878 -32.6988 -32.6988 -28.8049 -28.8049 -28.8014 -28.8014 -26.1775 -26.1775 -7.2593 -7.2593 -5.8521 -5.8521 -5.8345 -5.8345 12.6715 12.6715 13.2970 13.2970 13.3276 13.3276 13.6126 13.6126 13.6432 13.6432 13.7424 13.7424 17.9440 17.9440 18.0135 18.0135 19.3862 19.3862 19.4218 19.4218 k = 0.2562 0.2562 0.2562 ( 1854 PWs) bands (ev): -62.0877 -62.0877 -32.6992 -32.6992 -28.8053 -28.8053 -28.8019 -28.8019 -26.1752 -26.1752 -7.2659 -7.2659 -5.8595 -5.8595 -5.8430 -5.8430 12.7569 12.7569 13.3188 13.3188 13.3604 13.3604 13.5936 13.5936 13.6379 13.6379 13.7195 13.7195 17.8941 17.8941 17.9722 17.9722 19.4158 19.4158 19.4407 19.4407 k = 0.2625 0.2625 0.2625 ( 1842 PWs) bands (ev): -62.0876 -62.0876 -32.6995 -32.6995 -28.8057 -28.8057 -28.8024 -28.8024 -26.1730 -26.1730 -7.2726 -7.2726 -5.8667 -5.8667 -5.8514 -5.8514 12.8370 12.8370 13.3337 13.3337 13.3880 13.3880 13.5790 13.5790 13.6381 13.6381 13.7062 13.7062 17.8381 17.8381 17.9238 17.9238 19.4520 19.4520 19.4703 19.4703 k = 0.2687 0.2687 0.2687 ( 1842 PWs) bands (ev): -62.0875 -62.0875 -32.6999 -32.6999 -28.8061 -28.8061 -28.8029 -28.8029 -26.1708 -26.1708 -7.2792 -7.2792 -5.8740 -5.8740 -5.8598 -5.8598 12.9087 12.9087 13.3440 13.3440 13.4087 13.4087 13.5685 13.5685 13.6453 13.6453 13.7035 13.7035 17.7768 17.7768 17.8691 17.8691 19.4961 19.4961 19.5098 19.5098 k = 0.2750 0.2750 0.2750 ( 1842 PWs) bands (ev): -62.0874 -62.0874 -32.7002 -32.7002 -28.8064 -28.8064 -28.8035 -28.8035 -26.1686 -26.1686 -7.2857 -7.2857 -5.8812 -5.8812 -5.8682 -5.8682 12.9678 12.9678 13.3559 13.3559 13.4220 13.4220 13.5605 13.5605 13.6600 13.6600 13.7115 13.7115 17.7110 17.7110 17.8089 17.8089 19.5478 19.5478 19.5583 19.5583 k = 0.2812 0.2812 0.2812 ( 1842 PWs) bands (ev): -62.0873 -62.0873 -32.7006 -32.7006 -28.8068 -28.8068 -28.8040 -28.8040 -26.1664 -26.1664 -7.2922 -7.2922 -5.8882 -5.8882 -5.8765 -5.8765 13.0094 13.0094 13.3763 13.3763 13.4286 13.4286 13.5548 13.5548 13.6817 13.6817 13.7288 13.7288 17.6415 17.6415 17.7442 17.7442 19.6065 19.6065 19.6149 19.6149 k = 0.2875 0.2875 0.2875 ( 1848 PWs) bands (ev): -62.0873 -62.0873 -32.7009 -32.7009 -28.8072 -28.8072 -28.8045 -28.8045 -26.1643 -26.1643 -7.2987 -7.2987 -5.8953 -5.8953 -5.8847 -5.8847 13.0311 13.0311 13.4075 13.4075 13.4301 13.4301 13.5537 13.5537 13.7087 13.7087 13.7528 13.7528 17.5690 17.5690 17.6755 17.6755 19.6715 19.6715 19.6787 19.6787 k = 0.2938 0.2937 0.2937 ( 1848 PWs) bands (ev): -62.0872 -62.0872 -32.7013 -32.7013 -28.8075 -28.8075 -28.8050 -28.8050 -26.1622 -26.1622 -7.3051 -7.3051 -5.9022 -5.9022 -5.8928 -5.8928 13.0363 13.0363 13.4283 13.4283 13.4410 13.4410 13.5652 13.5652 13.7395 13.7395 13.7812 13.7812 17.4941 17.4941 17.6038 17.6038 19.7424 19.7424 19.7490 19.7490 k = 0.3000 0.3000 0.3000 ( 1833 PWs) bands (ev): -62.0871 -62.0871 -32.7016 -32.7016 -28.8079 -28.8079 -28.8055 -28.8055 -26.1601 -26.1601 -7.3114 -7.3114 -5.9091 -5.9091 -5.9008 -5.9008 13.0307 13.0307 13.4246 13.4246 13.4616 13.4616 13.6003 13.6003 13.7727 13.7727 13.8126 13.8126 17.4173 17.4173 17.5295 17.5295 19.8185 19.8185 19.8251 19.8251 k = 0.3063 0.3062 0.3062 ( 1836 PWs) bands (ev): -62.0870 -62.0870 -32.7019 -32.7019 -28.8082 -28.8082 -28.8060 -28.8060 -26.1580 -26.1580 -7.3177 -7.3177 -5.9159 -5.9159 -5.9087 -5.9087 13.0195 13.0195 13.4198 13.4198 13.4670 13.4670 13.6571 13.6571 13.8072 13.8072 13.8455 13.8455 17.3390 17.3390 17.4532 17.4532 19.8993 19.8993 19.9064 19.9064 k = 0.3125 0.3125 0.3125 ( 1836 PWs) bands (ev): -62.0869 -62.0869 -32.7023 -32.7023 -28.8085 -28.8085 -28.8065 -28.8065 -26.1560 -26.1560 -7.3239 -7.3239 -5.9226 -5.9226 -5.9165 -5.9165 13.0064 13.0064 13.4145 13.4145 13.4652 13.4652 13.7247 13.7247 13.8425 13.8425 13.8795 13.8795 17.2595 17.2595 17.3752 17.3752 19.9844 19.9844 19.9923 19.9923 k = 0.3187 0.3187 0.3187 ( 1830 PWs) bands (ev): -62.0868 -62.0868 -32.7026 -32.7026 -28.8089 -28.8089 -28.8070 -28.8070 -26.1540 -26.1540 -7.3300 -7.3300 -5.9292 -5.9292 -5.9241 -5.9241 12.9935 12.9935 13.4094 13.4094 13.4610 13.4610 13.7966 13.7966 13.8783 13.8783 13.9141 13.9141 17.1792 17.1792 17.2959 17.2959 20.0734 20.0734 20.0824 20.0824 k = 0.3250 0.3250 0.3250 ( 1830 PWs) bands (ev): -62.0868 -62.0868 -32.7029 -32.7029 -28.8092 -28.8092 -28.8074 -28.8074 -26.1520 -26.1520 -7.3360 -7.3360 -5.9358 -5.9358 -5.9316 -5.9316 12.9819 12.9819 13.4045 13.4045 13.4563 13.4563 13.8696 13.8696 13.9144 13.9144 13.9493 13.9493 17.0983 17.0983 17.2157 17.2157 20.1659 20.1659 20.1762 20.1762 k = 0.3312 0.3312 0.3312 ( 1830 PWs) bands (ev): -62.0867 -62.0867 -32.7032 -32.7032 -28.8095 -28.8095 -28.8079 -28.8079 -26.1500 -26.1500 -7.3419 -7.3419 -5.9422 -5.9422 -5.9389 -5.9389 12.9726 12.9726 13.4001 13.4001 13.4519 13.4519 13.9412 13.9412 13.9505 13.9505 13.9858 13.9858 17.0171 17.0171 17.1348 17.1348 20.2617 20.2617 20.2734 20.2734 k = 0.3375 0.3375 0.3375 ( 1830 PWs) bands (ev): -62.0866 -62.0866 -32.7035 -32.7035 -28.8098 -28.8098 -28.8083 -28.8083 -26.1481 -26.1481 -7.3477 -7.3477 -5.9486 -5.9486 -5.9461 -5.9461 12.9661 12.9661 13.3963 13.3963 13.4480 13.4480 13.9866 13.9866 14.0038 14.0038 14.0303 14.0303 16.9358 16.9358 17.0535 17.0535 20.3604 20.3604 20.3736 20.3736 k = 0.3438 0.3437 0.3437 ( 1836 PWs) bands (ev): -62.0866 -62.0866 -32.7038 -32.7038 -28.8101 -28.8101 -28.8088 -28.8088 -26.1463 -26.1463 -7.3534 -7.3534 -5.9549 -5.9549 -5.9531 -5.9531 12.9626 12.9626 13.3931 13.3931 13.4449 13.4449 14.0227 14.0227 14.0460 14.0460 14.0935 14.0935 16.8545 16.8545 16.9718 16.9718 20.4617 20.4617 20.4764 20.4764 k = 0.3500 0.3500 0.3500 ( 1836 PWs) bands (ev): -62.0865 -62.0865 -32.7041 -32.7041 -28.8104 -28.8104 -28.8092 -28.8092 -26.1445 -26.1445 -7.3589 -7.3589 -5.9610 -5.9610 -5.9599 -5.9599 12.9625 12.9625 13.3907 13.3907 13.4427 13.4427 14.0589 14.0589 14.0817 14.0817 14.1611 14.1611 16.7734 16.7734 16.8901 16.8901 20.5654 20.5654 20.5817 20.5817 k = 0.3563 0.3562 0.3562 ( 1836 PWs) bands (ev): -62.0864 -62.0864 -32.7044 -32.7044 -28.8107 -28.8107 -28.8096 -28.8096 -26.1427 -26.1427 -7.3644 -7.3644 -5.9670 -5.9670 -5.9665 -5.9665 12.9657 12.9657 13.3890 13.3890 13.4414 13.4414 14.0950 14.0950 14.1161 14.1161 14.2275 14.2275 16.6926 16.6926 16.8084 16.8084 20.6711 20.6711 20.6889 20.6889 k = 0.3625 0.3625 0.3625 ( 1842 PWs) bands (ev): -62.0864 -62.0864 -32.7046 -32.7046 -28.8110 -28.8110 -28.8100 -28.8100 -26.1410 -26.1410 -7.3697 -7.3697 -5.9729 -5.9729 -5.9729 -5.9729 12.9723 12.9723 13.3879 13.3879 13.4409 13.4409 14.1312 14.1312 14.1500 14.1500 14.2916 14.2916 16.6125 16.6125 16.7270 16.7270 20.7787 20.7787 20.7980 20.7980 k = 0.3688 0.3687 0.3687 ( 1842 PWs) bands (ev): -62.0863 -62.0863 -32.7049 -32.7049 -28.8113 -28.8113 -28.8104 -28.8104 -26.1393 -26.1393 -7.3748 -7.3748 -5.9791 -5.9791 -5.9787 -5.9787 12.9823 12.9823 13.3875 13.3875 13.4414 13.4414 14.1675 14.1675 14.1836 14.1836 14.3531 14.3531 16.5328 16.5328 16.6458 16.6458 20.8878 20.8878 20.9084 20.9084 k = 0.3750 0.3750 0.3750 ( 1842 PWs) bands (ev): -62.0863 -62.0863 -32.7051 -32.7051 -28.8115 -28.8115 -28.8108 -28.8108 -26.1376 -26.1376 -7.3798 -7.3798 -5.9851 -5.9851 -5.9843 -5.9843 12.9955 12.9955 13.3879 13.3879 13.4428 13.4428 14.2040 14.2040 14.2171 14.2171 14.4116 14.4116 16.4539 16.4539 16.5651 16.5651 20.9982 20.9982 21.0200 21.0200 k = 0.3812 0.3812 0.3812 ( 1839 PWs) bands (ev): -62.0862 -62.0862 -32.7054 -32.7054 -28.8118 -28.8118 -28.8112 -28.8112 -26.1360 -26.1360 -7.3846 -7.3846 -5.9908 -5.9908 -5.9897 -5.9897 13.0119 13.0119 13.3888 13.3888 13.4449 13.4449 14.2407 14.2407 14.2504 14.2504 14.4670 14.4670 16.3759 16.3759 16.4849 16.4849 21.1095 21.1095 21.1325 21.1325 k = 0.3875 0.3875 0.3875 ( 1845 PWs) bands (ev): -62.0862 -62.0862 -32.7056 -32.7056 -28.8121 -28.8121 -28.8115 -28.8115 -26.1345 -26.1345 -7.3893 -7.3893 -5.9963 -5.9963 -5.9950 -5.9950 13.0312 13.0312 13.3902 13.3902 13.4477 13.4477 14.2777 14.2777 14.2837 14.2837 14.5190 14.5190 16.2988 16.2988 16.4054 16.4054 21.2216 21.2216 21.2455 21.2455 k = 0.3937 0.3937 0.3937 ( 1844 PWs) bands (ev): -62.0861 -62.0861 -32.7058 -32.7058 -28.8123 -28.8123 -28.8118 -28.8118 -26.1331 -26.1331 -7.3937 -7.3937 -6.0015 -6.0015 -6.0001 -6.0001 13.0532 13.0532 13.3922 13.3922 13.4513 13.4513 14.3152 14.3152 14.3170 14.3170 14.5676 14.5676 16.2228 16.2228 16.3266 16.3266 21.3340 21.3340 21.3586 21.3586 k = 0.4000 0.4000 0.4000 ( 1844 PWs) bands (ev): -62.0861 -62.0861 -32.7060 -32.7060 -28.8125 -28.8125 -28.8122 -28.8122 -26.1316 -26.1316 -7.3980 -7.3980 -6.0065 -6.0065 -6.0050 -6.0050 13.0776 13.0776 13.3946 13.3946 13.4554 13.4554 14.3503 14.3503 14.3530 14.3530 14.6126 14.6126 16.1479 16.1479 16.2487 16.2487 21.4466 21.4466 21.4716 21.4716 k = 0.4062 0.4062 0.4062 ( 1844 PWs) bands (ev): -62.0860 -62.0860 -32.7062 -32.7062 -28.8128 -28.8128 -28.8125 -28.8125 -26.1303 -26.1303 -7.4020 -7.4020 -6.0112 -6.0112 -6.0097 -6.0097 13.1041 13.1041 13.3973 13.3973 13.4600 13.4600 14.3838 14.3838 14.3914 14.3914 14.6539 14.6539 16.0744 16.0744 16.1717 16.1717 21.5588 21.5588 21.5841 21.5841 k = 0.4125 0.4125 0.4125 ( 1844 PWs) bands (ev): -62.0860 -62.0860 -32.7064 -32.7064 -28.8130 -28.8130 -28.8127 -28.8127 -26.1290 -26.1290 -7.4059 -7.4059 -6.0156 -6.0156 -6.0141 -6.0141 13.1323 13.1323 13.4003 13.4003 13.4651 13.4651 14.4173 14.4173 14.4304 14.4304 14.6916 14.6916 16.0022 16.0022 16.0958 16.0958 21.6703 21.6703 21.6956 21.6956 k = 0.4188 0.4187 0.4187 ( 1838 PWs) bands (ev): -62.0859 -62.0859 -32.7066 -32.7066 -28.8132 -28.8132 -28.8130 -28.8130 -26.1278 -26.1278 -7.4095 -7.4095 -6.0197 -6.0197 -6.0183 -6.0183 13.1619 13.1619 13.4036 13.4036 13.4705 13.4705 14.4510 14.4510 14.4701 14.4701 14.7257 14.7257 15.9317 15.9317 16.0211 16.0211 21.7784 21.7784 21.7874 21.7874 k = 0.4250 0.4250 0.4250 ( 1841 PWs) bands (ev): -62.0859 -62.0859 -32.7068 -32.7068 -28.8134 -28.8134 -28.8132 -28.8132 -26.1267 -26.1267 -7.4129 -7.4129 -6.0236 -6.0236 -6.0223 -6.0223 13.1924 13.1924 13.4069 13.4069 13.4762 13.4762 14.4847 14.4847 14.5103 14.5103 14.7562 14.7562 15.8627 15.8627 15.9476 15.9476 21.6724 21.6724 21.8896 21.8896 k = 0.4313 0.4312 0.4312 ( 1847 PWs) bands (ev): -62.0859 -62.0859 -32.7069 -32.7069 -28.8136 -28.8136 -28.8135 -28.8135 -26.1257 -26.1257 -7.4161 -7.4161 -6.0272 -6.0272 -6.0260 -6.0260 13.2234 13.2234 13.4103 13.4103 13.4820 13.4820 14.5184 14.5184 14.5513 14.5513 14.7834 14.7834 15.7956 15.7956 15.8754 15.8754 21.5632 21.5632 21.9961 21.9961 k = 0.4375 0.4375 0.4375 ( 1847 PWs) bands (ev): -62.0859 -62.0859 -32.7070 -32.7070 -28.8138 -28.8138 -28.8137 -28.8137 -26.1247 -26.1247 -7.4190 -7.4190 -6.0305 -6.0305 -6.0294 -6.0294 13.2542 13.2542 13.4137 13.4137 13.4880 13.4880 14.5520 14.5520 14.5930 14.5930 14.8074 14.8074 15.7303 15.7303 15.8048 15.8048 21.4595 21.4595 22.0997 22.0997 k = 0.4437 0.4437 0.4437 ( 1856 PWs) bands (ev): -62.0859 -62.0859 -32.7072 -32.7072 -28.8139 -28.8139 -28.8139 -28.8139 -26.1238 -26.1238 -7.4216 -7.4216 -6.0335 -6.0335 -6.0326 -6.0326 13.2842 13.2842 13.4170 13.4170 13.4940 13.4940 14.5852 14.5852 14.6353 14.6353 14.8286 14.8286 15.6672 15.6672 15.7357 15.7357 21.3627 21.3627 22.1996 22.1996 k = 0.4500 0.4500 0.4500 ( 1850 PWs) bands (ev): -62.0858 -62.0858 -32.7073 -32.7073 -28.8141 -28.8141 -28.8140 -28.8140 -26.1230 -26.1230 -7.4240 -7.4240 -6.0362 -6.0362 -6.0354 -6.0354 13.3131 13.3131 13.4202 13.4202 13.5001 13.5001 14.6176 14.6176 14.6784 14.6784 14.8476 14.8476 15.6067 15.6067 15.6686 15.6686 21.2739 21.2739 22.2950 22.2950 k = 0.4562 0.4562 0.4562 ( 1850 PWs) bands (ev): -62.0858 -62.0858 -32.7074 -32.7074 -28.8142 -28.8142 -28.8142 -28.8142 -26.1223 -26.1223 -7.4262 -7.4262 -6.0386 -6.0386 -6.0380 -6.0380 13.3398 13.3398 13.4232 13.4232 13.5062 13.5062 14.6488 14.6488 14.7219 14.7219 14.8647 14.8647 15.5488 15.5488 15.6037 15.6037 21.1938 21.1938 22.3846 22.3846 k = 0.4625 0.4625 0.4625 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7075 -32.7075 -28.8143 -28.8143 -28.8143 -28.8143 -26.1217 -26.1217 -7.4280 -7.4280 -6.0406 -6.0406 -6.0402 -6.0402 13.3640 13.3640 13.4258 13.4258 13.5122 13.5122 14.6779 14.6779 14.7655 14.7655 14.8809 14.8809 15.4939 15.4939 15.5411 15.5411 21.1233 21.1233 22.4672 22.4672 k = 0.4688 0.4687 0.4687 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8144 -28.8144 -28.8144 -28.8144 -26.1212 -26.1212 -7.4296 -7.4296 -6.0424 -6.0424 -6.0421 -6.0421 13.3852 13.3852 13.4282 13.4282 13.5180 13.5180 14.7041 14.7041 14.8088 14.8088 14.8967 14.8967 15.4429 15.4429 15.4817 15.4817 21.0629 21.0629 22.5414 22.5414 k = 0.4750 0.4750 0.4750 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8145 -28.8145 -28.8145 -28.8145 -26.1207 -26.1207 -7.4309 -7.4309 -6.0438 -6.0438 -6.0436 -6.0436 13.4028 13.4028 13.4302 13.4302 13.5236 13.5236 14.7264 14.7264 14.8509 14.8509 14.9127 14.9127 15.3965 15.3965 15.4262 15.4262 21.0129 21.0129 22.6055 22.6055 k = 0.4813 0.4812 0.4812 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8146 -28.8146 -28.8146 -28.8146 -26.1204 -26.1204 -7.4319 -7.4319 -6.0450 -6.0450 -6.0448 -6.0448 13.4165 13.4165 13.4318 13.4318 13.5285 13.5285 14.7440 14.7440 14.8904 14.8904 14.9286 14.9286 15.3563 15.3563 15.3764 15.3764 20.9737 20.9737 22.6578 22.6579 k = 0.4875 0.4875 0.4875 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8146 -28.8146 -28.8146 -28.8146 -26.1201 -26.1201 -7.4327 -7.4327 -6.0458 -6.0458 -6.0457 -6.0457 13.4263 13.4263 13.4330 13.4330 13.5324 13.5324 14.7565 14.7565 14.9243 14.9243 14.9430 14.9430 15.3243 15.3243 15.3349 15.3349 20.9455 20.9455 22.6968 22.6982 k = 0.4938 0.4937 0.4937 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8147 -28.8147 -26.1200 -26.1200 -7.4331 -7.4331 -6.0463 -6.0463 -6.0462 -6.0462 13.4320 13.4320 13.4337 13.4337 13.5350 13.5350 14.7638 14.7638 14.9485 14.9485 14.9535 14.9535 15.3032 15.3032 15.3063 15.3063 20.9285 20.9285 22.7208 22.7209 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8147 -28.8147 -26.1200 -26.1200 -7.4332 -7.4332 -6.0464 -6.0464 -6.0464 -6.0464 13.4339 13.4339 13.4339 13.4339 13.5359 13.5359 14.7663 14.7663 14.9575 14.9575 14.9575 14.9575 15.2958 15.2958 15.2958 15.2958 20.9228 20.9228 22.7287 22.7287 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8147 -28.8147 -26.1200 -26.1200 -7.4332 -7.4332 -6.0464 -6.0464 -6.0464 -6.0464 13.4339 13.4339 13.4339 13.4339 13.5359 13.5359 14.7663 14.7663 14.9575 14.9575 14.9575 14.9575 15.2958 15.2958 15.2958 15.2958 20.9228 20.9228 22.7287 22.7287 k = 0.4924 0.5000 0.4924 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8147 -28.8147 -26.1200 -26.1200 -7.4331 -7.4331 -6.0464 -6.0464 -6.0462 -6.0462 13.4322 13.4322 13.4336 13.4336 13.5350 13.5350 14.7638 14.7638 14.9463 14.9463 14.9562 14.9562 15.3000 15.3000 15.3090 15.3090 20.9284 20.9284 22.7173 22.7174 k = 0.4848 0.5000 0.4848 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8146 -28.8146 -26.1201 -26.1201 -7.4327 -7.4327 -6.0462 -6.0462 -6.0454 -6.0454 13.4269 13.4269 13.4326 13.4326 13.5325 13.5325 14.7554 14.7554 14.9173 14.9173 14.9540 14.9540 15.3119 15.3119 15.3442 15.3442 20.9450 20.9450 22.6838 22.6838 k = 0.4773 0.5000 0.4773 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8146 -28.8146 -28.8145 -28.8145 -26.1204 -26.1204 -7.4320 -7.4320 -6.0459 -6.0459 -6.0440 -6.0440 13.4181 13.4181 13.4307 13.4307 13.5285 13.5285 14.7385 14.7385 14.8787 14.8787 14.9545 14.9545 15.3298 15.3298 15.3937 15.3937 20.9726 20.9726 22.6301 22.6301 k = 0.4697 0.5000 0.4697 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8146 -28.8146 -28.8144 -28.8144 -26.1207 -26.1207 -7.4310 -7.4310 -6.0454 -6.0454 -6.0422 -6.0422 13.4058 13.4058 13.4281 13.4281 13.5234 13.5234 14.7114 14.7114 14.8364 14.8364 14.9610 14.9610 15.3519 15.3519 15.4515 15.4515 21.0111 21.0111 22.5591 22.5591 k = 0.4621 0.5000 0.4621 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8146 -28.8146 -28.8143 -28.8143 -26.1211 -26.1211 -7.4297 -7.4297 -6.0449 -6.0449 -6.0398 -6.0398 13.3903 13.3903 13.4244 13.4244 13.5177 13.5177 14.6742 14.6742 14.7933 14.7933 14.9749 14.9749 15.3766 15.3766 15.5144 15.5144 21.0602 21.0602 22.4736 22.4736 k = 0.4545 0.5000 0.4545 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7075 -32.7075 -28.8146 -28.8146 -28.8141 -28.8141 -26.1217 -26.1217 -7.4282 -7.4282 -6.0442 -6.0442 -6.0369 -6.0369 13.3717 13.3717 13.4195 13.4195 13.5118 13.5118 14.6295 14.6295 14.7502 14.7502 14.9957 14.9957 15.4026 15.4026 15.5807 15.5807 21.1196 21.1196 22.3765 22.3765 k = 0.4470 0.5000 0.4470 ( 1860 PWs) bands (ev): -62.0858 -62.0858 -32.7074 -32.7074 -28.8146 -28.8146 -28.8139 -28.8139 -26.1223 -26.1223 -7.4264 -7.4264 -6.0434 -6.0434 -6.0335 -6.0335 13.3504 13.3504 13.4133 13.4133 13.5059 13.5059 14.5799 14.5799 14.7070 14.7070 15.0222 15.0222 15.4292 15.4292 15.6492 15.6492 21.1891 21.1891 22.2701 22.2701 k = 0.4394 0.5000 0.4394 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7073 -32.7073 -28.8145 -28.8145 -28.8136 -28.8136 -26.1230 -26.1230 -7.4243 -7.4243 -6.0425 -6.0425 -6.0296 -6.0296 13.3270 13.3270 13.4057 13.4057 13.5003 13.5003 14.5275 14.5275 14.6637 14.6637 15.0533 15.0533 15.4557 15.4557 15.7194 15.7194 21.2684 21.2684 22.1565 22.1565 k = 0.4318 0.5000 0.4318 ( 1848 PWs) bands (ev): -62.0858 -62.0858 -32.7072 -32.7072 -28.8145 -28.8145 -28.8133 -28.8133 -26.1237 -26.1237 -7.4220 -7.4220 -6.0415 -6.0415 -6.0251 -6.0251 13.3017 13.3017 13.3963 13.3963 13.4953 13.4953 14.4737 14.4737 14.6204 14.6204 15.0878 15.0878 15.4819 15.4819 15.7909 15.7909 21.3569 21.3569 22.0374 22.0374 k = 0.4242 0.5000 0.4242 ( 1840 PWs) bands (ev): -62.0858 -62.0858 -32.7071 -32.7071 -28.8144 -28.8144 -28.8130 -28.8130 -26.1246 -26.1246 -7.4194 -7.4194 -6.0403 -6.0403 -6.0202 -6.0202 13.2750 13.2750 13.3852 13.3852 13.4909 13.4909 14.4194 14.4194 14.5773 14.5773 15.1251 15.1251 15.5075 15.5075 15.8634 15.8634 21.4544 21.4544 21.9139 21.9139 k = 0.4167 0.5000 0.4167 ( 1844 PWs) bands (ev): -62.0859 -62.0859 -32.7069 -32.7069 -28.8144 -28.8144 -28.8127 -28.8127 -26.1255 -26.1255 -7.4166 -7.4166 -6.0391 -6.0391 -6.0149 -6.0149 13.2472 13.2472 13.3724 13.3724 13.4872 13.4872 14.3650 14.3650 14.5346 14.5346 15.1643 15.1643 15.5323 15.5323 15.9365 15.9365 21.5601 21.5601 21.7870 21.7870 k = 0.4091 0.5000 0.4091 ( 1844 PWs) bands (ev): -62.0859 -62.0859 -32.7068 -32.7068 -28.8144 -28.8144 -28.8123 -28.8123 -26.1265 -26.1265 -7.4136 -7.4136 -6.0377 -6.0377 -6.0090 -6.0090 13.2188 13.2188 13.3580 13.3580 13.4841 13.4841 14.3110 14.3110 14.4925 14.4925 15.2048 15.2048 15.5563 15.5563 16.0102 16.0102 21.6573 21.6573 21.6740 21.6740 k = 0.4015 0.5000 0.4015 ( 1844 PWs) bands (ev): -62.0860 -62.0860 -32.7066 -32.7066 -28.8143 -28.8143 -28.8120 -28.8120 -26.1276 -26.1276 -7.4104 -7.4104 -6.0363 -6.0363 -6.0028 -6.0028 13.1900 13.1900 13.3423 13.3423 13.4816 13.4816 14.2575 14.2575 14.4513 14.4513 15.2462 15.2462 15.5794 15.5794 16.0843 16.0843 21.5262 21.5262 21.7946 21.7946 k = 0.3939 0.5000 0.3939 ( 1836 PWs) bands (ev): -62.0860 -62.0860 -32.7065 -32.7065 -28.8143 -28.8143 -28.8115 -28.8115 -26.1288 -26.1288 -7.4070 -7.4070 -6.0348 -6.0348 -5.9961 -5.9961 13.1613 13.1613 13.3254 13.3254 13.4797 13.4797 14.2049 14.2049 14.4112 14.4112 15.2877 15.2877 15.6017 15.6017 16.1586 16.1586 21.3935 21.3935 21.9218 21.9218 k = 0.3864 0.5000 0.3864 ( 1836 PWs) bands (ev): -62.0860 -62.0860 -32.7063 -32.7063 -28.8142 -28.8142 -28.8111 -28.8111 -26.1300 -26.1300 -7.4034 -7.4034 -6.0331 -6.0331 -5.9889 -5.9889 13.1327 13.1327 13.3076 13.3076 13.4782 13.4782 14.1531 14.1531 14.3724 14.3724 15.3291 15.3291 15.6230 15.6230 16.2330 16.2330 21.2597 21.2597 21.9540 21.9540 k = 0.3788 0.5000 0.3788 ( 1836 PWs) bands (ev): -62.0860 -62.0860 -32.7061 -32.7061 -28.8142 -28.8142 -28.8106 -28.8106 -26.1313 -26.1313 -7.3997 -7.3997 -6.0314 -6.0314 -5.9814 -5.9814 13.1045 13.1045 13.2889 13.2889 13.4771 13.4771 14.1024 14.1024 14.3348 14.3348 15.3698 15.3698 15.6435 15.6435 16.3074 16.3074 21.1252 21.1252 21.8697 21.8697 k = 0.3712 0.5000 0.3712 ( 1836 PWs) bands (ev): -62.0861 -62.0861 -32.7059 -32.7059 -28.8142 -28.8142 -28.8101 -28.8101 -26.1326 -26.1326 -7.3958 -7.3958 -6.0296 -6.0296 -5.9735 -5.9735 13.0769 13.0769 13.2697 13.2697 13.4763 13.4763 14.0527 14.0527 14.2987 14.2987 15.4094 15.4094 15.6631 15.6631 16.3816 16.3816 20.9903 20.9903 21.7855 21.7855 k = 0.3636 0.5000 0.3636 ( 1838 PWs) bands (ev): -62.0861 -62.0861 -32.7057 -32.7057 -28.8141 -28.8141 -28.8096 -28.8096 -26.1340 -26.1340 -7.3918 -7.3918 -6.0278 -6.0278 -5.9653 -5.9653 13.0501 13.0501 13.2500 13.2500 13.4759 13.4759 14.0043 14.0043 14.2641 14.2641 15.4475 15.4475 15.6820 15.6820 16.4556 16.4556 20.8552 20.8552 21.7023 21.7023 k = 0.3561 0.5000 0.3561 ( 1838 PWs) bands (ev): -62.0862 -62.0862 -32.7055 -32.7055 -28.8141 -28.8141 -28.8091 -28.8091 -26.1355 -26.1355 -7.3876 -7.3876 -6.0258 -6.0258 -5.9566 -5.9566 13.0242 13.0242 13.2303 13.2303 13.4757 13.4757 13.9572 13.9572 14.2310 14.2310 15.4837 15.4837 15.7001 15.7001 16.5291 16.5291 20.7201 20.7201 21.6208 21.6208 k = 0.3485 0.5000 0.3485 ( 1838 PWs) bands (ev): -62.0862 -62.0862 -32.7052 -32.7052 -28.8141 -28.8141 -28.8085 -28.8085 -26.1370 -26.1370 -7.3834 -7.3834 -6.0238 -6.0238 -5.9477 -5.9477 12.9994 12.9994 13.2106 13.2106 13.4758 13.4758 13.9114 13.9114 14.1996 14.1996 15.5176 15.5176 15.7175 15.7175 16.6021 16.6021 20.5851 20.5851 21.5418 21.5418 k = 0.3409 0.5000 0.3409 ( 1838 PWs) bands (ev): -62.0863 -62.0863 -32.7050 -32.7050 -28.8141 -28.8141 -28.8079 -28.8079 -26.1385 -26.1385 -7.3790 -7.3790 -6.0218 -6.0218 -5.9385 -5.9385 12.9757 12.9757 13.1910 13.1910 13.4762 13.4762 13.8671 13.8671 14.1697 14.1697 15.5487 15.5487 15.7342 15.7342 16.6746 16.6746 20.4504 20.4504 21.4658 21.4658 k = 0.3333 0.5000 0.3333 ( 1848 PWs) bands (ev): -62.0864 -62.0864 -32.7048 -32.7048 -28.8141 -28.8141 -28.8073 -28.8073 -26.1401 -26.1401 -7.3747 -7.3747 -6.0197 -6.0197 -5.9290 -5.9290 12.9532 12.9532 13.1718 13.1718 13.4766 13.4766 13.8243 13.8243 14.1415 14.1415 15.5769 15.5769 15.7503 15.7503 16.7461 16.7461 20.3161 20.3161 21.3935 21.3935 k = 0.3258 0.5000 0.3258 ( 1832 PWs) bands (ev): -62.0864 -62.0864 -32.7045 -32.7045 -28.8140 -28.8140 -28.8067 -28.8067 -26.1416 -26.1416 -7.3702 -7.3702 -6.0174 -6.0174 -5.9191 -5.9191 12.9322 12.9322 13.1533 13.1533 13.4773 13.4773 13.7834 13.7834 14.1151 14.1151 15.6016 15.6016 15.7660 15.7660 16.8171 16.8171 20.1823 20.1823 21.3253 21.3253 k = 0.3182 0.5000 0.3182 ( 1832 PWs) bands (ev): -62.0864 -62.0864 -32.7043 -32.7043 -28.8140 -28.8140 -28.8061 -28.8061 -26.1433 -26.1433 -7.3657 -7.3657 -6.0152 -6.0152 -5.9091 -5.9091 12.9126 12.9126 13.1354 13.1354 13.4777 13.4777 13.7443 13.7443 14.0902 14.0902 15.6225 15.6225 15.7813 15.7813 16.8870 16.8870 20.0492 20.0492 21.2617 21.2617 k = 0.3106 0.5000 0.3106 ( 1832 PWs) bands (ev): -62.0865 -62.0865 -32.7040 -32.7040 -28.8141 -28.8141 -28.8054 -28.8054 -26.1449 -26.1449 -7.3611 -7.3611 -6.0129 -6.0129 -5.8989 -5.8989 12.8944 12.8944 13.1183 13.1183 13.4777 13.4777 13.7074 13.7074 14.0671 14.0671 15.6392 15.6392 15.7963 15.7963 16.9558 16.9558 19.9167 19.9167 21.2029 21.2029 k = 0.3030 0.5000 0.3030 ( 1832 PWs) bands (ev): -62.0866 -62.0866 -32.7038 -32.7038 -28.8141 -28.8141 -28.8047 -28.8047 -26.1466 -26.1466 -7.3566 -7.3566 -6.0106 -6.0106 -5.8884 -5.8884 12.8778 12.8778 13.1021 13.1021 13.4770 13.4770 13.6732 13.6732 14.0457 14.0457 15.6514 15.6514 15.8111 15.8111 17.0235 17.0235 19.7850 19.7850 21.1493 21.1493 k = 0.2955 0.5000 0.2955 ( 1832 PWs) bands (ev): -62.0866 -62.0866 -32.7035 -32.7035 -28.8141 -28.8141 -28.8041 -28.8041 -26.1482 -26.1482 -7.3521 -7.3521 -6.0082 -6.0082 -5.8778 -5.8778 12.8628 12.8628 13.0869 13.0869 13.4747 13.4747 13.6424 13.6424 14.0260 14.0260 15.6589 15.6589 15.8257 15.8257 17.0899 17.0899 19.6542 19.6542 21.1012 21.1012 k = 0.2879 0.5000 0.2879 ( 1832 PWs) bands (ev): -62.0867 -62.0867 -32.7032 -32.7032 -28.8141 -28.8141 -28.8034 -28.8034 -26.1499 -26.1499 -7.3476 -7.3476 -6.0058 -6.0058 -5.8671 -5.8671 12.8494 12.8494 13.0728 13.0728 13.4698 13.4698 13.6161 13.6161 14.0082 14.0082 15.6615 15.6615 15.8404 15.8404 17.1549 17.1549 19.5244 19.5244 21.0585 21.0585 k = 0.2803 0.5000 0.2803 ( 1826 PWs) bands (ev): -62.0867 -62.0867 -32.7030 -32.7030 -28.8141 -28.8141 -28.8027 -28.8027 -26.1516 -26.1516 -7.3431 -7.3431 -6.0034 -6.0034 -5.8562 -5.8562 12.8377 12.8377 13.0598 13.0598 13.4611 13.4611 13.5958 13.5958 13.9922 13.9922 15.6592 15.6592 15.8550 15.8550 17.2184 17.2184 19.3956 19.3956 21.0214 21.0214 k = 0.2727 0.5000 0.2727 ( 1826 PWs) bands (ev): -62.0868 -62.0868 -32.7027 -32.7027 -28.8142 -28.8142 -28.8020 -28.8020 -26.1532 -26.1532 -7.3387 -7.3387 -6.0009 -6.0009 -5.8452 -5.8452 12.8277 12.8277 13.0480 13.0480 13.4474 13.4474 13.5823 13.5823 13.9782 13.9782 15.6519 15.6519 15.8695 15.8695 17.2804 17.2804 19.2679 19.2679 20.9898 20.9898 k = 0.2652 0.5000 0.2652 ( 1832 PWs) bands (ev): -62.0869 -62.0869 -32.7024 -32.7024 -28.8142 -28.8142 -28.8013 -28.8013 -26.1549 -26.1549 -7.3344 -7.3344 -5.9984 -5.9984 -5.8342 -5.8342 12.8192 12.8192 13.0373 13.0373 13.4291 13.4291 13.5754 13.5754 13.9661 13.9661 15.6398 15.6398 15.8837 15.8837 17.3406 17.3406 19.1413 19.1413 20.9636 20.9636 k = 0.2576 0.5000 0.2576 ( 1824 PWs) bands (ev): -62.0869 -62.0869 -32.7021 -32.7021 -28.8143 -28.8143 -28.8005 -28.8005 -26.1566 -26.1566 -7.3301 -7.3301 -5.9959 -5.9959 -5.8231 -5.8231 12.8126 12.8126 13.0278 13.0278 13.4076 13.4076 13.5738 13.5738 13.9562 13.9562 15.6229 15.6229 15.8980 15.8980 17.3992 17.3992 19.0161 19.0161 20.9426 20.9426 k = 0.2500 0.5000 0.2500 ( 1816 PWs) bands (ev): -62.0869 -62.0869 -32.7018 -32.7018 -28.8143 -28.8143 -28.7998 -28.7998 -26.1582 -26.1582 -7.3260 -7.3260 -5.9934 -5.9934 -5.8120 -5.8120 12.8076 12.8076 13.0195 13.0195 13.3844 13.3844 13.5759 13.5759 13.9484 13.9484 15.6014 15.6014 15.9121 15.9121 17.4559 17.4559 18.8922 18.8922 20.9265 20.9265 k = 0.2424 0.5000 0.2424 ( 1836 PWs) bands (ev): -62.0871 -62.0871 -32.7016 -32.7016 -28.8144 -28.8144 -28.7991 -28.7991 -26.1599 -26.1599 -7.3219 -7.3219 -5.9909 -5.9909 -5.8009 -5.8009 12.8041 12.8041 13.0122 13.0122 13.3604 13.3604 13.5806 13.5806 13.9428 13.9428 15.5754 15.5754 15.9258 15.9258 17.5105 17.5105 18.7696 18.7696 20.9148 20.9148 k = 0.2348 0.5000 0.2348 ( 1836 PWs) bands (ev): -62.0871 -62.0871 -32.7013 -32.7013 -28.8145 -28.8145 -28.7984 -28.7984 -26.1615 -26.1615 -7.3180 -7.3180 -5.9883 -5.9883 -5.7899 -5.7899 12.8024 12.8024 13.0060 13.0060 13.3366 13.3366 13.5874 13.5874 13.9396 13.9396 15.5453 15.5453 15.9395 15.9395 17.5633 17.5633 18.6486 18.6486 20.9073 20.9073 k = 0.2273 0.5000 0.2273 ( 1840 PWs) bands (ev): -62.0872 -62.0872 -32.7011 -32.7011 -28.8146 -28.8146 -28.7977 -28.7977 -26.1630 -26.1630 -7.3142 -7.3142 -5.9858 -5.9858 -5.7788 -5.7788 12.8023 12.8023 13.0007 13.0007 13.3131 13.3131 13.5958 13.5958 13.9389 13.9389 15.5112 15.5112 15.9530 15.9530 17.6140 17.6140 18.5291 18.5291 20.9035 20.9035 k = 0.2197 0.5000 0.2197 ( 1838 PWs) bands (ev): -62.0873 -62.0873 -32.7008 -32.7008 -28.8147 -28.8147 -28.7969 -28.7969 -26.1646 -26.1646 -7.3105 -7.3105 -5.9833 -5.9833 -5.7679 -5.7679 12.8037 12.8037 12.9964 12.9964 13.2904 13.2904 13.6057 13.6057 13.9407 13.9407 15.4734 15.4734 15.9664 15.9664 17.6626 17.6626 18.4112 18.4112 20.9026 20.9026 k = 0.2121 0.5000 0.2121 ( 1842 PWs) bands (ev): -62.0873 -62.0873 -32.7005 -32.7005 -28.8148 -28.8148 -28.7962 -28.7962 -26.1661 -26.1661 -7.3070 -7.3070 -5.9808 -5.9808 -5.7571 -5.7571 12.8066 12.8066 12.9930 12.9930 13.2686 13.2686 13.6168 13.6168 13.9450 13.9450 15.4322 15.4322 15.9797 15.9797 17.7090 17.7090 18.2951 18.2951 20.9030 20.9030 k = 0.2045 0.5000 0.2045 ( 1840 PWs) bands (ev): -62.0874 -62.0874 -32.7003 -32.7003 -28.8150 -28.8150 -28.7955 -28.7955 -26.1676 -26.1676 -7.3036 -7.3036 -5.9783 -5.9783 -5.7464 -5.7464 12.8108 12.8108 12.9905 12.9905 13.2477 13.2477 13.6291 13.6291 13.9521 13.9521 15.3880 15.3880 15.9929 15.9929 17.7533 17.7533 18.1807 18.1807 20.8951 20.8951 k = 0.1970 0.5000 0.1970 ( 1840 PWs) bands (ev): -62.0875 -62.0875 -32.7000 -32.7000 -28.8151 -28.8151 -28.7948 -28.7948 -26.1691 -26.1691 -7.3003 -7.3003 -5.9758 -5.9758 -5.7358 -5.7358 12.8163 12.8163 12.9889 12.9889 13.2278 13.2278 13.6426 13.6426 13.9617 13.9617 15.3409 15.3409 16.0061 16.0061 17.7953 17.7953 18.0683 18.0683 20.8025 20.8025 k = 0.1894 0.5000 0.1894 ( 1836 PWs) bands (ev): -62.0875 -62.0875 -32.6997 -32.6997 -28.8152 -28.8152 -28.7941 -28.7941 -26.1705 -26.1705 -7.2972 -7.2972 -5.9733 -5.9733 -5.7255 -5.7255 12.8227 12.8227 12.9883 12.9883 13.2089 13.2089 13.6572 13.6572 13.9741 13.9741 15.2914 15.2914 16.0192 16.0192 17.8352 17.8352 17.9579 17.9579 20.6692 20.6692 k = 0.1818 0.5000 0.1818 ( 1840 PWs) bands (ev): -62.0876 -62.0876 -32.6995 -32.6995 -28.8153 -28.8153 -28.7935 -28.7935 -26.1719 -26.1719 -7.2943 -7.2943 -5.9708 -5.9708 -5.7153 -5.7153 12.8299 12.8299 12.9886 12.9886 13.1911 13.1911 13.6727 13.6727 13.9891 13.9891 15.2397 15.2397 16.0323 16.0323 17.8495 17.8495 17.8727 17.8727 20.5328 20.5328 k = 0.1742 0.5000 0.1742 ( 1852 PWs) bands (ev): -62.0877 -62.0877 -32.6993 -32.6993 -28.8155 -28.8155 -28.7928 -28.7928 -26.1732 -26.1732 -7.2915 -7.2915 -5.9684 -5.9684 -5.7054 -5.7054 12.8374 12.8374 12.9902 12.9902 13.1744 13.1744 13.6894 13.6894 14.0067 14.0067 15.1862 15.1862 16.0453 16.0453 17.7434 17.7434 17.9081 17.9081 20.3963 20.3963 k = 0.1667 0.5000 0.1667 ( 1852 PWs) bands (ev): -62.0877 -62.0877 -32.6990 -32.6990 -28.8156 -28.8156 -28.7922 -28.7922 -26.1745 -26.1745 -7.2889 -7.2889 -5.9661 -5.9661 -5.6957 -5.6957 12.8451 12.8451 12.9933 12.9933 13.1589 13.1589 13.7070 13.7070 14.0269 14.0269 15.1312 15.1312 16.0585 16.0585 17.6396 17.6396 17.9413 17.9413 20.2604 20.2604 k = 0.1591 0.5000 0.1591 ( 1852 PWs) bands (ev): -62.0878 -62.0878 -32.6988 -32.6988 -28.8158 -28.8158 -28.7916 -28.7916 -26.1757 -26.1757 -7.2864 -7.2864 -5.9637 -5.9637 -5.6862 -5.6862 12.8524 12.8524 12.9981 12.9981 13.1447 13.1447 13.7256 13.7256 14.0495 14.0495 15.0748 15.0748 16.0718 16.0718 17.5382 17.5382 17.9723 17.9723 20.1253 20.1253 k = 0.1515 0.5000 0.1515 ( 1844 PWs) bands (ev): -62.0878 -62.0878 -32.6986 -32.6986 -28.8159 -28.8159 -28.7909 -28.7909 -26.1769 -26.1769 -7.2841 -7.2841 -5.9614 -5.9614 -5.6771 -5.6771 12.8588 12.8588 13.0050 13.0050 13.1319 13.1319 13.7450 13.7450 14.0746 14.0746 15.0176 15.0176 16.0854 16.0854 17.4394 17.4394 18.0012 18.0012 19.9916 19.9916 k = 0.1439 0.5000 0.1439 ( 1836 PWs) bands (ev): -62.0878 -62.0878 -32.6984 -32.6984 -28.8160 -28.8160 -28.7903 -28.7903 -26.1780 -26.1780 -7.2819 -7.2819 -5.9592 -5.9592 -5.6682 -5.6682 12.8641 12.8641 13.0138 13.0138 13.1208 13.1208 13.7652 13.7652 14.1018 14.1018 14.9597 14.9597 16.0990 16.0990 17.3433 17.3433 18.0280 18.0280 19.8593 19.8593 k = 0.1364 0.5000 0.1364 ( 1840 PWs) bands (ev): -62.0879 -62.0879 -32.6982 -32.6982 -28.8162 -28.8162 -28.7898 -28.7898 -26.1791 -26.1791 -7.2799 -7.2799 -5.9571 -5.9571 -5.6597 -5.6597 12.8679 12.8679 13.0241 13.0241 13.1118 13.1118 13.7859 13.7859 14.1308 14.1308 14.9014 14.9014 16.1129 16.1129 17.2500 17.2500 18.0528 18.0528 19.7288 19.7288 k = 0.1288 0.5000 0.1288 ( 1840 PWs) bands (ev): -62.0880 -62.0880 -32.6980 -32.6980 -28.8163 -28.8163 -28.7892 -28.7892 -26.1801 -26.1801 -7.2780 -7.2780 -5.9550 -5.9550 -5.6515 -5.6515 12.8703 12.8703 13.0347 13.0347 13.1063 13.1063 13.8072 13.8072 14.1616 14.1616 14.8430 14.8430 16.1270 16.1270 17.1598 17.1598 18.0756 18.0756 19.6005 19.6005 k = 0.1212 0.5000 0.1212 ( 1848 PWs) bands (ev): -62.0880 -62.0880 -32.6978 -32.6978 -28.8165 -28.8165 -28.7887 -28.7887 -26.1811 -26.1811 -7.2763 -7.2763 -5.9530 -5.9530 -5.6437 -5.6437 12.8714 12.8714 13.0426 13.0426 13.1068 13.1068 13.8288 13.8288 14.1936 14.1936 14.7847 14.7847 16.1415 16.1415 17.0727 17.0727 18.0964 18.0964 19.4748 19.4748 k = 0.1136 0.5000 0.1136 ( 1842 PWs) bands (ev): -62.0880 -62.0880 -32.6976 -32.6976 -28.8166 -28.8166 -28.7882 -28.7882 -26.1820 -26.1820 -7.2748 -7.2748 -5.9510 -5.9510 -5.6363 -5.6363 12.8714 12.8714 13.0456 13.0456 13.1156 13.1156 13.8507 13.8507 14.2267 14.2267 14.7271 14.7271 16.1563 16.1563 16.9889 16.9889 18.1154 18.1154 19.3520 19.3520 k = 0.1061 0.5000 0.1061 ( 1842 PWs) bands (ev): -62.0881 -62.0881 -32.6974 -32.6974 -28.8167 -28.8167 -28.7877 -28.7877 -26.1829 -26.1829 -7.2733 -7.2733 -5.9492 -5.9492 -5.6293 -5.6293 12.8705 12.8705 13.0440 13.0440 13.1321 13.1321 13.8726 13.8726 14.2602 14.2602 14.6704 14.6704 16.1715 16.1715 16.9087 16.9087 18.1327 18.1327 19.2324 19.2324 k = 0.0985 0.5000 0.0985 ( 1838 PWs) bands (ev): -62.0881 -62.0881 -32.6973 -32.6973 -28.8168 -28.8168 -28.7873 -28.7873 -26.1837 -26.1837 -7.2720 -7.2720 -5.9475 -5.9475 -5.6227 -5.6227 12.8689 12.8689 13.0400 13.0400 13.1535 13.1535 13.8943 13.8943 14.2933 14.2933 14.6155 14.6155 16.1870 16.1870 16.8323 16.8323 18.1481 18.1481 19.1167 19.1167 k = 0.0909 0.5000 0.0909 ( 1846 PWs) bands (ev): -62.0882 -62.0882 -32.6971 -32.6971 -28.8170 -28.8170 -28.7869 -28.7869 -26.1844 -26.1844 -7.2708 -7.2708 -5.9458 -5.9458 -5.6165 -5.6165 12.8668 12.8668 13.0350 13.0350 13.1780 13.1780 13.9155 13.9155 14.3248 14.3248 14.5632 14.5632 16.2029 16.2029 16.7599 16.7599 18.1620 18.1620 19.0053 19.0053 k = 0.0833 0.5000 0.0833 ( 1846 PWs) bands (ev): -62.0882 -62.0882 -32.6970 -32.6970 -28.8171 -28.8171 -28.7865 -28.7865 -26.1851 -26.1851 -7.2698 -7.2698 -5.9443 -5.9443 -5.6108 -5.6108 12.8644 12.8644 13.0300 13.0300 13.2046 13.2046 13.9360 13.9360 14.3519 14.3519 14.5164 14.5164 16.2190 16.2190 16.6917 16.6917 18.1741 18.1741 18.8988 18.8988 k = 0.0758 0.5000 0.0758 ( 1844 PWs) bands (ev): -62.0882 -62.0882 -32.6969 -32.6969 -28.8172 -28.8172 -28.7861 -28.7861 -26.1858 -26.1858 -7.2688 -7.2688 -5.9429 -5.9429 -5.6055 -5.6055 12.8619 12.8619 13.0254 13.0254 13.2327 13.2327 13.9555 13.9555 14.3666 14.3666 14.4831 14.4831 16.2354 16.2354 16.6280 16.6280 18.1847 18.1847 18.7978 18.7978 k = 0.0682 0.5000 0.0682 ( 1844 PWs) bands (ev): -62.0883 -62.0883 -32.6967 -32.6967 -28.8173 -28.8173 -28.7858 -28.7858 -26.1863 -26.1863 -7.2680 -7.2680 -5.9416 -5.9416 -5.6007 -5.6007 12.8593 12.8593 13.0209 13.0209 13.2617 13.2617 13.9735 13.9735 14.3552 14.3552 14.4770 14.4770 16.2518 16.2518 16.5692 16.5692 18.1937 18.1937 18.7030 18.7030 k = 0.0606 0.5000 0.0606 ( 1844 PWs) bands (ev): -62.0883 -62.0883 -32.6966 -32.6966 -28.8174 -28.8174 -28.7855 -28.7855 -26.1868 -26.1868 -7.2673 -7.2673 -5.9404 -5.9404 -5.5963 -5.5963 12.8567 12.8567 13.0170 13.0170 13.2911 13.2911 13.9895 13.9895 14.3232 14.3232 14.4928 14.4928 16.2681 16.2681 16.5154 16.5154 18.2010 18.2010 18.6154 18.6154 k = 0.0530 0.5000 0.0530 ( 1840 PWs) bands (ev): -62.0883 -62.0883 -32.6965 -32.6965 -28.8175 -28.8175 -28.7852 -28.7852 -26.1873 -26.1873 -7.2666 -7.2666 -5.9393 -5.9393 -5.5925 -5.5925 12.8543 12.8543 13.0135 13.0135 13.3204 13.3204 14.0027 14.0027 14.2862 14.2862 14.5153 14.5153 16.2839 16.2839 16.4671 16.4671 18.2065 18.2065 18.5359 18.5359 k = 0.0455 0.5000 0.0455 ( 1840 PWs) bands (ev): -62.0883 -62.0883 -32.6965 -32.6965 -28.8175 -28.8175 -28.7850 -28.7850 -26.1877 -26.1877 -7.2661 -7.2661 -5.9384 -5.9384 -5.5891 -5.5891 12.8521 12.8521 13.0105 13.0105 13.3490 13.3490 14.0125 14.0125 14.2510 14.2510 14.5382 14.5382 16.2989 16.2989 16.4246 16.4246 18.2100 18.2100 18.4657 18.4657 k = 0.0379 0.5000 0.0379 ( 1844 PWs) bands (ev): -62.0884 -62.0884 -32.6964 -32.6964 -28.8176 -28.8176 -28.7848 -28.7848 -26.1880 -26.1880 -7.2656 -7.2656 -5.9376 -5.9376 -5.5863 -5.5863 12.8501 12.8501 13.0079 13.0079 13.3762 13.3762 14.0178 14.0178 14.2209 14.2209 14.5593 14.5593 16.3123 16.3123 16.3884 16.3884 18.2108 18.2108 18.4062 18.4062 k = 0.0303 0.5000 0.0303 ( 1848 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7846 -28.7846 -26.1883 -26.1883 -7.2653 -7.2653 -5.9370 -5.9370 -5.5839 -5.5839 12.8485 12.8485 13.0058 13.0058 13.4010 13.4010 14.0181 14.0181 14.1977 14.1977 14.5774 14.5774 16.3229 16.3229 16.3596 16.3596 18.2083 18.2083 18.3591 18.3591 k = 0.0227 0.5000 0.0227 ( 1848 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7845 -28.7845 -26.1885 -26.1885 -7.2650 -7.2650 -5.9365 -5.9365 -5.5821 -5.5821 12.8471 12.8471 13.0042 13.0042 13.4222 13.4222 14.0141 14.0141 14.1820 14.1820 14.5922 14.5922 16.3237 16.3237 16.3450 16.3450 18.2019 18.2019 18.3257 18.3257 k = 0.0152 0.5000 0.0152 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6963 -32.6963 -28.8177 -28.8177 -28.7844 -28.7844 -26.1886 -26.1886 -7.2648 -7.2648 -5.9361 -5.9361 -5.5808 -5.5808 12.8462 12.8462 13.0031 13.0031 13.4388 13.4388 14.0080 14.0080 14.1729 14.1729 14.6031 14.6031 16.3116 16.3116 16.3476 16.3476 18.1932 18.1932 18.3055 18.3055 k = 0.0076 0.5000 0.0076 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8177 -28.8177 -28.7844 -28.7844 -26.1887 -26.1887 -7.2647 -7.2647 -5.9359 -5.9359 -5.5800 -5.5800 12.8456 12.8456 13.0024 13.0024 13.4493 13.4493 14.0028 14.0028 14.1685 14.1685 14.6097 14.6097 16.3021 16.3021 16.3514 16.3514 18.1856 18.1856 18.2954 18.2954 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -62.0884 -62.0884 -32.6962 -32.6962 -28.8178 -28.8178 -28.7843 -28.7843 -26.1888 -26.1888 -7.2646 -7.2646 -5.9358 -5.9358 -5.5797 -5.5797 12.8454 12.8454 13.0022 13.0022 13.4530 13.4530 14.0007 14.0007 14.1672 14.1672 14.6119 14.6119 16.2988 16.2988 16.3528 16.3528 18.1826 18.1826 18.2925 18.2925 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7938 -28.7938 -26.1619 -26.1619 -7.3364 -7.3364 -6.0810 -6.0810 -5.6684 -5.6684 11.8313 11.8313 12.1385 12.1385 13.2219 13.2219 13.3349 13.3349 15.2388 15.2388 16.1540 16.1540 17.6886 17.6886 17.6978 17.6978 18.7985 18.7985 21.2529 21.2529 k = 0.5000 0.5000 0.0106 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7939 -28.7939 -26.1618 -26.1618 -7.3365 -7.3365 -6.0809 -6.0809 -5.6689 -5.6689 11.8332 11.8332 12.1402 12.1402 13.2219 13.2219 13.3349 13.3349 15.2388 15.2388 16.1540 16.1540 17.6833 17.6833 17.6928 17.6928 18.8005 18.8005 21.2588 21.2588 k = 0.5000 0.5000 0.0213 ( 1852 PWs) bands (ev): -62.0870 -62.0870 -32.7018 -32.7018 -28.8188 -28.8188 -28.7939 -28.7939 -26.1617 -26.1617 -7.3368 -7.3368 -6.0808 -6.0808 -5.6703 -5.6703 11.8389 11.8389 12.1450 12.1450 13.2220 13.2220 13.3347 13.3347 15.2390 15.2390 16.1542 16.1542 17.6678 17.6678 17.6781 17.6781 18.8066 18.8066 21.2764 21.2764 k = 0.5000 0.5000 0.0319 ( 1828 PWs) bands (ev): -62.0869 -62.0869 -32.7018 -32.7018 -28.8187 -28.8187 -28.7940 -28.7940 -26.1614 -26.1614 -7.3371 -7.3371 -6.0806 -6.0806 -5.6726 -5.6726 11.8484 11.8484 12.1531 12.1531 13.2222 13.2222 13.3348 13.3348 15.2394 15.2394 16.1546 16.1546 17.6423 17.6423 17.6538 17.6538 18.8168 18.8168 21.3055 21.3055 k = 0.5000 0.5000 0.0426 ( 1828 PWs) bands (ev): -62.0869 -62.0869 -32.7019 -32.7019 -28.8187 -28.8187 -28.7942 -28.7942 -26.1611 -26.1611 -7.3377 -7.3377 -6.0803 -6.0803 -5.6759 -5.6759 11.8617 11.8617 12.1642 12.1642 13.2223 13.2223 13.3345 13.3345 15.2398 15.2398 16.1548 16.1548 17.6073 17.6073 17.6205 17.6205 18.8310 18.8310 21.3452 21.3452 k = 0.5000 0.5000 0.0532 ( 1820 PWs) bands (ev): -62.0869 -62.0869 -32.7019 -32.7019 -28.8186 -28.8186 -28.7944 -28.7944 -26.1607 -26.1607 -7.3383 -7.3383 -6.0800 -6.0800 -5.6802 -5.6802 11.8787 11.8787 12.1785 12.1785 13.2224 13.2224 13.3342 13.3342 15.2404 15.2404 16.1552 16.1552 17.5635 17.5635 17.5789 17.5789 18.8494 18.8494 21.3951 21.4045 k = 0.5000 0.5000 0.0638 ( 1828 PWs) bands (ev): -62.0869 -62.0869 -32.7020 -32.7020 -28.8186 -28.8186 -28.7946 -28.7946 -26.1602 -26.1602 -7.3392 -7.3392 -6.0796 -6.0796 -5.6853 -5.6853 11.8995 11.8995 12.1958 12.1958 13.2225 13.2225 13.3337 13.3337 15.2410 15.2410 16.1554 16.1554 17.5118 17.5118 17.5295 17.5295 18.8718 18.8718 21.4541 21.4606 k = 0.5000 0.5000 0.0745 ( 1828 PWs) bands (ev): -62.0869 -62.0869 -32.7021 -32.7021 -28.8185 -28.8185 -28.7949 -28.7949 -26.1596 -26.1596 -7.3403 -7.3403 -6.0791 -6.0791 -5.6913 -5.6913 11.9240 11.9240 12.2160 12.2160 13.2227 13.2227 13.3333 13.3333 15.2417 15.2417 16.1557 16.1557 17.4530 17.4530 17.4733 17.4733 18.8983 18.8983 21.5217 21.5248 k = 0.5000 0.5000 0.0851 ( 1828 PWs) bands (ev): -62.0869 -62.0869 -32.7022 -32.7022 -28.8185 -28.8185 -28.7953 -28.7953 -26.1589 -26.1589 -7.3415 -7.3415 -6.0785 -6.0785 -5.6981 -5.6981 11.9522 11.9522 12.2390 12.2390 13.2230 13.2230 13.3330 13.3330 15.2425 15.2425 16.1559 16.1559 17.3879 17.3879 17.4110 17.4110 18.9291 18.9291 21.5963 21.5963 k = 0.5000 0.5000 0.0957 ( 1844 PWs) bands (ev): -62.0869 -62.0869 -32.7023 -32.7023 -28.8184 -28.8184 -28.7957 -28.7957 -26.1582 -26.1582 -7.3428 -7.3428 -6.0780 -6.0780 -5.7057 -5.7057 11.9840 11.9840 12.2646 12.2646 13.2234 13.2234 13.3325 13.3325 15.2433 15.2433 16.1560 16.1560 17.3174 17.3174 17.3434 17.3434 18.9640 18.9640 21.6742 21.6742 k = 0.5000 0.5000 0.1064 ( 1844 PWs) bands (ev): -62.0869 -62.0869 -32.7025 -32.7025 -28.8183 -28.8183 -28.7961 -28.7961 -26.1574 -26.1574 -7.3443 -7.3443 -6.0773 -6.0773 -5.7140 -5.7140 12.0195 12.0195 12.2928 12.2928 13.2240 13.2240 13.3322 13.3322 15.2443 15.2443 16.1560 16.1560 17.2424 17.2424 17.2714 17.2714 19.0033 19.0033 21.7580 21.7580 k = 0.5000 0.5000 0.1170 ( 1836 PWs) bands (ev): -62.0868 -62.0868 -32.7026 -32.7026 -28.8183 -28.8183 -28.7965 -28.7965 -26.1565 -26.1565 -7.3460 -7.3460 -6.0765 -6.0765 -5.7230 -5.7230 12.0586 12.0586 12.3235 12.3235 13.2250 13.2250 13.3321 13.3321 15.2454 15.2454 16.1558 16.1558 17.1636 17.1636 17.1955 17.1955 19.0469 19.0469 21.8468 21.8468 k = 0.5000 0.5000 0.1277 ( 1836 PWs) bands (ev): -62.0868 -62.0868 -32.7027 -32.7027 -28.8182 -28.8182 -28.7970 -28.7970 -26.1555 -26.1555 -7.3478 -7.3478 -6.0757 -6.0757 -5.7326 -5.7326 12.1012 12.1012 12.3564 12.3564 13.2260 13.2260 13.3321 13.3321 15.2466 15.2466 16.1553 16.1553 17.0816 17.0816 17.1164 17.1164 19.0949 19.0949 21.9400 21.9400 k = 0.5000 0.5000 0.1383 ( 1836 PWs) bands (ev): -62.0868 -62.0868 -32.7029 -32.7029 -28.8181 -28.8181 -28.7975 -28.7975 -26.1545 -26.1545 -7.3497 -7.3497 -6.0749 -6.0749 -5.7429 -5.7429 12.1472 12.1472 12.3913 12.3913 13.2274 13.2274 13.3322 13.3322 15.2479 15.2479 16.1544 16.1544 16.9972 16.9972 17.0348 17.0348 19.1472 19.1472 22.0368 22.0368 k = 0.5000 0.5000 0.1489 ( 1828 PWs) bands (ev): -62.0867 -62.0867 -32.7030 -32.7030 -28.8179 -28.8179 -28.7981 -28.7981 -26.1534 -26.1534 -7.3518 -7.3518 -6.0739 -6.0739 -5.7536 -5.7536 12.1968 12.1968 12.4282 12.4282 13.2291 13.2291 13.3326 13.3326 15.2495 15.2495 16.1530 16.1530 16.9110 16.9110 16.9513 16.9513 19.2041 19.2041 22.1369 22.1369 k = 0.5000 0.5000 0.1596 ( 1828 PWs) bands (ev): -62.0867 -62.0867 -32.7032 -32.7032 -28.8178 -28.8178 -28.7987 -28.7987 -26.1522 -26.1522 -7.3540 -7.3540 -6.0730 -6.0730 -5.7648 -5.7648 12.2496 12.2496 12.4667 12.4667 13.2312 13.2312 13.3332 13.3332 15.2510 15.2510 16.1510 16.1510 16.8234 16.8234 16.8662 16.8662 19.2655 19.2655 22.2397 22.2397 k = 0.5000 0.5000 0.1702 ( 1816 PWs) bands (ev): -62.0866 -62.0866 -32.7033 -32.7033 -28.8177 -28.8177 -28.7992 -28.7992 -26.1510 -26.1510 -7.3564 -7.3564 -6.0720 -6.0720 -5.7764 -5.7764 12.3058 12.3058 12.5068 12.5068 13.2339 13.2339 13.3341 13.3341 15.2525 15.2525 16.1485 16.1485 16.7351 16.7351 16.7800 16.7800 19.3315 19.3315 22.3447 22.3447 k = 0.5000 0.5000 0.1809 ( 1824 PWs) bands (ev): -62.0866 -62.0866 -32.7035 -32.7035 -28.8176 -28.8176 -28.7999 -28.7999 -26.1498 -26.1498 -7.3589 -7.3589 -6.0710 -6.0710 -5.7884 -5.7884 12.3651 12.3651 12.5480 12.5480 13.2369 13.2369 13.3353 13.3353 15.2539 15.2539 16.1446 16.1446 16.6466 16.6466 16.6932 16.6932 19.4020 19.4020 22.4516 22.4829 k = 0.5000 0.5000 0.1915 ( 1824 PWs) bands (ev): -62.0865 -62.0865 -32.7037 -32.7037 -28.8175 -28.8175 -28.8005 -28.8005 -26.1485 -26.1485 -7.3615 -7.3615 -6.0699 -6.0699 -5.8007 -5.8007 12.4274 12.4274 12.5903 12.5903 13.2405 13.2405 13.3368 13.3368 15.2556 15.2556 16.1395 16.1395 16.5585 16.5585 16.6061 16.6061 19.4773 19.4773 22.5598 22.5714 k = 0.5000 0.5000 0.2021 ( 1824 PWs) bands (ev): -62.0865 -62.0865 -32.7039 -32.7039 -28.8173 -28.8173 -28.8012 -28.8012 -26.1471 -26.1471 -7.3643 -7.3643 -6.0688 -6.0688 -5.8132 -5.8132 12.4927 12.4927 12.6336 12.6336 13.2448 13.2448 13.3388 13.3388 15.2572 15.2572 16.1325 16.1325 16.4716 16.4716 16.5191 16.5191 19.5573 19.5573 22.5992 22.5992 k = 0.5000 0.5000 0.2128 ( 1824 PWs) bands (ev): -62.0865 -62.0865 -32.7041 -32.7041 -28.8172 -28.8172 -28.8018 -28.8018 -26.1458 -26.1458 -7.3671 -7.3671 -6.0677 -6.0677 -5.8258 -5.8258 12.5608 12.5608 12.6774 12.6774 13.2498 13.2498 13.3412 13.3412 15.2589 15.2589 16.1225 16.1225 16.3871 16.3871 16.4323 16.4323 19.6420 19.6420 22.6090 22.6090 k = 0.5000 0.5000 0.2234 ( 1824 PWs) bands (ev): -62.0864 -62.0864 -32.7043 -32.7043 -28.8170 -28.8170 -28.8025 -28.8025 -26.1444 -26.1444 -7.3701 -7.3701 -6.0666 -6.0666 -5.8385 -5.8385 12.6314 12.6314 12.7216 12.7216 13.2557 13.2557 13.3441 13.3441 15.2606 15.2606 16.1072 16.1072 16.3075 16.3075 16.3462 16.3462 19.7315 19.7315 22.6165 22.6165 k = 0.5000 0.5000 0.2340 ( 1820 PWs) bands (ev): -62.0864 -62.0864 -32.7044 -32.7044 -28.8169 -28.8169 -28.8032 -28.8032 -26.1430 -26.1430 -7.3731 -7.3731 -6.0654 -6.0654 -5.8513 -5.8513 12.7044 12.7044 12.7661 12.7661 13.2628 13.2628 13.3476 13.3476 15.2624 15.2624 16.0816 16.0816 16.2380 16.2380 16.2609 16.2609 19.8257 19.8257 22.6232 22.6232 k = 0.5000 0.5000 0.2447 ( 1820 PWs) bands (ev): -62.0863 -62.0863 -32.7046 -32.7046 -28.8168 -28.8168 -28.8039 -28.8039 -26.1416 -26.1416 -7.3763 -7.3763 -6.0643 -6.0643 -5.8640 -5.8640 12.7793 12.7793 12.8105 12.8105 13.2712 13.2712 13.3515 13.3515 15.2642 15.2642 16.0379 16.0379 16.1767 16.1767 16.1865 16.1865 19.9246 19.9246 22.6297 22.6297 k = 0.5000 0.5000 0.2553 ( 1820 PWs) bands (ev): -62.0863 -62.0863 -32.7048 -32.7048 -28.8166 -28.8166 -28.8046 -28.8046 -26.1402 -26.1402 -7.3795 -7.3795 -6.0631 -6.0631 -5.8766 -5.8766 12.8546 12.8546 12.8557 12.8557 13.2813 13.2813 13.3560 13.3560 15.2659 15.2659 15.9754 15.9754 16.0938 16.0938 16.1536 16.1536 20.0283 20.0283 22.6360 22.6360 k = 0.5000 0.5000 0.2660 ( 1820 PWs) bands (ev): -62.0862 -62.0862 -32.7050 -32.7050 -28.8165 -28.8165 -28.8053 -28.8053 -26.1388 -26.1388 -7.3827 -7.3827 -6.0620 -6.0620 -5.8891 -5.8891 12.8983 12.8983 12.9327 12.9327 13.2940 13.2940 13.3611 13.3611 15.2677 15.2677 15.9027 15.9027 16.0124 16.0124 16.1309 16.1309 20.1366 20.1366 22.6422 22.6422 k = 0.5000 0.5000 0.2766 ( 1824 PWs) bands (ev): -62.0862 -62.0862 -32.7052 -32.7052 -28.8164 -28.8164 -28.8060 -28.8060 -26.1375 -26.1375 -7.3861 -7.3861 -6.0608 -6.0608 -5.9015 -5.9015 12.9414 12.9414 13.0087 13.0087 13.3106 13.3106 13.3668 13.3668 15.2694 15.2694 15.8263 15.8263 15.9327 15.9327 16.1118 16.1118 20.2495 20.2495 22.6480 22.6480 k = 0.5000 0.5000 0.2872 ( 1824 PWs) bands (ev): -62.0861 -62.0861 -32.7054 -32.7054 -28.8162 -28.8162 -28.8067 -28.8067 -26.1361 -26.1361 -7.3894 -7.3894 -6.0597 -6.0597 -5.9135 -5.9135 12.9835 12.9835 13.0813 13.0813 13.3335 13.3335 13.3731 13.3731 15.2710 15.2710 15.7493 15.7493 15.8549 15.8549 16.0934 16.0934 20.3668 20.3668 22.6528 22.6528 k = 0.5000 0.5000 0.2979 ( 1832 PWs) bands (ev): -62.0861 -62.0861 -32.7056 -32.7056 -28.8161 -28.8161 -28.8073 -28.8073 -26.1347 -26.1347 -7.3927 -7.3927 -6.0586 -6.0586 -5.9253 -5.9253 13.0245 13.0245 13.1458 13.1458 13.3671 13.3671 13.3800 13.3800 15.2726 15.2726 15.6729 15.6729 15.7791 15.7791 16.0742 16.0742 20.4885 20.4885 22.6391 22.6391 k = 0.5000 0.5000 0.3085 ( 1828 PWs) bands (ev): -62.0861 -62.0861 -32.7058 -32.7058 -28.8160 -28.8160 -28.8080 -28.8080 -26.1334 -26.1334 -7.3960 -7.3960 -6.0575 -6.0575 -5.9367 -5.9367 13.0643 13.0643 13.1974 13.1974 13.3875 13.3875 13.4162 13.4162 15.2742 15.2742 15.5981 15.5981 15.7056 15.7056 16.0536 16.0536 20.6144 20.6144 22.4988 22.4988 k = 0.5000 0.5000 0.3191 ( 1828 PWs) bands (ev): -62.0860 -62.0860 -32.7060 -32.7060 -28.8158 -28.8158 -28.8086 -28.8086 -26.1321 -26.1321 -7.3993 -7.3993 -6.0564 -6.0564 -5.9477 -5.9477 13.1027 13.1027 13.2348 13.2348 13.3957 13.3957 13.4817 13.4817 15.2756 15.2756 15.5252 15.5252 15.6345 15.6345 16.0310 16.0310 20.7442 20.7442 22.3463 22.3463 k = 0.5000 0.5000 0.3298 ( 1828 PWs) bands (ev): -62.0860 -62.0860 -32.7062 -32.7062 -28.8157 -28.8157 -28.8092 -28.8092 -26.1309 -26.1309 -7.4026 -7.4026 -6.0554 -6.0554 -5.9583 -5.9583 13.1396 13.1396 13.2619 13.2619 13.4044 13.4044 13.5596 13.5596 15.2768 15.2768 15.4546 15.4546 15.5661 15.5661 16.0060 16.0060 20.8776 20.8776 22.1984 22.1984 k = 0.5000 0.5000 0.3404 ( 1828 PWs) bands (ev): -62.0860 -62.0860 -32.7063 -32.7063 -28.8156 -28.8156 -28.8098 -28.8098 -26.1297 -26.1297 -7.4058 -7.4058 -6.0544 -6.0544 -5.9684 -5.9684 13.1746 13.1746 13.2828 13.2828 13.4137 13.4137 13.6454 13.6454 15.2777 15.2777 15.3864 15.3864 15.5007 15.5007 15.9785 15.9785 21.0143 21.0143 22.0562 22.0562 k = 0.5000 0.5000 0.3511 ( 1836 PWs) bands (ev): -62.0860 -62.0860 -32.7065 -32.7065 -28.8155 -28.8155 -28.8104 -28.8104 -26.1285 -26.1285 -7.4089 -7.4089 -6.0535 -6.0535 -5.9780 -5.9780 13.2078 13.2078 13.3003 13.3003 13.4234 13.4234 13.7360 13.7360 15.2780 15.2780 15.3211 15.3211 15.4386 15.4386 15.9481 15.9481 21.1540 21.1540 21.9204 21.9204 k = 0.5000 0.5000 0.3617 ( 1836 PWs) bands (ev): -62.0859 -62.0859 -32.7067 -32.7067 -28.8154 -28.8154 -28.8110 -28.8110 -26.1274 -26.1274 -7.4119 -7.4119 -6.0525 -6.0525 -5.9870 -5.9870 13.2389 13.2389 13.3160 13.3160 13.4337 13.4337 13.8295 13.8295 15.2588 15.2588 15.2769 15.2769 15.3809 15.3809 15.9147 15.9147 21.2960 21.2960 21.7914 21.7914 k = 0.5000 0.5000 0.3723 ( 1836 PWs) bands (ev): -62.0859 -62.0859 -32.7068 -32.7068 -28.8153 -28.8153 -28.8115 -28.8115 -26.1264 -26.1264 -7.4147 -7.4147 -6.0517 -6.0517 -5.9955 -5.9955 13.2679 13.2679 13.3306 13.3306 13.4443 13.4443 13.9249 13.9249 15.1998 15.1998 15.2709 15.2709 15.3314 15.3314 15.8781 15.8781 21.4399 21.4399 21.6697 21.6697 k = 0.5000 0.5000 0.3830 ( 1836 PWs) bands (ev): -62.0859 -62.0859 -32.7070 -32.7070 -28.8152 -28.8152 -28.8120 -28.8120 -26.1254 -26.1254 -7.4174 -7.4174 -6.0509 -6.0509 -6.0035 -6.0035 13.2946 13.2946 13.3445 13.3445 13.4551 13.4551 14.0212 14.0212 15.1443 15.1443 15.2470 15.2470 15.3031 15.3031 15.8382 15.8382 21.5558 21.5558 21.5847 21.5847 k = 0.5000 0.5000 0.3936 ( 1844 PWs) bands (ev): -62.0859 -62.0859 -32.7071 -32.7071 -28.8151 -28.8151 -28.8124 -28.8124 -26.1245 -26.1245 -7.4200 -7.4200 -6.0501 -6.0501 -6.0108 -6.0108 13.3190 13.3190 13.3576 13.3576 13.4659 13.4659 14.1180 14.1180 15.0926 15.0926 15.2057 15.2057 15.2956 15.2956 15.7948 15.7948 21.4501 21.4501 21.7296 21.7296 k = 0.5000 0.5000 0.4043 ( 1852 PWs) bands (ev): -62.0859 -62.0859 -32.7072 -32.7072 -28.8150 -28.8150 -28.8128 -28.8128 -26.1236 -26.1236 -7.4224 -7.4224 -6.0495 -6.0495 -6.0174 -6.0174 13.3410 13.3410 13.3700 13.3700 13.4767 13.4767 14.2144 14.2144 15.0450 15.0450 15.1624 15.1624 15.2939 15.2939 15.7480 15.7480 21.3530 21.3530 21.8734 21.8734 k = 0.5000 0.5000 0.4149 ( 1852 PWs) bands (ev): -62.0858 -62.0858 -32.7073 -32.7073 -28.8150 -28.8150 -28.8132 -28.8132 -26.1229 -26.1229 -7.4246 -7.4246 -6.0488 -6.0488 -6.0234 -6.0234 13.3606 13.3606 13.3819 13.3819 13.4873 13.4873 14.3099 14.3099 15.0020 15.0020 15.1217 15.1217 15.2937 15.2937 15.6978 15.6978 21.2649 21.2649 22.0147 22.0147 k = 0.5000 0.5000 0.4255 ( 1860 PWs) bands (ev): -62.0858 -62.0858 -32.7074 -32.7074 -28.8149 -28.8149 -28.8136 -28.8136 -26.1222 -26.1222 -7.4266 -7.4266 -6.0483 -6.0483 -6.0288 -6.0288 13.3779 13.3779 13.3929 13.3929 13.4973 13.4973 14.4035 14.4035 14.9639 14.9639 15.0847 15.0847 15.2939 15.2939 15.6442 15.6442 21.1862 21.1862 22.1516 22.1516 k = 0.5000 0.5000 0.4362 ( 1864 PWs) bands (ev): -62.0858 -62.0858 -32.7075 -32.7075 -28.8148 -28.8148 -28.8139 -28.8139 -26.1216 -26.1216 -7.4283 -7.4283 -6.0478 -6.0478 -6.0335 -6.0335 13.3928 13.3928 13.4029 13.4029 13.5067 13.5067 14.4941 14.4941 14.9317 14.9317 15.0518 15.0518 15.2943 15.2943 15.5877 15.5877 21.1173 21.1173 22.2818 22.2818 k = 0.5000 0.5000 0.4468 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8148 -28.8148 -28.8141 -28.8141 -26.1211 -26.1211 -7.4298 -7.4298 -6.0474 -6.0474 -6.0374 -6.0374 13.4054 13.4054 13.4119 13.4119 13.5151 13.5151 14.5798 14.5798 14.9066 14.9066 15.0235 15.0235 15.2947 15.2947 15.5292 15.5292 21.0585 21.0585 22.4026 22.4026 k = 0.5000 0.5000 0.4574 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7076 -32.7076 -28.8147 -28.8147 -28.8143 -28.8143 -26.1207 -26.1207 -7.4310 -7.4310 -6.0470 -6.0470 -6.0406 -6.0406 13.4157 13.4157 13.4196 13.4196 13.5223 13.5223 14.6565 14.6565 14.8914 14.8914 15.0000 15.0000 15.2951 15.2951 15.4691 15.4691 21.0100 21.0100 22.5103 22.5103 k = 0.5000 0.5000 0.4681 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8145 -28.8145 -26.1204 -26.1204 -7.4320 -7.4320 -6.0468 -6.0468 -6.0432 -6.0432 13.4237 13.4237 13.4257 13.4257 13.5282 13.5282 14.7166 14.7166 14.8919 14.8919 14.9815 14.9815 15.2954 15.2954 15.4097 15.4097 20.9720 20.9720 22.6010 22.6010 k = 0.5000 0.5000 0.4787 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8146 -28.8146 -26.1201 -26.1201 -7.4327 -7.4327 -6.0466 -6.0466 -6.0450 -6.0450 13.4294 13.4294 13.4302 13.4302 13.5324 13.5324 14.7510 14.7510 14.9131 14.9131 14.9682 14.9682 15.2956 15.2956 15.3548 15.3548 20.9447 20.9447 22.6702 22.6702 k = 0.5000 0.5000 0.4894 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8146 -28.8146 -26.1200 -26.1200 -7.4331 -7.4331 -6.0465 -6.0465 -6.0461 -6.0461 13.4328 13.4328 13.4330 13.4330 13.5350 13.5350 14.7636 14.7636 14.9432 14.9432 14.9602 14.9602 15.2958 15.2958 15.3126 15.3126 20.9283 20.9283 22.7138 22.7138 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -62.0858 -62.0858 -32.7077 -32.7077 -28.8147 -28.8147 -28.8147 -28.8147 -26.1200 -26.1200 -7.4332 -7.4332 -6.0464 -6.0464 -6.0464 -6.0464 13.4339 13.4339 13.4339 13.4339 13.5359 13.5359 14.7663 14.7663 14.9575 14.9575 14.9575 14.9575 15.2958 15.2958 15.2958 15.2958 20.9228 20.9228 22.7287 22.7287 Writing output data file YRh.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 47.47s CPU 49.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 47.46s CPU 49.36s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 359 calls) cegterg : 42.90s CPU 43.88s WALL ( 418 calls) Called by sum_band: Called by *egterg: h_psi : 19.59s CPU 20.29s WALL ( 6303 calls) s_psi : 1.16s CPU 1.15s WALL ( 6303 calls) g_psi : 0.06s CPU 0.06s WALL ( 5526 calls) cdiaghg : 21.43s CPU 21.62s WALL ( 5885 calls) cegterg:over : 1.45s CPU 1.60s WALL ( 5526 calls) cegterg:upda : 0.94s CPU 1.07s WALL ( 5526 calls) cegterg:last : 0.86s CPU 0.75s WALL ( 1133 calls) cdiaghg:chol : 1.12s CPU 1.08s WALL ( 5885 calls) cdiaghg:inve : 0.41s CPU 0.47s WALL ( 5885 calls) cdiaghg:para : 1.29s CPU 1.32s WALL ( 11770 calls) Called by h_psi: h_psi:vloc : 16.90s CPU 17.53s WALL ( 6303 calls) h_psi:vnl : 2.68s CPU 2.73s WALL ( 6303 calls) add_vuspsi : 1.48s CPU 1.51s WALL ( 6303 calls) General routines calbec : 1.17s CPU 1.21s WALL ( 6303 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.55s CPU 16.18s WALL ( 487344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.66s WALL ( 718 calls) Parallel routines fft_scatter : 9.80s CPU 10.23s WALL ( 487367 calls) PWSCF : 0m56.83s CPU 1m14.21s WALL This run was terminated on: 21:11:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=