Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:59 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: ./Fe3Sn.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 22 6 725 482 78 Max 30 23 7 728 495 85 Sum 1069 821 241 26145 17557 2945 bravais-lattice index = 14 lattice parameter (alat) = 7.3189 a.u. unit-cell volume = 392.0478 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.318909 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 26145 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 17557 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 144, 46) NL pseudopotentials 0.15 Mb ( 72, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 728) G-vector shells 0.00 Mb ( 208) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 144, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./Fe3Sn.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.5 secs Computing kpt #: 16 total cpu time spent up to now is 6.8 secs Computing kpt #: 17 total cpu time spent up to now is 7.0 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.3 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.9 secs Computing kpt #: 28 total cpu time spent up to now is 10.1 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 10.9 secs Computing kpt #: 32 total cpu time spent up to now is 11.2 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.2 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.8 secs Computing kpt #: 42 total cpu time spent up to now is 14.0 secs Computing kpt #: 43 total cpu time spent up to now is 14.3 secs Computing kpt #: 44 total cpu time spent up to now is 14.5 secs Computing kpt #: 45 total cpu time spent up to now is 14.8 secs Computing kpt #: 46 total cpu time spent up to now is 15.1 secs Computing kpt #: 47 total cpu time spent up to now is 15.3 secs Computing kpt #: 48 total cpu time spent up to now is 15.6 secs Computing kpt #: 49 total cpu time spent up to now is 15.8 secs Computing kpt #: 50 total cpu time spent up to now is 16.1 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.6 secs Computing kpt #: 53 total cpu time spent up to now is 16.8 secs Computing kpt #: 54 total cpu time spent up to now is 17.0 secs Computing kpt #: 55 total cpu time spent up to now is 17.3 secs Computing kpt #: 56 total cpu time spent up to now is 17.5 secs Computing kpt #: 57 total cpu time spent up to now is 17.7 secs Computing kpt #: 58 total cpu time spent up to now is 18.0 secs Computing kpt #: 59 total cpu time spent up to now is 18.2 secs Computing kpt #: 60 total cpu time spent up to now is 18.4 secs Computing kpt #: 61 total cpu time spent up to now is 18.7 secs Computing kpt #: 62 total cpu time spent up to now is 18.9 secs Computing kpt #: 63 total cpu time spent up to now is 19.1 secs Computing kpt #: 64 total cpu time spent up to now is 19.4 secs Computing kpt #: 65 total cpu time spent up to now is 19.6 secs Computing kpt #: 66 total cpu time spent up to now is 19.9 secs Computing kpt #: 67 total cpu time spent up to now is 20.1 secs Computing kpt #: 68 total cpu time spent up to now is 20.4 secs Computing kpt #: 69 total cpu time spent up to now is 20.6 secs Computing kpt #: 70 total cpu time spent up to now is 20.9 secs Computing kpt #: 71 total cpu time spent up to now is 21.1 secs Computing kpt #: 72 total cpu time spent up to now is 21.4 secs Computing kpt #: 73 total cpu time spent up to now is 21.7 secs Computing kpt #: 74 total cpu time spent up to now is 22.0 secs Computing kpt #: 75 total cpu time spent up to now is 22.2 secs Computing kpt #: 76 total cpu time spent up to now is 22.5 secs Computing kpt #: 77 total cpu time spent up to now is 22.8 secs Computing kpt #: 78 total cpu time spent up to now is 23.1 secs Computing kpt #: 79 total cpu time spent up to now is 23.4 secs Computing kpt #: 80 total cpu time spent up to now is 23.7 secs Computing kpt #: 81 total cpu time spent up to now is 24.1 secs Computing kpt #: 82 total cpu time spent up to now is 24.4 secs Computing kpt #: 83 total cpu time spent up to now is 24.7 secs Computing kpt #: 84 total cpu time spent up to now is 25.0 secs Computing kpt #: 85 total cpu time spent up to now is 25.3 secs Computing kpt #: 86 total cpu time spent up to now is 25.6 secs Computing kpt #: 87 total cpu time spent up to now is 25.9 secs Computing kpt #: 88 total cpu time spent up to now is 26.2 secs Computing kpt #: 89 total cpu time spent up to now is 26.5 secs Computing kpt #: 90 total cpu time spent up to now is 26.9 secs Computing kpt #: 91 total cpu time spent up to now is 27.1 secs Computing kpt #: 92 total cpu time spent up to now is 27.4 secs Computing kpt #: 93 total cpu time spent up to now is 27.7 secs Computing kpt #: 94 total cpu time spent up to now is 28.0 secs Computing kpt #: 95 total cpu time spent up to now is 28.2 secs Computing kpt #: 96 total cpu time spent up to now is 28.5 secs Computing kpt #: 97 total cpu time spent up to now is 28.7 secs Computing kpt #: 98 total cpu time spent up to now is 29.0 secs Computing kpt #: 99 total cpu time spent up to now is 29.2 secs Computing kpt #: 100 total cpu time spent up to now is 29.4 secs Computing kpt #: 101 total cpu time spent up to now is 29.7 secs Computing kpt #: 102 total cpu time spent up to now is 29.9 secs Computing kpt #: 103 total cpu time spent up to now is 30.2 secs Computing kpt #: 104 total cpu time spent up to now is 30.4 secs Computing kpt #: 105 total cpu time spent up to now is 30.6 secs Computing kpt #: 106 total cpu time spent up to now is 30.8 secs Computing kpt #: 107 total cpu time spent up to now is 31.1 secs Computing kpt #: 108 total cpu time spent up to now is 31.3 secs Computing kpt #: 109 total cpu time spent up to now is 31.5 secs Computing kpt #: 110 total cpu time spent up to now is 31.7 secs Computing kpt #: 111 total cpu time spent up to now is 32.0 secs Computing kpt #: 112 total cpu time spent up to now is 32.2 secs Computing kpt #: 113 total cpu time spent up to now is 32.4 secs Computing kpt #: 114 total cpu time spent up to now is 32.6 secs Computing kpt #: 115 total cpu time spent up to now is 32.8 secs Computing kpt #: 116 total cpu time spent up to now is 33.1 secs Computing kpt #: 117 total cpu time spent up to now is 33.3 secs Computing kpt #: 118 total cpu time spent up to now is 33.5 secs Computing kpt #: 119 total cpu time spent up to now is 33.8 secs Computing kpt #: 120 total cpu time spent up to now is 34.0 secs Computing kpt #: 121 total cpu time spent up to now is 34.2 secs Computing kpt #: 122 total cpu time spent up to now is 34.5 secs Computing kpt #: 123 total cpu time spent up to now is 34.7 secs Computing kpt #: 124 total cpu time spent up to now is 35.0 secs Computing kpt #: 125 total cpu time spent up to now is 35.2 secs Computing kpt #: 126 total cpu time spent up to now is 35.5 secs Computing kpt #: 127 total cpu time spent up to now is 35.7 secs Computing kpt #: 128 total cpu time spent up to now is 36.0 secs Computing kpt #: 129 total cpu time spent up to now is 36.2 secs Computing kpt #: 130 total cpu time spent up to now is 36.5 secs Computing kpt #: 131 total cpu time spent up to now is 36.8 secs Computing kpt #: 132 total cpu time spent up to now is 37.1 secs Computing kpt #: 133 total cpu time spent up to now is 37.3 secs Computing kpt #: 134 total cpu time spent up to now is 38.1 secs Computing kpt #: 135 total cpu time spent up to now is 38.3 secs Computing kpt #: 136 total cpu time spent up to now is 38.6 secs Computing kpt #: 137 total cpu time spent up to now is 38.9 secs Computing kpt #: 138 total cpu time spent up to now is 39.2 secs Computing kpt #: 139 total cpu time spent up to now is 39.4 secs Computing kpt #: 140 total cpu time spent up to now is 39.7 secs Computing kpt #: 141 total cpu time spent up to now is 40.1 secs Computing kpt #: 142 total cpu time spent up to now is 40.4 secs Computing kpt #: 143 total cpu time spent up to now is 40.7 secs Computing kpt #: 144 total cpu time spent up to now is 41.0 secs Computing kpt #: 145 total cpu time spent up to now is 41.2 secs Computing kpt #: 146 total cpu time spent up to now is 41.5 secs Computing kpt #: 147 total cpu time spent up to now is 41.8 secs Computing kpt #: 148 total cpu time spent up to now is 42.1 secs Computing kpt #: 149 total cpu time spent up to now is 42.3 secs Computing kpt #: 150 total cpu time spent up to now is 42.6 secs Computing kpt #: 151 total cpu time spent up to now is 42.9 secs Computing kpt #: 152 total cpu time spent up to now is 43.2 secs Computing kpt #: 153 total cpu time spent up to now is 43.5 secs Computing kpt #: 154 total cpu time spent up to now is 43.8 secs Computing kpt #: 155 total cpu time spent up to now is 44.1 secs Computing kpt #: 156 total cpu time spent up to now is 44.3 secs Computing kpt #: 157 total cpu time spent up to now is 44.6 secs Computing kpt #: 158 total cpu time spent up to now is 44.9 secs Computing kpt #: 159 total cpu time spent up to now is 45.1 secs Computing kpt #: 160 total cpu time spent up to now is 45.4 secs Computing kpt #: 161 total cpu time spent up to now is 45.7 secs Computing kpt #: 162 total cpu time spent up to now is 45.9 secs Computing kpt #: 163 total cpu time spent up to now is 46.2 secs Computing kpt #: 164 total cpu time spent up to now is 46.5 secs Computing kpt #: 165 total cpu time spent up to now is 46.8 secs Computing kpt #: 166 total cpu time spent up to now is 47.0 secs Computing kpt #: 167 total cpu time spent up to now is 47.3 secs Computing kpt #: 168 total cpu time spent up to now is 47.6 secs Computing kpt #: 169 total cpu time spent up to now is 47.8 secs Computing kpt #: 170 total cpu time spent up to now is 48.1 secs Computing kpt #: 171 total cpu time spent up to now is 48.3 secs Computing kpt #: 172 total cpu time spent up to now is 48.6 secs Computing kpt #: 173 total cpu time spent up to now is 48.9 secs Computing kpt #: 174 total cpu time spent up to now is 49.1 secs Computing kpt #: 175 total cpu time spent up to now is 49.4 secs Computing kpt #: 176 total cpu time spent up to now is 49.7 secs Computing kpt #: 177 total cpu time spent up to now is 49.9 secs Computing kpt #: 178 total cpu time spent up to now is 50.2 secs Computing kpt #: 179 total cpu time spent up to now is 50.5 secs Computing kpt #: 180 total cpu time spent up to now is 50.7 secs Computing kpt #: 181 total cpu time spent up to now is 51.0 secs Computing kpt #: 182 total cpu time spent up to now is 51.3 secs Computing kpt #: 183 total cpu time spent up to now is 51.6 secs Computing kpt #: 184 total cpu time spent up to now is 51.8 secs Computing kpt #: 185 total cpu time spent up to now is 52.1 secs Computing kpt #: 186 total cpu time spent up to now is 52.4 secs Computing kpt #: 187 total cpu time spent up to now is 52.7 secs Computing kpt #: 188 total cpu time spent up to now is 53.0 secs Computing kpt #: 189 total cpu time spent up to now is 53.3 secs Computing kpt #: 190 total cpu time spent up to now is 53.6 secs Computing kpt #: 191 total cpu time spent up to now is 53.8 secs Computing kpt #: 192 total cpu time spent up to now is 54.1 secs Computing kpt #: 193 total cpu time spent up to now is 54.4 secs Computing kpt #: 194 total cpu time spent up to now is 54.7 secs Computing kpt #: 195 total cpu time spent up to now is 55.0 secs Computing kpt #: 196 total cpu time spent up to now is 55.3 secs Computing kpt #: 197 total cpu time spent up to now is 55.5 secs Computing kpt #: 198 total cpu time spent up to now is 55.8 secs Computing kpt #: 199 total cpu time spent up to now is 56.3 secs Computing kpt #: 200 total cpu time spent up to now is 56.6 secs Computing kpt #: 201 total cpu time spent up to now is 56.8 secs Computing kpt #: 202 total cpu time spent up to now is 57.1 secs Computing kpt #: 203 total cpu time spent up to now is 57.4 secs Computing kpt #: 204 total cpu time spent up to now is 57.8 secs Computing kpt #: 205 total cpu time spent up to now is 58.1 secs Computing kpt #: 206 total cpu time spent up to now is 58.4 secs Computing kpt #: 207 total cpu time spent up to now is 58.7 secs Computing kpt #: 208 total cpu time spent up to now is 59.0 secs Computing kpt #: 209 total cpu time spent up to now is 59.3 secs Computing kpt #: 210 total cpu time spent up to now is 59.6 secs Computing kpt #: 211 total cpu time spent up to now is 59.9 secs Computing kpt #: 212 total cpu time spent up to now is 60.3 secs Computing kpt #: 213 total cpu time spent up to now is 60.6 secs Computing kpt #: 214 total cpu time spent up to now is 61.0 secs Computing kpt #: 215 total cpu time spent up to now is 61.3 secs Computing kpt #: 216 total cpu time spent up to now is 61.5 secs Computing kpt #: 217 total cpu time spent up to now is 61.9 secs Computing kpt #: 218 total cpu time spent up to now is 62.2 secs Computing kpt #: 219 total cpu time spent up to now is 62.5 secs Computing kpt #: 220 total cpu time spent up to now is 62.8 secs Computing kpt #: 221 total cpu time spent up to now is 63.1 secs Computing kpt #: 222 total cpu time spent up to now is 63.4 secs Computing kpt #: 223 total cpu time spent up to now is 63.7 secs Computing kpt #: 224 total cpu time spent up to now is 64.0 secs Computing kpt #: 225 total cpu time spent up to now is 64.3 secs Computing kpt #: 226 total cpu time spent up to now is 64.6 secs Computing kpt #: 227 total cpu time spent up to now is 64.9 secs Computing kpt #: 228 total cpu time spent up to now is 65.2 secs Computing kpt #: 229 total cpu time spent up to now is 65.5 secs Computing kpt #: 230 total cpu time spent up to now is 65.8 secs Computing kpt #: 231 total cpu time spent up to now is 66.2 secs Computing kpt #: 232 total cpu time spent up to now is 66.7 secs Computing kpt #: 233 total cpu time spent up to now is 67.0 secs Computing kpt #: 234 total cpu time spent up to now is 67.5 secs Computing kpt #: 235 total cpu time spent up to now is 67.7 secs Computing kpt #: 236 total cpu time spent up to now is 68.0 secs Computing kpt #: 237 total cpu time spent up to now is 68.3 secs Computing kpt #: 238 total cpu time spent up to now is 68.6 secs Computing kpt #: 239 total cpu time spent up to now is 68.8 secs Computing kpt #: 240 total cpu time spent up to now is 69.1 secs Computing kpt #: 241 total cpu time spent up to now is 69.4 secs Computing kpt #: 242 total cpu time spent up to now is 69.7 secs Computing kpt #: 243 total cpu time spent up to now is 69.9 secs Computing kpt #: 244 total cpu time spent up to now is 70.2 secs Computing kpt #: 245 total cpu time spent up to now is 70.5 secs Computing kpt #: 246 total cpu time spent up to now is 70.7 secs Computing kpt #: 247 total cpu time spent up to now is 71.0 secs Computing kpt #: 248 total cpu time spent up to now is 71.2 secs Computing kpt #: 249 total cpu time spent up to now is 71.5 secs Computing kpt #: 250 total cpu time spent up to now is 71.8 secs Computing kpt #: 251 total cpu time spent up to now is 72.0 secs Computing kpt #: 252 total cpu time spent up to now is 72.3 secs Computing kpt #: 253 total cpu time spent up to now is 72.6 secs Computing kpt #: 254 total cpu time spent up to now is 73.1 secs Computing kpt #: 255 total cpu time spent up to now is 73.4 secs Computing kpt #: 256 total cpu time spent up to now is 73.7 secs Computing kpt #: 257 total cpu time spent up to now is 73.9 secs Computing kpt #: 258 total cpu time spent up to now is 74.2 secs Computing kpt #: 259 total cpu time spent up to now is 74.7 secs Computing kpt #: 260 total cpu time spent up to now is 75.1 secs Computing kpt #: 261 total cpu time spent up to now is 75.6 secs Computing kpt #: 262 total cpu time spent up to now is 76.0 secs Computing kpt #: 263 total cpu time spent up to now is 76.3 secs Computing kpt #: 264 total cpu time spent up to now is 76.6 secs Computing kpt #: 265 total cpu time spent up to now is 76.9 secs Computing kpt #: 266 total cpu time spent up to now is 77.3 secs Computing kpt #: 267 total cpu time spent up to now is 77.6 secs Computing kpt #: 268 total cpu time spent up to now is 77.9 secs Computing kpt #: 269 total cpu time spent up to now is 78.2 secs Computing kpt #: 270 total cpu time spent up to now is 78.5 secs Computing kpt #: 271 total cpu time spent up to now is 78.8 secs Computing kpt #: 272 total cpu time spent up to now is 79.0 secs Computing kpt #: 273 total cpu time spent up to now is 79.3 secs Computing kpt #: 274 total cpu time spent up to now is 79.6 secs Computing kpt #: 275 total cpu time spent up to now is 79.9 secs Computing kpt #: 276 total cpu time spent up to now is 80.2 secs Computing kpt #: 277 total cpu time spent up to now is 80.5 secs Computing kpt #: 278 total cpu time spent up to now is 80.8 secs Computing kpt #: 279 total cpu time spent up to now is 81.1 secs Computing kpt #: 280 total cpu time spent up to now is 81.4 secs Computing kpt #: 281 total cpu time spent up to now is 81.7 secs Computing kpt #: 282 total cpu time spent up to now is 82.0 secs Computing kpt #: 283 total cpu time spent up to now is 82.3 secs Computing kpt #: 284 total cpu time spent up to now is 82.6 secs Computing kpt #: 285 total cpu time spent up to now is 82.9 secs Computing kpt #: 286 total cpu time spent up to now is 83.2 secs Computing kpt #: 287 total cpu time spent up to now is 83.5 secs Computing kpt #: 288 total cpu time spent up to now is 84.0 secs Computing kpt #: 289 total cpu time spent up to now is 84.4 secs Computing kpt #: 290 total cpu time spent up to now is 84.7 secs Computing kpt #: 291 total cpu time spent up to now is 85.1 secs Computing kpt #: 292 total cpu time spent up to now is 85.4 secs Computing kpt #: 293 total cpu time spent up to now is 85.9 secs Computing kpt #: 294 total cpu time spent up to now is 86.3 secs Computing kpt #: 295 total cpu time spent up to now is 86.8 secs Computing kpt #: 296 total cpu time spent up to now is 87.2 secs Computing kpt #: 297 total cpu time spent up to now is 87.7 secs Computing kpt #: 298 total cpu time spent up to now is 88.1 secs Computing kpt #: 299 total cpu time spent up to now is 88.6 secs Computing kpt #: 300 total cpu time spent up to now is 89.0 secs Computing kpt #: 301 total cpu time spent up to now is 89.5 secs Computing kpt #: 302 total cpu time spent up to now is 90.0 secs Computing kpt #: 303 total cpu time spent up to now is 90.4 secs Computing kpt #: 304 total cpu time spent up to now is 90.9 secs Computing kpt #: 305 total cpu time spent up to now is 91.3 secs Computing kpt #: 306 total cpu time spent up to now is 91.7 secs Computing kpt #: 307 total cpu time spent up to now is 92.0 secs Computing kpt #: 308 total cpu time spent up to now is 92.3 secs Computing kpt #: 309 total cpu time spent up to now is 92.6 secs Computing kpt #: 310 total cpu time spent up to now is 92.9 secs Computing kpt #: 311 total cpu time spent up to now is 93.2 secs Computing kpt #: 312 total cpu time spent up to now is 93.5 secs Computing kpt #: 313 total cpu time spent up to now is 93.8 secs Computing kpt #: 314 total cpu time spent up to now is 94.1 secs Computing kpt #: 315 total cpu time spent up to now is 94.5 secs Computing kpt #: 316 total cpu time spent up to now is 94.8 secs ethr = 2.63E-08, avg # of iterations = 18.8 total cpu time spent up to now is 94.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3357 2.3357 9.2232 9.2232 10.2551 10.2551 10.2551 10.2551 10.5923 10.5923 10.5936 10.5936 10.5936 10.5936 12.1615 12.1615 12.3381 12.3381 12.3381 12.3381 12.4017 12.4017 12.5468 12.5468 12.5468 12.5468 12.9859 12.9859 12.9859 12.9859 13.4041 13.4041 13.5584 13.5584 13.6125 13.6125 k = 0.0000 0.0122-0.0000 ( 2189 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3372 2.3372 9.2235 9.2235 10.2517 10.2517 10.2562 10.2562 10.5922 10.5922 10.5932 10.5932 10.5937 10.5937 12.1479 12.1479 12.3319 12.3319 12.3470 12.3470 12.3901 12.3901 12.5465 12.5465 12.5638 12.5638 12.9859 12.9859 12.9862 12.9862 13.4036 13.4036 13.5596 13.5596 13.6132 13.6132 k = 0.0000 0.0244-0.0000 ( 2177 PWs) bands (ev): -8.8741 -8.8741 -8.8740 -8.8740 -7.8535 -7.8535 -7.8533 -7.8533 -7.8336 -7.8336 2.3416 2.3416 9.2242 9.2242 10.2412 10.2412 10.2592 10.2592 10.5915 10.5915 10.5919 10.5919 10.5946 10.5946 12.1148 12.1148 12.3084 12.3084 12.3636 12.3636 12.3729 12.3729 12.5483 12.5483 12.6018 12.6018 12.9860 12.9860 12.9869 12.9869 13.4017 13.4017 13.5629 13.5629 13.6157 13.6168 k = 0.0000 0.0366-0.0000 ( 2169 PWs) bands (ev): -8.8741 -8.8741 -8.8739 -8.8739 -7.8534 -7.8534 -7.8531 -7.8531 -7.8336 -7.8336 2.3489 2.3489 9.2252 9.2252 10.2237 10.2237 10.2643 10.2643 10.5898 10.5898 10.5901 10.5901 10.5961 10.5961 12.0728 12.0728 12.2682 12.2682 12.3636 12.3636 12.3715 12.3715 12.5586 12.5586 12.6462 12.6462 12.9860 12.9860 12.9875 12.9875 13.3984 13.3984 13.5678 13.5678 13.6197 13.6197 k = 0.0000 0.0488-0.0000 ( 2169 PWs) bands (ev): -8.8740 -8.8740 -8.8737 -8.8737 -7.8534 -7.8534 -7.8528 -7.8528 -7.8336 -7.8336 2.3591 2.3591 9.2262 9.2262 10.1993 10.1993 10.2713 10.2713 10.5868 10.5868 10.5881 10.5881 10.5982 10.5982 12.0274 12.0274 12.2210 12.2210 12.3579 12.3579 12.3622 12.3622 12.5816 12.5816 12.6911 12.6911 12.9861 12.9861 12.9876 12.9876 13.3937 13.3937 13.5734 13.5734 13.6271 13.6271 k = 0.0000 0.0610-0.0000 ( 2173 PWs) bands (ev): -8.8740 -8.8740 -8.8734 -8.8734 -7.8533 -7.8533 -7.8524 -7.8524 -7.8337 -7.8337 2.3723 2.3723 9.2270 9.2270 10.1680 10.1680 10.2803 10.2803 10.5829 10.5829 10.5854 10.5854 10.6009 10.6009 11.9814 11.9814 12.1720 12.1720 12.3375 12.3375 12.3530 12.3530 12.6138 12.6138 12.7338 12.7338 12.9862 12.9862 12.9867 12.9867 13.3876 13.3876 13.5788 13.5788 13.6391 13.6391 k = 0.0000 0.0732-0.0000 ( 2176 PWs) bands (ev): -8.8739 -8.8739 -8.8731 -8.8731 -7.8532 -7.8532 -7.8519 -7.8519 -7.8337 -7.8337 2.3883 2.3883 9.2272 9.2272 10.1303 10.1303 10.2913 10.2913 10.5781 10.5781 10.5821 10.5821 10.6042 10.6042 11.9361 11.9361 12.1231 12.1231 12.3029 12.3029 12.3478 12.3478 12.6498 12.6498 12.7727 12.7727 12.9844 12.9844 12.9864 12.9864 13.3802 13.3802 13.5831 13.5831 13.6573 13.6573 k = 0.0000 0.0854-0.0000 ( 2176 PWs) bands (ev): -8.8739 -8.8739 -8.8728 -8.8728 -7.8531 -7.8531 -7.8513 -7.8513 -7.8337 -7.8337 2.4072 2.4072 9.2261 9.2261 10.0868 10.0868 10.3042 10.3042 10.5723 10.5723 10.5780 10.5780 10.6081 10.6081 11.8924 11.8924 12.0753 12.0753 12.2626 12.2626 12.3422 12.3422 12.6855 12.6855 12.8064 12.8064 12.9806 12.9806 12.9867 12.9867 13.3715 13.3715 13.5862 13.5862 13.6825 13.6825 k = 0.0000 0.0976-0.0000 ( 2184 PWs) bands (ev): -8.8738 -8.8738 -8.8724 -8.8724 -7.8530 -7.8530 -7.8506 -7.8506 -7.8337 -7.8337 2.4290 2.4290 9.2227 9.2227 10.0382 10.0382 10.3190 10.3190 10.5655 10.5655 10.5731 10.5731 10.6126 10.6126 11.8507 11.8507 12.0290 12.0290 12.2195 12.2195 12.3360 12.3360 12.7185 12.7185 12.8343 12.8343 12.9750 12.9750 12.9870 12.9870 13.3615 13.3615 13.5882 13.5882 13.7148 13.7148 k = 0.0000 0.1098-0.0000 ( 2184 PWs) bands (ev): -8.8737 -8.8737 -8.8720 -8.8720 -7.8529 -7.8529 -7.8499 -7.8499 -7.8337 -7.8337 2.4537 2.4537 9.2158 9.2158 9.9859 9.9859 10.3358 10.3358 10.5577 10.5577 10.5676 10.5676 10.6176 10.6176 11.8114 11.8114 11.9848 11.9848 12.1757 12.1757 12.3292 12.3292 12.7472 12.7472 12.8560 12.8560 12.9678 12.9678 12.9874 12.9874 13.3503 13.3503 13.5896 13.5896 13.7547 13.7547 k = 0.0000 0.1220-0.0000 ( 2196 PWs) bands (ev): -8.8736 -8.8736 -8.8715 -8.8715 -7.8527 -7.8527 -7.8490 -7.8490 -7.8337 -7.8337 2.4811 2.4811 9.2036 9.2036 9.9320 9.9320 10.3542 10.3542 10.5489 10.5489 10.5613 10.5613 10.6230 10.6230 11.7749 11.7749 11.9429 11.9429 12.1326 12.1326 12.3217 12.3217 12.7706 12.7706 12.8713 12.8713 12.9587 12.9587 12.9875 12.9875 13.3377 13.3377 13.5907 13.5907 13.8018 13.8018 k = 0.0000 0.1341-0.0000 ( 2196 PWs) bands (ev): -8.8735 -8.8735 -8.8710 -8.8710 -7.8526 -7.8526 -7.8481 -7.8481 -7.8337 -7.8337 2.5114 2.5114 9.1837 9.1837 9.8791 9.8791 10.3746 10.3746 10.5390 10.5390 10.5542 10.5542 10.6291 10.6291 11.7411 11.7411 11.9034 11.9034 12.0912 12.0912 12.3137 12.3137 12.7887 12.7887 12.8810 12.8810 12.9480 12.9480 12.9873 12.9873 13.3240 13.3240 13.5915 13.5915 13.8564 13.8564 k = 0.0000 0.1463-0.0000 ( 2200 PWs) bands (ev): -8.8734 -8.8734 -8.8704 -8.8704 -7.8524 -7.8524 -7.8472 -7.8472 -7.8337 -7.8337 2.5444 2.5444 9.1534 9.1534 9.8303 9.8303 10.3967 10.3967 10.5281 10.5281 10.5463 10.5463 10.6356 10.6356 11.7102 11.7102 11.8664 11.8664 12.0523 12.0523 12.3050 12.3050 12.8012 12.8012 12.8855 12.8855 12.9355 12.9355 12.9866 12.9866 13.3093 13.3093 13.5920 13.5920 13.9180 13.9180 k = 0.0000 0.1585-0.0000 ( 2200 PWs) bands (ev): -8.8733 -8.8733 -8.8698 -8.8698 -7.8523 -7.8523 -7.8462 -7.8462 -7.8337 -7.8337 2.5801 2.5801 9.1102 9.1102 9.7889 9.7889 10.4205 10.4205 10.5161 10.5161 10.5375 10.5375 10.6427 10.6427 11.6824 11.6824 11.8322 11.8322 12.0163 12.0163 12.2957 12.2957 12.8085 12.8085 12.8856 12.8856 12.9216 12.9216 12.9850 12.9850 13.2935 13.2935 13.5925 13.5925 13.9862 13.9862 k = 0.0000 0.1707-0.0000 ( 2200 PWs) bands (ev): -8.8732 -8.8732 -8.8692 -8.8692 -7.8521 -7.8521 -7.8451 -7.8451 -7.8337 -7.8337 2.6185 2.6185 9.0522 9.0522 9.7571 9.7571 10.4458 10.4458 10.5030 10.5030 10.5280 10.5280 10.6501 10.6501 11.6574 11.6574 11.8008 11.8008 11.9837 11.9837 12.2859 12.2859 12.8108 12.8108 12.8819 12.8819 12.9062 12.9062 12.9826 12.9826 13.2768 13.2768 13.5928 13.5928 14.0604 14.0604 k = 0.0000 0.1829-0.0000 ( 2204 PWs) bands (ev): -8.8730 -8.8730 -8.8686 -8.8686 -7.8519 -7.8519 -7.8440 -7.8440 -7.8337 -7.8337 2.6595 2.6595 8.9792 8.9792 9.7359 9.7359 10.4723 10.4723 10.4890 10.4890 10.5181 10.5181 10.6580 10.6580 11.6354 11.6354 11.7722 11.7722 11.9544 11.9544 12.2757 12.2757 12.8086 12.8086 12.8748 12.8748 12.8892 12.8892 12.9792 12.9792 13.2594 13.2594 13.5931 13.5931 14.1401 14.1401 k = 0.0000 0.1951-0.0000 ( 2204 PWs) bands (ev): -8.8729 -8.8729 -8.8679 -8.8679 -7.8517 -7.8517 -7.8429 -7.8429 -7.8338 -7.8338 2.7031 2.7031 8.8925 8.8925 9.7247 9.7247 10.4740 10.4740 10.4962 10.4962 10.5115 10.5115 10.6663 10.6663 11.6161 11.6161 11.7466 11.7466 11.9285 11.9285 12.2649 12.2649 12.8026 12.8026 12.8647 12.8647 12.8712 12.8712 12.9748 12.9748 13.2413 13.2413 13.5933 13.5933 14.2247 14.2247 k = 0.0000 0.2073-0.0000 ( 2204 PWs) bands (ev): -8.8728 -8.8728 -8.8673 -8.8673 -7.8515 -7.8515 -7.8417 -7.8417 -7.8338 -7.8338 2.7492 2.7492 8.7942 8.7942 9.7220 9.7220 10.4581 10.4581 10.4920 10.4920 10.5336 10.5336 10.6750 10.6750 11.5997 11.5997 11.7237 11.7237 11.9059 11.9059 12.2538 12.2538 12.7931 12.7931 12.8520 12.8520 12.8521 12.8521 12.9695 12.9695 13.2227 13.2227 13.5935 13.5935 14.3137 14.3137 k = 0.0000 0.2195-0.0000 ( 2204 PWs) bands (ev): -8.8726 -8.8726 -8.8666 -8.8666 -7.8513 -7.8513 -7.8405 -7.8405 -7.8338 -7.8338 2.7977 2.7977 8.6866 8.6866 9.7263 9.7263 10.4416 10.4416 10.4799 10.4799 10.5643 10.5643 10.6839 10.6839 11.5859 11.5859 11.7037 11.7037 11.8864 11.8864 12.2423 12.2423 12.7807 12.7807 12.8317 12.8317 12.8372 12.8372 12.9630 12.9630 13.2041 13.2041 13.5937 13.5937 14.4066 14.4066 k = 0.0000 0.2317-0.0000 ( 2196 PWs) bands (ev): -8.8725 -8.8725 -8.8659 -8.8659 -7.8511 -7.8511 -7.8392 -7.8392 -7.8338 -7.8338 2.8486 2.8486 8.5719 8.5719 9.7360 9.7360 10.4245 10.4245 10.4669 10.4669 10.5968 10.5968 10.6932 10.6932 11.5747 11.5747 11.6865 11.6865 11.8698 11.8698 12.2305 12.2305 12.7658 12.7658 12.8105 12.8105 12.8203 12.8203 12.9552 12.9552 13.1857 13.1857 13.5938 13.5938 14.5031 14.5031 k = 0.0000 0.2439-0.0000 ( 2196 PWs) bands (ev): -8.8724 -8.8724 -8.8652 -8.8652 -7.8509 -7.8509 -7.8380 -7.8380 -7.8338 -7.8338 2.9016 2.9016 8.4518 8.4518 9.7498 9.7498 10.4068 10.4068 10.4531 10.4531 10.6305 10.6305 10.7027 10.7027 11.5659 11.5659 11.6719 11.6719 11.8558 11.8558 12.2185 12.2185 12.7488 12.7488 12.7884 12.7884 12.8018 12.8018 12.9458 12.9458 13.1677 13.1677 13.5940 13.5940 14.6025 14.6025 k = 0.0000 0.2561-0.0000 ( 2200 PWs) bands (ev): -8.8722 -8.8722 -8.8645 -8.8645 -7.8507 -7.8507 -7.8367 -7.8367 -7.8338 -7.8338 2.9569 2.9569 8.3279 8.3279 9.7669 9.7669 10.3888 10.3888 10.4388 10.4388 10.6650 10.6650 10.7125 10.7125 11.5593 11.5593 11.6597 11.6597 11.8443 11.8443 12.2062 12.2062 12.7302 12.7302 12.7653 12.7653 12.7821 12.7821 12.9343 12.9343 13.1506 13.1506 13.5941 13.5941 14.7047 14.7047 k = 0.0000 0.2683-0.0000 ( 2200 PWs) bands (ev): -8.8721 -8.8721 -8.8638 -8.8638 -7.8505 -7.8505 -7.8355 -7.8355 -7.8338 -7.8338 3.0140 3.0140 8.2014 8.2014 9.7864 9.7864 10.3706 10.3706 10.4242 10.4242 10.7000 10.7000 10.7230 10.7230 11.5549 11.5549 11.6500 11.6500 11.8349 11.8349 12.1939 12.1939 12.7100 12.7100 12.7416 12.7416 12.7611 12.7611 12.9207 12.9207 13.1349 13.1349 13.5942 13.5942 14.8093 14.8093 k = 0.0000 0.2805-0.0000 ( 2200 PWs) bands (ev): -8.8720 -8.8720 -8.8631 -8.8631 -7.8503 -7.8503 -7.8342 -7.8342 -7.8338 -7.8338 3.0731 3.0731 8.0734 8.0734 9.8077 9.8077 10.3525 10.3525 10.4095 10.4095 10.7282 10.7282 10.7412 10.7412 11.5525 11.5525 11.6426 11.6426 11.8275 11.8275 12.1816 12.1816 12.6887 12.6887 12.7175 12.7175 12.7393 12.7393 12.9047 12.9047 13.1208 13.1208 13.5943 13.5943 14.9161 14.9161 k = 0.0000 0.2927-0.0000 ( 2208 PWs) bands (ev): -8.8718 -8.8718 -8.8624 -8.8624 -7.8501 -7.8501 -7.8338 -7.8338 -7.8330 -7.8330 3.1337 3.1337 7.9448 7.9448 9.8304 9.8304 10.3344 10.3344 10.3947 10.3947 10.7403 10.7403 10.7762 10.7762 11.5519 11.5519 11.6373 11.6373 11.8216 11.8216 12.1692 12.1692 12.6664 12.6664 12.6928 12.6928 12.7166 12.7166 12.8862 12.8862 13.1084 13.1084 13.5943 13.5943 15.0247 15.0247 k = 0.0000 0.3049-0.0000 ( 2200 PWs) bands (ev): -8.8717 -8.8717 -8.8618 -8.8618 -7.8499 -7.8499 -7.8338 -7.8338 -7.8318 -7.8318 3.1958 3.1958 7.8165 7.8165 9.8541 9.8541 10.3167 10.3167 10.3801 10.3801 10.7504 10.7504 10.8135 10.8135 11.5530 11.5530 11.6340 11.6340 11.8174 11.8174 12.1570 12.1570 12.6437 12.6437 12.6679 12.6679 12.6937 12.6937 12.8653 12.8653 13.0979 13.0979 13.5944 13.5944 15.1350 15.1350 k = 0.0000 0.3171-0.0000 ( 2200 PWs) bands (ev): -8.8716 -8.8716 -8.8611 -8.8611 -7.8497 -7.8497 -7.8339 -7.8339 -7.8307 -7.8307 3.2591 3.2591 7.6892 7.6892 9.8782 9.8782 10.2994 10.2994 10.3657 10.3657 10.7603 10.7603 10.8513 10.8513 11.5556 11.5556 11.6323 11.6323 11.8144 11.8144 12.1450 12.1450 12.6207 12.6207 12.6428 12.6428 12.6707 12.6707 12.8422 12.8422 13.0891 13.0891 13.5945 13.5945 15.2465 15.2465 k = 0.0000 0.3293-0.0000 ( 2200 PWs) bands (ev): -8.8714 -8.8714 -8.8605 -8.8605 -7.8495 -7.8495 -7.8339 -7.8339 -7.8295 -7.8295 3.3233 3.3233 7.5636 7.5636 9.9027 9.9027 10.2826 10.2826 10.3516 10.3516 10.7699 10.7699 10.8892 10.8892 11.5594 11.5594 11.6323 11.6323 11.8127 11.8127 12.1332 12.1332 12.5977 12.5977 12.6177 12.6177 12.6476 12.6476 12.8173 12.8173 13.0818 13.0818 13.5945 13.5945 15.3590 15.3590 k = 0.0000 0.3415-0.0000 ( 2196 PWs) bands (ev): -8.8713 -8.8713 -8.8599 -8.8599 -7.8493 -7.8493 -7.8339 -7.8339 -7.8284 -7.8284 3.3880 3.3880 7.4405 7.4405 9.9271 9.9271 10.2666 10.2666 10.3381 10.3381 10.7791 10.7791 10.9270 10.9270 11.5644 11.5644 11.6336 11.6336 11.8118 11.8118 12.1217 12.1217 12.5747 12.5747 12.5928 12.5928 12.6248 12.6248 12.7911 12.7911 13.0757 13.0757 13.5946 13.5946 15.4724 15.4724 k = 0.0000 0.3537-0.0000 ( 2196 PWs) bands (ev): -8.8712 -8.8712 -8.8594 -8.8594 -7.8492 -7.8492 -7.8339 -7.8339 -7.8274 -7.8274 3.4529 3.4529 7.3206 7.3206 9.9511 9.9511 10.2513 10.2513 10.3250 10.3250 10.7881 10.7881 10.9643 10.9643 11.5703 11.5703 11.6361 11.6361 11.8118 11.8118 12.1107 12.1107 12.5522 12.5522 12.5683 12.5683 12.6024 12.6024 12.7639 12.7639 13.0709 13.0709 13.5947 13.5947 15.5859 15.5859 k = 0.0000 0.3659-0.0000 ( 2180 PWs) bands (ev): -8.8711 -8.8711 -8.8589 -8.8589 -7.8490 -7.8490 -7.8339 -7.8339 -7.8264 -7.8264 3.5174 3.5174 7.2046 7.2046 9.9747 9.9747 10.2369 10.2369 10.3127 10.3127 10.7968 10.7968 11.0011 11.0011 11.5769 11.5769 11.6395 11.6395 11.8126 11.8126 12.1004 12.1004 12.5303 12.5303 12.5446 12.5446 12.5807 12.5807 12.7365 12.7365 13.0669 13.0669 13.5950 13.5950 15.6993 15.6993 k = 0.0000 0.3780-0.0000 ( 2188 PWs) bands (ev): -8.8710 -8.8710 -8.8584 -8.8584 -7.8489 -7.8489 -7.8339 -7.8339 -7.8255 -7.8255 3.5810 3.5810 7.0934 7.0934 9.9971 9.9971 10.2235 10.2235 10.3010 10.3010 10.8048 10.8048 11.0367 11.0367 11.5839 11.5839 11.6436 11.6436 11.8138 11.8138 12.0904 12.0904 12.5091 12.5091 12.5215 12.5215 12.5597 12.5597 12.7087 12.7087 13.0636 13.0636 13.5951 13.5951 15.8120 15.8120 k = 0.0000 0.3902-0.0000 ( 2188 PWs) bands (ev): -8.8709 -8.8709 -8.8579 -8.8579 -7.8487 -7.8487 -7.8339 -7.8339 -7.8247 -7.8247 3.6431 3.6431 6.9877 6.9877 10.0183 10.0183 10.2112 10.2112 10.2903 10.2903 10.8125 10.8125 11.0708 11.0708 11.5913 11.5913 11.6484 11.6484 11.8154 11.8154 12.0812 12.0812 12.4890 12.4890 12.4995 12.4995 12.5399 12.5399 12.6814 12.6814 13.0609 13.0609 13.5951 13.5951 15.9233 15.9233 k = 0.0000 0.4024-0.0000 ( 2184 PWs) bands (ev): -8.8708 -8.8708 -8.8575 -8.8575 -7.8486 -7.8486 -7.8339 -7.8339 -7.8239 -7.8239 3.7029 3.7029 6.8884 6.8884 10.0381 10.0381 10.2001 10.2001 10.2805 10.2805 10.8196 10.8196 11.1033 11.1033 11.5988 11.5988 11.6535 11.6535 11.8174 11.8174 12.0728 12.0728 12.4703 12.4703 12.4789 12.4789 12.5214 12.5214 12.6550 12.6550 13.0588 13.0588 13.5952 13.5952 16.0324 16.0324 k = 0.0000 0.4146-0.0000 ( 2184 PWs) bands (ev): -8.8708 -8.8708 -8.8571 -8.8571 -7.8485 -7.8485 -7.8339 -7.8339 -7.8232 -7.8232 3.7595 3.7595 6.7968 6.7968 10.0561 10.0561 10.1902 10.1902 10.2716 10.2716 10.8260 10.8260 11.1334 11.1334 11.6061 11.6061 11.6587 11.6587 11.8194 11.8194 12.0651 12.0651 12.4530 12.4530 12.4598 12.4598 12.5043 12.5043 12.6301 12.6301 13.0570 13.0570 13.5952 13.5952 16.1380 16.1380 k = 0.0000 0.4268-0.0000 ( 2184 PWs) bands (ev): -8.8707 -8.8707 -8.8568 -8.8568 -7.8484 -7.8484 -7.8339 -7.8339 -7.8226 -7.8226 3.8119 3.8119 6.7137 6.7137 10.0721 10.0721 10.1816 10.1816 10.2639 10.2639 10.8316 10.8316 11.1609 11.1609 11.6132 11.6132 11.6638 11.6638 11.8218 11.8218 12.0584 12.0584 12.4373 12.4373 12.4427 12.4427 12.4887 12.4887 12.6070 12.6070 13.0555 13.0555 13.5952 13.5952 16.2388 16.2388 k = 0.0000 0.4390-0.0000 ( 2184 PWs) bands (ev): -8.8706 -8.8706 -8.8565 -8.8565 -7.8483 -7.8483 -7.8339 -7.8339 -7.8221 -7.8221 3.8591 3.8591 6.6404 6.6404 10.0859 10.0859 10.1744 10.1744 10.2572 10.2572 10.8366 10.8366 11.1852 11.1852 11.6195 11.6195 11.6685 11.6685 11.8238 11.8238 12.0526 12.0526 12.4236 12.4236 12.4276 12.4276 12.4752 12.4752 12.5863 12.5863 13.0544 13.0544 13.5952 13.5952 16.3327 16.3327 k = 0.0000 0.4512-0.0000 ( 2188 PWs) bands (ev): -8.8706 -8.8706 -8.8563 -8.8563 -7.8483 -7.8483 -7.8339 -7.8339 -7.8216 -7.8216 3.8999 3.8999 6.5782 6.5782 10.0973 10.0973 10.1687 10.1687 10.2517 10.2517 10.8407 10.8407 11.2059 11.2059 11.6251 11.6251 11.6727 11.6727 11.8256 11.8256 12.0478 12.0478 12.4120 12.4120 12.4148 12.4148 12.4638 12.4638 12.5685 12.5685 13.0535 13.0535 13.5953 13.5953 16.4172 16.4172 k = 0.0000 0.4634-0.0000 ( 2188 PWs) bands (ev): -8.8706 -8.8706 -8.8561 -8.8561 -7.8482 -7.8482 -7.8339 -7.8339 -7.8213 -7.8213 3.9331 3.9331 6.5282 6.5282 10.1061 10.1061 10.1645 10.1645 10.2474 10.2474 10.8440 10.8440 11.2226 11.2226 11.6296 11.6296 11.6762 11.6762 11.8271 11.8271 12.0440 12.0440 12.4027 12.4027 12.4047 12.4047 12.4547 12.4547 12.5542 12.5542 13.0528 13.0528 13.5953 13.5953 16.4889 16.4889 k = 0.0000 0.4756-0.0000 ( 2188 PWs) bands (ev): -8.8705 -8.8705 -8.8560 -8.8560 -7.8482 -7.8482 -7.8339 -7.8339 -7.8211 -7.8211 3.9577 3.9577 6.4916 6.4916 10.1122 10.1122 10.1617 10.1617 10.2443 10.2443 10.8463 10.8463 11.2348 11.2348 11.6330 11.6330 11.6788 11.6788 11.8283 11.8283 12.0413 12.0413 12.3959 12.3959 12.3974 12.3974 12.4481 12.4481 12.5436 12.5436 13.0524 13.0524 13.5953 13.5953 16.5443 16.5443 k = 0.0000 0.4878-0.0000 ( 2172 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9729 3.9729 6.4692 6.4692 10.1160 10.1160 10.1604 10.1604 10.2427 10.2427 10.8478 10.8478 11.2423 11.2423 11.6352 11.6352 11.6806 11.6806 11.8291 11.8291 12.0398 12.0398 12.3918 12.3918 12.3930 12.3930 12.4440 12.4440 12.5371 12.5371 13.0521 13.0521 13.5955 13.5955 16.5796 16.5796 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9780 3.9780 6.4617 6.4617 10.1171 10.1171 10.1599 10.1599 10.2421 10.2421 10.8482 10.8482 11.2448 11.2448 11.6360 11.6360 11.6811 11.6811 11.8293 11.8293 12.0393 12.0393 12.3904 12.3904 12.3915 12.3915 12.4427 12.4427 12.5351 12.5351 13.0520 13.0520 13.5955 13.5955 16.5917 16.5917 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9780 3.9780 6.4617 6.4617 10.1171 10.1171 10.1599 10.1599 10.2421 10.2421 10.8482 10.8482 11.2448 11.2448 11.6360 11.6360 11.6811 11.6811 11.8293 11.8293 12.0393 12.0393 12.3904 12.3904 12.3915 12.3915 12.4427 12.4427 12.5351 12.5351 13.0520 13.0520 13.5955 13.5955 16.5917 16.5917 k = 0.0122 0.5000-0.0000 ( 2184 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9792 3.9792 6.4631 6.4631 10.1172 10.1172 10.1585 10.1585 10.2405 10.2405 10.8485 10.8485 11.2450 11.2450 11.6343 11.6343 11.6793 11.6793 11.8321 11.8321 12.0383 12.0383 12.3720 12.3720 12.4051 12.4051 12.4486 12.4486 12.5352 12.5352 13.0516 13.0516 13.5939 13.5939 16.5805 16.5805 k = 0.0244 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8480 -7.8480 -7.8339 -7.8339 -7.8208 -7.8208 3.9827 3.9827 6.4674 6.4674 10.1180 10.1180 10.1546 10.1546 10.2363 10.2363 10.8491 10.8491 11.2457 11.2457 11.6292 11.6292 11.6750 11.6750 11.8399 11.8399 12.0357 12.0357 12.3509 12.3509 12.4138 12.4138 12.4644 12.4644 12.5356 12.5356 13.0503 13.0503 13.5896 13.5896 16.5431 16.5431 k = 0.0366 0.5000-0.0000 ( 2198 PWs) bands (ev): -8.8704 -8.8704 -8.8559 -8.8559 -7.8479 -7.8479 -7.8340 -7.8340 -7.8208 -7.8208 3.9886 3.9886 6.4745 6.4745 10.1183 10.1183 10.1485 10.1485 10.2302 10.2302 10.8502 10.8502 11.2470 11.2470 11.6196 11.6196 11.6706 11.6706 11.8512 11.8512 12.0317 12.0317 12.3295 12.3295 12.4202 12.4202 12.4850 12.4850 12.5367 12.5367 13.0481 13.0481 13.5828 13.5828 16.4738 16.4738 k = 0.0488 0.5000-0.0000 ( 2198 PWs) bands (ev): -8.8703 -8.8703 -8.8559 -8.8559 -7.8477 -7.8477 -7.8341 -7.8341 -7.8207 -7.8207 3.9968 3.9968 6.4844 6.4844 10.1143 10.1143 10.1431 10.1431 10.2231 10.2231 10.8516 10.8516 11.2487 11.2487 11.6055 11.6055 11.6676 11.6676 11.8646 11.8646 12.0265 12.0265 12.3082 12.3082 12.4265 12.4265 12.5074 12.5074 12.5383 12.5383 13.0451 13.0451 13.5733 13.5733 16.3768 16.3768 k = 0.0610 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8701 -8.8701 -8.8559 -8.8559 -7.8475 -7.8475 -7.8342 -7.8342 -7.8206 -7.8206 4.0073 4.0073 6.4971 6.4971 10.1005 10.1005 10.1429 10.1429 10.2161 10.2161 10.8535 10.8535 11.2507 11.2507 11.5878 11.5878 11.6660 11.6660 11.8790 11.8790 12.0203 12.0203 12.2876 12.2876 12.4334 12.4334 12.5287 12.5287 12.5420 12.5420 13.0413 13.0413 13.5614 13.5614 16.2628 16.2628 k = 0.0732 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8700 -8.8700 -8.8559 -8.8559 -7.8472 -7.8472 -7.8343 -7.8343 -7.8205 -7.8205 4.0202 4.0202 6.5126 6.5126 10.0769 10.0769 10.1471 10.1471 10.2097 10.2097 10.8560 10.8560 11.2530 11.2530 11.5677 11.5677 11.6655 11.6655 11.8936 11.8936 12.0134 12.0134 12.2677 12.2677 12.4410 12.4410 12.5382 12.5382 12.5581 12.5581 13.0366 13.0366 13.5469 13.5469 16.1402 16.1402 k = 0.0854 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8698 -8.8698 -8.8559 -8.8559 -7.8468 -7.8468 -7.8345 -7.8345 -7.8204 -7.8204 4.0353 4.0353 6.5308 6.5308 10.0458 10.0458 10.1538 10.1538 10.2041 10.2041 10.8587 10.8587 11.2553 11.2553 11.5458 11.5458 11.6656 11.6656 11.9073 11.9073 12.0065 12.0065 12.2489 12.2489 12.4493 12.4493 12.5409 12.5409 12.5809 12.5809 13.0310 13.0310 13.5302 13.5302 16.0142 16.0142 k = 0.0976 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8696 -8.8696 -8.8559 -8.8559 -7.8465 -7.8465 -7.8347 -7.8347 -7.8202 -7.8202 4.0527 4.0527 6.5518 6.5518 10.0082 10.0082 10.1620 10.1620 10.1993 10.1993 10.8618 10.8618 11.2577 11.2577 11.5228 11.5228 11.6663 11.6663 11.9194 11.9194 12.0006 12.0006 12.2312 12.2312 12.4580 12.4580 12.5430 12.5430 12.6043 12.6043 13.0245 13.0245 13.5113 13.5113 15.8880 15.8880 k = 0.1098 0.5000-0.0000 ( 2188 PWs) bands (ev): -8.8694 -8.8694 -8.8559 -8.8559 -7.8461 -7.8461 -7.8349 -7.8349 -7.8201 -7.8201 4.0724 4.0724 6.5754 6.5754 9.9648 9.9648 10.1706 10.1706 10.1955 10.1955 10.8654 10.8654 11.2599 11.2599 11.4991 11.4991 11.6673 11.6673 11.9283 11.9283 11.9970 11.9970 12.2148 12.2148 12.4672 12.4672 12.5447 12.5447 12.6274 12.6274 13.0172 13.0172 13.4904 13.4904 15.7634 15.7634 k = 0.1220 0.5000-0.0000 ( 2188 PWs) bands (ev): -8.8691 -8.8691 -8.8559 -8.8559 -7.8456 -7.8456 -7.8351 -7.8351 -7.8198 -7.8198 4.0943 4.0943 6.6017 6.6017 9.9161 9.9161 10.1776 10.1776 10.1946 10.1946 10.8692 10.8692 11.2619 11.2619 11.4748 11.4748 11.6686 11.6686 11.9321 11.9321 11.9975 11.9975 12.2000 12.2000 12.4766 12.4766 12.5462 12.5462 12.6500 12.6500 13.0091 13.0091 13.4675 13.4675 15.6417 15.6417 k = 0.1341 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8689 -8.8689 -8.8559 -8.8559 -7.8451 -7.8451 -7.8354 -7.8354 -7.8196 -7.8196 4.1184 4.1184 6.6305 6.6305 9.8624 9.8624 10.1786 10.1786 10.2007 10.2007 10.8734 10.8734 11.2635 11.2635 11.4502 11.4502 11.6702 11.6702 11.9304 11.9304 12.0028 12.0028 12.1867 12.1867 12.4860 12.4860 12.5474 12.5474 12.6719 12.6719 13.0000 13.0000 13.4430 13.4430 15.5237 15.5237 k = 0.1463 0.5000-0.0000 ( 2184 PWs) bands (ev): -8.8686 -8.8686 -8.8559 -8.8559 -7.8447 -7.8447 -7.8356 -7.8356 -7.8193 -7.8193 4.1446 4.1446 6.6619 6.6619 9.8040 9.8040 10.1755 10.1755 10.2118 10.2118 10.8780 10.8780 11.2647 11.2647 11.4254 11.4254 11.6721 11.6721 11.9248 11.9248 12.0115 12.0115 12.1752 12.1752 12.4956 12.4956 12.5481 12.5481 12.6932 12.6932 12.9902 12.9902 13.4169 13.4169 15.4101 15.4101 k = 0.1585 0.5000-0.0000 ( 2184 PWs) bands (ev): -8.8683 -8.8683 -8.8560 -8.8560 -7.8442 -7.8442 -7.8359 -7.8359 -7.8190 -7.8190 4.1729 4.1729 6.6957 6.6957 9.7413 9.7413 10.1712 10.1712 10.2246 10.2246 10.8829 10.8829 11.2652 11.2652 11.4007 11.4007 11.6741 11.6741 11.9168 11.9168 12.0217 12.0217 12.1656 12.1656 12.5049 12.5049 12.5482 12.5482 12.7135 12.7135 12.9795 12.9795 13.3896 13.3896 15.3013 15.3013 k = 0.1707 0.5000-0.0000 ( 2184 PWs) bands (ev): -8.8680 -8.8680 -8.8559 -8.8559 -7.8436 -7.8436 -7.8362 -7.8362 -7.8187 -7.8187 4.2033 4.2033 6.7319 6.7319 9.6746 9.6746 10.1665 10.1665 10.2384 10.2384 10.8880 10.8880 11.2651 11.2651 11.3761 11.3761 11.6763 11.6763 11.9076 11.9076 12.0322 12.0322 12.1580 12.1580 12.5140 12.5140 12.5477 12.5477 12.7328 12.7328 12.9678 12.9678 13.3610 13.3610 15.1974 15.1974 k = 0.1829 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8677 -8.8677 -8.8559 -8.8559 -7.8431 -7.8431 -7.8365 -7.8365 -7.8183 -7.8183 4.2357 4.2357 6.7703 6.7703 9.6041 9.6041 10.1615 10.1615 10.2527 10.2527 10.8934 10.8934 11.2641 11.2641 11.3519 11.3519 11.6787 11.6787 11.8979 11.8979 12.0425 12.0425 12.1527 12.1527 12.5229 12.5229 12.5464 12.5464 12.7509 12.7509 12.9553 12.9553 13.3312 13.3312 15.0987 15.0987 k = 0.1951 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8673 -8.8673 -8.8559 -8.8559 -7.8427 -7.8427 -7.8367 -7.8367 -7.8179 -7.8179 4.2701 4.2701 6.8109 6.8109 9.5303 9.5303 10.1564 10.1564 10.2674 10.2674 10.8991 10.8991 11.2621 11.2621 11.3282 11.3282 11.6813 11.6813 11.8882 11.8882 12.0522 12.0522 12.1495 12.1495 12.5315 12.5315 12.5443 12.5443 12.7677 12.7677 12.9418 12.9418 13.3010 13.3010 15.0054 15.0054 k = 0.2073 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8670 -8.8670 -8.8559 -8.8559 -7.8422 -7.8422 -7.8370 -7.8370 -7.8174 -7.8174 4.3062 4.3062 6.8536 6.8536 9.4534 9.4534 10.1511 10.1511 10.2821 10.2821 10.9049 10.9049 11.2587 11.2587 11.3058 11.3058 11.6840 11.6840 11.8786 11.8786 12.0611 12.0611 12.1488 12.1488 12.5397 12.5397 12.5412 12.5412 12.7830 12.7830 12.9274 12.9274 13.2699 13.2699 14.9175 14.9175 k = 0.2195 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8667 -8.8667 -8.8559 -8.8559 -7.8418 -7.8418 -7.8373 -7.8373 -7.8169 -7.8169 4.3442 4.3442 6.8983 6.8983 9.3737 9.3737 10.1456 10.1456 10.2967 10.2967 10.9110 10.9110 11.2529 11.2529 11.2858 11.2858 11.6869 11.6869 11.8692 11.8692 12.0693 12.0693 12.1504 12.1504 12.5371 12.5371 12.5476 12.5476 12.7964 12.7964 12.9123 12.9123 13.2384 13.2384 14.8350 14.8350 k = 0.2317 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8664 -8.8664 -8.8559 -8.8559 -7.8415 -7.8415 -7.8374 -7.8374 -7.8164 -7.8164 4.3838 4.3838 6.9448 6.9448 9.2917 9.2917 10.1401 10.1401 10.3108 10.3108 10.9173 10.9173 11.2424 11.2424 11.2706 11.2706 11.6899 11.6899 11.8601 11.8601 12.0769 12.0769 12.1539 12.1539 12.5319 12.5319 12.5550 12.5550 12.8075 12.8075 12.8968 12.8968 13.2066 13.2066 14.7579 14.7579 k = 0.2439 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8661 -8.8661 -8.8558 -8.8558 -7.8412 -7.8412 -7.8376 -7.8376 -7.8159 -7.8159 4.4250 4.4250 6.9929 6.9929 9.2077 9.2077 10.1345 10.1345 10.3243 10.3243 10.9237 10.9237 11.2265 11.2265 11.2610 11.2610 11.6931 11.6931 11.8514 11.8514 12.0841 12.0841 12.1590 12.1590 12.5257 12.5257 12.5620 12.5620 12.8150 12.8150 12.8820 12.8820 13.1747 13.1747 14.6861 14.6861 k = 0.2561 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8658 -8.8658 -8.8558 -8.8558 -7.8411 -7.8411 -7.8376 -7.8376 -7.8153 -7.8153 4.4677 4.4677 7.0425 7.0425 9.1221 9.1221 10.1290 10.1290 10.3367 10.3367 10.9302 10.9302 11.2086 11.2086 11.2542 11.2542 11.6964 11.6964 11.8432 11.8432 12.0912 12.0912 12.1653 12.1653 12.5183 12.5183 12.5686 12.5686 12.8161 12.8161 12.8704 12.8704 13.1429 13.1429 14.6196 14.6196 k = 0.2683 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8655 -8.8655 -8.8558 -8.8558 -7.8411 -7.8411 -7.8375 -7.8375 -7.8147 -7.8147 4.5116 4.5116 7.0934 7.0934 9.0353 9.0353 10.1234 10.1234 10.3478 10.3478 10.9367 10.9367 11.1909 11.1909 11.2481 11.2481 11.6998 11.6998 11.8354 11.8354 12.0987 12.0987 12.1724 12.1724 12.5099 12.5099 12.5747 12.5747 12.8075 12.8075 12.8655 12.8655 13.1113 13.1113 14.5581 14.5581 k = 0.2805 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8652 -8.8652 -8.8557 -8.8557 -7.8412 -7.8412 -7.8373 -7.8373 -7.8141 -7.8141 4.5567 4.5567 7.1454 7.1454 8.9478 8.9478 10.1178 10.1178 10.3572 10.3572 10.9434 10.9434 11.1742 11.1742 11.2420 11.2420 11.7033 11.7033 11.8282 11.8282 12.1066 12.1066 12.1801 12.1801 12.5004 12.5004 12.5804 12.5804 12.7902 12.7902 12.8659 12.8659 13.0800 13.0800 14.5016 14.5016 k = 0.2927 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8649 -8.8649 -8.8557 -8.8557 -7.8414 -7.8414 -7.8371 -7.8371 -7.8134 -7.8134 4.6028 4.6028 7.1983 7.1983 8.8601 8.8601 10.1124 10.1124 10.3646 10.3646 10.9500 10.9500 11.1593 11.1593 11.2359 11.2359 11.7068 11.7068 11.8215 11.8215 12.1151 12.1151 12.1879 12.1879 12.4899 12.4899 12.5855 12.5855 12.7678 12.7678 12.8681 12.8681 13.0493 13.0493 14.4498 14.4498 k = 0.3049 0.5000-0.0000 ( 2198 PWs) bands (ev): -8.8647 -8.8647 -8.8556 -8.8556 -7.8417 -7.8417 -7.8368 -7.8368 -7.8128 -7.8128 4.6496 4.6496 7.2517 7.2517 8.7725 8.7725 10.1071 10.1071 10.3695 10.3695 10.9565 10.9565 11.1464 11.1464 11.2296 11.2296 11.7104 11.7104 11.8153 11.8153 12.1242 12.1242 12.1959 12.1959 12.4786 12.4786 12.5902 12.5902 12.7425 12.7425 12.8701 12.8701 13.0195 13.0195 14.4026 14.4026 k = 0.3171 0.5000-0.0000 ( 2194 PWs) bands (ev): -8.8644 -8.8644 -8.8555 -8.8555 -7.8420 -7.8420 -7.8365 -7.8365 -7.8122 -7.8122 4.6969 4.6969 7.3055 7.3055 8.6856 8.6856 10.1019 10.1019 10.3718 10.3718 10.9629 10.9629 11.1357 11.1357 11.2233 11.2233 11.7140 11.7140 11.8097 11.8097 12.1338 12.1338 12.2038 12.2038 12.4665 12.4665 12.5943 12.5943 12.7151 12.7151 12.8712 12.8712 12.9906 12.9906 14.3598 14.3598 k = 0.3293 0.5000-0.0000 ( 2204 PWs) bands (ev): -8.8642 -8.8642 -8.8555 -8.8555 -7.8423 -7.8423 -7.8362 -7.8362 -7.8115 -7.8115 4.7444 4.7444 7.3591 7.3591 8.6000 8.6000 10.0969 10.0969 10.3713 10.3713 10.9691 10.9691 11.1276 11.1276 11.2170 11.2170 11.7174 11.7174 11.8047 11.8047 12.1439 12.1439 12.2115 12.2115 12.4537 12.4537 12.5974 12.5974 12.6864 12.6864 12.8707 12.8707 12.9629 12.9629 14.3212 14.3212 k = 0.3415 0.5000-0.0000 ( 2200 PWs) bands (ev): -8.8640 -8.8640 -8.8554 -8.8554 -7.8426 -7.8426 -7.8359 -7.8359 -7.8109 -7.8109 4.7919 4.7919 7.4123 7.4123 8.5161 8.5161 10.0921 10.0921 10.3677 10.3677 10.9753 10.9753 11.1220 11.1220 11.2107 11.2107 11.7208 11.7208 11.8003 11.8003 12.1545 12.1545 12.2191 12.2191 12.4402 12.4402 12.5990 12.5990 12.6580 12.6580 12.8688 12.8688 12.9367 12.9367 14.2866 14.2866 k = 0.3537 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8638 -8.8638 -8.8553 -8.8553 -7.8429 -7.8429 -7.8357 -7.8357 -7.8103 -7.8103 4.8390 4.8390 7.4647 7.4647 8.4347 8.4347 10.0875 10.0875 10.3612 10.3612 10.9811 10.9811 11.1190 11.1190 11.2047 11.2047 11.7240 11.7240 11.7965 11.7965 12.1654 12.1654 12.2264 12.2264 12.4263 12.4263 12.5956 12.5956 12.6335 12.6335 12.8651 12.8651 12.9129 12.9129 14.2557 14.2557 k = 0.3659 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8637 -8.8637 -8.8552 -8.8552 -7.8432 -7.8432 -7.8354 -7.8354 -7.8097 -7.8097 4.8853 4.8853 7.5157 7.5157 8.3562 8.3562 10.0831 10.0831 10.3520 10.3520 10.9866 10.9866 11.1184 11.1184 11.1988 11.1988 11.7269 11.7269 11.7933 11.7933 12.1763 12.1763 12.2334 12.2334 12.4121 12.4121 12.5790 12.5790 12.6218 12.6218 12.8578 12.8578 12.8926 12.8926 14.2284 14.2284 k = 0.3780 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8635 -8.8635 -8.8551 -8.8551 -7.8434 -7.8434 -7.8352 -7.8352 -7.8091 -7.8091 4.9303 4.9303 7.5648 7.5648 8.2814 8.2814 10.0791 10.0791 10.3403 10.3403 10.9918 10.9918 11.1199 11.1199 11.1931 11.1931 11.7295 11.7295 11.7908 11.7908 12.1871 12.1871 12.2401 12.2401 12.3975 12.3975 12.5525 12.5525 12.6200 12.6200 12.8457 12.8457 12.8780 12.8780 14.2042 14.2042 k = 0.3902 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8634 -8.8634 -8.8550 -8.8550 -7.8437 -7.8437 -7.8350 -7.8350 -7.8086 -7.8086 4.9736 4.9736 7.6115 7.6115 8.2111 8.2111 10.0753 10.0753 10.3267 10.3267 10.9966 10.9966 11.1233 11.1233 11.1879 11.1879 11.7318 11.7318 11.7888 11.7888 12.1978 12.1978 12.2465 12.2465 12.3828 12.3828 12.5244 12.5244 12.6208 12.6208 12.8295 12.8295 12.8684 12.8684 14.1831 14.1831 k = 0.4024 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8633 -8.8633 -8.8550 -8.8550 -7.8439 -7.8439 -7.8348 -7.8348 -7.8081 -7.8081 5.0147 5.0147 7.6549 7.6549 8.1461 8.1461 10.0720 10.0720 10.3117 10.3117 11.0011 11.0011 11.1280 11.1280 11.1829 11.1829 11.7337 11.7337 11.7874 11.7874 12.2080 12.2080 12.2525 12.2525 12.3679 12.3679 12.4973 12.4973 12.6222 12.6222 12.8124 12.8124 12.8613 12.8613 14.1649 14.1649 k = 0.4146 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8632 -8.8632 -8.8549 -8.8549 -7.8441 -7.8441 -7.8346 -7.8346 -7.8077 -7.8077 5.0530 5.0530 7.6943 7.6943 8.0873 8.0873 10.0690 10.0690 10.2961 10.2961 11.0051 11.0051 11.1337 11.1337 11.1786 11.1786 11.7351 11.7351 11.7866 11.7866 12.2177 12.2177 12.2581 12.2581 12.3533 12.3533 12.4722 12.4722 12.6237 12.6237 12.7961 12.7961 12.8550 12.8550 14.1492 14.1492 k = 0.4268 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8631 -8.8631 -8.8548 -8.8548 -7.8443 -7.8443 -7.8345 -7.8345 -7.8073 -7.8073 5.0879 5.0879 7.7285 7.7285 8.0359 8.0359 10.0663 10.0663 10.2804 10.2804 11.0087 11.0087 11.1398 11.1398 11.1747 11.1747 11.7362 11.7362 11.7862 11.7862 12.2266 12.2266 12.2633 12.2633 12.3387 12.3387 12.4501 12.4501 12.6251 12.6251 12.7813 12.7813 12.8492 12.8492 14.1359 14.1359 k = 0.4390 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8630 -8.8630 -8.8548 -8.8548 -7.8445 -7.8445 -7.8344 -7.8344 -7.8069 -7.8069 5.1187 5.1187 7.7564 7.7564 7.9933 7.9933 10.0641 10.0641 10.2656 10.2656 11.0117 11.0117 11.1460 11.1460 11.1713 11.1713 11.7369 11.7369 11.7861 11.7861 12.2348 12.2348 12.2681 12.2681 12.3247 12.3247 12.4312 12.4312 12.6264 12.6264 12.7684 12.7684 12.8439 12.8439 14.1246 14.1246 k = 0.4512 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8630 -8.8630 -8.8547 -8.8547 -7.8446 -7.8446 -7.8343 -7.8343 -7.8067 -7.8067 5.1450 5.1450 7.7764 7.7764 7.9611 7.9611 10.0623 10.0623 10.2522 10.2522 11.0142 11.0142 11.1517 11.1517 11.1685 11.1685 11.7374 11.7374 11.7863 11.7863 12.2421 12.2421 12.2722 12.2722 12.3116 12.3116 12.4158 12.4158 12.6274 12.6274 12.7576 12.7576 12.8392 12.8392 14.1151 14.1151 k = 0.4634 0.5000-0.0000 ( 2196 PWs) bands (ev): -8.8629 -8.8629 -8.8547 -8.8547 -7.8447 -7.8447 -7.8342 -7.8342 -7.8064 -7.8064 5.1661 5.1661 7.7876 7.7876 7.9403 7.9403 10.0609 10.0609 10.2410 10.2410 11.0162 11.0162 11.1565 11.1565 11.1663 11.1663 11.7377 11.7377 11.7865 11.7865 12.2488 12.2488 12.2754 12.2754 12.2998 12.2998 12.4040 12.4040 12.6282 12.6282 12.7492 12.7492 12.8353 12.8353 14.1072 14.1072 k = 0.4756 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8448 -7.8448 -7.8342 -7.8342 -7.8063 -7.8063 5.1816 5.1816 7.7911 7.7911 7.9299 7.9299 10.0599 10.0599 10.2326 10.2326 11.0177 11.0177 11.1602 11.1602 11.1648 11.1648 11.7379 11.7379 11.7868 11.7868 12.2550 12.2550 12.2775 12.2775 12.2902 12.2902 12.3956 12.3956 12.6288 12.6288 12.7431 12.7431 12.8325 12.8325 14.1011 14.1011 k = 0.4878 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8062 -7.8062 5.1910 5.1910 7.7906 7.7906 7.9262 7.9262 10.0593 10.0593 10.2273 10.2273 11.0186 11.0186 11.1623 11.1623 11.1641 11.1641 11.7379 11.7379 11.7870 11.7870 12.2605 12.2605 12.2766 12.2766 12.2845 12.2845 12.3907 12.3907 12.6292 12.6292 12.7394 12.7394 12.8307 12.8307 14.0971 14.0971 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8061 -7.8061 5.1942 5.1942 7.7899 7.7899 7.9254 7.9254 10.0591 10.0591 10.2256 10.2256 11.0188 11.0188 11.1627 11.1627 11.1642 11.1642 11.7380 11.7380 11.7871 11.7871 12.2636 12.2636 12.2742 12.2742 12.2835 12.2835 12.3890 12.3890 12.6293 12.6293 12.7382 12.7382 12.8301 12.8301 14.0957 14.0957 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8061 -7.8061 5.1942 5.1942 7.7899 7.7899 7.9254 7.9254 10.0591 10.0591 10.2256 10.2256 11.0188 11.0188 11.1627 11.1627 11.1642 11.1642 11.7380 11.7380 11.7871 11.7871 12.2636 12.2636 12.2742 12.2742 12.2835 12.2835 12.3890 12.3890 12.6293 12.6293 12.7382 12.7382 12.8301 12.8301 14.0957 14.0957 k = 0.4914 0.4914-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8062 -7.8062 5.1910 5.1910 7.7907 7.7907 7.9261 7.9261 10.0593 10.0593 10.2273 10.2273 11.0186 11.0186 11.1622 11.1622 11.1643 11.1643 11.7379 11.7379 11.7870 11.7870 12.2606 12.2606 12.2766 12.2766 12.2845 12.2845 12.3907 12.3907 12.6292 12.6292 12.7394 12.7394 12.8307 12.8307 14.0970 14.0970 k = 0.4828 0.4828-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8448 -7.8448 -7.8342 -7.8342 -7.8063 -7.8063 5.1815 5.1815 7.7930 7.7930 7.9281 7.9281 10.0599 10.0599 10.2326 10.2326 11.0177 11.0177 11.1594 11.1594 11.1656 11.1656 11.7371 11.7371 11.7876 11.7876 12.2554 12.2554 12.2778 12.2778 12.2898 12.2898 12.3955 12.3955 12.6288 12.6288 12.7431 12.7431 12.8325 12.8325 14.0995 14.0995 k = 0.4741 0.4741-0.0000 ( 2198 PWs) bands (ev): -8.8629 -8.8629 -8.8547 -8.8547 -7.8447 -7.8447 -7.8342 -7.8342 -7.8064 -7.8064 5.1657 5.1657 7.7967 7.7967 7.9316 7.9316 10.0608 10.0608 10.2410 10.2410 11.0163 11.0163 11.1545 11.1545 11.1682 11.1682 11.7340 11.7340 11.7902 11.7902 12.2500 12.2500 12.2764 12.2764 12.2986 12.2986 12.4032 12.4032 12.6281 12.6281 12.7491 12.7491 12.8354 12.8354 14.1013 14.1013 k = 0.4655 0.4655-0.0000 ( 2200 PWs) bands (ev): -8.8630 -8.8630 -8.8547 -8.8547 -7.8446 -7.8446 -7.8343 -7.8343 -7.8067 -7.8067 5.1438 5.1438 7.8018 7.8018 7.9369 7.9369 10.0623 10.0623 10.2522 10.2522 11.0146 11.0146 11.1477 11.1477 11.1719 11.1719 11.7273 11.7273 11.7965 11.7965 12.2447 12.2447 12.2745 12.2745 12.3092 12.3092 12.4135 12.4135 12.6271 12.6271 12.7575 12.7575 12.8396 12.8396 14.1021 14.1021 k = 0.4569 0.4569-0.0000 ( 2196 PWs) bands (ev): -8.8630 -8.8630 -8.8548 -8.8548 -7.8445 -7.8445 -7.8344 -7.8344 -7.8070 -7.8070 5.1159 5.1159 7.8084 7.8084 7.9443 7.9443 10.0642 10.0642 10.2655 10.2655 11.0126 11.0126 11.1392 11.1392 11.1767 11.1767 11.7165 11.7165 11.8067 11.8067 12.2391 12.2391 12.2730 12.2730 12.3212 12.3212 12.4260 12.4260 12.6258 12.6258 12.7680 12.7680 12.8447 12.8447 14.1025 14.1025 k = 0.4483 0.4483-0.0000 ( 2196 PWs) bands (ev): -8.8631 -8.8631 -8.8548 -8.8548 -7.8443 -7.8443 -7.8345 -7.8345 -7.8073 -7.8073 5.0822 5.0822 7.8163 7.8163 7.9541 7.9541 10.0665 10.0665 10.2803 10.2803 11.0104 11.0104 11.1292 11.1292 11.1825 11.1825 11.7021 11.7021 11.8206 11.8206 12.2330 12.2330 12.2724 12.2724 12.3343 12.3343 12.4403 12.4403 12.6241 12.6241 12.7805 12.7805 12.8508 12.8508 14.1026 14.1026 k = 0.4397 0.4397-0.0000 ( 2196 PWs) bands (ev): -8.8632 -8.8632 -8.8549 -8.8549 -7.8441 -7.8441 -7.8346 -7.8346 -7.8077 -7.8077 5.0429 5.0429 7.8256 7.8256 7.9667 7.9667 10.0692 10.0692 10.2958 10.2958 11.0082 11.0082 11.1178 11.1178 11.1894 11.1894 11.6848 11.6848 11.8375 11.8375 12.2260 12.2260 12.2730 12.2730 12.3486 12.3486 12.4561 12.4561 12.6220 12.6220 12.7947 12.7947 12.8579 12.8579 14.1026 14.1026 k = 0.4310 0.4310-0.0000 ( 2200 PWs) bands (ev): -8.8633 -8.8633 -8.8550 -8.8550 -7.8439 -7.8439 -7.8348 -7.8348 -7.8082 -7.8082 4.9984 4.9984 7.8364 7.8364 7.9821 7.9821 10.0724 10.0724 10.3113 10.3113 11.0061 11.0061 11.1052 11.1052 11.1973 11.1973 11.6649 11.6649 11.8570 11.8570 12.2181 12.2181 12.2749 12.2749 12.3640 12.3640 12.4730 12.4730 12.6197 12.6197 12.8102 12.8102 12.8659 12.8659 14.1024 14.1024 k = 0.4224 0.4224-0.0000 ( 2200 PWs) bands (ev): -8.8634 -8.8634 -8.8551 -8.8551 -7.8437 -7.8437 -7.8350 -7.8350 -7.8087 -7.8087 4.9489 4.9489 7.8489 7.8489 8.0005 8.0005 10.0760 10.0760 10.3261 10.3261 11.0043 11.0043 11.0917 11.0917 11.2061 11.2061 11.6429 11.6429 11.8787 11.8787 12.2092 12.2092 12.2782 12.2782 12.3805 12.3805 12.4908 12.4908 12.6170 12.6170 12.8266 12.8266 12.8752 12.8752 14.1022 14.1022 k = 0.4138 0.4138-0.0000 ( 2192 PWs) bands (ev): -8.8635 -8.8635 -8.8553 -8.8553 -7.8434 -7.8434 -7.8352 -7.8352 -7.8093 -7.8093 4.8949 4.8949 7.8634 7.8634 8.0219 8.0219 10.0801 10.0801 10.3395 10.3395 11.0030 11.0030 11.0774 11.0774 11.2163 11.2163 11.6192 11.6192 11.9024 11.9024 12.1993 12.1993 12.2830 12.2830 12.3981 12.3981 12.5087 12.5087 12.6144 12.6144 12.8435 12.8435 12.8858 12.8858 14.1019 14.1019 k = 0.4052 0.4052-0.0000 ( 2192 PWs) bands (ev): -8.8636 -8.8636 -8.8554 -8.8554 -7.8432 -7.8432 -7.8354 -7.8354 -7.8100 -7.8100 4.8366 4.8366 7.8800 7.8800 8.0464 8.0464 10.0846 10.0846 10.3510 10.3510 11.0023 11.0023 11.0625 11.0625 11.2273 11.2273 11.5939 11.5939 11.9279 11.9279 12.1884 12.1884 12.2890 12.2890 12.4166 12.4166 12.5264 12.5264 12.6119 12.6119 12.8599 12.8599 12.8984 12.8984 14.1015 14.1015 k = 0.3966 0.3966-0.0000 ( 2192 PWs) bands (ev): -8.8637 -8.8637 -8.8556 -8.8556 -7.8429 -7.8429 -7.8356 -7.8356 -7.8107 -7.8107 4.7745 4.7745 7.8989 7.8989 8.0737 8.0737 10.0895 10.0895 10.3601 10.3601 11.0022 11.0022 11.0471 11.0471 11.2392 11.2392 11.5674 11.5674 11.9548 11.9548 12.1764 12.1764 12.2963 12.2963 12.4361 12.4361 12.5431 12.5431 12.6100 12.6100 12.8752 12.8752 12.9133 12.9133 14.1009 14.1009 k = 0.3879 0.3879-0.0000 ( 2192 PWs) bands (ev): -8.8639 -8.8639 -8.8557 -8.8557 -7.8426 -7.8426 -7.8358 -7.8358 -7.8114 -7.8114 4.7090 4.7090 7.9203 7.9203 8.1040 8.1040 10.0949 10.0949 10.3664 10.3664 11.0029 11.0029 11.0314 11.0314 11.2522 11.2522 11.5397 11.5397 11.9829 11.9829 12.1634 12.1634 12.3048 12.3048 12.4565 12.4565 12.5575 12.5575 12.6100 12.6100 12.8891 12.8891 12.9309 12.9309 14.1002 14.1002 k = 0.3793 0.3793-0.0000 ( 2194 PWs) bands (ev): -8.8640 -8.8640 -8.8559 -8.8559 -7.8423 -7.8423 -7.8361 -7.8361 -7.8122 -7.8122 4.6405 4.6405 7.9444 7.9444 8.1369 8.1369 10.1008 10.1008 10.3699 10.3699 11.0039 11.0039 11.0160 11.0160 11.2660 11.2660 11.5112 11.5112 12.0118 12.0118 12.1496 12.1496 12.3144 12.3144 12.4777 12.4777 12.5675 12.5675 12.6136 12.6136 12.9016 12.9016 12.9504 12.9504 14.0994 14.0994 k = 0.3707 0.3707-0.0000 ( 2194 PWs) bands (ev): -8.8642 -8.8642 -8.8562 -8.8562 -7.8420 -7.8420 -7.8363 -7.8363 -7.8131 -7.8131 4.5693 4.5693 7.9713 7.9713 8.1725 8.1725 10.1071 10.1071 10.3702 10.3702 10.9974 10.9974 11.0091 11.0091 11.2808 11.2808 11.4821 11.4821 12.0411 12.0411 12.1354 12.1354 12.3252 12.3252 12.4994 12.4994 12.5719 12.5719 12.6222 12.6222 12.9135 12.9135 12.9715 12.9715 14.0984 14.0984 k = 0.3621 0.3621-0.0000 ( 2200 PWs) bands (ev): -8.8644 -8.8644 -8.8564 -8.8564 -7.8417 -7.8417 -7.8366 -7.8366 -7.8140 -7.8140 4.4960 4.4960 8.0009 8.0009 8.2107 8.2107 10.1138 10.1138 10.3676 10.3676 10.9817 10.9817 11.0119 11.0119 11.2964 11.2964 11.4524 11.4524 12.0681 12.0681 12.1230 12.1230 12.3369 12.3369 12.5212 12.5212 12.5724 12.5724 12.6344 12.6344 12.9249 12.9249 12.9936 12.9936 14.0972 14.0972 k = 0.3534 0.3534-0.0000 ( 2204 PWs) bands (ev): -8.8646 -8.8646 -8.8566 -8.8566 -7.8414 -7.8414 -7.8369 -7.8369 -7.8150 -7.8150 4.4207 4.4207 8.0334 8.0334 8.2513 8.2513 10.1210 10.1210 10.3620 10.3620 10.9652 10.9652 11.0167 11.0167 11.3127 11.3127 11.4226 11.4226 12.0809 12.0809 12.1245 12.1245 12.3500 12.3500 12.5408 12.5408 12.5732 12.5732 12.6481 12.6481 12.9362 12.9362 13.0161 13.0161 14.0958 14.0958 k = 0.3448 0.3448-0.0000 ( 2204 PWs) bands (ev): -8.8648 -8.8648 -8.8569 -8.8569 -7.8412 -7.8412 -7.8371 -7.8371 -7.8160 -7.8160 4.3441 4.3441 8.0686 8.0686 8.2942 8.2942 10.1287 10.1287 10.3537 10.3537 10.9486 10.9486 11.0228 11.0228 11.3290 11.3290 11.3933 11.3933 12.0703 12.0703 12.1487 12.1487 12.3640 12.3640 12.5513 12.5513 12.5827 12.5827 12.6622 12.6622 12.9472 12.9472 13.0390 13.0390 14.0942 14.0942 k = 0.3362 0.3362-0.0000 ( 2196 PWs) bands (ev): -8.8651 -8.8651 -8.8572 -8.8572 -7.8410 -7.8410 -7.8373 -7.8373 -7.8170 -7.8170 4.2663 4.2663 8.1066 8.1066 8.3394 8.3394 10.1370 10.1370 10.3430 10.3430 10.9319 10.9319 11.0302 11.0302 11.3400 11.3400 11.3699 11.3699 12.0521 12.0521 12.1798 12.1798 12.3789 12.3789 12.5508 12.5508 12.6032 12.6032 12.6761 12.6761 12.9580 12.9580 13.0621 13.0621 14.0922 14.0922 k = 0.3276 0.3276-0.0000 ( 2196 PWs) bands (ev): -8.8653 -8.8653 -8.8575 -8.8575 -7.8408 -7.8408 -7.8375 -7.8375 -7.8180 -7.8180 4.1877 4.1877 8.1473 8.1473 8.3867 8.3867 10.1456 10.1456 10.3301 10.3301 10.9150 10.9150 11.0389 11.0389 11.3234 11.3234 11.3749 11.3749 12.0316 12.0316 12.2127 12.2127 12.3946 12.3946 12.5467 12.5467 12.6271 12.6271 12.6899 12.6899 12.9686 12.9686 13.0853 13.0853 14.0900 14.0900 k = 0.3190 0.3190-0.0000 ( 2200 PWs) bands (ev): -8.8655 -8.8655 -8.8579 -8.8579 -7.8408 -7.8408 -7.8376 -7.8376 -7.8191 -7.8191 4.1087 4.1087 8.1905 8.1905 8.4361 8.4361 10.1547 10.1547 10.3153 10.3153 10.8978 10.8978 11.0488 11.0488 11.2945 11.2945 11.3930 11.3930 12.0096 12.0096 12.2462 12.2462 12.4112 12.4112 12.5413 12.5413 12.6521 12.6521 12.7035 12.7035 12.9789 12.9789 13.1083 13.1083 14.0875 14.0875 k = 0.3103 0.3103-0.0000 ( 2196 PWs) bands (ev): -8.8658 -8.8658 -8.8582 -8.8582 -7.8408 -7.8408 -7.8376 -7.8376 -7.8203 -7.8203 4.0295 4.0295 8.2362 8.2362 8.4875 8.4875 10.1643 10.1643 10.2991 10.2991 10.8805 10.8805 11.0601 11.0601 11.2641 11.2641 11.4134 11.4134 11.9865 11.9865 12.2801 12.2801 12.4285 12.4285 12.5356 12.5356 12.6771 12.6771 12.7175 12.7175 12.9889 12.9889 13.1313 13.1313 14.0845 14.0845 k = 0.3017 0.3017-0.0000 ( 2196 PWs) bands (ev): -8.8661 -8.8661 -8.8586 -8.8586 -7.8410 -7.8410 -7.8376 -7.8376 -7.8214 -7.8214 3.9504 3.9504 8.2841 8.2841 8.5407 8.5407 10.1740 10.1740 10.2818 10.2818 10.8630 10.8630 11.0726 11.0726 11.2335 11.2335 11.4350 11.4350 11.9626 11.9626 12.3142 12.3142 12.4464 12.4464 12.5298 12.5298 12.7010 12.7010 12.7328 12.7328 12.9983 12.9983 13.1540 13.1540 14.0812 14.0812 k = 0.2931 0.2931-0.0000 ( 2213 PWs) bands (ev): -8.8664 -8.8664 -8.8590 -8.8590 -7.8412 -7.8412 -7.8374 -7.8374 -7.8226 -7.8226 3.8716 3.8716 8.3341 8.3341 8.5956 8.5956 10.1838 10.1838 10.2641 10.2641 10.8453 10.8453 11.0863 11.0863 11.2029 11.2029 11.4575 11.4575 11.9379 11.9379 12.3480 12.3480 12.4643 12.4643 12.5242 12.5242 12.7214 12.7214 12.7514 12.7514 13.0072 13.0072 13.1764 13.1764 14.0773 14.0773 k = 0.2845 0.2845-0.0000 ( 2209 PWs) bands (ev): -8.8666 -8.8666 -8.8595 -8.8595 -7.8416 -7.8416 -7.8372 -7.8372 -7.8238 -7.8238 3.7934 3.7934 8.3861 8.3861 8.6521 8.6521 10.1929 10.1929 10.2470 10.2470 10.8276 10.8276 11.1013 11.1013 11.1726 11.1726 11.4809 11.4809 11.9132 11.9132 12.3819 12.3819 12.4812 12.4812 12.5203 12.5203 12.7376 12.7376 12.7745 12.7745 13.0156 13.0156 13.1985 13.1985 14.0730 14.0730 k = 0.2759 0.2759-0.0000 ( 2209 PWs) bands (ev): -8.8669 -8.8669 -8.8599 -8.8599 -7.8419 -7.8419 -7.8370 -7.8370 -7.8250 -7.8250 3.7159 3.7159 8.4397 8.4397 8.7101 8.7101 10.1980 10.1980 10.2342 10.2342 10.8097 10.8097 11.1170 11.1170 11.1432 11.1432 11.5051 11.5051 11.8882 11.8882 12.4156 12.4156 12.4925 12.4925 12.5226 12.5226 12.7507 12.7507 12.8004 12.8004 13.0233 13.0233 13.2204 13.2204 14.0682 14.0682 k = 0.2672 0.2672-0.0000 ( 2209 PWs) bands (ev): -8.8672 -8.8672 -8.8604 -8.8604 -7.8423 -7.8423 -7.8368 -7.8368 -7.8262 -7.8262 3.6395 3.6395 8.4947 8.4947 8.7695 8.7695 10.1918 10.1918 10.2332 10.2332 10.7919 10.7919 11.1110 11.1110 11.1373 11.1373 11.5301 11.5301 11.8633 11.8633 12.4488 12.4488 12.4932 12.4932 12.5361 12.5361 12.7623 12.7623 12.8276 12.8276 13.0304 13.0304 13.2418 13.2418 14.0627 14.0627 k = 0.2586 0.2586-0.0000 ( 2209 PWs) bands (ev): -8.8675 -8.8675 -8.8609 -8.8609 -7.8428 -7.8428 -7.8366 -7.8366 -7.8275 -7.8275 3.5642 3.5642 8.5508 8.5508 8.8301 8.8301 10.1770 10.1770 10.2417 10.2417 10.7740 10.7740 11.0824 11.0824 11.1556 11.1556 11.5558 11.5558 11.8386 11.8386 12.4815 12.4815 12.4887 12.4887 12.5551 12.5551 12.7730 12.7730 12.8555 12.8555 13.0367 13.0367 13.2627 13.2627 14.0566 14.0566 k = 0.2500 0.2500-0.0000 ( 2213 PWs) bands (ev): -8.8678 -8.8678 -8.8614 -8.8614 -7.8432 -7.8432 -7.8364 -7.8364 -7.8287 -7.8287 3.4902 3.4902 8.6076 8.6076 8.8918 8.8918 10.1601 10.1601 10.2535 10.2535 10.7562 10.7562 11.0537 11.0537 11.1757 11.1757 11.5821 11.5821 11.8146 11.8146 12.4827 12.4827 12.5136 12.5136 12.5761 12.5761 12.7830 12.7830 12.8836 12.8836 13.0423 13.0423 13.2832 13.2832 14.0498 14.0498 k = 0.2414 0.2414-0.0000 ( 2205 PWs) bands (ev): -8.8682 -8.8682 -8.8619 -8.8619 -7.8437 -7.8437 -7.8362 -7.8362 -7.8299 -7.8299 3.4177 3.4177 8.6649 8.6649 8.9544 8.9544 10.1436 10.1436 10.2665 10.2665 10.7388 10.7388 11.0255 11.0255 11.1973 11.1973 11.6092 11.6092 11.7914 11.7914 12.4763 12.4763 12.5451 12.5451 12.5980 12.5980 12.7926 12.7926 12.9118 12.9118 13.0471 13.0471 13.3031 13.3031 14.0423 14.0423 k = 0.2328 0.2328-0.0000 ( 2205 PWs) bands (ev): -8.8685 -8.8685 -8.8625 -8.8625 -7.8442 -7.8442 -7.8361 -7.8361 -7.8311 -7.8311 3.3468 3.3468 8.7220 8.7220 9.0178 9.0178 10.1280 10.1280 10.2804 10.2804 10.7214 10.7214 10.9978 10.9978 11.2201 11.2201 11.6368 11.6368 11.7693 11.7693 12.4697 12.4697 12.5757 12.5757 12.6203 12.6203 12.8016 12.8016 12.9399 12.9399 13.0511 13.0511 13.3226 13.3226 14.0339 14.0339 k = 0.2241 0.2241-0.0000 ( 2201 PWs) bands (ev): -8.8688 -8.8688 -8.8630 -8.8630 -7.8447 -7.8447 -7.8360 -7.8360 -7.8322 -7.8322 3.2777 3.2777 8.7786 8.7786 9.0818 9.0818 10.1141 10.1141 10.2948 10.2948 10.7044 10.7044 10.9707 10.9707 11.2442 11.2442 11.6648 11.6648 11.7490 11.7490 12.4630 12.4630 12.6053 12.6053 12.6430 12.6430 12.8101 12.8101 12.9676 12.9676 13.0545 13.0545 13.3416 13.3416 14.0247 14.0247 k = 0.2155 0.2155-0.0000 ( 2201 PWs) bands (ev): -8.8691 -8.8691 -8.8636 -8.8636 -7.8452 -7.8452 -7.8361 -7.8361 -7.8332 -7.8332 3.2105 3.2105 8.8341 8.8341 9.1462 9.1462 10.1022 10.1022 10.3097 10.3097 10.6879 10.6879 10.9442 10.9442 11.2694 11.2694 11.6921 11.6921 11.7317 11.7317 12.4563 12.4563 12.6339 12.6339 12.6658 12.6658 12.8182 12.8182 12.9948 12.9948 13.0573 13.0573 13.3599 13.3599 14.0144 14.0144 k = 0.2069 0.2069-0.0000 ( 2201 PWs) bands (ev): -8.8694 -8.8694 -8.8642 -8.8642 -7.8457 -7.8457 -7.8365 -7.8365 -7.8339 -7.8339 3.1452 3.1452 8.8878 8.8878 9.2109 9.2109 10.0928 10.0928 10.3249 10.3249 10.6719 10.6719 10.9185 10.9185 11.2959 11.2959 11.7045 11.7045 11.7318 11.7318 12.4498 12.4498 12.6612 12.6612 12.6887 12.6887 12.8258 12.8258 13.0203 13.0203 13.0604 13.0604 13.3776 13.3776 14.0033 14.0033 k = 0.1983 0.1983-0.0000 ( 2205 PWs) bands (ev): -8.8697 -8.8697 -8.8648 -8.8648 -7.8462 -7.8462 -7.8372 -7.8372 -7.8342 -7.8342 3.0820 3.0820 8.9391 8.9391 9.2756 9.2756 10.0863 10.0863 10.3404 10.3404 10.6564 10.6564 10.8935 10.8935 11.3233 11.3233 11.6936 11.6936 11.7583 11.7583 12.4433 12.4433 12.6872 12.6872 12.7114 12.7114 12.8328 12.8328 13.0406 13.0406 13.0673 13.0673 13.3948 13.3948 13.9910 13.9910 k = 0.1897 0.1897-0.0000 ( 2201 PWs) bands (ev): -8.8701 -8.8701 -8.8654 -8.8654 -7.8467 -7.8467 -7.8382 -7.8382 -7.8343 -7.8343 3.0210 3.0210 8.9874 8.9874 9.3404 9.3404 10.0831 10.0831 10.3561 10.3561 10.6417 10.6417 10.8694 10.8694 11.3519 11.3519 11.6822 11.6822 11.7887 11.7887 12.4369 12.4369 12.7117 12.7117 12.7341 12.7341 12.8392 12.8392 13.0487 13.0487 13.0850 13.0850 13.4113 13.4113 13.9777 13.9777 k = 0.1810 0.1810-0.0000 ( 2197 PWs) bands (ev): -8.8704 -8.8704 -8.8660 -8.8660 -7.8472 -7.8472 -7.8393 -7.8393 -7.8343 -7.8343 2.9622 2.9622 9.0320 9.0320 9.4048 9.4048 10.0834 10.0834 10.3719 10.3719 10.6279 10.6279 10.8460 10.8460 11.3815 11.3815 11.6735 11.6735 11.8204 11.8204 12.4308 12.4308 12.7347 12.7347 12.7564 12.7564 12.8451 12.8451 13.0495 13.0495 13.1085 13.1085 13.4272 13.4272 13.9632 13.9632 k = 0.1724 0.1724-0.0000 ( 2193 PWs) bands (ev): -8.8707 -8.8707 -8.8666 -8.8666 -7.8477 -7.8477 -7.8404 -7.8404 -7.8343 -7.8343 2.9057 2.9057 9.0723 9.0723 9.4687 9.4687 10.0873 10.0873 10.3877 10.3877 10.6151 10.6151 10.8236 10.8236 11.4117 11.4117 11.6683 11.6683 11.8529 11.8529 12.4248 12.4248 12.7558 12.7558 12.7779 12.7779 12.8502 12.8502 13.0478 13.0478 13.1329 13.1329 13.4424 13.4424 13.9476 13.9476 k = 0.1638 0.1638-0.0000 ( 2197 PWs) bands (ev): -8.8710 -8.8710 -8.8672 -8.8672 -7.8482 -7.8482 -7.8415 -7.8415 -7.8342 -7.8342 2.8516 2.8516 9.1079 9.1079 9.5320 9.5320 10.0947 10.0947 10.4035 10.4035 10.6034 10.6034 10.8019 10.8019 11.4425 11.4425 11.6673 11.6673 11.8861 11.8861 12.4189 12.4189 12.7749 12.7749 12.7985 12.7985 12.8546 12.8546 13.0447 13.0447 13.1569 13.1569 13.4570 13.4570 13.9308 13.9308 k = 0.1552 0.1552-0.0000 ( 2195 PWs) bands (ev): -8.8712 -8.8712 -8.8678 -8.8678 -7.8486 -7.8486 -7.8426 -7.8426 -7.8341 -7.8341 2.8000 2.8000 9.1385 9.1385 9.5943 9.5943 10.1055 10.1055 10.4193 10.4193 10.5930 10.5930 10.7813 10.7813 11.4736 11.4736 11.6712 11.6712 11.9200 11.9200 12.4133 12.4133 12.7918 12.7918 12.8176 12.8176 12.8588 12.8588 13.0407 13.0407 13.1805 13.1805 13.4708 13.4708 13.9127 13.9127 k = 0.1466 0.1466-0.0000 ( 2191 PWs) bands (ev): -8.8715 -8.8715 -8.8684 -8.8684 -7.8491 -7.8491 -7.8436 -7.8436 -7.8340 -7.8340 2.7509 2.7509 9.1641 9.1641 9.6555 9.6555 10.1190 10.1190 10.4348 10.4348 10.5840 10.5840 10.7616 10.7616 11.5047 11.5047 11.6806 11.6806 11.9547 11.9547 12.4080 12.4080 12.8063 12.8063 12.8334 12.8334 12.8641 12.8641 13.0361 13.0361 13.2033 13.2033 13.4840 13.4840 13.8936 13.8936 k = 0.1379 0.1379-0.0000 ( 2189 PWs) bands (ev): -8.8718 -8.8718 -8.8689 -8.8689 -7.8496 -7.8496 -7.8446 -7.8446 -7.8340 -7.8340 2.7043 2.7043 9.1848 9.1848 9.7152 9.7152 10.1345 10.1345 10.4501 10.4501 10.5766 10.5766 10.7429 10.7429 11.5357 11.5357 11.6962 11.6962 11.9898 11.9898 12.4029 12.4029 12.8176 12.8176 12.8427 12.8427 12.8734 12.8734 13.0310 13.0310 13.2251 13.2251 13.4965 13.4965 13.8732 13.8732 k = 0.1293 0.1293-0.0000 ( 2189 PWs) bands (ev): -8.8721 -8.8721 -8.8695 -8.8695 -7.8500 -7.8500 -7.8456 -7.8456 -7.8339 -7.8339 2.6604 2.6604 9.2010 9.2010 9.7733 9.7733 10.1513 10.1513 10.4649 10.4649 10.5709 10.5709 10.7252 10.7252 11.5665 11.5665 11.7181 11.7181 12.0255 12.0255 12.3980 12.3980 12.8249 12.8249 12.8454 12.8454 12.8872 12.8872 13.0256 13.0256 13.2460 13.2460 13.5081 13.5081 13.8517 13.8517 k = 0.1207 0.1207-0.0000 ( 2189 PWs) bands (ev): -8.8723 -8.8723 -8.8700 -8.8700 -7.8504 -7.8504 -7.8466 -7.8466 -7.8339 -7.8339 2.6191 2.6191 9.2132 9.2132 9.8293 9.8293 10.1683 10.1683 10.4793 10.4793 10.5670 10.5670 10.7085 10.7085 11.5976 11.5976 11.7461 11.7461 12.0617 12.0617 12.3934 12.3934 12.8260 12.8260 12.8457 12.8457 12.9025 12.9025 13.0202 13.0202 13.2658 13.2658 13.5191 13.5191 13.8292 13.8292 k = 0.1121 0.1121-0.0000 ( 2189 PWs) bands (ev): -8.8725 -8.8725 -8.8705 -8.8705 -7.8508 -7.8508 -7.8475 -7.8475 -7.8338 -7.8338 2.5805 2.5805 9.2219 9.2219 9.8830 9.8830 10.1846 10.1846 10.4932 10.4932 10.5648 10.5648 10.6929 10.6929 11.6297 11.6297 11.7797 11.7797 12.0982 12.0982 12.3891 12.3891 12.8196 12.8196 12.8458 12.8458 12.9174 12.9174 13.0149 13.0149 13.2846 13.2846 13.5292 13.5292 13.8058 13.8058 k = 0.1034 0.1034-0.0000 ( 2189 PWs) bands (ev): -8.8728 -8.8728 -8.8710 -8.8710 -7.8512 -7.8512 -7.8483 -7.8483 -7.8338 -7.8338 2.5446 2.5446 9.2278 9.2278 9.9342 9.9342 10.1996 10.1996 10.5065 10.5065 10.5643 10.5643 10.6784 10.6784 11.6637 11.6637 11.8180 11.8180 12.1349 12.1349 12.3851 12.3851 12.8073 12.8073 12.8443 12.8443 12.9315 12.9315 13.0099 13.0099 13.3021 13.3021 13.5386 13.5386 13.7817 13.7817 k = 0.0948 0.0948-0.0000 ( 2189 PWs) bands (ev): -8.8730 -8.8730 -8.8715 -8.8715 -7.8515 -7.8515 -7.8491 -7.8491 -7.8338 -7.8338 2.5115 2.5115 9.2313 9.2313 9.9824 9.9824 10.2128 10.2128 10.5192 10.5192 10.5653 10.5653 10.6649 10.6649 11.7001 11.7001 11.8603 11.8603 12.1714 12.1714 12.3815 12.3815 12.7900 12.7900 12.8396 12.8396 12.9442 12.9442 13.0053 13.0053 13.3183 13.3183 13.5471 13.5471 13.7573 13.7573 k = 0.0862 0.0862-0.0000 ( 2181 PWs) bands (ev): -8.8732 -8.8732 -8.8719 -8.8719 -7.8519 -7.8519 -7.8499 -7.8499 -7.8337 -7.8337 2.4812 2.4812 9.2330 9.2330 10.0275 10.0275 10.2238 10.2238 10.5311 10.5311 10.5675 10.5675 10.6526 10.6526 11.7394 11.7394 11.9060 11.9060 12.2075 12.2075 12.3782 12.3782 12.7685 12.7685 12.8310 12.8310 12.9555 12.9555 13.0012 13.0012 13.3334 13.3334 13.5547 13.5547 13.7327 13.7327 k = 0.0776 0.0776-0.0000 ( 2181 PWs) bands (ev): -8.8733 -8.8733 -8.8723 -8.8723 -7.8522 -7.8522 -7.8505 -7.8505 -7.8337 -7.8337 2.4537 2.4537 9.2333 9.2333 10.0691 10.0691 10.2327 10.2327 10.5422 10.5422 10.5706 10.5706 10.6414 10.6414 11.7816 11.7816 11.9544 11.9544 12.2427 12.2427 12.3752 12.3752 12.7431 12.7431 12.8176 12.8176 12.9650 12.9650 12.9975 12.9975 13.3470 13.3470 13.5613 13.5613 13.7085 13.7085 k = 0.0690 0.0690-0.0000 ( 2179 PWs) bands (ev): -8.8735 -8.8735 -8.8727 -8.8727 -7.8525 -7.8525 -7.8511 -7.8511 -7.8337 -7.8337 2.4290 2.4290 9.2327 9.2327 10.1070 10.1070 10.2396 10.2396 10.5525 10.5525 10.5742 10.5742 10.6314 10.6314 11.8265 11.8265 12.0050 12.0050 12.2761 12.2761 12.3728 12.3728 12.7142 12.7142 12.7992 12.7992 12.9728 12.9728 12.9944 12.9944 13.3592 13.3592 13.5669 13.5669 13.6853 13.6853 k = 0.0603 0.0603-0.0000 ( 2183 PWs) bands (ev): -8.8736 -8.8736 -8.8730 -8.8730 -7.8527 -7.8527 -7.8517 -7.8517 -7.8337 -7.8337 2.4072 2.4072 9.2315 9.2315 10.1409 10.1409 10.2447 10.2447 10.5617 10.5617 10.5779 10.5779 10.6224 10.6224 11.8736 11.8736 12.0573 12.0573 12.3070 12.3070 12.3709 12.3709 12.6827 12.6827 12.7756 12.7756 12.9787 12.9787 12.9918 12.9918 13.3699 13.3699 13.5711 13.5711 13.6638 13.6638 k = 0.0517 0.0517-0.0000 ( 2179 PWs) bands (ev): -8.8738 -8.8738 -8.8733 -8.8733 -7.8529 -7.8529 -7.8522 -7.8522 -7.8337 -7.8337 2.3883 2.3883 9.2300 9.2300 10.1708 10.1708 10.2485 10.2485 10.5699 10.5699 10.5815 10.5815 10.6147 10.6147 11.9225 11.9225 12.1107 12.1107 12.3337 12.3337 12.3698 12.3698 12.6497 12.6497 12.7469 12.7469 12.9830 12.9830 12.9899 12.9899 13.3793 13.3793 13.5735 13.5735 13.6454 13.6454 k = 0.0431 0.0431-0.0000 ( 2169 PWs) bands (ev): -8.8739 -8.8739 -8.8735 -8.8735 -7.8531 -7.8531 -7.8526 -7.8526 -7.8337 -7.8337 2.3723 2.3723 9.2284 9.2284 10.1964 10.1964 10.2511 10.2511 10.5770 10.5770 10.5849 10.5849 10.6082 10.6082 11.9724 11.9724 12.1646 12.1646 12.3531 12.3531 12.3708 12.3708 12.6171 12.6171 12.7136 12.7136 12.9855 12.9855 12.9885 12.9885 13.3871 13.3871 13.5737 13.5737 13.6311 13.6311 k = 0.0345 0.0345-0.0000 ( 2165 PWs) bands (ev): -8.8740 -8.8740 -8.8737 -8.8737 -7.8532 -7.8532 -7.8529 -7.8529 -7.8336 -7.8336 2.3591 2.3591 9.2268 9.2268 10.2174 10.2174 10.2530 10.2530 10.5828 10.5828 10.5878 10.5878 10.6029 10.6029 12.0222 12.0222 12.2177 12.2177 12.3618 12.3618 12.3750 12.3750 12.5880 12.5880 12.6764 12.6764 12.9866 12.9866 12.9877 12.9877 13.3935 13.3935 13.5713 13.5713 13.6216 13.6216 k = 0.0259 0.0259-0.0000 ( 2165 PWs) bands (ev): -8.8740 -8.8740 -8.8739 -8.8739 -7.8534 -7.8534 -7.8532 -7.8532 -7.8336 -7.8336 2.3489 2.3489 9.2254 9.2254 10.2339 10.2339 10.2541 10.2541 10.5874 10.5874 10.5900 10.5900 10.5987 10.5987 12.0703 12.0703 12.2679 12.2679 12.3655 12.3655 12.3743 12.3743 12.5660 12.5660 12.6368 12.6368 12.9866 12.9866 12.9872 12.9872 13.3984 13.3984 13.5672 13.5672 13.6165 13.6165 k = 0.0172 0.0172-0.0000 ( 2171 PWs) bands (ev): -8.8741 -8.8741 -8.8740 -8.8740 -7.8535 -7.8535 -7.8534 -7.8534 -7.8336 -7.8336 2.3416 2.3416 9.2243 9.2243 10.2457 10.2457 10.2548 10.2548 10.5905 10.5905 10.5918 10.5918 10.5957 10.5957 12.1141 12.1141 12.3097 12.3097 12.3624 12.3624 12.3734 12.3734 12.5533 12.5533 12.5969 12.5969 12.9863 12.9863 12.9867 12.9867 13.4018 13.4018 13.5628 13.5628 13.6140 13.6140 k = 0.0086 0.0086-0.0000 ( 2189 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3372 2.3372 9.2235 9.2235 10.2528 10.2528 10.2550 10.2550 10.5921 10.5921 10.5930 10.5930 10.5940 10.5940 12.1478 12.1478 12.3326 12.3326 12.3463 12.3463 12.3900 12.3900 12.5480 12.5480 12.5624 12.5624 12.9860 12.9860 12.9862 12.9862 13.4037 13.4037 13.5596 13.5596 13.6128 13.6131 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3357 2.3357 9.2232 9.2232 10.2551 10.2551 10.2551 10.2551 10.5923 10.5923 10.5936 10.5936 10.5936 10.5936 12.1615 12.1615 12.3381 12.3381 12.3381 12.3381 12.4017 12.4017 12.5468 12.5468 12.5468 12.5468 12.9859 12.9859 12.9859 12.9859 13.4041 13.4041 13.5584 13.5584 13.6125 13.6125 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3357 2.3357 9.2232 9.2232 10.2551 10.2551 10.2551 10.2551 10.5923 10.5923 10.5936 10.5936 10.5936 10.5936 12.1615 12.1615 12.3381 12.3381 12.3381 12.3381 12.4017 12.4017 12.5468 12.5468 12.5468 12.5468 12.9859 12.9859 12.9859 12.9859 13.4041 13.4041 13.5584 13.5584 13.6125 13.6125 k = 0.0070 0.0070 0.0070 ( 2193 PWs) bands (ev): -8.8741 -8.8741 -8.8741 -8.8741 -7.8535 -7.8535 -7.8535 -7.8535 -7.8336 -7.8336 2.3372 2.3372 9.2235 9.2235 10.2537 10.2537 10.2540 10.2540 10.5919 10.5919 10.5933 10.5933 10.5939 10.5939 12.1478 12.1478 12.3336 12.3336 12.3450 12.3450 12.3903 12.3903 12.5485 12.5485 12.5619 12.5619 12.9860 12.9860 12.9860 12.9860 13.4035 13.4035 13.5596 13.5596 13.6128 13.6130 k = 0.0141 0.0141 0.0141 ( 2175 PWs) bands (ev): -8.8741 -8.8741 -8.8740 -8.8740 -7.8534 -7.8534 -7.8534 -7.8534 -7.8336 -7.8336 2.3416 2.3416 9.2243 9.2243 10.2497 10.2497 10.2508 10.2508 10.5893 10.5893 10.5938 10.5938 10.5949 10.5949 12.1136 12.1136 12.3209 12.3209 12.3367 12.3367 12.3890 12.3890 12.5529 12.5529 12.5963 12.5963 12.9864 12.9864 12.9866 12.9866 13.4019 13.4019 13.5627 13.5627 13.6135 13.6136 k = 0.0211 0.0211 0.0211 ( 2175 PWs) bands (ev): -8.8740 -8.8740 -8.8739 -8.8739 -7.8533 -7.8533 -7.8532 -7.8532 -7.8336 -7.8336 2.3489 2.3489 9.2254 9.2254 10.2427 10.2427 10.2452 10.2452 10.5844 10.5844 10.5950 10.5950 10.5966 10.5966 12.0686 12.0686 12.2992 12.2992 12.3014 12.3014 12.4149 12.4149 12.5589 12.5589 12.6375 12.6375 12.9868 12.9868 12.9871 12.9871 13.3984 13.3984 13.5668 13.5668 13.6156 13.6156 k = 0.0282 0.0282 0.0282 ( 2163 PWs) bands (ev): -8.8739 -8.8739 -8.8738 -8.8738 -7.8532 -7.8532 -7.8530 -7.8530 -7.8336 -7.8336 2.3591 2.3591 9.2270 9.2270 10.2330 10.2330 10.2374 10.2374 10.5775 10.5775 10.5969 10.5969 10.5990 10.5990 12.0179 12.0179 12.2562 12.2562 12.2770 12.2770 12.4446 12.4446 12.5650 12.5650 12.6805 12.6805 12.9870 12.9870 12.9873 12.9873 13.3935 13.3935 13.5707 13.5707 13.6207 13.6207 k = 0.0352 0.0352 0.0352 ( 2166 PWs) bands (ev): -8.8738 -8.8738 -8.8736 -8.8736 -7.8529 -7.8529 -7.8527 -7.8527 -7.8337 -7.8337 2.3723 2.3723 9.2288 9.2288 10.2203 10.2203 10.2272 10.2272 10.5685 10.5685 10.5995 10.5995 10.6021 10.6021 11.9640 11.9640 12.2125 12.2125 12.2493 12.2493 12.4728 12.4728 12.5705 12.5705 12.7234 12.7234 12.9869 12.9869 12.9870 12.9870 13.3869 13.3869 13.5726 13.5726 13.6302 13.6302 k = 0.0423 0.0423 0.0423 ( 2172 PWs) bands (ev): -8.8737 -8.8737 -8.8734 -8.8734 -7.8527 -7.8527 -7.8524 -7.8524 -7.8337 -7.8337 2.3884 2.3884 9.2309 9.2309 10.2048 10.2048 10.2147 10.2147 10.5573 10.5573 10.6028 10.6028 10.6060 10.6060 11.9084 11.9084 12.1698 12.1698 12.2193 12.2193 12.4980 12.4980 12.5747 12.5747 12.7652 12.7652 12.9856 12.9856 12.9864 12.9864 13.3784 13.3784 13.5721 13.5721 13.6449 13.6449 k = 0.0493 0.0493 0.0493 ( 2181 PWs) bands (ev): -8.8735 -8.8735 -8.8731 -8.8731 -7.8524 -7.8524 -7.8520 -7.8520 -7.8337 -7.8337 2.4073 2.4073 9.2331 9.2331 10.1863 10.1863 10.1998 10.1998 10.5439 10.5439 10.6070 10.6070 10.6108 10.6108 11.8520 11.8520 12.1288 12.1288 12.1882 12.1882 12.5197 12.5197 12.5774 12.5774 12.8055 12.8055 12.9831 12.9831 12.9852 12.9852 13.3681 13.3681 13.5697 13.5697 13.6642 13.6642 k = 0.0563 0.0563 0.0563 ( 2187 PWs) bands (ev): -8.8733 -8.8733 -8.8728 -8.8728 -7.8521 -7.8521 -7.8515 -7.8515 -7.8337 -7.8337 2.4291 2.4291 9.2352 9.2352 10.1650 10.1650 10.1827 10.1827 10.5283 10.5283 10.6120 10.6120 10.6164 10.6164 11.7958 11.7958 12.0900 12.0900 12.1566 12.1566 12.5378 12.5378 12.5785 12.5785 12.8437 12.8437 12.9794 12.9794 12.9834 12.9834 13.3560 13.3560 13.5661 13.5661 13.6874 13.6874 k = 0.0634 0.0634 0.0634 ( 2181 PWs) bands (ev): -8.8731 -8.8731 -8.8725 -8.8725 -7.8517 -7.8517 -7.8510 -7.8510 -7.8337 -7.8337 2.4538 2.4538 9.2374 9.2374 10.1410 10.1410 10.1634 10.1634 10.5103 10.5103 10.6181 10.6181 10.6230 10.6230 11.7404 11.7404 12.0535 12.0535 12.1250 12.1250 12.5524 12.5524 12.5783 12.5783 12.8792 12.8792 12.9744 12.9744 12.9812 12.9812 13.3418 13.3418 13.5621 13.5621 13.7137 13.7137 k = 0.0704 0.0704 0.0704 ( 2178 PWs) bands (ev): -8.8729 -8.8729 -8.8721 -8.8721 -7.8513 -7.8513 -7.8504 -7.8504 -7.8337 -7.8337 2.4814 2.4814 9.2394 9.2394 10.1145 10.1145 10.1419 10.1419 10.4901 10.4901 10.6250 10.6250 10.6304 10.6304 11.6867 11.6867 12.0195 12.0195 12.0939 12.0939 12.5636 12.5636 12.5767 12.5767 12.9103 12.9103 12.9681 12.9681 12.9802 12.9802 13.3255 13.3255 13.5577 13.5577 13.7424 13.7424 k = 0.0775 0.0775 0.0775 ( 2187 PWs) bands (ev): -8.8727 -8.8727 -8.8718 -8.8718 -7.8508 -7.8508 -7.8498 -7.8498 -7.8338 -7.8338 2.5118 2.5118 9.2407 9.2407 10.0855 10.0855 10.1183 10.1183 10.4676 10.4676 10.6329 10.6329 10.6388 10.6388 11.6349 11.6349 11.9878 11.9878 12.0636 12.0636 12.5717 12.5717 12.5737 12.5737 12.9321 12.9321 12.9604 12.9604 12.9848 12.9848 13.3072 13.3072 13.5532 13.5532 13.7729 13.7729 k = 0.0845 0.0845 0.0845 ( 2187 PWs) bands (ev): -8.8724 -8.8724 -8.8713 -8.8713 -7.8503 -7.8503 -7.8492 -7.8492 -7.8338 -7.8338 2.5449 2.5449 9.2414 9.2414 10.0543 10.0543 10.0928 10.0928 10.4432 10.4432 10.6417 10.6417 10.6480 10.6480 11.5859 11.5859 11.9586 11.9586 12.0342 12.0342 12.5697 12.5697 12.5772 12.5772 12.9387 12.9387 12.9515 12.9515 13.0013 13.0013 13.2867 13.2867 13.5488 13.5488 13.8048 13.8048 k = 0.0915 0.0915 0.0915 ( 2187 PWs) bands (ev): -8.8721 -8.8721 -8.8709 -8.8709 -7.8498 -7.8498 -7.8485 -7.8485 -7.8339 -7.8339 2.5809 2.5809 9.2411 9.2411 10.0211 10.0211 10.0654 10.0654 10.4171 10.4171 10.6515 10.6515 10.6581 10.6581 11.5398 11.5398 11.9317 11.9317 12.0060 12.0060 12.5648 12.5648 12.5803 12.5803 12.9348 12.9348 12.9416 12.9416 13.0247 13.0247 13.2643 13.2643 13.5445 13.5445 13.8375 13.8375 k = 0.0986 0.0986 0.0986 ( 2187 PWs) bands (ev): -8.8719 -8.8719 -8.8704 -8.8704 -7.8492 -7.8492 -7.8477 -7.8477 -7.8339 -7.8339 2.6196 2.6196 9.2394 9.2394 9.9862 9.9862 10.0364 10.0364 10.3896 10.3896 10.6621 10.6621 10.6690 10.6690 11.4970 11.4970 11.9070 11.9070 11.9790 11.9790 12.5590 12.5590 12.5813 12.5813 12.9265 12.9265 12.9307 12.9307 13.0493 13.0493 13.2399 13.2399 13.5404 13.5404 13.8705 13.8705 k = 0.1056 0.1056 0.1056 ( 2190 PWs) bands (ev): -8.8716 -8.8716 -8.8699 -8.8699 -7.8486 -7.8486 -7.8469 -7.8469 -7.8340 -7.8340 2.6610 2.6610 9.2359 9.2359 9.9499 9.9499 10.0060 10.0060 10.3612 10.3612 10.6736 10.6736 10.6808 10.6808 11.4575 11.4575 11.8842 11.8842 11.9531 11.9531 12.5526 12.5526 12.5805 12.5805 12.9160 12.9160 12.9190 12.9190 13.0728 13.0728 13.2136 13.2136 13.5366 13.5366 13.9033 13.9033 k = 0.1127 0.1127 0.1127 ( 2190 PWs) bands (ev): -8.8712 -8.8712 -8.8694 -8.8694 -7.8480 -7.8480 -7.8461 -7.8461 -7.8341 -7.8341 2.7050 2.7050 9.2302 9.2302 9.9125 9.9125 9.9743 9.9743 10.3327 10.3327 10.6858 10.6858 10.6933 10.6933 11.4217 11.4217 11.8632 11.8632 11.9284 11.9284 12.5457 12.5457 12.5784 12.5784 12.9040 12.9040 12.9066 12.9066 13.0948 13.0948 13.1857 13.1857 13.5329 13.5329 13.9355 13.9355 k = 0.1197 0.1197 0.1197 ( 2202 PWs) bands (ev): -8.8709 -8.8709 -8.8689 -8.8689 -7.8474 -7.8474 -7.8452 -7.8452 -7.8341 -7.8341 2.7517 2.7517 9.2219 9.2219 9.8742 9.8742 9.9416 9.9416 10.3047 10.3047 10.6987 10.6987 10.7064 10.7064 11.3892 11.3892 11.8438 11.8438 11.9047 11.9047 12.5384 12.5384 12.5749 12.5749 12.8909 12.8909 12.8937 12.8937 13.1150 13.1150 13.1561 13.1561 13.5293 13.5293 13.9666 13.9666 k = 0.1268 0.1268 0.1268 ( 2202 PWs) bands (ev): -8.8706 -8.8706 -8.8684 -8.8684 -7.8467 -7.8467 -7.8443 -7.8443 -7.8342 -7.8342 2.8010 2.8010 9.2104 9.2104 9.8355 9.8355 9.9081 9.9081 10.2780 10.2780 10.7124 10.7124 10.7202 10.7202 11.3600 11.3600 11.8257 11.8257 11.8820 11.8820 12.5309 12.5309 12.5705 12.5705 12.8771 12.8771 12.8804 12.8804 13.1246 13.1246 13.1340 13.1340 13.5260 13.5260 13.9966 13.9966 k = 0.1338 0.1338 0.1338 ( 2190 PWs) bands (ev): -8.8702 -8.8702 -8.8679 -8.8679 -7.8461 -7.8461 -7.8434 -7.8434 -7.8344 -7.8344 2.8529 2.8529 9.1955 9.1955 9.7965 9.7965 9.8740 9.8740 10.2535 10.2535 10.7268 10.7268 10.7348 10.7348 11.3340 11.3340 11.8088 11.8088 11.8602 11.8602 12.5234 12.5234 12.5655 12.5655 12.8628 12.8628 12.8668 12.8668 13.0927 13.0927 13.1505 13.1505 13.5229 13.5229 14.0250 14.0250 k = 0.1408 0.1408 0.1408 ( 2196 PWs) bands (ev): -8.8699 -8.8699 -8.8673 -8.8673 -7.8454 -7.8454 -7.8424 -7.8424 -7.8345 -7.8345 2.9072 2.9072 9.1767 9.1767 9.7575 9.7575 9.8395 9.8395 10.2318 10.2318 10.7415 10.7415 10.7497 10.7497 11.3109 11.3109 11.7927 11.7927 11.8390 11.8390 12.5159 12.5159 12.5598 12.5598 12.8480 12.8480 12.8530 12.8530 13.0592 13.0592 13.1656 13.1656 13.5199 13.5199 14.0515 14.0515 k = 0.1479 0.1479 0.1479 ( 2202 PWs) bands (ev): -8.8695 -8.8695 -8.8668 -8.8668 -7.8447 -7.8447 -7.8415 -7.8415 -7.8346 -7.8346 2.9640 2.9640 9.1538 9.1538 9.7187 9.7187 9.8048 9.8048 10.2137 10.2137 10.7568 10.7568 10.7651 10.7651 11.2904 11.2904 11.7772 11.7772 11.8183 11.8183 12.5086 12.5086 12.5540 12.5540 12.8327 12.8327 12.8390 12.8390 13.0246 13.0246 13.1791 13.1791 13.5171 13.5171 14.0759 14.0759 k = 0.1549 0.1549 0.1549 ( 2202 PWs) bands (ev): -8.8691 -8.8691 -8.8662 -8.8662 -7.8440 -7.8440 -7.8405 -7.8405 -7.8347 -7.8347 3.0231 3.0231 9.1267 9.1267 9.6803 9.6803 9.7702 9.7702 10.1995 10.1995 10.7725 10.7725 10.7808 10.7808 11.2723 11.2723 11.7622 11.7622 11.7980 11.7980 12.5019 12.5019 12.5481 12.5481 12.8174 12.8174 12.8252 12.8252 12.9891 12.9891 13.1912 13.1912 13.5144 13.5144 14.0980 14.0980 k = 0.1620 0.1620 0.1620 ( 2196 PWs) bands (ev): -8.8688 -8.8688 -8.8657 -8.8657 -7.8433 -7.8433 -7.8395 -7.8395 -7.8349 -7.8349 3.0846 3.0846 9.0955 9.0955 9.6426 9.6426 9.7358 9.7358 10.1899 10.1899 10.7885 10.7885 10.7969 10.7969 11.2565 11.2565 11.7474 11.7474 11.7780 11.7780 12.4955 12.4955 12.5424 12.5424 12.8020 12.8020 12.8115 12.8115 12.9528 12.9528 13.2020 13.2020 13.5117 13.5117 14.1178 14.1178 k = 0.1690 0.1690 0.1690 ( 2196 PWs) bands (ev): -8.8684 -8.8684 -8.8652 -8.8652 -7.8426 -7.8426 -7.8385 -7.8385 -7.8350 -7.8350 3.1482 3.1482 9.0605 9.0605 9.6056 9.6056 9.7019 9.7019 10.1847 10.1847 10.8046 10.8046 10.8131 10.8131 11.2426 11.2426 11.7327 11.7327 11.7582 11.7582 12.4898 12.4898 12.5369 12.5369 12.7866 12.7866 12.7980 12.7980 12.9159 12.9159 13.2114 13.2114 13.5091 13.5091 14.1349 14.1349 k = 0.1761 0.1761 0.1761 ( 2196 PWs) bands (ev): -8.8680 -8.8680 -8.8646 -8.8646 -7.8419 -7.8419 -7.8375 -7.8375 -7.8351 -7.8351 3.2140 3.2140 9.0221 9.0221 9.5695 9.5695 9.6685 9.6685 10.1842 10.1842 10.8208 10.8208 10.8293 10.8293 11.2306 11.2306 11.7180 11.7180 11.7385 11.7385 12.4847 12.4847 12.5320 12.5320 12.7711 12.7711 12.7848 12.7848 12.8785 12.8785 13.2197 13.2197 13.5066 13.5066 14.1494 14.1494 k = 0.1831 0.1831 0.1831 ( 2208 PWs) bands (ev): -8.8676 -8.8676 -8.8641 -8.8641 -7.8413 -7.8413 -7.8365 -7.8365 -7.8352 -7.8352 3.2819 3.2819 8.9807 8.9807 9.5343 9.5343 9.6360 9.6360 10.1879 10.1879 10.8369 10.8369 10.8454 10.8454 11.2200 11.2200 11.7030 11.7030 11.7186 11.7186 12.4805 12.4805 12.5277 12.5277 12.7554 12.7554 12.7719 12.7719 12.8407 12.8407 13.2268 13.2268 13.5041 13.5041 14.1610 14.1610 k = 0.1901 0.1901 0.1901 ( 2196 PWs) bands (ev): -8.8673 -8.8673 -8.8636 -8.8636 -7.8408 -7.8408 -7.8355 -7.8355 -7.8352 -7.8352 3.3517 3.3517 8.9370 8.9370 9.5003 9.5003 9.6044 9.6044 10.1961 10.1961 10.8529 10.8529 10.8614 10.8614 11.2110 11.2110 11.6879 11.6879 11.6990 11.6990 12.4770 12.4770 12.5242 12.5242 12.7395 12.7395 12.7595 12.7595 12.8035 12.8035 13.2329 13.2329 13.5017 13.5017 14.1699 14.1699 k = 0.1972 0.1972 0.1972 ( 2196 PWs) bands (ev): -8.8669 -8.8669 -8.8631 -8.8631 -7.8404 -7.8404 -7.8351 -7.8351 -7.8345 -7.8345 3.4233 3.4233 8.8916 8.8916 9.4675 9.4675 9.5738 9.5738 10.2080 10.2080 10.8685 10.8685 10.8770 10.8770 11.2032 11.2032 11.6725 11.6725 11.6793 11.6793 12.4743 12.4743 12.5214 12.5214 12.7224 12.7224 12.7477 12.7477 12.7674 12.7674 13.2381 13.2381 13.4993 13.4993 14.1759 14.1759 k = 0.2042 0.2042 0.2042 ( 2196 PWs) bands (ev): -8.8665 -8.8665 -8.8627 -8.8627 -7.8401 -7.8401 -7.8349 -7.8349 -7.8335 -7.8335 3.4967 3.4967 8.8449 8.8449 9.4361 9.4361 9.5445 9.5445 10.2235 10.2235 10.8835 10.8835 10.8920 10.8920 11.1967 11.1967 11.6568 11.6568 11.6597 11.6597 12.4724 12.4724 12.5194 12.5194 12.7013 12.7013 12.7355 12.7355 12.7364 12.7364 13.2423 13.2423 13.4969 13.4969 14.1789 14.1789 k = 0.2113 0.2113 0.2113 ( 2196 PWs) bands (ev): -8.8662 -8.8662 -8.8622 -8.8622 -7.8401 -7.8401 -7.8345 -7.8345 -7.8325 -7.8325 3.5717 3.5717 8.7977 8.7977 9.4061 9.4061 9.5166 9.5166 10.2421 10.2421 10.8978 10.8978 10.9062 10.9062 11.1913 11.1913 11.6403 11.6403 11.6410 11.6410 12.4712 12.4712 12.5181 12.5181 12.6722 12.6722 12.7121 12.7121 12.7258 12.7258 13.2457 13.2457 13.4945 13.4945 14.1790 14.1790 k = 0.2183 0.2183 0.2183 ( 2196 PWs) bands (ev): -8.8658 -8.8658 -8.8618 -8.8618 -7.8401 -7.8401 -7.8341 -7.8341 -7.8315 -7.8315 3.6481 3.6481 8.7503 8.7503 9.3778 9.3778 9.4901 9.4901 10.2637 10.2637 10.9111 10.9111 10.9194 10.9194 11.1870 11.1870 11.6213 11.6213 11.6253 11.6253 12.4706 12.4706 12.5171 12.5171 12.6377 12.6377 12.6951 12.6951 12.7159 12.7159 13.2482 13.2482 13.4922 13.4922 14.1761 14.1761 k = 0.2254 0.2254 0.2254 ( 2208 PWs) bands (ev): -8.8655 -8.8655 -8.8614 -8.8614 -7.8403 -7.8403 -7.8335 -7.8335 -7.8305 -7.8305 3.7259 3.7259 8.7034 8.7034 9.3510 9.3510 9.4651 9.4651 10.2875 10.2875 10.9231 10.9231 10.9313 10.9313 11.1837 11.1837 11.6028 11.6028 11.6096 11.6096 12.4705 12.4705 12.5157 12.5157 12.6022 12.6022 12.6808 12.6808 12.7070 12.7070 13.2498 13.2498 13.4897 13.4897 14.1703 14.1703 k = 0.2324 0.2324 0.2324 ( 2205 PWs) bands (ev): -8.8651 -8.8651 -8.8610 -8.8610 -7.8406 -7.8406 -7.8328 -7.8328 -7.8296 -7.8296 3.8048 3.8048 8.6573 8.6573 9.3261 9.3261 9.4419 9.4419 10.3138 10.3138 10.9336 10.9336 10.9416 10.9416 11.1817 11.1817 11.5852 11.5852 11.5945 11.5945 12.4708 12.4708 12.5113 12.5113 12.5698 12.5698 12.6682 12.6682 12.6990 12.6990 13.2508 13.2508 13.4873 13.4873 14.1616 14.1616 k = 0.2394 0.2394 0.2394 ( 2205 PWs) bands (ev): -8.8648 -8.8648 -8.8606 -8.8606 -7.8410 -7.8410 -7.8321 -7.8321 -7.8287 -7.8287 3.8846 3.8846 8.6126 8.6126 9.3031 9.3031 9.4203 9.4203 10.3418 10.3418 10.9423 10.9423 10.9501 10.9501 11.1804 11.1804 11.5688 11.5688 11.5802 11.5802 12.4712 12.4712 12.4965 12.4965 12.5482 12.5482 12.6568 12.6568 12.6922 12.6922 13.2509 13.2509 13.4850 13.4850 14.1500 14.1500 k = 0.2465 0.2465 0.2465 ( 2199 PWs) bands (ev): -8.8645 -8.8645 -8.8603 -8.8603 -7.8415 -7.8415 -7.8314 -7.8314 -7.8277 -7.8277 3.9652 3.9652 8.5697 8.5697 9.2819 9.2819 9.4006 9.4006 10.3715 10.3715 10.9488 10.9488 10.9564 10.9564 11.1803 11.1803 11.5538 11.5538 11.5669 11.5669 12.4679 12.4679 12.4717 12.4717 12.5407 12.5407 12.6467 12.6467 12.6865 12.6865 13.2502 13.2502 13.4826 13.4826 14.1356 14.1356 k = 0.2535 0.2535 0.2535 ( 2199 PWs) bands (ev): -8.8642 -8.8642 -8.8600 -8.8600 -7.8420 -7.8420 -7.8306 -7.8306 -7.8269 -7.8269 4.0464 4.0464 8.5288 8.5288 9.2628 9.2628 9.3827 9.3827 10.4023 10.4023 10.9527 10.9527 10.9601 10.9601 11.1814 11.1814 11.5406 11.5406 11.5551 11.5551 12.4331 12.4331 12.4720 12.4720 12.5392 12.5392 12.6383 12.6383 12.6821 12.6821 13.2487 13.2487 13.4802 13.4802 14.1185 14.1185 k = 0.2606 0.2606 0.2606 ( 2211 PWs) bands (ev): -8.8639 -8.8639 -8.8597 -8.8597 -7.8425 -7.8425 -7.8298 -7.8298 -7.8260 -7.8260 4.1278 4.1278 8.4905 8.4905 9.2457 9.2457 9.3668 9.3668 10.4341 10.4341 10.9538 10.9538 10.9609 10.9609 11.1837 11.1837 11.5293 11.5293 11.5449 11.5449 12.3967 12.3967 12.4719 12.4719 12.5387 12.5387 12.6316 12.6316 12.6789 12.6789 13.2464 13.2464 13.4778 13.4778 14.0987 14.0987 k = 0.2676 0.2676 0.2676 ( 2211 PWs) bands (ev): -8.8636 -8.8636 -8.8595 -8.8595 -7.8431 -7.8431 -7.8290 -7.8290 -7.8252 -7.8252 4.2094 4.2094 8.4550 8.4550 9.2307 9.2307 9.3528 9.3528 10.4663 10.4663 10.9519 10.9519 10.9588 10.9588 11.1875 11.1875 11.5204 11.5204 11.5367 11.5367 12.3599 12.3599 12.4715 12.4715 12.5377 12.5377 12.6275 12.6275 12.6772 12.6772 13.2432 13.2432 13.4754 13.4754 14.0764 14.0764 k = 0.2746 0.2746 0.2746 ( 2211 PWs) bands (ev): -8.8633 -8.8633 -8.8593 -8.8593 -7.8437 -7.8437 -7.8283 -7.8283 -7.8244 -7.8244 4.2907 4.2907 8.4227 8.4227 9.2178 9.2178 9.3409 9.3409 10.4986 10.4986 10.9467 10.9467 10.9535 10.9535 11.1931 11.1931 11.5138 11.5138 11.5308 11.5308 12.3233 12.3233 12.4705 12.4705 12.5353 12.5353 12.6262 12.6262 12.6768 12.6768 13.2391 13.2391 13.4728 13.4728 14.0517 14.0517 k = 0.2817 0.2817 0.2817 ( 2205 PWs) bands (ev): -8.8631 -8.8631 -8.8591 -8.8591 -7.8443 -7.8443 -7.8275 -7.8275 -7.8236 -7.8236 4.3715 4.3715 8.3941 8.3941 9.2071 9.2071 9.3311 9.3311 10.5306 10.5306 10.9382 10.9382 10.9450 10.9450 11.2006 11.2006 11.5097 11.5097 11.5271 11.5271 12.2871 12.2871 12.4690 12.4690 12.5313 12.5313 12.6273 12.6273 12.6776 12.6776 13.2341 13.2341 13.4704 13.4704 14.0249 14.0249 k = 0.2887 0.2887 0.2887 ( 2205 PWs) bands (ev): -8.8629 -8.8629 -8.8589 -8.8589 -7.8450 -7.8450 -7.8267 -7.8267 -7.8229 -7.8229 4.4515 4.4515 8.3693 8.3693 9.1986 9.1986 9.3233 9.3233 10.5617 10.5617 10.9264 10.9264 10.9332 10.9332 11.2103 11.2103 11.5080 11.5080 11.5257 11.5257 12.2513 12.2513 12.4670 12.4670 12.5259 12.5259 12.6305 12.6305 12.6794 12.6794 13.2279 13.2279 13.4679 13.4679 13.9960 13.9960 k = 0.2958 0.2958 0.2958 ( 2211 PWs) bands (ev): -8.8626 -8.8626 -8.8588 -8.8588 -7.8457 -7.8457 -7.8260 -7.8260 -7.8222 -7.8222 4.5304 4.5304 8.3487 8.3487 9.1923 9.1923 9.3176 9.3176 10.5913 10.5913 10.9114 10.9114 10.9184 10.9184 11.2227 11.2227 11.5083 11.5083 11.5265 11.5265 12.2162 12.2162 12.4645 12.4645 12.5194 12.5194 12.6353 12.6353 12.6820 12.6820 13.2207 13.2207 13.4653 13.4653 13.9654 13.9654 k = 0.3028 0.3028 0.3028 ( 2214 PWs) bands (ev): -8.8624 -8.8624 -8.8587 -8.8587 -7.8464 -7.8464 -7.8252 -7.8252 -7.8215 -7.8215 4.6079 4.6079 8.3328 8.3328 9.1882 9.1882 9.3140 9.3140 10.6189 10.6189 10.8934 10.8934 10.9007 10.9007 11.2380 11.2380 11.5108 11.5108 11.5293 11.5293 12.1818 12.1818 12.4617 12.4617 12.5122 12.5122 12.6411 12.6411 12.6851 12.6851 13.2122 13.2122 13.4628 13.4628 13.9333 13.9333 k = 0.3099 0.3099 0.3099 ( 2214 PWs) bands (ev): -8.8622 -8.8622 -8.8586 -8.8586 -7.8471 -7.8471 -7.8245 -7.8245 -7.8209 -7.8209 4.6836 4.6836 8.3217 8.3217 9.1864 9.1864 9.3126 9.3126 10.6438 10.6438 10.8729 10.8729 10.8806 10.8806 11.2568 11.2568 11.5148 11.5148 11.5338 11.5338 12.1482 12.1482 12.4585 12.4585 12.5047 12.5047 12.6475 12.6475 12.6887 12.6887 13.2024 13.2024 13.4603 13.4603 13.9000 13.9000 k = 0.3169 0.3169 0.3169 ( 2217 PWs) bands (ev): -8.8620 -8.8620 -8.8586 -8.8586 -7.8478 -7.8478 -7.8238 -7.8238 -7.8203 -7.8203 4.7571 4.7571 8.3159 8.3159 9.1867 9.1867 9.3133 9.3133 10.6654 10.6654 10.8502 10.8502 10.8582 10.8582 11.2794 11.2794 11.5202 11.5202 11.5397 11.5397 12.1155 12.1155 12.4550 12.4550 12.4969 12.4969 12.6541 12.6541 12.6925 12.6925 13.1913 13.1913 13.4577 13.4577 13.8657 13.8657 k = 0.3239 0.3239 0.3239 ( 2211 PWs) bands (ev): -8.8619 -8.8619 -8.8586 -8.8586 -7.8486 -7.8486 -7.8231 -7.8231 -7.8197 -7.8197 4.8282 4.8282 8.3156 8.3156 9.1894 9.1894 9.3161 9.3161 10.6829 10.6829 10.8259 10.8259 10.8338 10.8338 11.3060 11.3060 11.5266 11.5266 11.5468 11.5468 12.0837 12.0837 12.4514 12.4514 12.4891 12.4891 12.6607 12.6607 12.6964 12.6964 13.1786 13.1786 13.4552 13.4552 13.8310 13.8310 k = 0.3310 0.3310 0.3310 ( 2223 PWs) bands (ev): -8.8617 -8.8617 -8.8586 -8.8586 -7.8493 -7.8493 -7.8224 -7.8224 -7.8191 -7.8191 4.8965 4.8965 8.3210 8.3210 9.1942 9.1942 9.3210 9.3210 10.6952 10.6952 10.8009 10.8009 10.8077 10.8077 11.3366 11.3366 11.5337 11.5337 11.5547 11.5547 12.0526 12.0526 12.4476 12.4476 12.4813 12.4813 12.6666 12.6666 12.6997 12.6997 13.1643 13.1643 13.4525 13.4525 13.7958 13.7958 k = 0.3380 0.3380 0.3380 ( 2223 PWs) bands (ev): -8.8616 -8.8616 -8.8586 -8.8586 -7.8501 -7.8501 -7.8217 -7.8217 -7.8186 -7.8186 4.9617 4.9617 8.3324 8.3324 9.2012 9.2012 9.3280 9.3280 10.7005 10.7005 10.7774 10.7774 10.7801 10.7801 11.3714 11.3714 11.5414 11.5414 11.5633 11.5633 12.0227 12.0227 12.4438 12.4438 12.4736 12.4736 12.6721 12.6721 12.7025 12.7025 13.1483 13.1483 13.4500 13.4500 13.7610 13.7610 k = 0.3451 0.3451 0.3451 ( 2218 PWs) bands (ev): -8.8614 -8.8614 -8.8586 -8.8586 -7.8508 -7.8508 -7.8211 -7.8211 -7.8181 -7.8181 5.0234 5.0234 8.3500 8.3500 9.2104 9.2104 9.3371 9.3371 10.6949 10.6949 10.7513 10.7513 10.7593 10.7593 11.4100 11.4100 11.5493 11.5493 11.5723 11.5723 11.9939 11.9939 12.4399 12.4399 12.4660 12.4660 12.6766 12.6766 12.7046 12.7046 13.1305 13.1305 13.4475 13.4475 13.7267 13.7267 k = 0.3521 0.3521 0.3521 ( 2218 PWs) bands (ev): -8.8613 -8.8613 -8.8587 -8.8587 -7.8516 -7.8516 -7.8205 -7.8205 -7.8177 -7.8177 5.0816 5.0816 8.3739 8.3739 9.2218 9.2218 9.3482 9.3482 10.6762 10.6762 10.7213 10.7213 10.7489 10.7489 11.4521 11.4521 11.5573 11.5573 11.5817 11.5817 11.9662 11.9662 12.4359 12.4359 12.4585 12.4585 12.6803 12.6803 12.7057 12.7057 13.1108 13.1108 13.4449 13.4449 13.6933 13.6933 k = 0.3592 0.3592 0.3592 ( 2215 PWs) bands (ev): -8.8612 -8.8612 -8.8587 -8.8587 -7.8523 -7.8523 -7.8199 -7.8199 -7.8173 -7.8173 5.1359 5.1359 8.4041 8.4041 9.2353 9.2353 9.3613 9.3613 10.6487 10.6487 10.6904 10.6904 10.7424 10.7424 11.4971 11.4971 11.5652 11.5652 11.5914 11.5914 11.9397 11.9397 12.4318 12.4318 12.4511 12.4511 12.6828 12.6828 12.7058 12.7058 13.0893 13.0893 13.4424 13.4424 13.6611 13.6611 k = 0.3662 0.3662 0.3662 ( 2209 PWs) bands (ev): -8.8611 -8.8611 -8.8588 -8.8588 -7.8530 -7.8530 -7.8193 -7.8193 -7.8169 -7.8169 5.1864 5.1864 8.4406 8.4406 9.2509 9.2509 9.3764 9.3764 10.6167 10.6167 10.6586 10.6586 10.7356 10.7356 11.5439 11.5439 11.5729 11.5729 11.6020 11.6020 11.9143 11.9143 12.4276 12.4276 12.4437 12.4437 12.6842 12.6842 12.7048 12.7048 13.0658 13.0658 13.4398 13.4398 13.6306 13.6306 k = 0.3732 0.3732 0.3732 ( 2203 PWs) bands (ev): -8.8610 -8.8610 -8.8589 -8.8589 -7.8538 -7.8538 -7.8188 -7.8188 -7.8165 -7.8165 5.2328 5.2328 8.4834 8.4834 9.2685 9.2685 9.3934 9.3934 10.5824 10.5824 10.6261 10.6261 10.7264 10.7264 11.5802 11.5802 11.5864 11.5864 11.6189 11.6189 11.8903 11.8903 12.4232 12.4232 12.4364 12.4364 12.6843 12.6843 12.7026 12.7026 13.0404 13.0404 13.4373 13.4373 13.6020 13.6020 k = 0.3803 0.3803 0.3803 ( 2212 PWs) bands (ev): -8.8609 -8.8609 -8.8590 -8.8590 -7.8545 -7.8545 -7.8183 -7.8183 -7.8162 -7.8162 5.2751 5.2751 8.5321 8.5321 9.2882 9.2882 9.4122 9.4122 10.5464 10.5464 10.5928 10.5928 10.7144 10.7144 11.5871 11.5871 11.6076 11.6076 11.6583 11.6583 11.8674 11.8674 12.4185 12.4185 12.4289 12.4289 12.6832 12.6832 12.6992 12.6992 13.0132 13.0132 13.4347 13.4347 13.5754 13.5754 k = 0.3873 0.3873 0.3873 ( 2212 PWs) bands (ev): -8.8609 -8.8609 -8.8591 -8.8591 -7.8551 -7.8551 -7.8178 -7.8178 -7.8159 -7.8159 5.3136 5.3136 8.5867 8.5867 9.3099 9.3099 9.4329 9.4329 10.5092 10.5092 10.5589 10.5589 10.6992 10.6992 11.5935 11.5935 11.6176 11.6176 11.7098 11.7098 11.8462 11.8462 12.4135 12.4135 12.4214 12.4214 12.6811 12.6811 12.6948 12.6948 12.9845 12.9845 13.4320 13.4320 13.5514 13.5514 k = 0.3944 0.3944 0.3944 ( 2224 PWs) bands (ev): -8.8608 -8.8608 -8.8593 -8.8593 -7.8558 -7.8558 -7.8173 -7.8173 -7.8156 -7.8156 5.3481 5.3481 8.6468 8.6468 9.3335 9.3335 9.4553 9.4553 10.4709 10.4709 10.5244 10.5244 10.6807 10.6807 11.5993 11.5993 11.6249 11.6249 11.7631 11.7631 11.8272 11.8272 12.4080 12.4080 12.4138 12.4138 12.6779 12.6779 12.6894 12.6894 12.9542 12.9542 13.4293 13.4293 13.5298 13.5299 k = 0.4014 0.4014 0.4014 ( 2230 PWs) bands (ev): -8.8608 -8.8608 -8.8594 -8.8594 -7.8564 -7.8564 -7.8168 -7.8168 -7.8153 -7.8153 5.3789 5.3789 8.7119 8.7119 9.3589 9.3589 9.4794 9.4794 10.4319 10.4319 10.4893 10.4893 10.6587 10.6587 11.6046 11.6046 11.6312 11.6312 11.7998 11.7998 11.8275 11.8275 12.4022 12.4022 12.4060 12.4060 12.6737 12.6737 12.6833 12.6833 12.9230 12.9230 13.4264 13.4264 13.5109 13.5109 k = 0.4085 0.4085 0.4085 ( 2230 PWs) bands (ev): -8.8607 -8.8607 -8.8595 -8.8595 -7.8570 -7.8570 -7.8164 -7.8164 -7.8151 -7.8151 5.4062 5.4062 8.7816 8.7816 9.3862 9.3862 9.5051 9.5051 10.3922 10.3922 10.4538 10.4538 10.6331 10.6331 11.6094 11.6094 11.6363 11.6363 11.7876 11.7876 11.8785 11.8785 12.3958 12.3958 12.3981 12.3981 12.6691 12.6691 12.6769 12.6769 12.8910 12.8910 13.4233 13.4233 13.4948 13.4948 k = 0.4155 0.4155 0.4155 ( 2236 PWs) bands (ev): -8.8607 -8.8607 -8.8596 -8.8596 -7.8576 -7.8576 -7.8160 -7.8160 -7.8149 -7.8149 5.4302 5.4302 8.8553 8.8553 9.4153 9.4153 9.5323 9.5323 10.3518 10.3518 10.4179 10.4179 10.6039 10.6039 11.6135 11.6135 11.6404 11.6404 11.7728 11.7728 11.9334 11.9334 12.3889 12.3889 12.3901 12.3901 12.6640 12.6640 12.6701 12.6701 12.8588 12.8588 13.4199 13.4199 13.4813 13.4813 k = 0.4225 0.4225 0.4225 ( 2236 PWs) bands (ev): -8.8606 -8.8606 -8.8598 -8.8598 -7.8581 -7.8581 -7.8157 -7.8157 -7.8147 -7.8147 5.4511 5.4511 8.9325 8.9325 9.4462 9.4462 9.5610 9.5610 10.3108 10.3108 10.3815 10.3815 10.5708 10.5708 11.6172 11.6172 11.6434 11.6434 11.7593 11.7593 11.9876 11.9876 12.3816 12.3816 12.3819 12.3819 12.6588 12.6588 12.6635 12.6635 12.8270 12.8270 13.4163 13.4163 13.4704 13.4704 k = 0.4296 0.4296 0.4296 ( 2236 PWs) bands (ev): -8.8606 -8.8606 -8.8599 -8.8599 -7.8586 -7.8586 -7.8153 -7.8153 -7.8145 -7.8145 5.4692 5.4692 9.0126 9.0126 9.4787 9.4787 9.5909 9.5909 10.2693 10.2693 10.3447 10.3447 10.5338 10.5338 11.6203 11.6203 11.6452 11.6452 11.7475 11.7475 12.0402 12.0402 12.3738 12.3738 12.3740 12.3740 12.6535 12.6535 12.6572 12.6572 12.7961 12.7961 13.4125 13.4125 13.4618 13.4618 k = 0.4366 0.4366 0.4366 ( 2236 PWs) bands (ev): -8.8606 -8.8606 -8.8600 -8.8600 -7.8591 -7.8591 -7.8150 -7.8150 -7.8144 -7.8144 5.4847 5.4847 9.0948 9.0948 9.5130 9.5130 9.6221 9.6221 10.2274 10.2274 10.3076 10.3076 10.4928 10.4928 11.6229 11.6229 11.6459 11.6459 11.7376 11.7376 12.0904 12.0904 12.3657 12.3657 12.3661 12.3661 12.6484 12.6484 12.6513 12.6513 12.7668 12.7668 13.4087 13.4087 13.4552 13.4552 k = 0.4437 0.4437 0.4437 ( 2230 PWs) bands (ev): -8.8606 -8.8606 -8.8601 -8.8601 -7.8595 -7.8595 -7.8148 -7.8148 -7.8142 -7.8142 5.4979 5.4979 9.1783 9.1783 9.5490 9.5490 9.6543 9.6543 10.1852 10.1852 10.2702 10.2702 10.4477 10.4477 11.6251 11.6251 11.6455 11.6455 11.7296 11.7296 12.1374 12.1374 12.3579 12.3579 12.3582 12.3582 12.6438 12.6438 12.6461 12.6461 12.7398 12.7398 13.4050 13.4050 13.4502 13.4502 k = 0.4507 0.4507 0.4507 ( 2242 PWs) bands (ev): -8.8606 -8.8606 -8.8602 -8.8602 -7.8599 -7.8599 -7.8145 -7.8145 -7.8141 -7.8141 5.5090 5.5090 9.2623 9.2623 9.5869 9.5869 9.6875 9.6875 10.1427 10.1427 10.2327 10.2327 10.3985 10.3985 11.6268 11.6268 11.6441 11.6441 11.7234 11.7234 12.1802 12.1802 12.3504 12.3504 12.3504 12.3504 12.6395 12.6395 12.6414 12.6414 12.7156 12.7156 13.4015 13.4015 13.4463 13.4463 k = 0.4577 0.4577 0.4577 ( 2242 PWs) bands (ev): -8.8606 -8.8606 -8.8603 -8.8603 -7.8602 -7.8602 -7.8143 -7.8143 -7.8140 -7.8140 5.5181 5.5181 9.3458 9.3458 9.6267 9.6267 9.7214 9.7214 10.1001 10.1001 10.1951 10.1951 10.3453 10.3453 11.6281 11.6281 11.6419 11.6419 11.7188 11.7188 12.2182 12.2182 12.3431 12.3431 12.3435 12.3435 12.6358 12.6358 12.6375 12.6375 12.6949 12.6949 13.3985 13.3985 13.4434 13.4434 k = 0.4648 0.4648 0.4648 ( 2242 PWs) bands (ev): -8.8605 -8.8605 -8.8603 -8.8603 -7.8605 -7.8605 -7.8142 -7.8142 -7.8139 -7.8139 5.5256 5.5256 9.4272 9.4272 9.6688 9.6688 9.7558 9.7558 10.0576 10.0576 10.1576 10.1576 10.2885 10.2885 11.6292 11.6292 11.6394 11.6394 11.7156 11.7156 12.2506 12.2506 12.3364 12.3364 12.3374 12.3374 12.6327 12.6327 12.6343 12.6343 12.6780 12.6780 13.3960 13.3960 13.4413 13.4413 k = 0.4718 0.4718 0.4718 ( 2248 PWs) bands (ev): -8.8605 -8.8605 -8.8604 -8.8604 -7.8607 -7.8607 -7.8140 -7.8140 -7.8139 -7.8139 5.5314 5.5314 9.5049 9.5049 9.7138 9.7138 9.7903 9.7903 10.0156 10.0156 10.1207 10.1207 10.2284 10.2284 11.6299 11.6299 11.6368 11.6368 11.7133 11.7133 12.2769 12.2769 12.3305 12.3305 12.3321 12.3321 12.6303 12.6303 12.6317 12.6317 12.6650 12.6650 13.3939 13.3939 13.4397 13.4397 k = 0.4789 0.4789 0.4789 ( 2254 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8609 -7.8609 -7.8139 -7.8139 -7.8138 -7.8138 5.5359 5.5359 9.5761 9.5761 9.7622 9.7622 9.8243 9.8243 9.9749 9.9749 10.0848 10.0848 10.1659 10.1659 11.6304 11.6304 11.6345 11.6345 11.7117 11.7117 12.2966 12.2966 12.3258 12.3258 12.3279 12.3279 12.6287 12.6287 12.6297 12.6297 12.6556 12.6556 13.3924 13.3924 13.4385 13.4385 k = 0.4859 0.4859 0.4859 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8610 -7.8610 -7.8138 -7.8138 -7.8138 -7.8138 5.5389 5.5389 9.6370 9.6370 9.8142 9.8142 9.8563 9.8563 9.9370 9.9370 10.0515 10.0515 10.1028 10.1028 11.6308 11.6308 11.6326 11.6326 11.7107 11.7107 12.3102 12.3102 12.3222 12.3222 12.3248 12.3248 12.6276 12.6276 12.6282 12.6282 12.6495 12.6495 13.3911 13.3911 13.4376 13.4376 k = 0.4930 0.4930 0.4930 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8138 -7.8138 5.5408 5.5408 9.6812 9.6812 9.8660 9.8660 9.8826 9.8826 9.9069 9.9069 10.0244 10.0244 10.0442 10.0442 11.6310 11.6310 11.6315 11.6315 11.7102 11.7102 12.3176 12.3176 12.3201 12.3201 12.3235 12.3235 12.6272 12.6272 12.6274 12.6274 12.6461 12.6461 13.3905 13.3905 13.4371 13.4371 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8138 -7.8138 5.5414 5.5414 9.6985 9.6985 9.8940 9.8940 9.8940 9.8940 9.8954 9.8954 10.0128 10.0128 10.0128 10.0128 11.6311 11.6311 11.6311 11.6311 11.7100 11.7100 12.3194 12.3194 12.3194 12.3194 12.3237 12.3237 12.6271 12.6271 12.6271 12.6271 12.6450 12.6450 13.3902 13.3902 13.4370 13.4370 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8138 -7.8138 5.5414 5.5414 9.6985 9.6985 9.8940 9.8940 9.8940 9.8940 9.8954 9.8954 10.0128 10.0128 10.0128 10.0128 11.6311 11.6311 11.6311 11.6311 11.7100 11.7100 12.3194 12.3194 12.3194 12.3194 12.3237 12.3237 12.6271 12.6271 12.6271 12.6271 12.6450 12.6450 13.3902 13.3902 13.4370 13.4370 k = 0.4914 0.5000 0.4914 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8138 -7.8138 5.5408 5.5408 9.6813 9.6813 9.8622 9.8622 9.8958 9.8958 9.8971 9.8971 10.0253 10.0253 10.0436 10.0436 11.6310 11.6310 11.6315 11.6315 11.7102 11.7102 12.3174 12.3174 12.3202 12.3202 12.3237 12.3237 12.6271 12.6271 12.6275 12.6275 12.6461 12.6461 13.3905 13.3905 13.4370 13.4370 k = 0.4828 0.5000 0.4828 ( 2268 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8610 -7.8610 -7.8138 -7.8138 -7.8138 -7.8138 5.5389 5.5389 9.6378 9.6378 9.8005 9.8005 9.8996 9.8996 9.9021 9.9021 10.0589 10.0589 10.0999 10.0999 11.6308 11.6308 11.6326 11.6326 11.7107 11.7107 12.3092 12.3092 12.3219 12.3219 12.3264 12.3264 12.6273 12.6273 12.6286 12.6286 12.6493 12.6493 13.3911 13.3911 13.4371 13.4371 k = 0.4741 0.5000 0.4741 ( 2256 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8609 -7.8609 -7.8140 -7.8140 -7.8138 -7.8138 5.5359 5.5359 9.5802 9.5802 9.7318 9.7318 9.9052 9.9052 9.9063 9.9063 10.1049 10.1049 10.1597 10.1597 11.6305 11.6305 11.6345 11.6345 11.7117 11.7117 12.2947 12.2947 12.3241 12.3241 12.3322 12.3322 12.6278 12.6278 12.6306 12.6306 12.6550 12.6550 13.3922 13.3922 13.4372 13.4372 k = 0.4655 0.5000 0.4655 ( 2248 PWs) bands (ev): -8.8605 -8.8605 -8.8604 -8.8604 -7.8607 -7.8607 -7.8141 -7.8141 -7.8138 -7.8138 5.5316 5.5316 9.5155 9.5155 9.6606 9.6606 9.9073 9.9073 9.9150 9.9150 10.1563 10.1563 10.2189 10.2189 11.6300 11.6300 11.6369 11.6369 11.7132 11.7132 12.2739 12.2739 12.3269 12.3269 12.3403 12.3403 12.6287 12.6287 12.6332 12.6332 12.6631 12.6631 13.3935 13.3935 13.4376 13.4376 k = 0.4569 0.5000 0.4569 ( 2240 PWs) bands (ev): -8.8606 -8.8606 -8.8603 -8.8603 -7.8605 -7.8605 -7.8143 -7.8143 -7.8138 -7.8138 5.5259 5.5259 9.4467 9.4467 9.5883 9.5883 9.9085 9.9085 9.9264 9.9264 10.2092 10.2092 10.2763 10.2763 11.6293 11.6293 11.6396 11.6396 11.7153 11.7153 12.2471 12.2471 12.3305 12.3305 12.3501 12.3501 12.6302 12.6302 12.6365 12.6365 12.6740 12.6740 13.3949 13.3949 13.4382 13.4382 k = 0.4483 0.5000 0.4483 ( 2236 PWs) bands (ev): -8.8606 -8.8606 -8.8603 -8.8603 -7.8602 -7.8602 -7.8146 -7.8146 -7.8138 -7.8138 5.5187 5.5187 9.3754 9.3754 9.5159 9.5159 9.9092 9.9092 9.9403 9.9403 10.2614 10.2614 10.3315 10.3315 11.6284 11.6284 11.6424 11.6424 11.7184 11.7184 12.2146 12.2146 12.3347 12.3347 12.3614 12.3614 12.6323 12.6323 12.6404 12.6404 12.6877 12.6877 13.3964 13.3964 13.4394 13.4394 k = 0.4397 0.5000 0.4397 ( 2236 PWs) bands (ev): -8.8606 -8.8606 -8.8602 -8.8602 -7.8599 -7.8599 -7.8148 -7.8148 -7.8138 -7.8138 5.5101 5.5101 9.3025 9.3025 9.4443 9.4443 9.9097 9.9097 9.9566 9.9566 10.3117 10.3117 10.3843 10.3843 11.6271 11.6271 11.6450 11.6450 11.7226 11.7226 12.1770 12.1770 12.3396 12.3396 12.3735 12.3735 12.6351 12.6351 12.6449 12.6449 12.7041 12.7041 13.3977 13.3977 13.4415 13.4415 k = 0.4310 0.5000 0.4310 ( 2232 PWs) bands (ev): -8.8606 -8.8606 -8.8601 -8.8601 -7.8595 -7.8595 -7.8152 -7.8152 -7.8138 -7.8138 5.4998 5.4998 9.2281 9.2281 9.3744 9.3744 9.9101 9.9101 9.9753 9.9753 10.3595 10.3595 10.4349 10.4349 11.6255 11.6255 11.6471 11.6471 11.7283 11.7283 12.1348 12.1348 12.3452 12.3452 12.3859 12.3859 12.6388 12.6388 12.6499 12.6499 12.7228 12.7228 13.3988 13.3988 13.4452 13.4452 k = 0.4224 0.5000 0.4224 ( 2234 PWs) bands (ev): -8.8606 -8.8606 -8.8599 -8.8599 -7.8591 -7.8591 -7.8155 -7.8155 -7.8138 -7.8138 5.4878 5.4878 9.1524 9.1524 9.3069 9.3069 9.9106 9.9106 9.9964 9.9964 10.4040 10.4040 10.4834 10.4834 11.6235 11.6235 11.6483 11.6483 11.7357 11.7357 12.0887 12.0887 12.3515 12.3515 12.3981 12.3981 12.6432 12.6432 12.6552 12.6552 12.7431 12.7431 13.3994 13.3994 13.4512 13.4512 k = 0.4138 0.5000 0.4138 ( 2238 PWs) bands (ev): -8.8607 -8.8607 -8.8598 -8.8598 -7.8586 -7.8586 -7.8160 -7.8160 -7.8139 -7.8139 5.4739 5.4739 9.0755 9.0755 9.2426 9.2426 9.9112 9.9112 10.0197 10.0197 10.4449 10.4449 10.5300 10.5300 11.6211 11.6211 11.6485 11.6485 11.7448 11.7448 12.0395 12.0395 12.3584 12.3584 12.4096 12.4096 12.6488 12.6488 12.6607 12.6607 12.7643 12.7643 13.3995 13.3995 13.4604 13.4604 k = 0.4052 0.5000 0.4052 ( 2234 PWs) bands (ev): -8.8607 -8.8607 -8.8597 -8.8597 -7.8581 -7.8581 -7.8164 -7.8164 -7.8139 -7.8139 5.4581 5.4581 8.9972 8.9972 9.1823 9.1823 9.9119 9.9119 10.0453 10.0453 10.4819 10.4819 10.5749 10.5749 11.6183 11.6183 11.6477 11.6477 11.7559 11.7559 11.9880 11.9880 12.3660 12.3660 12.4201 12.4201 12.6555 12.6555 12.6663 12.6663 12.7854 12.7854 13.3990 13.3990 13.4737 13.4737 k = 0.3966 0.5000 0.3966 ( 2238 PWs) bands (ev): -8.8607 -8.8607 -8.8595 -8.8595 -7.8576 -7.8576 -7.8169 -7.8169 -7.8139 -7.8139 5.4402 5.4402 8.9178 8.9178 9.1265 9.1265 9.9129 9.9129 10.0731 10.0731 10.5150 10.5150 10.6184 10.6184 11.6150 11.6150 11.6457 11.6457 11.7686 11.7686 11.9348 11.9348 12.3742 12.3742 12.4291 12.4291 12.6632 12.6632 12.6717 12.6717 12.8052 12.8052 13.3977 13.3977 13.4922 13.4922 k = 0.3879 0.5000 0.3879 ( 2232 PWs) bands (ev): -8.8608 -8.8608 -8.8594 -8.8594 -7.8571 -7.8571 -7.8174 -7.8174 -7.8140 -7.8140 5.4202 5.4202 8.8374 8.8374 9.0756 9.0756 9.9141 9.9141 10.1029 10.1029 10.5441 10.5441 10.6607 10.6607 11.6112 11.6112 11.6426 11.6426 11.7829 11.7829 11.8808 11.8808 12.3831 12.3831 12.4366 12.4366 12.6719 12.6719 12.6771 12.6771 12.8228 12.8228 13.3959 13.3959 13.5167 13.5167 k = 0.3793 0.5000 0.3793 ( 2226 PWs) bands (ev): -8.8608 -8.8608 -8.8592 -8.8592 -7.8565 -7.8565 -7.8180 -7.8180 -7.8140 -7.8140 5.3979 5.3979 8.7562 8.7562 9.0298 9.0298 9.9156 9.9156 10.1348 10.1348 10.5692 10.5692 10.7018 10.7018 11.6070 11.6070 11.6382 11.6382 11.7969 11.7969 11.8288 11.8288 12.3925 12.3925 12.4423 12.4423 12.6807 12.6807 12.6828 12.6828 12.8371 12.8371 13.3937 13.3937 13.5478 13.5478 k = 0.3707 0.5000 0.3707 ( 2226 PWs) bands (ev): -8.8609 -8.8609 -8.8591 -8.8591 -7.8558 -7.8558 -7.8186 -7.8186 -7.8141 -7.8141 5.3734 5.3734 8.6745 8.6745 8.9894 8.9894 9.9174 9.9174 10.1686 10.1686 10.5904 10.5904 10.7419 10.7419 11.6021 11.6021 11.6322 11.6322 11.7687 11.7687 11.8208 11.8208 12.4025 12.4025 12.4464 12.4464 12.6858 12.6858 12.6923 12.6923 12.8473 12.8473 13.3910 13.3910 13.5855 13.5855 k = 0.3621 0.5000 0.3621 ( 2222 PWs) bands (ev): -8.8610 -8.8610 -8.8589 -8.8589 -7.8552 -7.8552 -7.8192 -7.8192 -7.8141 -7.8141 5.3466 5.3466 8.5924 8.5924 8.9545 8.9545 9.9196 9.9196 10.2041 10.2041 10.6079 10.6079 10.7811 10.7811 11.5967 11.5967 11.6236 11.6236 11.7181 11.7181 11.8392 11.8392 12.4130 12.4130 12.4489 12.4489 12.6894 12.6894 12.7030 12.7030 12.8532 12.8532 13.3879 13.3879 13.6289 13.6289 k = 0.3534 0.5000 0.3534 ( 2214 PWs) bands (ev): -8.8611 -8.8611 -8.8588 -8.8588 -7.8545 -7.8545 -7.8199 -7.8199 -7.8142 -7.8142 5.3174 5.3174 8.5102 8.5102 8.9253 8.9253 9.9222 9.9222 10.2414 10.2414 10.6220 10.6220 10.8195 10.8195 11.5900 11.5900 11.6090 11.6090 11.6732 11.6732 11.8600 11.8600 12.4240 12.4240 12.4501 12.4501 12.6923 12.6923 12.7138 12.7138 12.8546 12.8546 13.3846 13.3846 13.6742 13.6742 k = 0.3448 0.5000 0.3448 ( 2214 PWs) bands (ev): -8.8612 -8.8612 -8.8586 -8.8586 -7.8538 -7.8538 -7.8205 -7.8205 -7.8143 -7.8143 5.2860 5.2860 8.4281 8.4281 8.9018 8.9018 9.9252 9.9252 10.2803 10.2803 10.6326 10.6326 10.8571 10.8571 11.5732 11.5732 11.5887 11.5887 11.6436 11.6436 11.8823 11.8823 12.4353 12.4353 12.4503 12.4503 12.6941 12.6941 12.7246 12.7246 12.8516 12.8516 13.3810 13.3810 13.7184 13.7184 k = 0.3362 0.5000 0.3362 ( 2210 PWs) bands (ev): -8.8613 -8.8613 -8.8584 -8.8584 -7.8531 -7.8531 -7.8213 -7.8213 -7.8143 -7.8143 5.2524 5.2524 8.3462 8.3462 8.8839 8.8839 9.9286 9.9286 10.3206 10.3206 10.6400 10.6400 10.8943 10.8943 11.5315 11.5315 11.5793 11.5793 11.6284 11.6284 11.9061 11.9061 12.4446 12.4446 12.4518 12.4518 12.6949 12.6949 12.7351 12.7351 12.8447 12.8447 13.3772 13.3772 13.7634 13.7634 k = 0.3276 0.5000 0.3276 ( 2206 PWs) bands (ev): -8.8614 -8.8614 -8.8583 -8.8583 -7.8524 -7.8524 -7.8220 -7.8220 -7.8144 -7.8144 5.2166 5.2166 8.2648 8.2648 8.8718 8.8718 9.9325 9.9325 10.3623 10.3623 10.6443 10.6443 10.9308 10.9308 11.4838 11.4838 11.5712 11.5712 11.6182 11.6182 11.9313 11.9313 12.4449 12.4449 12.4620 12.4620 12.6947 12.6947 12.7452 12.7452 12.8342 12.8342 13.3733 13.3733 13.8108 13.8108 k = 0.3190 0.5000 0.3190 ( 2206 PWs) bands (ev): -8.8615 -8.8615 -8.8581 -8.8581 -7.8517 -7.8517 -7.8228 -7.8228 -7.8145 -7.8145 5.1789 5.1789 8.1840 8.1840 8.8653 8.8653 9.9369 9.9369 10.4052 10.4052 10.6457 10.6457 10.9670 10.9670 11.4358 11.4358 11.5627 11.5627 11.6099 11.6099 11.9577 11.9577 12.4421 12.4421 12.4747 12.4747 12.6932 12.6932 12.7547 12.7547 12.8207 12.8207 13.3692 13.3692 13.8612 13.8612 k = 0.3103 0.5000 0.3103 ( 2210 PWs) bands (ev): -8.8617 -8.8617 -8.8580 -8.8580 -7.8510 -7.8510 -7.8235 -7.8235 -7.8147 -7.8147 5.1392 5.1392 8.1039 8.1039 8.8643 8.8643 9.9418 9.9418 10.4490 10.4490 10.6443 10.6443 11.0029 11.0029 11.3891 11.3891 11.5534 11.5534 11.6022 11.6022 11.9852 11.9852 12.4383 12.4383 12.4881 12.4881 12.6903 12.6903 12.7635 12.7635 12.8047 12.8047 13.3650 13.3650 13.9148 13.9148 k = 0.3017 0.5000 0.3017 ( 2204 PWs) bands (ev): -8.8618 -8.8618 -8.8578 -8.8578 -7.8502 -7.8502 -7.8243 -7.8243 -7.8148 -7.8148 5.0980 5.0980 8.0247 8.0247 8.8688 8.8688 9.9471 9.9471 10.4938 10.4938 10.6403 10.6403 11.0385 11.0385 11.3442 11.3442 11.5436 11.5436 11.5950 11.5950 12.0139 12.0139 12.4338 12.4338 12.5020 12.5020 12.6861 12.6861 12.7712 12.7712 12.7872 12.7872 13.3607 13.3607 13.9718 13.9718 k = 0.2931 0.5000 0.2931 ( 2208 PWs) bands (ev): -8.8620 -8.8620 -8.8577 -8.8577 -7.8495 -7.8495 -7.8252 -7.8252 -7.8149 -7.8149 5.0552 5.0552 7.9464 7.9464 8.8785 8.8785 9.9529 9.9529 10.5391 10.5391 10.6340 10.6340 11.0738 11.0738 11.3014 11.3014 11.5332 11.5332 11.5882 11.5882 12.0436 12.0436 12.4286 12.4286 12.5164 12.5164 12.6801 12.6801 12.7663 12.7663 12.7800 12.7800 13.3564 13.3564 14.0319 14.0319 k = 0.2845 0.5000 0.2845 ( 2204 PWs) bands (ev): -8.8622 -8.8622 -8.8575 -8.8575 -7.8488 -7.8488 -7.8260 -7.8260 -7.8151 -7.8151 5.0112 5.0112 7.8693 7.8693 8.8932 8.8932 9.9593 9.9593 10.5840 10.5840 10.6263 10.6263 11.1090 11.1090 11.2611 11.2611 11.5222 11.5222 11.5817 11.5817 12.0743 12.0743 12.4230 12.4230 12.5312 12.5312 12.6720 12.6720 12.7469 12.7469 12.7860 12.7860 13.3522 13.3522 14.0953 14.0953 k = 0.2759 0.5000 0.2759 ( 2204 PWs) bands (ev): -8.8624 -8.8624 -8.8574 -8.8574 -7.8480 -7.8480 -7.8269 -7.8269 -7.8152 -7.8152 4.9661 4.9661 7.7934 7.7934 8.9127 8.9127 9.9660 9.9660 10.6079 10.6079 10.6377 10.6377 11.1439 11.1439 11.2235 11.2235 11.5108 11.5108 11.5756 11.5756 12.1056 12.1056 12.4169 12.4169 12.5463 12.5463 12.6610 12.6610 12.7277 12.7277 12.7915 12.7915 13.3480 13.3480 14.1617 14.1617 k = 0.2672 0.5000 0.2672 ( 2196 PWs) bands (ev): -8.8626 -8.8626 -8.8573 -8.8573 -7.8473 -7.8473 -7.8277 -7.8277 -7.8154 -7.8154 4.9201 4.9201 7.7188 7.7188 8.9368 8.9368 9.9733 9.9733 10.5972 10.5972 10.6820 10.6820 11.1753 11.1753 11.1921 11.1921 11.4990 11.4990 11.5698 11.5698 12.1376 12.1376 12.4104 12.4104 12.5618 12.5618 12.6463 12.6463 12.7105 12.7105 12.7962 12.7962 13.3441 13.3441 14.2311 14.2311 k = 0.2586 0.5000 0.2586 ( 2190 PWs) bands (ev): -8.8629 -8.8629 -8.8572 -8.8572 -7.8466 -7.8466 -7.8286 -7.8286 -7.8156 -7.8156 4.8736 4.8736 7.6456 7.6456 8.9652 8.9652 9.9809 9.9809 10.5820 10.5820 10.7289 10.7289 11.1540 11.1540 11.2160 11.2160 11.4870 11.4870 11.5644 11.5644 12.1698 12.1698 12.4036 12.4036 12.5775 12.5775 12.6273 12.6273 12.6960 12.6960 12.8000 12.8000 13.3403 13.3403 14.3033 14.3033 k = 0.2500 0.5000 0.2500 ( 2190 PWs) bands (ev): -8.8631 -8.8631 -8.8570 -8.8570 -7.8459 -7.8459 -7.8295 -7.8295 -7.8158 -7.8158 4.8266 4.8266 7.5740 7.5740 8.9977 8.9977 9.9890 9.9890 10.5647 10.5647 10.7761 10.7761 11.1245 11.1245 11.2506 11.2506 11.4747 11.4747 11.5592 11.5592 12.2022 12.2022 12.3964 12.3964 12.5923 12.5923 12.6048 12.6048 12.6846 12.6846 12.8028 12.8028 13.3368 13.3368 14.3783 14.3783 k = 0.2414 0.5000 0.2414 ( 2190 PWs) bands (ev): -8.8634 -8.8634 -8.8569 -8.8569 -7.8452 -7.8452 -7.8303 -7.8303 -7.8160 -7.8160 4.7795 4.7795 7.5039 7.5039 9.0338 9.0338 9.9975 9.9975 10.5458 10.5458 10.8233 10.8233 11.0972 11.0972 11.2855 11.2855 11.4625 11.4625 11.5545 11.5545 12.2345 12.2345 12.3890 12.3890 12.5781 12.5781 12.6073 12.6073 12.6765 12.6765 12.8047 12.8047 13.3337 13.3337 14.4560 14.4560 k = 0.2328 0.5000 0.2328 ( 2194 PWs) bands (ev): -8.8636 -8.8636 -8.8568 -8.8568 -7.8446 -7.8446 -7.8312 -7.8312 -7.8162 -7.8162 4.7325 4.7325 7.4356 7.4356 9.0735 9.0735 10.0063 10.0063 10.5255 10.5255 10.8702 10.8702 11.0721 11.0721 11.3201 11.3201 11.4504 11.4504 11.5502 11.5502 12.2661 12.2661 12.3815 12.3815 12.5504 12.5504 12.6175 12.6175 12.6734 12.6734 12.8055 12.8055 13.3311 13.3311 14.5362 14.5362 k = 0.2241 0.5000 0.2241 ( 2202 PWs) bands (ev): -8.8639 -8.8639 -8.8567 -8.8567 -7.8439 -7.8439 -7.8320 -7.8320 -7.8164 -7.8164 4.6856 4.6856 7.3690 7.3690 9.1162 9.1162 10.0155 10.0155 10.5041 10.5041 10.9168 10.9168 11.0493 11.0493 11.3540 11.3540 11.4392 11.4392 11.5463 11.5463 12.2967 12.2967 12.3740 12.3740 12.5212 12.5212 12.6206 12.6206 12.6786 12.6786 12.8053 12.8053 13.3290 13.3290 14.6188 14.6188 k = 0.2155 0.5000 0.2155 ( 2194 PWs) bands (ev): -8.8642 -8.8642 -8.8567 -8.8567 -7.8433 -7.8433 -7.8329 -7.8329 -7.8166 -7.8166 4.6392 4.6392 7.3044 7.3044 9.1619 9.1619 10.0250 10.0250 10.4820 10.4820 10.9629 10.9629 11.0287 11.0287 11.3846 11.3846 11.4314 11.4314 11.5430 11.5430 12.3249 12.3249 12.3675 12.3675 12.4912 12.4912 12.6168 12.6168 12.6918 12.6918 12.8043 12.8043 13.3278 13.3278 14.7038 14.7038 k = 0.2069 0.5000 0.2069 ( 2198 PWs) bands (ev): -8.8646 -8.8646 -8.8566 -8.8566 -7.8428 -7.8428 -7.8337 -7.8337 -7.8169 -7.8169 4.5934 4.5934 7.2416 7.2416 9.2099 9.2099 10.0346 10.0346 10.4593 10.4593 11.0061 11.0061 11.0121 11.0121 11.3985 11.3985 11.4405 11.4405 11.5402 11.5402 12.3435 12.3435 12.3688 12.3688 12.4607 12.4607 12.6091 12.6091 12.7095 12.7095 12.8026 12.8026 13.3273 13.3273 14.7907 14.7907 k = 0.1983 0.5000 0.1983 ( 2206 PWs) bands (ev): -8.8649 -8.8649 -8.8565 -8.8565 -7.8423 -7.8423 -7.8345 -7.8345 -7.8171 -7.8171 4.5484 4.5484 7.1809 7.1809 9.2601 9.2601 10.0445 10.0445 10.4363 10.4363 10.9925 10.9925 11.0531 11.0531 11.3926 11.3926 11.4697 11.4697 11.5380 11.5380 12.3417 12.3417 12.3882 12.3882 12.4300 12.4300 12.5994 12.5994 12.7293 12.7293 12.8002 12.8002 13.3278 13.3278 14.8796 14.8796 k = 0.1897 0.5000 0.1897 ( 2206 PWs) bands (ev): -8.8652 -8.8652 -8.8564 -8.8564 -7.8418 -7.8418 -7.8352 -7.8352 -7.8173 -7.8173 4.5044 4.5044 7.1223 7.1223 9.3122 9.3122 10.0546 10.0546 10.4133 10.4133 10.9770 10.9770 11.0967 11.0967 11.3825 11.3825 11.5034 11.5034 11.5364 11.5364 12.3334 12.3334 12.3992 12.3992 12.4118 12.4118 12.5891 12.5891 12.7492 12.7492 12.7984 12.7984 13.3296 13.3296 14.9704 14.9704 k = 0.1810 0.5000 0.1810 ( 2206 PWs) bands (ev): -8.8655 -8.8655 -8.8564 -8.8564 -7.8415 -7.8415 -7.8358 -7.8358 -7.8176 -7.8176 4.4614 4.4614 7.0658 7.0658 9.3657 9.3657 10.0647 10.0647 10.3904 10.3904 10.9629 10.9629 11.1394 11.1394 11.3716 11.3716 11.5348 11.5348 11.5388 11.5388 12.3227 12.3227 12.3704 12.3704 12.4335 12.4335 12.5783 12.5783 12.7647 12.7647 12.8010 12.8010 13.3327 13.3327 15.0626 15.0626 k = 0.1724 0.5000 0.1724 ( 2216 PWs) bands (ev): -8.8659 -8.8659 -8.8563 -8.8563 -7.8413 -7.8413 -7.8363 -7.8363 -7.8178 -7.8178 4.4197 4.4197 7.0115 7.0115 9.4203 9.4203 10.0749 10.0749 10.3679 10.3679 10.9501 10.9501 11.1808 11.1808 11.3609 11.3609 11.5350 11.5350 11.5731 11.5731 12.3078 12.3078 12.3450 12.3450 12.4531 12.4531 12.5673 12.5673 12.7687 12.7687 12.8145 12.8145 13.3373 13.3373 15.1562 15.1562 k = 0.1638 0.5000 0.1638 ( 2216 PWs) bands (ev): -8.8662 -8.8662 -8.8563 -8.8563 -7.8413 -7.8413 -7.8367 -7.8367 -7.8181 -7.8181 4.3794 4.3794 6.9596 6.9596 9.4757 9.4757 10.0851 10.0851 10.3459 10.3459 10.9384 10.9384 11.2208 11.2208 11.3507 11.3507 11.5355 11.5355 11.6080 11.6080 12.2861 12.2861 12.3266 12.3266 12.4705 12.4705 12.5561 12.5561 12.7643 12.7643 12.8355 12.8355 13.3437 13.3437 15.2508 15.2508 k = 0.1552 0.5000 0.1552 ( 2212 PWs) bands (ev): -8.8666 -8.8666 -8.8562 -8.8562 -7.8414 -7.8414 -7.8368 -7.8368 -7.8183 -7.8183 4.3405 4.3405 6.9099 6.9099 9.5316 9.5316 10.0953 10.0953 10.3246 10.3246 10.9277 10.9277 11.2588 11.2588 11.3417 11.3417 11.5368 11.5368 11.6428 11.6428 12.2589 12.2589 12.3140 12.3140 12.4854 12.4854 12.5451 12.5451 12.7566 12.7566 12.8587 12.8587 13.3519 13.3519 15.3460 15.3460 k = 0.1466 0.5000 0.1466 ( 2200 PWs) bands (ev): -8.8669 -8.8669 -8.8562 -8.8562 -7.8418 -7.8418 -7.8368 -7.8368 -7.8185 -7.8185 4.3032 4.3032 6.8627 6.8627 9.5874 9.5874 10.1054 10.1054 10.3041 10.3041 10.9180 10.9180 11.2926 11.2926 11.3360 11.3360 11.5390 11.5390 11.6773 11.6773 12.2294 12.2294 12.3042 12.3042 12.4978 12.4978 12.5345 12.5345 12.7468 12.7468 12.8818 12.8818 13.3621 13.3621 15.4413 15.4413 k = 0.1379 0.5000 0.1379 ( 2198 PWs) bands (ev): -8.8673 -8.8673 -8.8561 -8.8561 -7.8422 -7.8422 -7.8366 -7.8366 -7.8188 -7.8188 4.2677 4.2677 6.8179 6.8179 9.6429 9.6429 10.1153 10.1153 10.2844 10.2844 10.9091 10.9091 11.3090 11.3090 11.3466 11.3466 11.5421 11.5421 11.7114 11.7114 12.1993 12.1993 12.2957 12.2957 12.5067 12.5067 12.5253 12.5253 12.7354 12.7354 12.9041 12.9041 13.3743 13.3743 15.5353 15.5353 k = 0.1293 0.5000 0.1293 ( 2198 PWs) bands (ev): -8.8676 -8.8676 -8.8561 -8.8561 -7.8428 -7.8428 -7.8364 -7.8364 -7.8190 -7.8190 4.2338 4.2338 6.7755 6.7755 9.6976 9.6976 10.1250 10.1250 10.2657 10.2657 10.9010 10.9010 11.3057 11.3057 11.3758 11.3758 11.5460 11.5460 11.7448 11.7448 12.1691 12.1691 12.2880 12.2880 12.5067 12.5067 12.5232 12.5232 12.7226 12.7226 12.9250 12.9250 13.3883 13.3883 15.6265 15.6265 k = 0.1207 0.5000 0.1207 ( 2198 PWs) bands (ev): -8.8679 -8.8679 -8.8561 -8.8561 -7.8433 -7.8433 -7.8361 -7.8361 -7.8192 -7.8192 4.2019 4.2019 6.7357 6.7357 9.7511 9.7511 10.1345 10.1345 10.2480 10.2480 10.8936 10.8936 11.2988 11.2988 11.4075 11.4075 11.5508 11.5508 11.7774 11.7774 12.1394 12.1394 12.2812 12.2812 12.4984 12.4984 12.5278 12.5278 12.7085 12.7085 12.9443 12.9443 13.4042 13.4042 15.7128 15.7128 k = 0.1121 0.5000 0.1121 ( 2194 PWs) bands (ev): -8.8682 -8.8682 -8.8560 -8.8560 -7.8439 -7.8439 -7.8359 -7.8359 -7.8194 -7.8194 4.1718 4.1718 6.6985 6.6985 9.8031 9.8031 10.1436 10.1436 10.2316 10.2316 10.8870 10.8870 11.2916 11.2916 11.4383 11.4383 11.5566 11.5566 11.8090 11.8090 12.1103 12.1103 12.2754 12.2754 12.4888 12.4888 12.5326 12.5326 12.6932 12.6932 12.9618 12.9618 13.4214 13.4214 15.7924 15.7924 k = 0.1034 0.5000 0.1034 ( 2200 PWs) bands (ev): -8.8686 -8.8686 -8.8560 -8.8560 -7.8445 -7.8445 -7.8356 -7.8356 -7.8196 -7.8196 4.1438 4.1438 6.6639 6.6639 9.8530 9.8530 10.1524 10.1524 10.2163 10.2163 10.8809 10.8809 11.2847 11.2847 11.4673 11.4673 11.5634 11.5634 11.8391 11.8391 12.0821 12.0821 12.2707 12.2707 12.4792 12.4792 12.5362 12.5362 12.6767 12.6767 12.9773 12.9773 13.4398 13.4398 15.8661 15.8661 k = 0.0948 0.5000 0.0948 ( 2188 PWs) bands (ev): -8.8688 -8.8688 -8.8560 -8.8560 -7.8450 -7.8450 -7.8353 -7.8353 -7.8198 -7.8198 4.1178 4.1178 6.6319 6.6319 9.9005 9.9005 10.1606 10.1606 10.2025 10.2025 10.8754 10.8754 11.2783 11.2783 11.4944 11.4944 11.5714 11.5714 11.8672 11.8672 12.0553 12.0553 12.2676 12.2676 12.4701 12.4701 12.5387 12.5387 12.6591 12.6591 12.9911 12.9911 13.4591 13.4591 15.9368 15.9368 k = 0.0862 0.5000 0.0862 ( 2188 PWs) bands (ev): -8.8691 -8.8691 -8.8560 -8.8560 -7.8455 -7.8455 -7.8351 -7.8351 -7.8200 -7.8200 4.0939 4.0939 6.6026 6.6026 9.9450 9.9450 10.1675 10.1675 10.1910 10.1910 10.8706 10.8706 11.2724 11.2724 11.5192 11.5192 11.5807 11.5807 11.8921 11.8921 12.0306 12.0306 12.2662 12.2662 12.4614 12.4614 12.5401 12.5401 12.6403 12.6403 13.0030 13.0030 13.4784 13.4784 16.0072 16.0072 k = 0.0776 0.5000 0.0776 ( 2192 PWs) bands (ev): -8.8694 -8.8694 -8.8560 -8.8560 -7.8460 -7.8460 -7.8349 -7.8349 -7.8202 -7.8202 4.0721 4.0721 6.5760 6.5760 9.9861 9.9861 10.1690 10.1690 10.1858 10.1858 10.8662 10.8662 11.2671 11.2671 11.5413 11.5413 11.5914 11.5914 11.9116 11.9116 12.0100 12.0100 12.2669 12.2669 12.4532 12.4532 12.5406 12.5406 12.6204 12.6204 13.0133 13.0133 13.4972 13.4972 16.0787 16.0787 k = 0.0690 0.5000 0.0690 ( 2188 PWs) bands (ev): -8.8696 -8.8696 -8.8559 -8.8559 -7.8464 -7.8464 -7.8347 -7.8347 -7.8203 -7.8203 4.0525 4.0525 6.5521 6.5521 10.0232 10.0232 10.1625 10.1625 10.1901 10.1901 10.8624 10.8624 11.2624 11.2624 11.5606 11.5606 11.6035 11.6035 11.9213 11.9213 11.9978 11.9978 12.2703 12.2703 12.4457 12.4457 12.5404 12.5404 12.5997 12.5997 13.0223 13.0223 13.5155 13.5155 16.1516 16.1516 k = 0.0603 0.5000 0.0603 ( 2188 PWs) bands (ev): -8.8698 -8.8698 -8.8559 -8.8559 -7.8468 -7.8468 -7.8345 -7.8345 -7.8204 -7.8204 4.0352 4.0352 6.5310 6.5310 10.0557 10.0557 10.1545 10.1545 10.1973 10.1973 10.8591 10.8591 11.2582 11.2582 11.5770 11.5770 11.6168 11.6168 11.9167 11.9167 11.9981 11.9981 12.2765 12.2765 12.4388 12.4388 12.5395 12.5395 12.5782 12.5782 13.0298 13.0298 13.5326 13.5326 16.2258 16.2258 k = 0.0517 0.5000 0.0517 ( 2196 PWs) bands (ev): -8.8700 -8.8700 -8.8559 -8.8559 -7.8472 -7.8472 -7.8343 -7.8343 -7.8206 -7.8206 4.0201 4.0201 6.5127 6.5127 10.0828 10.0828 10.1477 10.1477 10.2053 10.2053 10.8562 10.8562 11.2545 11.2545 11.5912 11.5912 11.6303 11.6303 11.9024 11.9024 12.0063 12.0063 12.2859 12.2859 12.4326 12.4326 12.5376 12.5376 12.5565 12.5565 13.0358 13.0358 13.5482 13.5482 16.3003 16.3003 k = 0.0431 0.5000 0.0431 ( 2204 PWs) bands (ev): -8.8701 -8.8701 -8.8559 -8.8559 -7.8475 -7.8475 -7.8342 -7.8342 -7.8207 -7.8207 4.0073 4.0073 6.4971 6.4971 10.1033 10.1033 10.1434 10.1434 10.2136 10.2136 10.8536 10.8536 11.2514 11.2514 11.6035 11.6035 11.6435 11.6435 11.8849 11.8849 12.0161 12.0161 12.2985 12.2985 12.4272 12.4272 12.5288 12.5288 12.5411 12.5411 13.0409 13.0409 13.5620 13.5620 16.3732 16.3732 k = 0.0345 0.5000 0.0345 ( 2204 PWs) bands (ev): -8.8703 -8.8703 -8.8559 -8.8559 -7.8477 -7.8477 -7.8341 -7.8341 -7.8207 -7.8207 3.9968 3.9968 6.4844 6.4844 10.1152 10.1152 10.1436 10.1436 10.2220 10.2220 10.8517 10.8517 11.2489 11.2489 11.6141 11.6141 11.6555 11.6555 11.8678 11.8678 12.0245 12.0245 12.3140 12.3140 12.4223 12.4223 12.5077 12.5077 12.5379 12.5379 13.0450 13.0450 13.5736 13.5736 16.4418 16.4418 k = 0.0259 0.5000 0.0259 ( 2204 PWs) bands (ev): -8.8704 -8.8704 -8.8559 -8.8559 -7.8479 -7.8479 -7.8340 -7.8340 -7.8208 -7.8208 3.9886 3.9886 6.4745 6.4745 10.1183 10.1183 10.1489 10.1489 10.2298 10.2298 10.8502 10.8502 11.2470 11.2470 11.6231 11.6231 11.6658 11.6658 11.8525 11.8525 12.0311 12.0311 12.3320 12.3320 12.4179 12.4179 12.4854 12.4854 12.5365 12.5365 13.0481 13.0481 13.5828 13.5828 16.5024 16.5024 k = 0.0172 0.5000 0.0172 ( 2192 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8480 -7.8480 -7.8339 -7.8339 -7.8208 -7.8208 3.9827 3.9827 6.4674 6.4674 10.1180 10.1180 10.1547 10.1547 10.2363 10.2363 10.8491 10.8491 11.2457 11.2457 11.6300 11.6300 11.6739 11.6739 11.8402 11.8402 12.0357 12.0357 12.3518 12.3518 12.4129 12.4129 12.4646 12.4646 12.5357 12.5357 13.0503 13.0503 13.5897 13.5897 16.5503 16.5503 k = 0.0086 0.5000 0.0086 ( 2184 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9792 3.9792 6.4631 6.4631 10.1172 10.1172 10.1586 10.1586 10.2405 10.2405 10.8485 10.8485 11.2450 11.2450 11.6344 11.6344 11.6792 11.6792 11.8321 11.8321 12.0383 12.0383 12.3721 12.3721 12.4050 12.4050 12.4487 12.4487 12.5352 12.5352 13.0516 13.0516 13.5939 13.5939 16.5810 16.5810 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -8.8705 -8.8705 -8.8559 -8.8559 -7.8481 -7.8481 -7.8339 -7.8339 -7.8209 -7.8209 3.9780 3.9780 6.4617 6.4617 10.1171 10.1171 10.1599 10.1599 10.2421 10.2421 10.8482 10.8482 11.2448 11.2448 11.6360 11.6360 11.6811 11.6811 11.8293 11.8293 12.0393 12.0393 12.3904 12.3904 12.3915 12.3915 12.4427 12.4427 12.5351 12.5351 13.0520 13.0520 13.5955 13.5955 16.5917 16.5917 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8061 -7.8061 5.1942 5.1942 7.7899 7.7899 7.9254 7.9254 10.0591 10.0591 10.2256 10.2256 11.0188 11.0188 11.1627 11.1627 11.1642 11.1642 11.7380 11.7380 11.7871 11.7871 12.2636 12.2636 12.2742 12.2742 12.2835 12.2835 12.3890 12.3890 12.6293 12.6293 12.7382 12.7382 12.8301 12.8301 14.0957 14.0957 k = 0.5000 0.5000 0.0122 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8546 -8.8546 -7.8449 -7.8449 -7.8341 -7.8341 -7.8062 -7.8062 5.1946 5.1946 7.7915 7.7915 7.9269 7.9269 10.0590 10.0590 10.2249 10.2249 11.0202 11.0202 11.1621 11.1621 11.1637 11.1637 11.7372 11.7372 11.7862 11.7862 12.2630 12.2630 12.2739 12.2739 12.2846 12.2846 12.3897 12.3897 12.6293 12.6293 12.7403 12.7403 12.8301 12.8301 14.0948 14.0948 k = 0.5000 0.5000 0.0244 ( 2192 PWs) bands (ev): -8.8629 -8.8629 -8.8547 -8.8547 -7.8450 -7.8450 -7.8340 -7.8340 -7.8062 -7.8062 5.1959 5.1959 7.7960 7.7960 7.9315 7.9315 10.0587 10.0587 10.2230 10.2230 11.0245 11.0245 11.1603 11.1603 11.1621 11.1621 11.7348 11.7348 11.7838 11.7838 12.2589 12.2589 12.2752 12.2752 12.2880 12.2880 12.3916 12.3916 12.6293 12.6293 12.7466 12.7466 12.8300 12.8300 14.0923 14.0923 k = 0.5000 0.5000 0.0366 ( 2192 PWs) bands (ev): -8.8628 -8.8628 -8.8547 -8.8547 -7.8451 -7.8451 -7.8339 -7.8339 -7.8063 -7.8063 5.1981 5.1981 7.8035 7.8035 7.9390 7.9390 10.0582 10.0582 10.2198 10.2198 11.0314 11.0314 11.1572 11.1572 11.1595 11.1595 11.7310 11.7310 11.7798 11.7798 12.2498 12.2498 12.2800 12.2800 12.2934 12.2934 12.3948 12.3948 12.6293 12.6293 12.7565 12.7565 12.8300 12.8300 14.0880 14.0880 k = 0.5000 0.5000 0.0488 ( 2192 PWs) bands (ev): -8.8628 -8.8628 -8.8548 -8.8548 -7.8452 -7.8452 -7.8337 -7.8337 -7.8064 -7.8064 5.2011 5.2011 7.8140 7.8140 7.9496 7.9496 10.0574 10.0574 10.2154 10.2154 11.0411 11.0411 11.1529 11.1529 11.1559 11.1559 11.7259 11.7259 11.7746 11.7746 12.2367 12.2367 12.2875 12.2875 12.3008 12.3008 12.3993 12.3993 12.6294 12.6294 12.7694 12.7694 12.8304 12.8304 14.0821 14.0821 k = 0.5000 0.5000 0.0610 ( 2192 PWs) bands (ev): -8.8628 -8.8628 -8.8548 -8.8548 -7.8454 -7.8454 -7.8334 -7.8334 -7.8065 -7.8065 5.2050 5.2050 7.8275 7.8275 7.9631 7.9631 10.0565 10.0565 10.2098 10.2098 11.0535 11.0535 11.1472 11.1472 11.1511 11.1511 11.7197 11.7197 11.7683 11.7683 12.2208 12.2208 12.2970 12.2970 12.3099 12.3099 12.4049 12.4049 12.6294 12.6294 12.7837 12.7837 12.8319 12.8319 14.0744 14.0744 k = 0.5000 0.5000 0.0732 ( 2200 PWs) bands (ev): -8.8627 -8.8627 -8.8549 -8.8549 -7.8456 -7.8456 -7.8331 -7.8331 -7.8066 -7.8066 5.2097 5.2097 7.8440 7.8440 7.9796 7.9796 10.0554 10.0554 10.2031 10.2031 11.0684 11.0684 11.1403 11.1403 11.1452 11.1452 11.7127 11.7127 11.7611 11.7611 12.2023 12.2023 12.3079 12.3079 12.3204 12.3204 12.4116 12.4116 12.6294 12.6294 12.7972 12.7972 12.8365 12.8365 14.0650 14.0650 k = 0.5000 0.5000 0.0854 ( 2192 PWs) bands (ev): -8.8627 -8.8627 -8.8550 -8.8550 -7.8459 -7.8459 -7.8328 -7.8328 -7.8068 -7.8068 5.2152 5.2152 7.8635 7.8635 7.9991 7.9991 10.0541 10.0541 10.1955 10.1955 11.0859 11.0859 11.1320 11.1320 11.1384 11.1384 11.7052 11.7052 11.7535 11.7535 12.1824 12.1824 12.3203 12.3203 12.3322 12.3322 12.4195 12.4195 12.6294 12.6294 12.8059 12.8059 12.8474 12.8474 14.0539 14.0539 k = 0.5000 0.5000 0.0976 ( 2200 PWs) bands (ev): -8.8626 -8.8626 -8.8552 -8.8552 -7.8462 -7.8462 -7.8324 -7.8324 -7.8070 -7.8070 5.2215 5.2215 7.8858 7.8858 8.0215 8.0215 10.0526 10.0526 10.1869 10.1869 11.1051 11.1051 11.1223 11.1223 11.1309 11.1309 11.6974 11.6974 11.7456 11.7456 12.1611 12.1611 12.3335 12.3335 12.3450 12.3450 12.4281 12.4281 12.6294 12.6294 12.8091 12.8091 12.8649 12.8649 14.0410 14.0410 k = 0.5000 0.5000 0.1098 ( 2200 PWs) bands (ev): -8.8625 -8.8625 -8.8553 -8.8553 -7.8465 -7.8465 -7.8319 -7.8319 -7.8072 -7.8072 5.2286 5.2286 7.9111 7.9111 8.0468 8.0468 10.0507 10.0507 10.1775 10.1775 11.1112 11.1112 11.1158 11.1158 11.1331 11.1331 11.6894 11.6894 11.7377 11.7377 12.1389 12.1389 12.3474 12.3474 12.3584 12.3584 12.4378 12.4378 12.6295 12.6295 12.8092 12.8092 12.8863 12.8863 14.0264 14.0264 k = 0.5000 0.5000 0.1220 ( 2200 PWs) bands (ev): -8.8624 -8.8624 -8.8554 -8.8554 -7.8469 -7.8469 -7.8314 -7.8314 -7.8075 -7.8075 5.2365 5.2365 7.9392 7.9392 8.0750 8.0750 10.0487 10.0487 10.1674 10.1674 11.0988 11.0988 11.1074 11.1074 11.1558 11.1558 11.6816 11.6816 11.7299 11.7299 12.1161 12.1161 12.3616 12.3616 12.3722 12.3722 12.4482 12.4482 12.6295 12.6295 12.8077 12.8077 12.9095 12.9095 14.0100 14.0100 k = 0.5000 0.5000 0.1341 ( 2200 PWs) bands (ev): -8.8624 -8.8624 -8.8556 -8.8556 -7.8473 -7.8473 -7.8309 -7.8309 -7.8077 -7.8077 5.2450 5.2450 7.9702 7.9702 8.1061 8.1061 10.0464 10.0464 10.1567 10.1567 11.0849 11.0849 11.0955 11.0955 11.1826 11.1826 11.6741 11.6741 11.7224 11.7224 12.0929 12.0929 12.3760 12.3760 12.3863 12.3863 12.4594 12.4594 12.6295 12.6295 12.8054 12.8054 12.9340 12.9340 13.9920 13.9920 k = 0.5000 0.5000 0.1463 ( 2200 PWs) bands (ev): -8.8623 -8.8623 -8.8558 -8.8558 -7.8478 -7.8478 -7.8303 -7.8303 -7.8080 -7.8080 5.2543 5.2543 8.0040 8.0040 8.1399 8.1399 10.0437 10.0437 10.1455 10.1455 11.0695 11.0695 11.0819 11.0819 11.2119 11.2119 11.6669 11.6669 11.7153 11.7153 12.0696 12.0696 12.3902 12.3902 12.4005 12.4005 12.4711 12.4711 12.6296 12.6296 12.8025 12.8025 12.9590 12.9590 13.9722 13.9722 k = 0.5000 0.5000 0.1585 ( 2196 PWs) bands (ev): -8.8622 -8.8622 -8.8560 -8.8560 -7.8483 -7.8483 -7.8297 -7.8297 -7.8082 -7.8082 5.2642 5.2642 8.0405 8.0405 8.1765 8.1765 10.0408 10.0408 10.1338 10.1338 11.0526 11.0526 11.0670 11.0670 11.2435 11.2435 11.6604 11.6604 11.7087 11.7087 12.0463 12.0463 12.4042 12.4042 12.4144 12.4144 12.4832 12.4832 12.6297 12.6297 12.7991 12.7991 12.9844 12.9844 13.9509 13.9509 k = 0.5000 0.5000 0.1707 ( 2196 PWs) bands (ev): -8.8621 -8.8621 -8.8562 -8.8562 -7.8488 -7.8488 -7.8291 -7.8291 -7.8085 -7.8085 5.2747 5.2747 8.0798 8.0798 8.2159 8.2159 10.0376 10.0376 10.1217 10.1217 11.0343 11.0343 11.0505 11.0505 11.2770 11.2770 11.6544 11.6544 11.7027 11.7027 12.0231 12.0231 12.4175 12.4175 12.4279 12.4279 12.4956 12.4956 12.6297 12.6297 12.7951 12.7951 13.0098 13.0098 13.9279 13.9280 k = 0.5000 0.5000 0.1829 ( 2212 PWs) bands (ev): -8.8620 -8.8620 -8.8564 -8.8564 -7.8493 -7.8493 -7.8284 -7.8284 -7.8088 -7.8088 5.2857 5.2857 8.1217 8.1217 8.2578 8.2578 10.0341 10.0341 10.1094 10.1094 11.0144 11.0144 11.0326 11.0326 11.3125 11.3125 11.6490 11.6490 11.6972 11.6972 12.0001 12.0001 12.4301 12.4301 12.4408 12.4408 12.5082 12.5082 12.6296 12.6296 12.7906 12.7906 13.0350 13.0350 13.9033 13.9033 k = 0.5000 0.5000 0.1951 ( 2212 PWs) bands (ev): -8.8619 -8.8619 -8.8566 -8.8566 -7.8499 -7.8499 -7.8277 -7.8277 -7.8091 -7.8091 5.2972 5.2972 8.1662 8.1662 8.3024 8.3024 10.0302 10.0302 10.0970 10.0970 10.9931 10.9931 11.0134 11.0134 11.3497 11.3497 11.6444 11.6444 11.6924 11.6924 11.9775 11.9775 12.4418 12.4418 12.4529 12.4529 12.5209 12.5209 12.6297 12.6297 12.7858 12.7858 13.0601 13.0601 13.8774 13.8774 k = 0.5000 0.5000 0.2073 ( 2212 PWs) bands (ev): -8.8618 -8.8618 -8.8568 -8.8568 -7.8504 -7.8504 -7.8269 -7.8269 -7.8094 -7.8094 5.3092 5.3092 8.2133 8.2133 8.3495 8.3495 10.0261 10.0261 10.0844 10.0844 10.9703 10.9703 10.9927 10.9927 11.3887 11.3887 11.6406 11.6406 11.6882 11.6882 11.9554 11.9554 12.4523 12.4523 12.4640 12.4640 12.5336 12.5336 12.6299 12.6299 12.7805 12.7805 13.0849 13.0849 13.8503 13.8503 k = 0.5000 0.5000 0.2195 ( 2208 PWs) bands (ev): -8.8617 -8.8617 -8.8570 -8.8570 -7.8510 -7.8510 -7.8262 -7.8262 -7.8097 -7.8097 5.3216 5.3216 8.2628 8.2628 8.3991 8.3991 10.0217 10.0217 10.0718 10.0718 10.9461 10.9461 10.9707 10.9707 11.4292 11.4292 11.6376 11.6376 11.6846 11.6846 11.9339 11.9339 12.4615 12.4615 12.4738 12.4738 12.5461 12.5461 12.6301 12.6301 12.7749 12.7749 13.1093 13.1093 13.8221 13.8221 k = 0.5000 0.5000 0.2317 ( 2208 PWs) bands (ev): -8.8616 -8.8616 -8.8572 -8.8572 -7.8517 -7.8517 -7.8254 -7.8254 -7.8100 -7.8100 5.3343 5.3343 8.3147 8.3147 8.4511 8.4511 10.0169 10.0169 10.0593 10.0593 10.9204 10.9204 10.9472 10.9472 11.4709 11.4709 11.6354 11.6354 11.6814 11.6814 11.9129 11.9129 12.4692 12.4692 12.4822 12.4822 12.5584 12.5584 12.6304 12.6304 12.7688 12.7688 13.1332 13.1332 13.7931 13.7931 k = 0.5000 0.5000 0.2439 ( 2224 PWs) bands (ev): -8.8615 -8.8615 -8.8574 -8.8574 -7.8523 -7.8523 -7.8247 -7.8247 -7.8103 -7.8103 5.3473 5.3473 8.3689 8.3689 8.5054 8.5054 10.0117 10.0117 10.0467 10.0467 10.8932 10.8932 10.9222 10.9222 11.5134 11.5134 11.6342 11.6342 11.6787 11.6787 11.8927 11.8927 12.4751 12.4751 12.4888 12.4888 12.5703 12.5703 12.6307 12.6307 12.7621 12.7621 13.1563 13.1563 13.7635 13.7635 k = 0.5000 0.5000 0.2561 ( 2212 PWs) bands (ev): -8.8614 -8.8614 -8.8577 -8.8577 -7.8529 -7.8529 -7.8239 -7.8239 -7.8106 -7.8106 5.3605 5.3605 8.4254 8.4254 8.5620 8.5620 10.0064 10.0064 10.0345 10.0345 10.8644 10.8644 10.8959 10.8959 11.5558 11.5558 11.6352 11.6352 11.6765 11.6765 11.8732 11.8732 12.4793 12.4793 12.4936 12.4936 12.5817 12.5817 12.6315 12.6315 12.7553 12.7553 13.1790 13.1790 13.7336 13.7336 k = 0.5000 0.5000 0.2683 ( 2204 PWs) bands (ev): -8.8613 -8.8613 -8.8579 -8.8579 -7.8535 -7.8535 -7.8231 -7.8231 -7.8108 -7.8108 5.3738 5.3738 8.4840 8.4840 8.6206 8.6206 10.0007 10.0007 10.0224 10.0224 10.8342 10.8342 10.8681 10.8681 11.5936 11.5936 11.6423 11.6423 11.6747 11.6747 11.8547 11.8547 12.4816 12.4816 12.4964 12.4964 12.5923 12.5923 12.6326 12.6326 12.7481 12.7481 13.2009 13.2009 13.7038 13.7038 k = 0.5000 0.5000 0.2805 ( 2204 PWs) bands (ev): -8.8613 -8.8613 -8.8581 -8.8581 -7.8542 -7.8542 -7.8223 -7.8223 -7.8111 -7.8111 5.3872 5.3872 8.5447 8.5447 8.6813 8.6813 9.9948 9.9948 10.0107 10.0107 10.8022 10.8022 10.8386 10.8386 11.6140 11.6140 11.6681 11.6681 11.6730 11.6730 11.8370 11.8370 12.4818 12.4818 12.4970 12.4970 12.6017 12.6017 12.6343 12.6343 12.7405 12.7405 13.2219 13.2219 13.6742 13.6742 k = 0.5000 0.5000 0.2927 ( 2220 PWs) bands (ev): -8.8612 -8.8612 -8.8583 -8.8583 -7.8548 -7.8548 -7.8216 -7.8216 -7.8114 -7.8114 5.4005 5.4005 8.6072 8.6072 8.7439 8.7439 9.9887 9.9887 9.9993 9.9993 10.7684 10.7684 10.8075 10.8075 11.6195 11.6195 11.6714 11.6714 11.7097 11.7097 11.8201 11.8201 12.4799 12.4799 12.4953 12.4953 12.6092 12.6092 12.6369 12.6369 12.7326 12.7326 13.2419 13.2419 13.6452 13.6452 k = 0.5000 0.5000 0.3049 ( 2220 PWs) bands (ev): -8.8611 -8.8611 -8.8586 -8.8586 -7.8554 -7.8554 -7.8208 -7.8208 -7.8116 -7.8116 5.4137 5.4137 8.6716 8.6716 8.8084 8.8084 9.9824 9.9824 9.9883 9.9883 10.7330 10.7330 10.7747 10.7747 11.6215 11.6215 11.6700 11.6700 11.7558 11.7558 11.8044 11.8044 12.4758 12.4758 12.4914 12.4914 12.6147 12.6147 12.6411 12.6411 12.7245 12.7245 13.2612 13.2612 13.6173 13.6173 k = 0.5000 0.5000 0.3171 ( 2220 PWs) bands (ev): -8.8610 -8.8610 -8.8588 -8.8588 -7.8560 -7.8560 -7.8201 -7.8201 -7.8119 -7.8119 5.4267 5.4267 8.7376 8.7376 8.8745 8.8745 9.9760 9.9760 9.9777 9.9777 10.6957 10.6957 10.7402 10.7402 11.6226 11.6226 11.6685 11.6685 11.7898 11.7898 11.8033 11.8033 12.4697 12.4697 12.4851 12.4851 12.6183 12.6183 12.6464 12.6464 12.7161 12.7161 13.2794 13.2794 13.5907 13.5907 k = 0.5000 0.5000 0.3293 ( 2228 PWs) bands (ev): -8.8610 -8.8610 -8.8590 -8.8590 -7.8566 -7.8566 -7.8193 -7.8193 -7.8121 -7.8121 5.4394 5.4394 8.8052 8.8052 8.9421 8.9421 9.9676 9.9676 9.9695 9.9695 10.6565 10.6565 10.7038 10.7038 11.6235 11.6235 11.6669 11.6669 11.7764 11.7764 11.8512 11.8512 12.4616 12.4616 12.4767 12.4767 12.6204 12.6204 12.6521 12.6521 12.7077 12.7077 13.2966 13.2966 13.5656 13.5656 k = 0.5000 0.5000 0.3415 ( 2228 PWs) bands (ev): -8.8609 -8.8609 -8.8592 -8.8592 -7.8571 -7.8571 -7.8186 -7.8186 -7.8123 -7.8123 5.4517 5.4517 8.8741 8.8741 9.0111 9.0111 9.9580 9.9580 9.9631 9.9631 10.6153 10.6153 10.6654 10.6654 11.6243 11.6243 11.6651 11.6651 11.7643 11.7643 11.8992 11.8992 12.4517 12.4517 12.4662 12.4662 12.6217 12.6217 12.6575 12.6575 12.6991 12.6991 13.3127 13.3127 13.5423 13.5423 k = 0.5000 0.5000 0.3537 ( 2228 PWs) bands (ev): -8.8608 -8.8608 -8.8594 -8.8594 -7.8577 -7.8577 -7.8180 -7.8180 -7.8125 -7.8125 5.4636 5.4636 8.9442 8.9442 9.0814 9.0814 9.9490 9.9490 9.9566 9.9566 10.5722 10.5722 10.6250 10.6250 11.6250 11.6250 11.6629 11.6629 11.7536 11.7536 11.9468 11.9468 12.4403 12.4403 12.4541 12.4541 12.6227 12.6227 12.6622 12.6622 12.6907 12.6907 13.3278 13.3278 13.5212 13.5212 k = 0.5000 0.5000 0.3659 ( 2228 PWs) bands (ev): -8.8608 -8.8608 -8.8595 -8.8595 -7.8582 -7.8582 -7.8174 -7.8174 -7.8127 -7.8127 5.4749 5.4749 9.0153 9.0153 9.1527 9.1527 9.9406 9.9406 9.9503 9.9503 10.5269 10.5269 10.5824 10.5824 11.6258 11.6258 11.6603 11.6603 11.7442 11.7442 11.9936 11.9936 12.4277 12.4277 12.4405 12.4405 12.6234 12.6234 12.6658 12.6658 12.6823 12.6823 13.3415 13.3415 13.5021 13.5021 k = 0.5000 0.5000 0.3780 ( 2224 PWs) bands (ev): -8.8607 -8.8607 -8.8597 -8.8597 -7.8587 -7.8587 -7.8168 -7.8168 -7.8129 -7.8129 5.4856 5.4856 9.0872 9.0872 9.2248 9.2248 9.9329 9.9329 9.9441 9.9441 10.4796 10.4796 10.5376 10.5376 11.6267 11.6267 11.6574 11.6574 11.7363 11.7363 12.0394 12.0394 12.4141 12.4141 12.4259 12.4259 12.6239 12.6239 12.6683 12.6683 12.6742 12.6742 13.3539 13.3539 13.4854 13.4854 k = 0.5000 0.5000 0.3902 ( 2240 PWs) bands (ev): -8.8607 -8.8607 -8.8598 -8.8598 -7.8591 -7.8591 -7.8162 -7.8162 -7.8131 -7.8131 5.4956 5.4956 9.1596 9.1596 9.2976 9.2976 9.9258 9.9258 9.9382 9.9382 10.4302 10.4302 10.4904 10.4904 11.6274 11.6274 11.6541 11.6541 11.7298 11.7298 12.0835 12.0835 12.4000 12.4000 12.4106 12.4106 12.6243 12.6243 12.6661 12.6661 12.6695 12.6695 13.3647 13.3647 13.4708 13.4708 k = 0.5000 0.5000 0.4024 ( 2240 PWs) bands (ev): -8.8607 -8.8607 -8.8600 -8.8600 -7.8595 -7.8595 -7.8157 -7.8157 -7.8132 -7.8132 5.5047 5.5047 9.2322 9.2322 9.3708 9.3708 9.9193 9.9193 9.9326 9.9326 10.3788 10.3788 10.4408 10.4408 11.6281 11.6281 11.6505 11.6505 11.7245 11.7245 12.1258 12.1258 12.3860 12.3860 12.3954 12.3954 12.6247 12.6247 12.6587 12.6587 12.6693 12.6693 13.3741 13.3741 13.4588 13.4588 k = 0.5000 0.5000 0.4146 ( 2240 PWs) bands (ev): -8.8606 -8.8606 -8.8601 -8.8601 -7.8599 -7.8599 -7.8153 -7.8153 -7.8133 -7.8133 5.5130 5.5130 9.3047 9.3047 9.4443 9.4443 9.9136 9.9136 9.9273 9.9273 10.3257 10.3257 10.3889 10.3889 11.6288 11.6288 11.6468 11.6468 11.7204 11.7204 12.1656 12.1656 12.3724 12.3724 12.3805 12.3805 12.6250 12.6250 12.6519 12.6519 12.6679 12.6679 13.3816 13.3816 13.4493 13.4493 k = 0.5000 0.5000 0.4268 ( 2248 PWs) bands (ev): -8.8606 -8.8606 -8.8602 -8.8602 -7.8602 -7.8602 -7.8149 -7.8149 -7.8134 -7.8134 5.5203 5.5203 9.3766 9.3766 9.5177 9.5177 9.9086 9.9086 9.9224 9.9224 10.2712 10.2712 10.3347 10.3347 11.6294 11.6294 11.6431 11.6431 11.7171 11.7171 12.2024 12.2024 12.3596 12.3596 12.3665 12.3665 12.6253 12.6253 12.6457 12.6457 12.6653 12.6653 13.3871 13.3871 13.4424 13.4424 k = 0.5000 0.5000 0.4390 ( 2248 PWs) bands (ev): -8.8606 -8.8606 -8.8603 -8.8603 -7.8605 -7.8605 -7.8145 -7.8145 -7.8135 -7.8135 5.5266 5.5266 9.4473 9.4473 9.5906 9.5906 9.9043 9.9043 9.9177 9.9177 10.2157 10.2157 10.2783 10.2783 11.6299 11.6299 11.6398 11.6398 11.7147 11.7147 12.2356 12.2356 12.3481 12.3481 12.3538 12.3538 12.6256 12.6256 12.6402 12.6402 12.6616 12.6616 13.3904 13.3904 13.4383 13.4383 k = 0.5000 0.5000 0.4512 ( 2248 PWs) bands (ev): -8.8606 -8.8606 -8.8604 -8.8604 -7.8607 -7.8607 -7.8143 -7.8143 -7.8136 -7.8136 5.5319 5.5319 9.5157 9.5157 9.6628 9.6628 9.9008 9.9008 9.9133 9.9133 10.1605 10.1605 10.2199 10.2199 11.6304 11.6304 11.6368 11.6368 11.7129 11.7129 12.2645 12.2645 12.3382 12.3382 12.3429 12.3429 12.6260 12.6260 12.6357 12.6357 12.6574 12.6574 13.3917 13.3917 13.4365 13.4365 k = 0.5000 0.5000 0.4634 ( 2256 PWs) bands (ev): -8.8605 -8.8605 -8.8604 -8.8604 -7.8609 -7.8609 -7.8140 -7.8140 -7.8137 -7.8137 5.5360 5.5360 9.5804 9.5804 9.7336 9.7336 9.8980 9.8980 9.9088 9.9088 10.1073 10.1073 10.1600 10.1600 11.6307 11.6307 11.6344 11.6344 11.7116 11.7116 12.2884 12.2884 12.3301 12.3301 12.3340 12.3340 12.6263 12.6263 12.6320 12.6320 12.6529 12.6529 13.3916 13.3916 13.4361 13.4361 k = 0.5000 0.5000 0.4756 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8610 -7.8610 -7.8139 -7.8139 -7.8137 -7.8137 5.5390 5.5390 9.6378 9.6378 9.8016 9.8016 9.8961 9.8961 9.9035 9.9035 10.0600 10.0600 10.0998 10.0998 11.6309 11.6309 11.6325 11.6325 11.7107 11.7107 12.3059 12.3059 12.3242 12.3242 12.3275 12.3275 12.6266 12.6266 12.6293 12.6293 12.6489 12.6489 13.3910 13.3910 13.4363 13.4363 k = 0.5000 0.5000 0.4878 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8137 -7.8137 5.5408 5.5408 9.6813 9.6813 9.8626 9.8626 9.8949 9.8949 9.8974 9.8974 10.0256 10.0256 10.0435 10.0435 11.6310 11.6310 11.6314 11.6314 11.7102 11.7102 12.3166 12.3166 12.3206 12.3206 12.3240 12.3240 12.6270 12.6270 12.6277 12.6277 12.6460 12.6460 13.3904 13.3904 13.4368 13.4368 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -8.8605 -8.8605 -8.8605 -8.8605 -7.8611 -7.8611 -7.8138 -7.8138 -7.8138 -7.8138 5.5414 5.5414 9.6985 9.6985 9.8940 9.8940 9.8940 9.8940 9.8954 9.8954 10.0128 10.0128 10.0128 10.0128 11.6311 11.6311 11.6311 11.6311 11.7100 11.7100 12.3194 12.3194 12.3194 12.3194 12.3237 12.3237 12.6271 12.6271 12.6271 12.6271 12.6450 12.6450 13.3902 13.3902 13.4370 13.4370 Writing output data file Fe3Sn.save init_run : 0.16s CPU 0.33s WALL ( 1 calls) electrons : 90.95s CPU 92.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 90.94s CPU 92.83s 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 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 316 calls) cegterg : 82.13s CPU 83.46s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 36.31s CPU 37.93s WALL ( 6639 calls) s_psi : 3.78s CPU 3.92s WALL ( 6639 calls) g_psi : 0.09s CPU 0.12s WALL ( 5931 calls) cdiaghg : 41.08s CPU 40.32s WALL ( 6247 calls) cegterg:over : 3.04s CPU 3.06s WALL ( 5931 calls) cegterg:upda : 1.79s CPU 2.02s WALL ( 5931 calls) cegterg:last : 1.04s CPU 1.30s WALL ( 1092 calls) cdiaghg:chol : 2.12s CPU 2.14s WALL ( 6247 calls) cdiaghg:inve : 1.40s CPU 1.43s WALL ( 6247 calls) cdiaghg:para : 2.20s CPU 2.35s WALL ( 12494 calls) Called by h_psi: h_psi:vloc : 28.60s CPU 30.02s WALL ( 6639 calls) h_psi:vnl : 7.62s CPU 7.81s WALL ( 6639 calls) add_vuspsi : 4.22s CPU 4.42s WALL ( 6639 calls) General routines calbec : 3.38s CPU 3.38s WALL ( 6639 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.77s CPU 27.99s WALL ( 672320 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.19s WALL ( 632 calls) Parallel routines fft_scatter : 13.54s CPU 14.09s WALL ( 672343 calls) PWSCF : 1m41.78s CPU 1m53.01s WALL This run was terminated on: 18:15:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=