Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:55:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe3SnC.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 38 22 6 1072 470 78 Max 39 23 7 1077 493 85 Sum 1369 805 241 38641 17365 2945 bravais-lattice index = 14 lattice parameter (alat) = 7.2943 a.u. unit-cell volume = 388.1132 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.294342 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 1.00) C 4.00 12.01070 C( 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: 38641 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 17365 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 140, 50) NL pseudopotentials 0.16 Mb ( 70, 150) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1074) G-vector shells 0.00 Mb ( 267) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 140, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.23 Mb ( 150, 2, 50) The potential is recalculated from file : ./Fe3SnC.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.3 secs Computing kpt #: 26 total cpu time spent up to now is 10.6 secs Computing kpt #: 27 total cpu time spent up to now is 10.9 secs Computing kpt #: 28 total cpu time spent up to now is 11.1 secs Computing kpt #: 29 total cpu time spent up to now is 11.4 secs Computing kpt #: 30 total cpu time spent up to now is 11.6 secs Computing kpt #: 31 total cpu time spent up to now is 11.9 secs Computing kpt #: 32 total cpu time spent up to now is 12.2 secs Computing kpt #: 33 total cpu time spent up to now is 12.4 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.9 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.5 secs Computing kpt #: 38 total cpu time spent up to now is 13.7 secs Computing kpt #: 39 total cpu time spent up to now is 14.0 secs Computing kpt #: 40 total cpu time spent up to now is 14.2 secs Computing kpt #: 41 total cpu time spent up to now is 14.4 secs Computing kpt #: 42 total cpu time spent up to now is 14.7 secs Computing kpt #: 43 total cpu time spent up to now is 14.9 secs Computing kpt #: 44 total cpu time spent up to now is 15.1 secs Computing kpt #: 45 total cpu time spent up to now is 15.4 secs Computing kpt #: 46 total cpu time spent up to now is 15.6 secs Computing kpt #: 47 total cpu time spent up to now is 15.9 secs Computing kpt #: 48 total cpu time spent up to now is 16.2 secs Computing kpt #: 49 total cpu time spent up to now is 16.4 secs Computing kpt #: 50 total cpu time spent up to now is 16.7 secs Computing kpt #: 51 total cpu time spent up to now is 16.9 secs Computing kpt #: 52 total cpu time spent up to now is 17.2 secs Computing kpt #: 53 total cpu time spent up to now is 17.4 secs Computing kpt #: 54 total cpu time spent up to now is 17.6 secs Computing kpt #: 55 total cpu time spent up to now is 17.9 secs Computing kpt #: 56 total cpu time spent up to now is 18.1 secs Computing kpt #: 57 total cpu time spent up to now is 18.4 secs Computing kpt #: 58 total cpu time spent up to now is 18.6 secs Computing kpt #: 59 total cpu time spent up to now is 18.8 secs Computing kpt #: 60 total cpu time spent up to now is 19.0 secs Computing kpt #: 61 total cpu time spent up to now is 19.3 secs Computing kpt #: 62 total cpu time spent up to now is 19.5 secs Computing kpt #: 63 total cpu time spent up to now is 19.8 secs Computing kpt #: 64 total cpu time spent up to now is 20.0 secs Computing kpt #: 65 total cpu time spent up to now is 20.2 secs Computing kpt #: 66 total cpu time spent up to now is 20.5 secs Computing kpt #: 67 total cpu time spent up to now is 20.7 secs Computing kpt #: 68 total cpu time spent up to now is 20.9 secs Computing kpt #: 69 total cpu time spent up to now is 21.2 secs Computing kpt #: 70 total cpu time spent up to now is 21.4 secs Computing kpt #: 71 total cpu time spent up to now is 21.6 secs Computing kpt #: 72 total cpu time spent up to now is 21.9 secs Computing kpt #: 73 total cpu time spent up to now is 22.1 secs Computing kpt #: 74 total cpu time spent up to now is 22.3 secs Computing kpt #: 75 total cpu time spent up to now is 22.6 secs Computing kpt #: 76 total cpu time spent up to now is 22.8 secs Computing kpt #: 77 total cpu time spent up to now is 23.0 secs Computing kpt #: 78 total cpu time spent up to now is 23.3 secs Computing kpt #: 79 total cpu time spent up to now is 23.5 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 24.0 secs Computing kpt #: 82 total cpu time spent up to now is 24.2 secs Computing kpt #: 83 total cpu time spent up to now is 24.4 secs Computing kpt #: 84 total cpu time spent up to now is 24.6 secs Computing kpt #: 85 total cpu time spent up to now is 24.9 secs Computing kpt #: 86 total cpu time spent up to now is 25.1 secs Computing kpt #: 87 total cpu time spent up to now is 25.3 secs Computing kpt #: 88 total cpu time spent up to now is 25.6 secs Computing kpt #: 89 total cpu time spent up to now is 25.8 secs Computing kpt #: 90 total cpu time spent up to now is 26.0 secs Computing kpt #: 91 total cpu time spent up to now is 26.3 secs Computing kpt #: 92 total cpu time spent up to now is 26.5 secs Computing kpt #: 93 total cpu time spent up to now is 26.7 secs Computing kpt #: 94 total cpu time spent up to now is 27.0 secs Computing kpt #: 95 total cpu time spent up to now is 27.2 secs Computing kpt #: 96 total cpu time spent up to now is 27.4 secs Computing kpt #: 97 total cpu time spent up to now is 27.6 secs Computing kpt #: 98 total cpu time spent up to now is 27.9 secs Computing kpt #: 99 total cpu time spent up to now is 28.1 secs Computing kpt #: 100 total cpu time spent up to now is 28.3 secs Computing kpt #: 101 total cpu time spent up to now is 28.6 secs Computing kpt #: 102 total cpu time spent up to now is 28.8 secs Computing kpt #: 103 total cpu time spent up to now is 29.0 secs Computing kpt #: 104 total cpu time spent up to now is 29.3 secs Computing kpt #: 105 total cpu time spent up to now is 29.5 secs Computing kpt #: 106 total cpu time spent up to now is 29.7 secs Computing kpt #: 107 total cpu time spent up to now is 30.0 secs Computing kpt #: 108 total cpu time spent up to now is 30.2 secs Computing kpt #: 109 total cpu time spent up to now is 30.4 secs Computing kpt #: 110 total cpu time spent up to now is 30.7 secs Computing kpt #: 111 total cpu time spent up to now is 30.9 secs Computing kpt #: 112 total cpu time spent up to now is 31.1 secs Computing kpt #: 113 total cpu time spent up to now is 31.4 secs Computing kpt #: 114 total cpu time spent up to now is 31.6 secs Computing kpt #: 115 total cpu time spent up to now is 31.9 secs Computing kpt #: 116 total cpu time spent up to now is 32.1 secs Computing kpt #: 117 total cpu time spent up to now is 32.4 secs Computing kpt #: 118 total cpu time spent up to now is 32.6 secs Computing kpt #: 119 total cpu time spent up to now is 32.9 secs Computing kpt #: 120 total cpu time spent up to now is 33.1 secs Computing kpt #: 121 total cpu time spent up to now is 33.4 secs Computing kpt #: 122 total cpu time spent up to now is 33.6 secs Computing kpt #: 123 total cpu time spent up to now is 33.9 secs Computing kpt #: 124 total cpu time spent up to now is 34.1 secs Computing kpt #: 125 total cpu time spent up to now is 34.4 secs Computing kpt #: 126 total cpu time spent up to now is 34.6 secs Computing kpt #: 127 total cpu time spent up to now is 34.9 secs Computing kpt #: 128 total cpu time spent up to now is 35.2 secs Computing kpt #: 129 total cpu time spent up to now is 35.4 secs Computing kpt #: 130 total cpu time spent up to now is 35.7 secs Computing kpt #: 131 total cpu time spent up to now is 36.0 secs Computing kpt #: 132 total cpu time spent up to now is 36.2 secs Computing kpt #: 133 total cpu time spent up to now is 36.5 secs Computing kpt #: 134 total cpu time spent up to now is 36.8 secs Computing kpt #: 135 total cpu time spent up to now is 37.1 secs Computing kpt #: 136 total cpu time spent up to now is 37.4 secs Computing kpt #: 137 total cpu time spent up to now is 37.6 secs Computing kpt #: 138 total cpu time spent up to now is 37.9 secs Computing kpt #: 139 total cpu time spent up to now is 38.2 secs Computing kpt #: 140 total cpu time spent up to now is 38.4 secs Computing kpt #: 141 total cpu time spent up to now is 38.7 secs Computing kpt #: 142 total cpu time spent up to now is 39.0 secs Computing kpt #: 143 total cpu time spent up to now is 39.3 secs Computing kpt #: 144 total cpu time spent up to now is 39.5 secs Computing kpt #: 145 total cpu time spent up to now is 39.8 secs Computing kpt #: 146 total cpu time spent up to now is 40.1 secs Computing kpt #: 147 total cpu time spent up to now is 40.4 secs Computing kpt #: 148 total cpu time spent up to now is 40.7 secs Computing kpt #: 149 total cpu time spent up to now is 40.9 secs Computing kpt #: 150 total cpu time spent up to now is 41.2 secs Computing kpt #: 151 total cpu time spent up to now is 41.5 secs Computing kpt #: 152 total cpu time spent up to now is 41.8 secs Computing kpt #: 153 total cpu time spent up to now is 42.1 secs Computing kpt #: 154 total cpu time spent up to now is 42.4 secs Computing kpt #: 155 total cpu time spent up to now is 42.7 secs Computing kpt #: 156 total cpu time spent up to now is 42.9 secs Computing kpt #: 157 total cpu time spent up to now is 43.2 secs Computing kpt #: 158 total cpu time spent up to now is 43.4 secs Computing kpt #: 159 total cpu time spent up to now is 43.7 secs Computing kpt #: 160 total cpu time spent up to now is 44.0 secs Computing kpt #: 161 total cpu time spent up to now is 44.2 secs Computing kpt #: 162 total cpu time spent up to now is 44.5 secs Computing kpt #: 163 total cpu time spent up to now is 44.7 secs Computing kpt #: 164 total cpu time spent up to now is 45.0 secs Computing kpt #: 165 total cpu time spent up to now is 45.2 secs Computing kpt #: 166 total cpu time spent up to now is 45.5 secs Computing kpt #: 167 total cpu time spent up to now is 45.7 secs Computing kpt #: 168 total cpu time spent up to now is 46.0 secs Computing kpt #: 169 total cpu time spent up to now is 46.2 secs Computing kpt #: 170 total cpu time spent up to now is 46.4 secs Computing kpt #: 171 total cpu time spent up to now is 46.7 secs Computing kpt #: 172 total cpu time spent up to now is 46.9 secs Computing kpt #: 173 total cpu time spent up to now is 47.1 secs Computing kpt #: 174 total cpu time spent up to now is 47.4 secs Computing kpt #: 175 total cpu time spent up to now is 47.6 secs Computing kpt #: 176 total cpu time spent up to now is 47.8 secs Computing kpt #: 177 total cpu time spent up to now is 48.0 secs Computing kpt #: 178 total cpu time spent up to now is 48.3 secs Computing kpt #: 179 total cpu time spent up to now is 48.5 secs Computing kpt #: 180 total cpu time spent up to now is 48.7 secs Computing kpt #: 181 total cpu time spent up to now is 49.0 secs Computing kpt #: 182 total cpu time spent up to now is 49.2 secs Computing kpt #: 183 total cpu time spent up to now is 49.4 secs Computing kpt #: 184 total cpu time spent up to now is 49.7 secs Computing kpt #: 185 total cpu time spent up to now is 49.9 secs Computing kpt #: 186 total cpu time spent up to now is 50.2 secs Computing kpt #: 187 total cpu time spent up to now is 50.4 secs Computing kpt #: 188 total cpu time spent up to now is 50.7 secs Computing kpt #: 189 total cpu time spent up to now is 51.0 secs Computing kpt #: 190 total cpu time spent up to now is 51.2 secs Computing kpt #: 191 total cpu time spent up to now is 51.5 secs Computing kpt #: 192 total cpu time spent up to now is 51.8 secs Computing kpt #: 193 total cpu time spent up to now is 52.1 secs Computing kpt #: 194 total cpu time spent up to now is 52.3 secs Computing kpt #: 195 total cpu time spent up to now is 52.6 secs Computing kpt #: 196 total cpu time spent up to now is 52.9 secs Computing kpt #: 197 total cpu time spent up to now is 53.2 secs Computing kpt #: 198 total cpu time spent up to now is 53.5 secs Computing kpt #: 199 total cpu time spent up to now is 53.8 secs Computing kpt #: 200 total cpu time spent up to now is 54.0 secs Computing kpt #: 201 total cpu time spent up to now is 54.3 secs Computing kpt #: 202 total cpu time spent up to now is 54.6 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.2 secs Computing kpt #: 205 total cpu time spent up to now is 55.4 secs Computing kpt #: 206 total cpu time spent up to now is 55.7 secs Computing kpt #: 207 total cpu time spent up to now is 56.0 secs Computing kpt #: 208 total cpu time spent up to now is 56.2 secs Computing kpt #: 209 total cpu time spent up to now is 56.5 secs Computing kpt #: 210 total cpu time spent up to now is 56.7 secs Computing kpt #: 211 total cpu time spent up to now is 57.0 secs Computing kpt #: 212 total cpu time spent up to now is 57.2 secs Computing kpt #: 213 total cpu time spent up to now is 57.5 secs Computing kpt #: 214 total cpu time spent up to now is 57.7 secs Computing kpt #: 215 total cpu time spent up to now is 57.9 secs Computing kpt #: 216 total cpu time spent up to now is 58.1 secs Computing kpt #: 217 total cpu time spent up to now is 58.4 secs Computing kpt #: 218 total cpu time spent up to now is 58.6 secs Computing kpt #: 219 total cpu time spent up to now is 58.9 secs Computing kpt #: 220 total cpu time spent up to now is 59.1 secs Computing kpt #: 221 total cpu time spent up to now is 59.4 secs Computing kpt #: 222 total cpu time spent up to now is 59.6 secs Computing kpt #: 223 total cpu time spent up to now is 59.9 secs Computing kpt #: 224 total cpu time spent up to now is 60.2 secs Computing kpt #: 225 total cpu time spent up to now is 60.4 secs Computing kpt #: 226 total cpu time spent up to now is 60.7 secs Computing kpt #: 227 total cpu time spent up to now is 61.0 secs Computing kpt #: 228 total cpu time spent up to now is 61.3 secs Computing kpt #: 229 total cpu time spent up to now is 61.6 secs Computing kpt #: 230 total cpu time spent up to now is 61.9 secs Computing kpt #: 231 total cpu time spent up to now is 62.2 secs Computing kpt #: 232 total cpu time spent up to now is 62.5 secs Computing kpt #: 233 total cpu time spent up to now is 62.8 secs Computing kpt #: 234 total cpu time spent up to now is 63.1 secs Computing kpt #: 235 total cpu time spent up to now is 63.4 secs Computing kpt #: 236 total cpu time spent up to now is 63.7 secs Computing kpt #: 237 total cpu time spent up to now is 64.0 secs Computing kpt #: 238 total cpu time spent up to now is 64.3 secs Computing kpt #: 239 total cpu time spent up to now is 64.5 secs Computing kpt #: 240 total cpu time spent up to now is 64.9 secs Computing kpt #: 241 total cpu time spent up to now is 65.2 secs Computing kpt #: 242 total cpu time spent up to now is 65.5 secs Computing kpt #: 243 total cpu time spent up to now is 65.7 secs Computing kpt #: 244 total cpu time spent up to now is 66.0 secs Computing kpt #: 245 total cpu time spent up to now is 66.3 secs Computing kpt #: 246 total cpu time spent up to now is 66.6 secs Computing kpt #: 247 total cpu time spent up to now is 66.9 secs Computing kpt #: 248 total cpu time spent up to now is 67.2 secs Computing kpt #: 249 total cpu time spent up to now is 67.5 secs Computing kpt #: 250 total cpu time spent up to now is 67.9 secs Computing kpt #: 251 total cpu time spent up to now is 68.3 secs Computing kpt #: 252 total cpu time spent up to now is 68.6 secs Computing kpt #: 253 total cpu time spent up to now is 68.9 secs Computing kpt #: 254 total cpu time spent up to now is 69.2 secs Computing kpt #: 255 total cpu time spent up to now is 69.4 secs Computing kpt #: 256 total cpu time spent up to now is 69.7 secs Computing kpt #: 257 total cpu time spent up to now is 69.9 secs Computing kpt #: 258 total cpu time spent up to now is 70.2 secs Computing kpt #: 259 total cpu time spent up to now is 70.5 secs Computing kpt #: 260 total cpu time spent up to now is 70.7 secs Computing kpt #: 261 total cpu time spent up to now is 71.0 secs Computing kpt #: 262 total cpu time spent up to now is 71.3 secs Computing kpt #: 263 total cpu time spent up to now is 71.7 secs Computing kpt #: 264 total cpu time spent up to now is 72.0 secs Computing kpt #: 265 total cpu time spent up to now is 72.4 secs Computing kpt #: 266 total cpu time spent up to now is 72.7 secs Computing kpt #: 267 total cpu time spent up to now is 72.9 secs Computing kpt #: 268 total cpu time spent up to now is 73.2 secs Computing kpt #: 269 total cpu time spent up to now is 73.4 secs Computing kpt #: 270 total cpu time spent up to now is 73.7 secs Computing kpt #: 271 total cpu time spent up to now is 73.9 secs Computing kpt #: 272 total cpu time spent up to now is 74.2 secs Computing kpt #: 273 total cpu time spent up to now is 74.4 secs Computing kpt #: 274 total cpu time spent up to now is 74.6 secs Computing kpt #: 275 total cpu time spent up to now is 74.9 secs Computing kpt #: 276 total cpu time spent up to now is 75.1 secs Computing kpt #: 277 total cpu time spent up to now is 75.3 secs Computing kpt #: 278 total cpu time spent up to now is 75.6 secs Computing kpt #: 279 total cpu time spent up to now is 75.8 secs Computing kpt #: 280 total cpu time spent up to now is 76.1 secs Computing kpt #: 281 total cpu time spent up to now is 76.3 secs Computing kpt #: 282 total cpu time spent up to now is 76.5 secs Computing kpt #: 283 total cpu time spent up to now is 76.8 secs Computing kpt #: 284 total cpu time spent up to now is 77.0 secs Computing kpt #: 285 total cpu time spent up to now is 77.3 secs Computing kpt #: 286 total cpu time spent up to now is 77.6 secs Computing kpt #: 287 total cpu time spent up to now is 77.8 secs Computing kpt #: 288 total cpu time spent up to now is 78.1 secs Computing kpt #: 289 total cpu time spent up to now is 78.4 secs Computing kpt #: 290 total cpu time spent up to now is 78.6 secs Computing kpt #: 291 total cpu time spent up to now is 78.9 secs Computing kpt #: 292 total cpu time spent up to now is 79.2 secs Computing kpt #: 293 total cpu time spent up to now is 79.5 secs Computing kpt #: 294 total cpu time spent up to now is 79.8 secs Computing kpt #: 295 total cpu time spent up to now is 80.1 secs Computing kpt #: 296 total cpu time spent up to now is 80.4 secs Computing kpt #: 297 total cpu time spent up to now is 80.7 secs Computing kpt #: 298 total cpu time spent up to now is 81.0 secs Computing kpt #: 299 total cpu time spent up to now is 81.3 secs Computing kpt #: 300 total cpu time spent up to now is 81.7 secs Computing kpt #: 301 total cpu time spent up to now is 82.0 secs Computing kpt #: 302 total cpu time spent up to now is 82.3 secs Computing kpt #: 303 total cpu time spent up to now is 82.6 secs Computing kpt #: 304 total cpu time spent up to now is 82.9 secs Computing kpt #: 305 total cpu time spent up to now is 83.2 secs Computing kpt #: 306 total cpu time spent up to now is 83.5 secs Computing kpt #: 307 total cpu time spent up to now is 83.8 secs Computing kpt #: 308 total cpu time spent up to now is 84.0 secs Computing kpt #: 309 total cpu time spent up to now is 84.3 secs Computing kpt #: 310 total cpu time spent up to now is 84.6 secs Computing kpt #: 311 total cpu time spent up to now is 84.8 secs Computing kpt #: 312 total cpu time spent up to now is 85.0 secs Computing kpt #: 313 total cpu time spent up to now is 85.3 secs Computing kpt #: 314 total cpu time spent up to now is 85.5 secs Computing kpt #: 315 total cpu time spent up to now is 85.8 secs Computing kpt #: 316 total cpu time spent up to now is 86.0 secs ethr = 2.38E-08, avg # of iterations = 13.2 total cpu time spent up to now is 86.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0860 1.0860 5.4464 5.4464 11.1172 11.1172 11.1572 11.1572 11.1572 11.1572 11.9214 11.9214 11.9214 11.9214 11.9288 11.9288 12.0944 12.0944 12.0944 12.0944 14.2008 14.2008 14.2008 14.2008 14.2890 14.2890 14.2890 14.2890 14.3174 14.3174 15.2571 15.2571 15.3128 15.3128 15.3128 15.3128 15.4270 15.4270 16.6745 16.6745 k = 0.0000 0.0122-0.0000 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0871 1.0871 5.4469 5.4469 11.1137 11.1137 11.1518 11.1518 11.1561 11.1561 11.9216 11.9216 11.9217 11.9217 11.9291 11.9291 12.0955 12.0955 12.0964 12.0964 14.1992 14.1992 14.2007 14.2007 14.2884 14.2884 14.2887 14.2887 14.3169 14.3169 15.2574 15.2574 15.3129 15.3129 15.3133 15.3133 15.4262 15.4262 16.6757 16.6757 k = 0.0000 0.0244-0.0000 ( 2117 PWs) bands (ev): -7.1788 -7.1788 -7.1787 -7.1787 -6.1577 -6.1577 -6.1575 -6.1575 -6.1405 -6.1405 1.0906 1.0906 5.4483 5.4483 11.0995 11.0995 11.1394 11.1394 11.1527 11.1527 11.9221 11.9221 11.9226 11.9226 11.9300 11.9300 12.0985 12.0985 12.1020 12.1020 14.1943 14.1943 14.2003 14.2003 14.2866 14.2866 14.2879 14.2879 14.3157 14.3157 15.2583 15.2583 15.3134 15.3134 15.3146 15.3146 15.4239 15.4239 16.6793 16.6793 k = 0.0000 0.0366-0.0000 ( 2133 PWs) bands (ev): -7.1787 -7.1787 -7.1785 -7.1785 -6.1576 -6.1576 -6.1573 -6.1573 -6.1405 -6.1405 1.0963 1.0963 5.4506 5.4506 11.0682 11.0682 11.1279 11.1279 11.1472 11.1472 11.9227 11.9227 11.9239 11.9239 11.9315 11.9315 12.1037 12.1037 12.1102 12.1102 14.1862 14.1862 14.1995 14.1995 14.2835 14.2835 14.2864 14.2864 14.3134 14.3134 15.2597 15.2597 15.3141 15.3141 15.3166 15.3166 15.4201 15.4201 16.6847 16.6847 k = 0.0000 0.0488-0.0000 ( 2136 PWs) bands (ev): -7.1787 -7.1787 -7.1783 -7.1783 -6.1576 -6.1576 -6.1569 -6.1569 -6.1405 -6.1405 1.1042 1.1042 5.4538 5.4538 11.0206 11.0206 11.1183 11.1183 11.1396 11.1396 11.9236 11.9236 11.9259 11.9259 11.9334 11.9334 12.1110 12.1110 12.1195 12.1195 14.1748 14.1748 14.1986 14.1986 14.2794 14.2794 14.2846 14.2846 14.3106 14.3106 15.2618 15.2618 15.3154 15.3154 15.3199 15.3199 15.4150 15.4150 16.6916 16.6916 k = 0.0000 0.0610-0.0000 ( 2136 PWs) bands (ev): -7.1786 -7.1786 -7.1781 -7.1781 -6.1575 -6.1575 -6.1565 -6.1565 -6.1405 -6.1405 1.1145 1.1145 5.4579 5.4579 10.9607 10.9607 11.1084 11.1084 11.1301 11.1301 11.9246 11.9246 11.9283 11.9283 11.9358 11.9358 12.1204 12.1204 12.1284 12.1284 14.1601 14.1601 14.1974 14.1974 14.2742 14.2742 14.2822 14.2822 14.3070 14.3070 15.2644 15.2644 15.3172 15.3172 15.3244 15.3244 15.4084 15.4084 16.6991 16.6991 k = 0.0000 0.0732-0.0000 ( 2136 PWs) bands (ev): -7.1786 -7.1786 -7.1778 -7.1778 -6.1574 -6.1574 -6.1560 -6.1560 -6.1405 -6.1405 1.1269 1.1269 5.4627 5.4627 10.8912 10.8912 11.0975 11.0975 11.1188 11.1188 11.9255 11.9255 11.9312 11.9312 11.9385 11.9385 12.1318 12.1318 12.1353 12.1353 14.1419 14.1419 14.1958 14.1958 14.2680 14.2680 14.2795 14.2795 14.3027 14.3027 15.2675 15.2675 15.3198 15.3198 15.3299 15.3299 15.4003 15.4003 16.7067 16.7067 k = 0.0000 0.0854-0.0000 ( 2148 PWs) bands (ev): -7.1785 -7.1785 -7.1774 -7.1774 -6.1573 -6.1573 -6.1554 -6.1554 -6.1405 -6.1405 1.1415 1.1415 5.4682 5.4682 10.8142 10.8142 11.0855 11.0855 11.1060 11.1060 11.9262 11.9262 11.9343 11.9343 11.9414 11.9414 12.1389 12.1389 12.1452 12.1452 14.1205 14.1205 14.1938 14.1938 14.2610 14.2610 14.2763 14.2763 14.2977 14.2977 15.2707 15.2707 15.3232 15.3232 15.3365 15.3365 15.3907 15.3907 16.7139 16.7139 k = 0.0000 0.0976-0.0000 ( 2156 PWs) bands (ev): -7.1784 -7.1784 -7.1770 -7.1770 -6.1572 -6.1572 -6.1547 -6.1547 -6.1405 -6.1405 1.1583 1.1583 5.4743 5.4743 10.7314 10.7314 11.0723 11.0723 11.0917 11.0917 11.9267 11.9267 11.9378 11.9378 11.9444 11.9444 12.1383 12.1383 12.1606 12.1606 14.0958 14.0958 14.1914 14.1914 14.2531 14.2531 14.2729 14.2729 14.2922 14.2922 15.2740 15.2740 15.3279 15.3279 15.3442 15.3442 15.3797 15.3797 16.7208 16.7208 k = 0.0000 0.1098-0.0000 ( 2156 PWs) bands (ev): -7.1783 -7.1783 -7.1766 -7.1766 -6.1570 -6.1570 -6.1539 -6.1539 -6.1405 -6.1405 1.1773 1.1773 5.4810 5.4810 10.6440 10.6440 11.0580 11.0580 11.0762 11.0762 11.9268 11.9268 11.9413 11.9413 11.9477 11.9477 12.1326 12.1326 12.1780 12.1780 14.0684 14.0684 14.1887 14.1887 14.2448 14.2448 14.2692 14.2692 14.2864 14.2864 15.2771 15.2771 15.3341 15.3341 15.3533 15.3533 15.3674 15.3674 16.7279 16.7279 k = 0.0000 0.1220-0.0000 ( 2156 PWs) bands (ev): -7.1783 -7.1783 -7.1761 -7.1761 -6.1569 -6.1569 -6.1531 -6.1531 -6.1405 -6.1405 1.1983 1.1983 5.4880 5.4880 10.5533 10.5533 11.0428 11.0428 11.0596 11.0596 11.9263 11.9263 11.9443 11.9443 11.9516 11.9516 12.1211 12.1211 12.1974 12.1974 14.0388 14.0388 14.1855 14.1855 14.2361 14.2361 14.2651 14.2651 14.2804 14.2804 15.2800 15.2800 15.3420 15.3420 15.3534 15.3534 15.3639 15.3639 16.7359 16.7359 k = 0.0000 0.1341-0.0000 ( 2164 PWs) bands (ev): -7.1781 -7.1781 -7.1756 -7.1756 -6.1567 -6.1567 -6.1522 -6.1522 -6.1406 -6.1406 1.2213 1.2213 5.4952 5.4952 10.4604 10.4604 11.0268 11.0268 11.0422 11.0422 11.9252 11.9252 11.9465 11.9465 11.9561 11.9561 12.1032 12.1032 12.2186 12.2186 14.0074 14.0074 14.1818 14.1818 14.2271 14.2271 14.2604 14.2604 14.2745 14.2745 15.2823 15.2823 15.3383 15.3383 15.3516 15.3516 15.3755 15.3755 16.7455 16.7455 k = 0.0000 0.1463-0.0000 ( 2164 PWs) bands (ev): -7.1780 -7.1780 -7.1750 -7.1750 -6.1566 -6.1566 -6.1512 -6.1512 -6.1406 -6.1406 1.2463 1.2463 5.5026 5.5026 10.3663 10.3663 11.0101 11.0101 11.0241 11.0241 11.9235 11.9235 11.9480 11.9480 11.9613 11.9613 12.0786 12.0786 12.2416 12.2416 13.9749 13.9749 14.1776 14.1776 14.2180 14.2180 14.2551 14.2551 14.2690 14.2690 15.2842 15.2842 15.3218 15.3218 15.3631 15.3631 15.3885 15.3885 16.7571 16.7571 k = 0.0000 0.1585-0.0000 ( 2164 PWs) bands (ev): -7.1779 -7.1779 -7.1744 -7.1744 -6.1564 -6.1564 -6.1502 -6.1502 -6.1406 -6.1406 1.2732 1.2732 5.5098 5.5098 10.2719 10.2719 10.9930 10.9930 11.0055 11.0055 11.9210 11.9210 11.9486 11.9486 11.9671 11.9671 12.0469 12.0469 12.2665 12.2665 13.9421 13.9421 14.1729 14.1729 14.2089 14.2089 14.2490 14.2490 14.2641 14.2641 15.2858 15.2858 15.3039 15.3039 15.3762 15.3762 15.4029 15.4029 16.7709 16.7709 k = 0.0000 0.1707-0.0000 ( 2184 PWs) bands (ev): -7.1778 -7.1778 -7.1738 -7.1738 -6.1562 -6.1562 -6.1491 -6.1491 -6.1406 -6.1406 1.3019 1.3019 5.5168 5.5168 10.1779 10.1779 10.9755 10.9755 10.9865 10.9865 11.9175 11.9175 11.9485 11.9485 11.9731 11.9731 12.0082 12.0082 12.2929 12.2929 13.9096 13.9096 14.1676 14.1676 14.1998 14.1998 14.2419 14.2419 14.2598 14.2598 15.2845 15.2845 15.2871 15.2871 15.3909 15.3909 15.4184 15.4184 16.7870 16.7870 k = 0.0000 0.1829-0.0000 ( 2184 PWs) bands (ev): -7.1777 -7.1777 -7.1732 -7.1732 -6.1560 -6.1560 -6.1479 -6.1479 -6.1406 -6.1406 1.3324 1.3324 5.5233 5.5233 10.0852 10.0852 10.9578 10.9578 10.9673 10.9673 11.9130 11.9130 11.9475 11.9475 11.9626 11.9626 11.9797 11.9797 12.3211 12.3211 13.8783 13.8783 14.1619 14.1619 14.1911 14.1911 14.2345 14.2345 14.2561 14.2561 15.2640 15.2640 15.2881 15.2881 15.4071 15.4071 15.4353 15.4353 16.8051 16.8051 k = 0.0000 0.1951-0.0000 ( 2176 PWs) bands (ev): -7.1775 -7.1775 -7.1725 -7.1725 -6.1558 -6.1558 -6.1468 -6.1468 -6.1406 -6.1406 1.3645 1.3645 5.5292 5.5292 9.9945 9.9945 10.9399 10.9399 10.9481 10.9481 11.9016 11.9016 11.9163 11.9163 11.9459 11.9459 11.9867 11.9867 12.3510 12.3510 13.8486 13.8486 14.1557 14.1557 14.1827 14.1827 14.2268 14.2268 14.2529 14.2529 15.2424 15.2424 15.2889 15.2889 15.4248 15.4248 15.4536 15.4536 16.8251 16.8251 k = 0.0000 0.2073-0.0000 ( 2176 PWs) bands (ev): -7.1774 -7.1774 -7.1718 -7.1718 -6.1556 -6.1556 -6.1455 -6.1455 -6.1407 -6.1407 1.3981 1.3981 5.5342 5.5342 9.9065 9.9065 10.9221 10.9221 10.9288 10.9288 11.8475 11.8475 11.9048 11.9048 11.9433 11.9433 11.9939 11.9939 12.3824 12.3824 13.8209 13.8209 14.1490 14.1490 14.1747 14.1747 14.2190 14.2190 14.2498 14.2498 15.2196 15.2196 15.2896 15.2896 15.4438 15.4438 15.4729 15.4729 16.8463 16.8463 k = 0.0000 0.2195-0.0000 ( 2180 PWs) bands (ev): -7.1773 -7.1773 -7.1711 -7.1711 -6.1554 -6.1554 -6.1443 -6.1443 -6.1407 -6.1407 1.4332 1.4332 5.5381 5.5381 9.8218 9.8218 10.9043 10.9043 10.9097 10.9097 11.7817 11.7817 11.8980 11.8980 11.9400 11.9400 12.0013 12.0013 12.4152 12.4152 13.7954 13.7954 14.1418 14.1418 14.1670 14.1670 14.2114 14.2114 14.2469 14.2469 15.1956 15.1956 15.2902 15.2902 15.4638 15.4638 15.4933 15.4933 16.8685 16.8685 k = 0.0000 0.2317-0.0000 ( 2172 PWs) bands (ev): -7.1771 -7.1771 -7.1704 -7.1704 -6.1552 -6.1552 -6.1430 -6.1430 -6.1407 -6.1407 1.4695 1.4695 5.5408 5.5408 9.7412 9.7412 10.8868 10.8868 10.8909 10.8909 11.7097 11.7097 11.8909 11.8909 11.9361 11.9361 12.0089 12.0089 12.4493 12.4493 13.7725 13.7725 14.1341 14.1341 14.1599 14.1599 14.2039 14.2039 14.2442 14.2442 15.1706 15.1706 15.2907 15.2907 15.4850 15.4850 15.5147 15.5147 16.8913 16.8913 k = 0.0000 0.2439-0.0000 ( 2172 PWs) bands (ev): -7.1770 -7.1770 -7.1697 -7.1697 -6.1550 -6.1550 -6.1418 -6.1418 -6.1407 -6.1407 1.5070 1.5070 5.5419 5.5419 9.6652 9.6652 10.8696 10.8696 10.8723 10.8723 11.6322 11.6322 11.8832 11.8832 11.9314 11.9314 12.0167 12.0167 12.4846 12.4846 13.7523 13.7523 14.1260 14.1260 14.1532 14.1532 14.1967 14.1967 14.2414 14.2414 15.1446 15.1446 15.2911 15.2911 15.5070 15.5070 15.5369 15.5369 16.9143 16.9143 k = 0.0000 0.2561-0.0000 ( 2172 PWs) bands (ev): -7.1768 -7.1768 -7.1690 -7.1690 -6.1547 -6.1547 -6.1407 -6.1407 -6.1405 -6.1405 1.5455 1.5455 5.5413 5.5413 9.5944 9.5944 10.8527 10.8527 10.8542 10.8542 11.5500 11.5500 11.8750 11.8750 11.9262 11.9262 12.0246 12.0246 12.5210 12.5210 13.7345 13.7345 14.1175 14.1175 14.1469 14.1469 14.1899 14.1899 14.2385 14.2385 15.1178 15.1178 15.2914 15.2914 15.5296 15.5296 15.5598 15.5598 16.9372 16.9372 k = 0.0000 0.2683-0.0000 ( 2164 PWs) bands (ev): -7.1767 -7.1767 -7.1683 -7.1683 -6.1545 -6.1545 -6.1407 -6.1407 -6.1392 -6.1392 1.5848 1.5848 5.5389 5.5389 9.5293 9.5293 10.8362 10.8362 10.8366 10.8366 11.4637 11.4637 11.8665 11.8665 11.9205 11.9205 12.0326 12.0326 12.5585 12.5585 13.7192 13.7192 14.1086 14.1086 14.1411 14.1411 14.1834 14.1834 14.2356 14.2356 15.0903 15.0903 15.2917 15.2917 15.5530 15.5530 15.5835 15.5835 16.9596 16.9596 k = 0.0000 0.2805-0.0000 ( 2172 PWs) bands (ev): -7.1765 -7.1765 -7.1676 -7.1676 -6.1543 -6.1543 -6.1408 -6.1408 -6.1379 -6.1379 1.6248 1.6248 5.5345 5.5345 9.4702 9.4702 10.8196 10.8196 10.8202 10.8202 11.3739 11.3739 11.8575 11.8575 11.9143 11.9143 12.0405 12.0405 12.5967 12.5967 13.7061 13.7061 14.0994 14.0994 14.1357 14.1357 14.1772 14.1772 14.2324 14.2324 15.0619 15.0619 15.2920 15.2920 15.5766 15.5766 15.6073 15.6073 16.9813 16.9813 k = 0.0000 0.2927-0.0000 ( 2176 PWs) bands (ev): -7.1764 -7.1764 -7.1670 -7.1670 -6.1541 -6.1541 -6.1408 -6.1408 -6.1367 -6.1367 1.6651 1.6651 5.5280 5.5280 9.4178 9.4178 10.8031 10.8031 10.8047 10.8047 11.2815 11.2815 11.8482 11.8482 11.9078 11.9078 12.0484 12.0484 12.6356 12.6356 13.6950 13.6950 14.0901 14.0901 14.1307 14.1307 14.1714 14.1714 14.2291 14.2291 15.0333 15.0333 15.2922 15.2922 15.6004 15.6004 15.6314 15.6314 17.0023 17.0023 k = 0.0000 0.3049-0.0000 ( 2164 PWs) bands (ev): -7.1763 -7.1763 -7.1663 -7.1663 -6.1539 -6.1539 -6.1408 -6.1408 -6.1354 -6.1354 1.7057 1.7057 5.5195 5.5195 9.3723 9.3723 10.7874 10.7874 10.7897 10.7897 11.1871 11.1871 11.8390 11.8390 11.9012 11.9012 12.0563 12.0563 12.6751 12.6751 13.6858 13.6858 14.0807 14.0807 14.1262 14.1262 14.1659 14.1659 14.2257 14.2257 15.0045 15.0045 15.2924 15.2924 15.6244 15.6244 15.6557 15.6557 17.0222 17.0222 k = 0.0000 0.3171-0.0000 ( 2172 PWs) bands (ev): -7.1761 -7.1761 -7.1656 -7.1656 -6.1537 -6.1537 -6.1408 -6.1408 -6.1342 -6.1342 1.7462 1.7462 5.5089 5.5089 9.3340 9.3340 10.7724 10.7724 10.7753 10.7753 11.0912 11.0912 11.8296 11.8296 11.8942 11.8942 12.0640 12.0640 12.7149 12.7149 13.6782 13.6782 14.0713 14.0713 14.1219 14.1219 14.1606 14.1606 14.2219 14.2219 14.9755 14.9755 15.2926 15.2926 15.6480 15.6480 15.6796 15.6796 17.0409 17.0409 k = 0.0000 0.3293-0.0000 ( 2172 PWs) bands (ev): -7.1760 -7.1760 -7.1650 -7.1650 -6.1535 -6.1535 -6.1408 -6.1408 -6.1331 -6.1331 1.7865 1.7865 5.4963 5.4963 9.3031 9.3031 10.7581 10.7581 10.7611 10.7611 10.9949 10.9949 11.8203 11.8203 11.8872 11.8872 12.0715 12.0715 12.7548 12.7548 13.6721 13.6721 14.0620 14.0620 14.1181 14.1181 14.1555 14.1555 14.2179 14.2179 14.9467 14.9467 15.2928 15.2928 15.6714 15.6714 15.7033 15.7033 17.0585 17.0585 k = 0.0000 0.3415-0.0000 ( 2172 PWs) bands (ev): -7.1759 -7.1759 -7.1644 -7.1644 -6.1534 -6.1534 -6.1408 -6.1408 -6.1319 -6.1319 1.8261 1.8261 5.4819 5.4819 9.2796 9.2796 10.7447 10.7447 10.7467 10.7467 10.8993 10.8993 11.8111 11.8111 11.8803 11.8803 12.0788 12.0788 12.7946 12.7946 13.6672 13.6672 14.0529 14.0529 14.1147 14.1147 14.1506 14.1506 14.2137 14.2137 14.9182 14.9182 15.2929 15.2929 15.6942 15.6942 15.7265 15.7265 17.0747 17.0747 k = 0.0000 0.3537-0.0000 ( 2172 PWs) bands (ev): -7.1758 -7.1758 -7.1639 -7.1639 -6.1532 -6.1532 -6.1408 -6.1408 -6.1309 -6.1309 1.8648 1.8648 5.4661 5.4661 9.2637 9.2637 10.7288 10.7288 10.7322 10.7322 10.8082 10.8082 11.8022 11.8022 11.8734 11.8734 12.0858 12.0858 12.8340 12.8340 13.6634 13.6634 14.0442 14.0442 14.1117 14.1117 14.1457 14.1457 14.2092 14.2092 14.8904 14.8904 15.2930 15.2930 15.7163 15.7163 15.7489 15.7489 17.0896 17.0896 k = 0.0000 0.3659-0.0000 ( 2168 PWs) bands (ev): -7.1757 -7.1757 -7.1633 -7.1633 -6.1530 -6.1530 -6.1408 -6.1408 -6.1299 -6.1299 1.9023 1.9023 5.4490 5.4490 9.2551 9.2551 10.6830 10.6830 10.7205 10.7205 10.7466 10.7466 11.7936 11.7936 11.8668 11.8668 12.0925 12.0925 12.8727 12.8727 13.6605 13.6605 14.0358 14.0358 14.1090 14.1090 14.1408 14.1408 14.2047 14.2047 14.8635 14.8635 15.2932 15.2932 15.7376 15.7376 15.7705 15.7705 17.1032 17.1032 k = 0.0000 0.3780-0.0000 ( 2168 PWs) bands (ev): -7.1756 -7.1756 -7.1628 -7.1628 -6.1529 -6.1529 -6.1408 -6.1408 -6.1289 -6.1289 1.9383 1.9383 5.4310 5.4310 9.2538 9.2538 10.5982 10.5982 10.7098 10.7098 10.7262 10.7262 11.7854 11.7854 11.8604 11.8604 12.0988 12.0988 12.9104 12.9104 13.6584 13.6584 14.0279 14.0279 14.1065 14.1065 14.1357 14.1357 14.2000 14.2000 14.8377 14.8377 15.2933 15.2933 15.7577 15.7577 15.7910 15.7910 17.1155 17.1155 k = 0.0000 0.3902-0.0000 ( 2168 PWs) bands (ev): -7.1755 -7.1755 -7.1624 -7.1624 -6.1528 -6.1528 -6.1408 -6.1408 -6.1281 -6.1281 1.9723 1.9723 5.4127 5.4127 9.2594 9.2594 10.5074 10.5074 10.7000 10.7000 10.7145 10.7145 11.7778 11.7778 11.8544 11.8544 12.1047 12.1047 12.9466 12.9466 13.6568 13.6568 14.0206 14.0206 14.1044 14.1044 14.1303 14.1303 14.1953 14.1953 14.8134 14.8134 15.2934 15.2934 15.7766 15.7766 15.8101 15.8101 17.1265 17.1265 k = 0.0000 0.4024-0.0000 ( 2160 PWs) bands (ev): -7.1754 -7.1754 -7.1620 -7.1620 -6.1526 -6.1526 -6.1408 -6.1408 -6.1273 -6.1273 2.0040 2.0040 5.3944 5.3944 9.2715 9.2715 10.4177 10.4177 10.6912 10.6912 10.7052 10.7052 11.7707 11.7707 11.8489 11.8489 12.1101 12.1101 12.9810 12.9810 13.6560 13.6560 14.0139 14.0139 14.1026 14.1026 14.1248 14.1248 14.1909 14.1909 14.7908 14.7908 15.2934 15.2934 15.7940 15.7940 15.8278 15.8278 17.1362 17.1362 k = 0.0000 0.4146-0.0000 ( 2168 PWs) bands (ev): -7.1753 -7.1753 -7.1616 -7.1616 -6.1525 -6.1525 -6.1408 -6.1408 -6.1266 -6.1266 2.0332 2.0332 5.3767 5.3767 9.2896 9.2896 10.3306 10.3306 10.6834 10.6834 10.6974 10.6974 11.7644 11.7644 11.8438 11.8438 12.1148 12.1148 13.0131 13.0131 13.6552 13.6552 14.0078 14.0078 14.1008 14.1008 14.1189 14.1189 14.1865 14.1865 14.7702 14.7702 15.2935 15.2935 15.8098 15.8098 15.8439 15.8439 17.1446 17.1446 k = 0.0000 0.4268-0.0000 ( 2160 PWs) bands (ev): -7.1752 -7.1752 -7.1613 -7.1613 -6.1524 -6.1524 -6.1408 -6.1408 -6.1260 -6.1260 2.0593 2.0593 5.3601 5.3601 9.3128 9.3128 10.2475 10.2475 10.6766 10.6766 10.6907 10.6907 11.7588 11.7588 11.8394 11.8394 12.1191 12.1191 13.0425 13.0425 13.6548 13.6548 14.0026 14.0026 14.0994 14.0994 14.1130 14.1130 14.1828 14.1828 14.7519 14.7519 15.2936 15.2936 15.8238 15.8238 15.8581 15.8581 17.1519 17.1519 k = 0.0000 0.4390-0.0000 ( 2160 PWs) bands (ev): -7.1752 -7.1752 -7.1610 -7.1610 -6.1524 -6.1524 -6.1408 -6.1408 -6.1254 -6.1254 2.0821 2.0821 5.3450 5.3450 9.3400 9.3400 10.1693 10.1693 10.6708 10.6708 10.6851 10.6851 11.7541 11.7541 11.8357 11.8357 12.1226 12.1226 13.0686 13.0686 13.6545 13.6545 13.9982 13.9982 14.0981 14.0981 14.1070 14.1070 14.1794 14.1794 14.7361 14.7361 15.2938 15.2938 15.8359 15.8359 15.8705 15.8705 17.1579 17.1579 k = 0.0000 0.4512-0.0000 ( 2160 PWs) bands (ev): -7.1751 -7.1751 -7.1608 -7.1608 -6.1523 -6.1523 -6.1408 -6.1408 -6.1250 -6.1250 2.1012 2.1012 5.3320 5.3320 9.3698 9.3698 10.0979 10.0979 10.6660 10.6660 10.6805 10.6805 11.7500 11.7500 11.8324 11.8324 12.1257 12.1257 13.0909 13.0909 13.6544 13.6544 13.9945 13.9945 14.0972 14.0972 14.1015 14.1015 14.1767 14.1767 14.7229 14.7229 15.2938 15.2938 15.8460 15.8460 15.8807 15.8807 17.1628 17.1628 k = 0.0000 0.4634-0.0000 ( 2164 PWs) bands (ev): -7.1751 -7.1751 -7.1606 -7.1606 -6.1522 -6.1522 -6.1408 -6.1408 -6.1246 -6.1246 2.1164 2.1164 5.3214 5.3214 9.3998 9.3998 10.0355 10.0355 10.6623 10.6623 10.6769 10.6769 11.7469 11.7469 11.8299 11.8299 12.1280 12.1280 13.1089 13.1089 13.6543 13.6543 13.9917 13.9917 14.0963 14.0963 14.0966 14.0966 14.1745 14.1745 14.7126 14.7126 15.2939 15.2939 15.8539 15.8539 15.8887 15.8887 17.1666 17.1666 k = 0.0000 0.4756-0.0000 ( 2168 PWs) bands (ev): -7.1751 -7.1751 -7.1605 -7.1605 -6.1522 -6.1522 -6.1408 -6.1408 -6.1244 -6.1244 2.1274 2.1274 5.3136 5.3136 9.4267 9.4267 9.9855 9.9855 10.6596 10.6596 10.6744 10.6744 11.7446 11.7446 11.8281 11.8281 12.1298 12.1298 13.1221 13.1221 13.6542 13.6542 13.9897 13.9897 14.0928 14.0928 14.0957 14.0957 14.1729 14.1729 14.7051 14.7051 15.2939 15.2939 15.8596 15.8596 15.8946 15.8946 17.1692 17.1692 k = 0.0000 0.4878-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1341 2.1341 5.3088 5.3088 9.4460 9.4460 9.9523 9.9523 10.6580 10.6580 10.6729 10.6729 11.7432 11.7432 11.8269 11.8269 12.1308 12.1308 13.1302 13.1302 13.6542 13.6542 13.9885 13.9885 14.0903 14.0903 14.0954 14.0954 14.1720 14.1720 14.7006 14.7006 15.2939 15.2939 15.8630 15.8630 15.8981 15.8981 17.1708 17.1708 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1364 2.1364 5.3072 5.3072 9.4532 9.4532 9.9405 9.9405 10.6575 10.6575 10.6724 10.6724 11.7427 11.7427 11.8266 11.8266 12.1312 12.1312 13.1329 13.1329 13.6542 13.6542 13.9881 13.9881 14.0895 14.0895 14.0953 14.0953 14.1717 14.1717 14.6991 14.6991 15.2939 15.2939 15.8642 15.8642 15.8993 15.8993 17.1714 17.1714 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1364 2.1364 5.3072 5.3072 9.4532 9.4532 9.9405 9.9405 10.6575 10.6575 10.6724 10.6724 11.7427 11.7427 11.8266 11.8266 12.1312 12.1312 13.1329 13.1329 13.6542 13.6542 13.9881 13.9881 14.0895 14.0895 14.0953 14.0953 14.1717 14.1717 14.6991 14.6991 15.2939 15.2939 15.8642 15.8642 15.8993 15.8993 17.1714 17.1714 k = 0.0122 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1374 2.1374 5.3084 5.3084 9.4525 9.4525 9.9381 9.9381 10.6557 10.6557 10.6706 10.6706 11.7426 11.7426 11.8265 11.8265 12.1331 12.1331 13.1328 13.1328 13.6542 13.6542 13.9814 13.9814 14.0894 14.0894 14.1000 14.1000 14.1735 14.1735 14.6992 14.6992 15.2911 15.2911 15.8654 15.8654 15.9007 15.9007 17.1671 17.1671 k = 0.0244 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1521 -6.1521 -6.1409 -6.1409 -6.1241 -6.1241 2.1405 2.1405 5.3121 5.3121 9.4506 9.4506 9.9309 9.9309 10.6504 10.6504 10.6655 10.6655 11.7421 11.7421 11.8262 11.8262 12.1388 12.1388 13.1322 13.1322 13.6541 13.6541 13.9641 13.9641 14.0883 14.0883 14.1113 14.1113 14.1791 14.1791 14.6994 14.6994 15.2830 15.2830 15.8680 15.8680 15.9060 15.9060 17.1544 17.1544 k = 0.0366 0.5000-0.0000 ( 2166 PWs) bands (ev): -7.1749 -7.1749 -7.1604 -7.1604 -6.1519 -6.1519 -6.1409 -6.1409 -6.1241 -6.1241 2.1456 2.1456 5.3182 5.3182 9.4471 9.4471 9.9190 9.9190 10.6417 10.6417 10.6571 10.6571 11.7412 11.7412 11.8257 11.8257 12.1482 12.1482 13.1315 13.1315 13.6539 13.6539 13.9412 13.9412 14.0859 14.0859 14.1244 14.1244 14.1895 14.1895 14.6998 14.6998 15.2700 15.2700 15.8699 15.8699 15.9167 15.9167 17.1335 17.1335 k = 0.0488 0.5000-0.0000 ( 2170 PWs) bands (ev): -7.1748 -7.1748 -7.1604 -7.1604 -6.1518 -6.1518 -6.1410 -6.1410 -6.1240 -6.1240 2.1528 2.1528 5.3268 5.3268 9.4420 9.4420 9.9024 9.9024 10.6296 10.6296 10.6460 10.6460 11.7398 11.7398 11.8250 11.8250 12.1612 12.1612 13.1305 13.1305 13.6535 13.6535 13.9152 13.9152 14.0816 14.0816 14.1370 14.1370 14.2047 14.2047 14.7002 14.7002 15.2524 15.2524 15.8698 15.8698 15.9334 15.9334 17.1049 17.1049 k = 0.0610 0.5000-0.0000 ( 2166 PWs) bands (ev): -7.1747 -7.1747 -7.1604 -7.1604 -6.1515 -6.1515 -6.1411 -6.1411 -6.1239 -6.1239 2.1620 2.1620 5.3379 5.3379 9.4349 9.4349 9.8813 9.8813 10.6148 10.6148 10.6323 10.6323 11.7377 11.7377 11.8241 11.8241 12.1776 12.1776 13.1294 13.1294 13.6528 13.6528 13.8876 13.8876 14.0756 14.0756 14.1491 14.1491 14.2234 14.2234 14.7006 14.7006 15.2316 15.2316 15.8678 15.8678 15.9552 15.9552 17.0691 17.0691 k = 0.0732 0.5000-0.0000 ( 2162 PWs) bands (ev): -7.1745 -7.1745 -7.1604 -7.1604 -6.1512 -6.1512 -6.1413 -6.1413 -6.1238 -6.1238 2.1732 2.1732 5.3514 5.3514 9.4255 9.4255 9.8559 9.8559 10.5976 10.5976 10.6164 10.6164 11.7347 11.7347 11.8231 11.8231 12.1970 12.1970 13.1285 13.1285 13.6515 13.6515 13.8592 13.8592 14.0679 14.0679 14.1618 14.1618 14.2441 14.2441 14.7010 14.7010 15.2077 15.2077 15.8643 15.8643 15.9811 15.9811 17.0270 17.0270 k = 0.0854 0.5000-0.0000 ( 2162 PWs) bands (ev): -7.1743 -7.1743 -7.1604 -7.1604 -6.1509 -6.1509 -6.1414 -6.1414 -6.1237 -6.1237 2.1864 2.1864 5.3673 5.3673 9.4132 9.4132 9.8263 9.8263 10.5788 10.5788 10.5986 10.5986 11.7304 11.7304 11.8220 11.8220 12.2192 12.2192 13.1277 13.1277 13.6494 13.6494 13.8301 13.8301 14.0591 14.0591 14.1756 14.1756 14.2657 14.2657 14.7011 14.7011 15.1818 15.1818 15.8596 15.8596 16.0101 16.0101 16.9792 16.9792 k = 0.0976 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1741 -7.1741 -7.1604 -7.1604 -6.1506 -6.1506 -6.1416 -6.1416 -6.1236 -6.1236 2.2015 2.2015 5.3856 5.3856 9.3975 9.3975 9.7925 9.7925 10.5592 10.5592 10.5791 10.5791 11.7245 11.7245 11.8209 11.8209 12.2439 12.2439 13.1274 13.1274 13.6463 13.6463 13.8008 13.8008 14.0495 14.0495 14.1909 14.1909 14.2875 14.2875 14.7009 14.7009 15.1540 15.1540 15.8538 15.8538 16.0415 16.0415 16.9268 16.9268 k = 0.1098 0.5000-0.0000 ( 2166 PWs) bands (ev): -7.1739 -7.1739 -7.1605 -7.1605 -6.1502 -6.1502 -6.1418 -6.1418 -6.1234 -6.1234 2.2185 2.2185 5.4064 5.4064 9.3778 9.3778 9.7551 9.7551 10.5397 10.5397 10.5585 10.5585 11.7167 11.7167 11.8200 11.8200 12.2710 12.2710 13.1276 13.1276 13.6421 13.6421 13.7715 13.7715 14.0398 14.0398 14.2077 14.2077 14.3092 14.3092 14.7003 14.7003 15.1249 15.1249 15.8470 15.8470 16.0749 16.0749 16.8706 16.8706 k = 0.1220 0.5000-0.0000 ( 2162 PWs) bands (ev): -7.1736 -7.1736 -7.1605 -7.1605 -6.1498 -6.1498 -6.1420 -6.1420 -6.1232 -6.1232 2.2373 2.2373 5.4295 5.4295 9.3537 9.3537 9.7139 9.7139 10.5207 10.5207 10.5372 10.5372 11.7067 11.7067 11.8195 11.8195 12.3000 12.3000 13.1286 13.1286 13.6363 13.6363 13.7425 13.7425 14.0305 14.0305 14.2261 14.2261 14.3304 14.3304 14.6991 14.6991 15.0949 15.0949 15.8393 15.8393 16.1099 16.1099 16.8116 16.8116 k = 0.1341 0.5000-0.0000 ( 2164 PWs) bands (ev): -7.1734 -7.1734 -7.1605 -7.1605 -6.1493 -6.1493 -6.1422 -6.1422 -6.1229 -6.1229 2.2579 2.2579 5.4551 5.4551 9.3246 9.3246 9.6692 9.6692 10.5016 10.5016 10.5171 10.5171 11.6941 11.6941 11.8195 11.8195 12.3309 12.3309 13.1305 13.1305 13.6287 13.6287 13.7139 13.7139 14.0219 14.0219 14.2458 14.2458 14.3511 14.3511 14.6971 14.6971 15.0640 15.0640 15.8307 15.8307 16.1461 16.1461 16.7506 16.7506 k = 0.1463 0.5000-0.0000 ( 2164 PWs) bands (ev): -7.1731 -7.1731 -7.1605 -7.1605 -6.1489 -6.1489 -6.1425 -6.1425 -6.1226 -6.1226 2.2802 2.2802 5.4830 5.4830 9.2902 9.2902 9.6213 9.6213 10.4806 10.4806 10.5010 10.5010 11.6789 11.6789 11.8199 11.8199 12.3632 12.3632 13.1334 13.1334 13.6189 13.6189 13.6862 13.6862 14.0143 14.0143 14.2669 14.2669 14.3711 14.3711 14.6942 14.6942 15.0327 15.0327 15.8214 15.8214 16.1833 16.1833 16.6884 16.6884 k = 0.1585 0.5000-0.0000 ( 2164 PWs) bands (ev): -7.1728 -7.1728 -7.1605 -7.1605 -6.1485 -6.1485 -6.1427 -6.1427 -6.1223 -6.1223 2.3041 2.3041 5.5133 5.5133 9.2502 9.2502 9.5702 9.5702 10.4571 10.4571 10.4903 10.4903 11.6610 11.6610 11.8209 11.8209 12.3968 12.3968 13.1373 13.1373 13.6064 13.6064 13.6600 13.6600 14.0079 14.0079 14.2891 14.2891 14.3903 14.3903 14.6902 14.6902 15.0008 15.0008 15.8114 15.8114 16.2213 16.2213 16.6257 16.6257 k = 0.1707 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1725 -7.1725 -7.1606 -7.1606 -6.1481 -6.1481 -6.1428 -6.1428 -6.1220 -6.1220 2.3296 2.3296 5.5458 5.5458 9.2047 9.2047 9.5160 9.5160 10.4323 10.4323 10.4844 10.4844 11.6404 11.6404 11.8224 11.8224 12.4314 12.4314 13.1424 13.1424 13.5905 13.5905 13.6361 13.6361 14.0029 14.0029 14.3124 14.3124 14.4087 14.4087 14.6850 14.6850 14.9688 14.9688 15.8008 15.8008 16.2597 16.2597 16.5631 16.5631 k = 0.1829 0.5000-0.0000 ( 2164 PWs) bands (ev): -7.1721 -7.1721 -7.1606 -7.1606 -6.1478 -6.1478 -6.1430 -6.1430 -6.1216 -6.1216 2.3566 2.3566 5.5807 5.5807 9.1537 9.1537 9.4591 9.4591 10.4070 10.4070 10.4832 10.4832 11.6174 11.6174 11.8243 11.8243 12.4669 12.4669 13.1487 13.1487 13.5709 13.5709 13.6152 13.6152 13.9993 13.9993 14.3366 14.3366 14.4263 14.4263 14.6784 14.6784 14.9366 14.9366 15.7900 15.7900 16.2985 16.2985 16.5012 16.5012 k = 0.1951 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1718 -7.1718 -7.1606 -7.1606 -6.1476 -6.1476 -6.1430 -6.1430 -6.1212 -6.1212 2.3849 2.3849 5.6179 5.6179 9.0977 9.0977 9.3996 9.3996 10.3813 10.3813 10.4863 10.4863 11.5921 11.5921 11.8266 11.8266 12.5030 12.5030 13.1560 13.1560 13.5482 13.5482 13.5968 13.5968 13.9970 13.9970 14.3614 14.3614 14.4429 14.4429 14.6701 14.6701 14.9042 14.9042 15.7789 15.7789 16.3375 16.3375 16.4405 16.4405 k = 0.2073 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1715 -7.1715 -7.1606 -7.1606 -6.1475 -6.1475 -6.1430 -6.1430 -6.1207 -6.1207 2.4145 2.4145 5.6573 5.6573 9.0371 9.0371 9.3375 9.3375 10.3557 10.3557 10.4938 10.4938 11.5648 11.5648 11.8292 11.8292 12.5396 12.5396 13.1644 13.1644 13.5238 13.5238 13.5798 13.5798 13.9959 13.9959 14.3867 14.3867 14.4586 14.4586 14.6602 14.6602 14.8721 14.8721 15.7677 15.7677 16.3741 16.3741 16.3838 16.3838 k = 0.2195 0.5000-0.0000 ( 2176 PWs) bands (ev): -7.1712 -7.1712 -7.1606 -7.1606 -6.1475 -6.1475 -6.1428 -6.1428 -6.1202 -6.1202 2.4452 2.4452 5.6989 5.6989 8.9725 8.9725 9.2730 9.2730 10.3303 10.3303 10.5052 10.5052 11.5356 11.5356 11.8321 11.8321 12.5764 12.5764 13.1737 13.1737 13.4987 13.4987 13.5635 13.5635 13.9959 13.9959 14.4122 14.4122 14.4734 14.4734 14.6486 14.6486 14.8400 14.8400 15.7565 15.7565 16.3232 16.3232 16.4162 16.4162 k = 0.2317 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1708 -7.1708 -7.1606 -7.1606 -6.1476 -6.1476 -6.1426 -6.1426 -6.1197 -6.1197 2.4770 2.4770 5.7427 5.7427 8.9045 8.9045 9.2063 9.2063 10.3051 10.3051 10.5202 10.5202 11.5051 11.5051 11.8352 11.8352 12.6134 12.6134 13.1839 13.1839 13.4736 13.4736 13.5476 13.5476 13.9966 13.9966 14.4377 14.4377 14.4871 14.4871 14.6353 14.6353 14.8082 14.8082 15.7456 15.7456 16.2678 16.2678 16.4550 16.4550 k = 0.2439 0.5000-0.0000 ( 2174 PWs) bands (ev): -7.1705 -7.1705 -7.1606 -7.1606 -6.1478 -6.1478 -6.1423 -6.1423 -6.1191 -6.1191 2.5096 2.5096 5.7886 5.7886 8.8338 8.8338 9.1375 9.1375 10.2805 10.2805 10.5386 10.5386 11.4734 11.4734 11.8386 11.8386 12.6504 12.6504 13.1950 13.1950 13.4490 13.4490 13.5322 13.5322 13.9981 13.9981 14.4629 14.4629 14.4997 14.4997 14.6208 14.6208 14.7767 14.7767 15.7352 15.7352 16.2145 16.2145 16.4935 16.4935 k = 0.2561 0.5000-0.0000 ( 2174 PWs) bands (ev): -7.1702 -7.1702 -7.1606 -7.1606 -6.1480 -6.1480 -6.1420 -6.1420 -6.1185 -6.1185 2.5429 2.5429 5.8365 5.8365 8.7610 8.7610 9.0668 9.0668 10.2564 10.2564 10.5598 10.5598 11.4410 11.4410 11.8420 11.8420 12.6871 12.6871 13.2066 13.2066 13.4248 13.4248 13.5173 13.5173 14.0000 14.0000 14.4871 14.4871 14.5108 14.5108 14.6057 14.6057 14.7456 14.7456 15.7253 15.7253 16.1636 16.1636 16.5316 16.5316 k = 0.2683 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1699 -7.1699 -7.1606 -7.1606 -6.1484 -6.1484 -6.1416 -6.1416 -6.1179 -6.1179 2.5768 2.5768 5.8864 5.8864 8.6869 8.6869 8.9944 8.9944 10.2329 10.2329 10.5835 10.5835 11.4081 11.4081 11.8455 11.8455 12.7236 12.7236 13.2187 13.2187 13.4014 13.4014 13.5030 13.5030 14.0021 14.0021 14.5078 14.5078 14.5206 14.5206 14.5923 14.5923 14.7149 14.7149 15.7159 15.7159 16.1150 16.1150 16.5691 16.5691 k = 0.2805 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1696 -7.1696 -7.1606 -7.1606 -6.1487 -6.1487 -6.1412 -6.1412 -6.1173 -6.1173 2.6111 2.6111 5.9383 5.9383 8.6120 8.6120 8.9203 8.9203 10.2102 10.2102 10.6093 10.6093 11.3751 11.3751 11.8491 11.8491 12.7595 12.7595 13.2310 13.2310 13.3789 13.3789 13.4894 13.4894 14.0043 14.0043 14.5145 14.5145 14.5343 14.5343 14.5857 14.5857 14.6848 14.6848 15.7072 15.7072 16.0690 16.0690 16.6059 16.6059 k = 0.2927 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1693 -7.1693 -7.1606 -7.1606 -6.1491 -6.1491 -6.1408 -6.1408 -6.1167 -6.1167 2.6456 2.6456 5.9920 5.9920 8.5371 8.5371 8.8449 8.8449 10.1883 10.1883 10.6367 10.6367 11.3424 11.3424 11.8527 11.8527 12.7949 12.7949 13.2434 13.2434 13.3573 13.3573 13.4769 13.4769 14.0065 14.0065 14.5052 14.5052 14.5486 14.5486 14.5914 14.5914 14.6554 14.6554 15.6993 15.6993 16.0256 16.0256 16.6419 16.6419 k = 0.3049 0.5000-0.0000 ( 2172 PWs) bands (ev): -7.1691 -7.1691 -7.1605 -7.1605 -6.1494 -6.1494 -6.1405 -6.1405 -6.1160 -6.1160 2.6800 2.6800 6.0475 6.0475 8.4627 8.4627 8.7683 8.7683 10.1674 10.1674 10.6654 10.6654 11.3102 11.3102 11.8563 11.8563 12.8296 12.8296 13.2556 13.2556 13.3369 13.3369 13.4655 13.4655 14.0083 14.0083 14.4865 14.4865 14.5596 14.5596 14.6057 14.6057 14.6281 14.6281 15.6921 15.6921 15.9848 15.9848 16.6768 16.6768 k = 0.3171 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1688 -7.1688 -7.1605 -7.1605 -6.1498 -6.1498 -6.1401 -6.1401 -6.1153 -6.1153 2.7142 2.7142 6.1046 6.1046 8.3894 8.3894 8.6907 8.6907 10.1475 10.1475 10.6948 10.6948 11.2788 11.2788 11.8599 11.8599 12.8634 12.8634 13.2669 13.2669 13.3182 13.3182 13.4555 13.4555 14.0096 14.0096 14.4632 14.4632 14.5687 14.5687 14.5957 14.5957 14.6294 14.6294 15.6857 15.6857 15.9467 15.9467 16.7106 16.7106 k = 0.3293 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1686 -7.1686 -7.1605 -7.1605 -6.1502 -6.1502 -6.1398 -6.1398 -6.1147 -6.1147 2.7480 2.7480 6.1632 6.1632 8.3177 8.3177 8.6123 8.6123 10.1285 10.1285 10.7247 10.7247 11.2485 11.2485 11.8635 11.8635 12.8961 12.8961 13.2753 13.2753 13.3031 13.3031 13.4468 13.4468 14.0102 14.0102 14.4376 14.4376 14.5690 14.5690 14.5768 14.5768 14.6488 14.6488 15.6799 15.6799 15.9112 15.9112 16.7431 16.7431 k = 0.3415 0.5000-0.0000 ( 2174 PWs) bands (ev): -7.1684 -7.1684 -7.1604 -7.1604 -6.1506 -6.1506 -6.1395 -6.1395 -6.1140 -6.1140 2.7810 2.7810 6.2231 6.2231 8.2482 8.2482 8.5334 8.5334 10.1107 10.1107 10.7545 10.7545 11.2196 11.2196 11.8668 11.8668 12.9276 12.9276 13.2723 13.2723 13.3000 13.3000 13.4396 13.4396 14.0098 14.0098 14.4110 14.4110 14.5428 14.5428 14.5841 14.5841 14.6687 14.6687 15.6746 15.6746 15.8784 15.8784 16.7741 16.7741 k = 0.3537 0.5000-0.0000 ( 2174 PWs) bands (ev): -7.1682 -7.1682 -7.1604 -7.1604 -6.1509 -6.1509 -6.1392 -6.1392 -6.1134 -6.1134 2.8131 2.8131 6.2842 6.2842 8.1814 8.1814 8.4544 8.4544 10.0940 10.0940 10.7840 10.7840 11.1924 11.1924 11.8701 11.8701 12.9577 12.9577 13.2593 13.2593 13.3073 13.3073 13.4341 13.4341 14.0082 14.0082 14.3843 14.3843 14.5173 14.5173 14.5907 14.5907 14.6879 14.6879 15.6699 15.6699 15.8484 15.8484 16.8036 16.8036 k = 0.3659 0.5000-0.0000 ( 2176 PWs) bands (ev): -7.1680 -7.1680 -7.1603 -7.1603 -6.1512 -6.1512 -6.1389 -6.1389 -6.1128 -6.1128 2.8439 2.8439 6.3462 6.3462 8.1178 8.1178 8.3755 8.3755 10.0785 10.0785 10.8126 10.8126 11.1670 11.1670 11.8733 11.8733 12.9863 12.9863 13.2452 13.2452 13.3159 13.3159 13.4303 13.4303 14.0053 14.0053 14.3581 14.3581 14.4930 14.4930 14.5967 14.5967 14.7062 14.7062 15.6657 15.6657 15.8212 15.8212 16.8314 16.8314 k = 0.3780 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1679 -7.1679 -7.1602 -7.1602 -6.1516 -6.1516 -6.1387 -6.1387 -6.1122 -6.1122 2.8733 2.8733 6.4087 6.4087 8.0578 8.0578 8.2972 8.2972 10.0642 10.0642 10.8399 10.8399 11.1438 11.1438 11.8763 11.8763 13.0132 13.0132 13.2318 13.2318 13.3242 13.3242 13.4283 13.4283 14.0008 14.0008 14.3334 14.3334 14.4699 14.4699 14.6021 14.6021 14.7229 14.7229 15.6616 15.6616 15.7968 15.7968 16.8573 16.8573 k = 0.3902 0.5000-0.0000 ( 2176 PWs) bands (ev): -7.1677 -7.1677 -7.1602 -7.1602 -6.1519 -6.1519 -6.1385 -6.1385 -6.1117 -6.1117 2.9010 2.9010 6.4715 6.4715 8.0019 8.0019 8.2199 8.2199 10.0512 10.0512 10.8654 10.8654 11.1230 11.1230 11.8791 11.8791 13.0381 13.0381 13.2196 13.2196 13.3316 13.3316 13.4279 13.4279 13.9946 13.9946 14.3107 14.3107 14.4484 14.4484 14.6070 14.6070 14.7385 14.7385 15.6578 15.6578 15.7754 15.7754 16.8812 16.8812 k = 0.4024 0.5000-0.0000 ( 2176 PWs) bands (ev): -7.1676 -7.1676 -7.1601 -7.1601 -6.1521 -6.1521 -6.1383 -6.1383 -6.1112 -6.1112 2.9266 2.9266 6.5340 6.5340 7.9504 7.9504 8.1444 8.1444 10.0394 10.0394 10.8885 10.8885 11.1050 11.1050 11.8817 11.8817 13.0609 13.0609 13.2087 13.2087 13.3380 13.3380 13.4290 13.4290 13.9867 13.9867 14.2903 14.2903 14.4284 14.4284 14.6113 14.6113 14.7525 14.7525 15.6539 15.6539 15.7569 15.7569 16.9030 16.9030 k = 0.4146 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1675 -7.1675 -7.1601 -7.1601 -6.1524 -6.1524 -6.1381 -6.1381 -6.1107 -6.1107 2.9499 2.9499 6.5954 6.5954 7.9037 7.9037 8.0714 8.0714 10.0291 10.0291 10.9087 10.9087 11.0900 11.0900 11.8841 11.8841 13.0811 13.0811 13.1995 13.1995 13.3434 13.3434 13.4312 13.4312 13.9773 13.9773 14.2728 14.2728 14.4102 14.4102 14.6150 14.6150 14.7649 14.7649 15.6499 15.6499 15.7413 15.7413 16.9226 16.9226 k = 0.4268 0.5000-0.0000 ( 2184 PWs) bands (ev): -7.1674 -7.1674 -7.1600 -7.1600 -6.1526 -6.1526 -6.1380 -6.1380 -6.1103 -6.1103 2.9707 2.9707 6.6550 6.6550 7.8620 7.8620 8.0021 8.0021 10.0200 10.0200 10.9253 10.9253 11.0783 11.0783 11.8862 11.8862 13.0985 13.0985 13.1920 13.1920 13.3479 13.3479 13.4342 13.4342 13.9670 13.9670 14.2582 14.2582 14.3940 14.3940 14.6182 14.6182 14.7758 14.7758 15.6458 15.6458 15.7286 15.7286 16.9397 16.9397 k = 0.4390 0.5000-0.0000 ( 2184 PWs) bands (ev): -7.1674 -7.1674 -7.1600 -7.1600 -6.1528 -6.1528 -6.1378 -6.1378 -6.1100 -6.1100 2.9888 2.9888 6.7114 6.7114 7.8255 7.8255 7.9379 7.9379 10.0123 10.0123 10.9380 10.9380 11.0704 11.0704 11.8880 11.8880 13.1128 13.1128 13.1865 13.1865 13.3518 13.3518 13.4375 13.4375 13.9562 13.9562 14.2465 14.2465 14.3798 14.3798 14.6209 14.6209 14.7850 14.7850 15.6417 15.6417 15.7187 15.7187 16.9545 16.9545 k = 0.4512 0.5000-0.0000 ( 2180 PWs) bands (ev): -7.1673 -7.1673 -7.1599 -7.1599 -6.1529 -6.1529 -6.1377 -6.1377 -6.1097 -6.1097 3.0039 3.0039 6.7631 6.7631 7.7941 7.7941 7.8810 7.8810 10.0060 10.0060 10.9468 10.9468 11.0659 11.0659 11.8895 11.8895 13.1235 13.1235 13.1833 13.1833 13.3551 13.3551 13.4408 13.4408 13.9459 13.9459 14.2375 14.2375 14.3681 14.3681 14.6231 14.6231 14.7927 14.7927 15.6377 15.6377 15.7114 15.7114 16.9666 16.9666 k = 0.4634 0.5000-0.0000 ( 2184 PWs) bands (ev): -7.1673 -7.1673 -7.1599 -7.1599 -6.1530 -6.1530 -6.1377 -6.1377 -6.1095 -6.1095 3.0158 3.0158 6.8078 6.8078 7.7673 7.7673 7.8342 7.8342 10.0010 10.0010 10.9520 10.9520 11.0642 11.0642 11.8906 11.8906 13.1304 13.1304 13.1822 13.1822 13.3577 13.3577 13.4437 13.4437 13.9367 13.9367 14.2308 14.2308 14.3587 14.3587 14.6248 14.6248 14.7986 14.7986 15.6342 15.6342 15.7061 15.7061 16.9762 16.9762 k = 0.4756 0.5000-0.0000 ( 2184 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1531 -6.1531 -6.1376 -6.1376 -6.1093 -6.1093 3.0245 3.0245 6.8429 6.8429 7.7450 7.7450 7.8007 7.8007 9.9975 9.9975 10.9546 10.9546 11.0642 11.0642 11.8914 11.8914 13.1342 13.1342 13.1827 13.1827 13.3596 13.3596 13.4460 13.4460 13.9296 13.9296 14.2263 14.2263 14.3519 14.3519 14.6260 14.6260 14.8028 14.8028 15.6314 15.6314 15.7026 15.7026 16.9830 16.9830 k = 0.4878 0.5000-0.0000 ( 2192 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1376 -6.1376 -6.1092 -6.1092 3.0297 3.0297 6.8655 6.8655 7.7289 7.7289 7.7815 7.7815 9.9953 9.9953 10.9557 10.9557 11.0647 11.0647 11.8919 11.8919 13.1359 13.1359 13.1836 13.1836 13.3608 13.3608 13.4474 13.4474 13.9250 13.9250 14.2237 14.2237 14.3478 14.3478 14.6267 14.6267 14.8053 14.8053 15.6295 15.6295 15.7006 15.7006 16.9871 16.9871 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1376 -6.1376 -6.1092 -6.1092 3.0315 3.0315 6.8733 6.8733 7.7229 7.7229 7.7755 7.7755 9.9946 9.9946 10.9560 10.9560 11.0649 11.0649 11.8921 11.8921 13.1363 13.1363 13.1840 13.1840 13.3612 13.3612 13.4479 13.4479 13.9234 13.9234 14.2228 14.2228 14.3464 14.3464 14.6269 14.6269 14.8061 14.8061 15.6289 15.6289 15.6999 15.6999 16.9885 16.9885 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1376 -6.1376 -6.1092 -6.1092 3.0315 3.0315 6.8733 6.8733 7.7229 7.7229 7.7755 7.7755 9.9946 9.9946 10.9560 10.9560 11.0649 11.0649 11.8921 11.8921 13.1363 13.1363 13.1840 13.1840 13.3612 13.3612 13.4479 13.4479 13.9234 13.9234 14.2228 14.2228 14.3464 14.3464 14.6269 14.6269 14.8061 14.8061 15.6289 15.6289 15.6999 15.6999 16.9885 16.9885 k = 0.4914 0.4914-0.0000 ( 2192 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1376 -6.1376 -6.1092 -6.1092 3.0297 3.0297 6.8655 6.8655 7.7287 7.7287 7.7818 7.7818 9.9953 9.9953 10.9557 10.9557 11.0647 11.0647 11.8919 11.8919 13.1359 13.1359 13.1836 13.1836 13.3608 13.3608 13.4474 13.4474 13.9250 13.9250 14.2237 14.2237 14.3478 14.3478 14.6267 14.6267 14.8053 14.8053 15.6295 15.6295 15.7006 15.7006 16.9871 16.9871 k = 0.4828 0.4828-0.0000 ( 2186 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1531 -6.1531 -6.1376 -6.1376 -6.1093 -6.1093 3.0245 3.0245 6.8431 6.8431 7.7416 7.7416 7.8038 7.8038 9.9975 9.9975 10.9548 10.9548 11.0640 11.0640 11.8914 11.8914 13.1342 13.1342 13.1827 13.1827 13.3595 13.3595 13.4461 13.4461 13.9297 13.9297 14.2263 14.2263 14.3519 14.3519 14.6260 14.6260 14.8028 14.8028 15.6313 15.6313 15.7026 15.7026 16.9830 16.9830 k = 0.4741 0.4741-0.0000 ( 2182 PWs) bands (ev): -7.1673 -7.1673 -7.1599 -7.1599 -6.1530 -6.1530 -6.1377 -6.1377 -6.1095 -6.1095 3.0157 3.0157 6.8089 6.8089 7.7554 7.7554 7.8451 7.8451 10.0010 10.0010 10.9528 10.9528 11.0634 11.0634 11.8906 11.8906 13.1303 13.1303 13.1824 13.1824 13.3570 13.3570 13.4441 13.4441 13.9372 13.9372 14.2305 14.2305 14.3586 14.3586 14.6248 14.6248 14.7986 14.7986 15.6340 15.6340 15.7061 15.7061 16.9762 16.9762 k = 0.4655 0.4655-0.0000 ( 2182 PWs) bands (ev): -7.1673 -7.1673 -7.1599 -7.1599 -6.1529 -6.1529 -6.1377 -6.1377 -6.1097 -6.1097 3.0036 3.0036 6.7662 6.7662 7.7696 7.7696 7.9029 7.9029 10.0060 10.0060 10.9492 10.9492 11.0636 11.0636 11.8895 11.8895 13.1231 13.1231 13.1837 13.1837 13.3531 13.3531 13.4421 13.4421 13.9475 13.9475 14.2364 14.2364 14.3679 14.3679 14.6232 14.6232 14.7926 14.7926 15.6374 15.6374 15.7114 15.7114 16.9666 16.9666 k = 0.4569 0.4569-0.0000 ( 2182 PWs) bands (ev): -7.1673 -7.1673 -7.1600 -7.1600 -6.1528 -6.1528 -6.1378 -6.1378 -6.1100 -6.1100 2.9880 2.9880 6.7178 6.7178 7.7853 7.7853 7.9728 7.9728 10.0123 10.0123 10.9435 10.9435 11.0653 11.0653 11.8880 11.8880 13.1121 13.1121 13.1874 13.1874 13.3473 13.3473 13.4406 13.4406 13.9600 13.9600 14.2440 14.2440 14.3794 14.3794 14.6211 14.6211 14.7851 14.7851 15.6409 15.6409 15.7189 15.7189 16.9543 16.9543 k = 0.4483 0.4483-0.0000 ( 2188 PWs) bands (ev): -7.1674 -7.1674 -7.1600 -7.1600 -6.1526 -6.1526 -6.1380 -6.1380 -6.1104 -6.1104 2.9692 2.9692 6.6662 6.6662 7.8035 7.8035 8.0515 8.0515 10.0200 10.0200 10.9352 10.9352 11.0692 11.0692 11.8863 11.8863 13.0976 13.0976 13.1934 13.1934 13.3392 13.3392 13.4400 13.4400 13.9744 13.9744 14.2531 14.2531 14.3930 14.3930 14.6187 14.6187 14.7758 14.7758 15.6443 15.6443 15.7289 15.7289 16.9393 16.9393 k = 0.4397 0.4397-0.0000 ( 2180 PWs) bands (ev): -7.1675 -7.1675 -7.1601 -7.1601 -6.1524 -6.1524 -6.1381 -6.1381 -6.1108 -6.1108 2.9471 2.9471 6.6129 6.6129 7.8245 7.8245 8.1371 8.1371 10.0291 10.0291 10.9243 10.9243 11.0757 11.0757 11.8843 11.8843 13.0799 13.0799 13.2015 13.2015 13.3288 13.3288 13.4408 13.4408 13.9905 13.9905 14.2639 14.2639 14.4085 14.4085 14.6160 14.6160 14.7653 14.7653 15.6473 15.6473 15.7417 15.7417 16.9217 16.9217 k = 0.4310 0.4310-0.0000 ( 2180 PWs) bands (ev): -7.1676 -7.1676 -7.1602 -7.1602 -6.1521 -6.1521 -6.1383 -6.1383 -6.1113 -6.1113 2.9218 2.9218 6.5593 6.5593 7.8484 7.8484 8.2277 8.2277 10.0395 10.0395 10.9110 10.9110 11.0848 11.0848 11.8822 11.8822 13.0596 13.0596 13.2113 13.2113 13.3160 13.3160 13.4429 13.4429 14.0075 14.0075 14.2762 14.2762 14.4255 14.4255 14.6130 14.6130 14.7531 14.7531 15.6497 15.6497 15.7571 15.7571 16.9016 16.9016 k = 0.4224 0.4224-0.0000 ( 2180 PWs) bands (ev): -7.1677 -7.1677 -7.1603 -7.1603 -6.1519 -6.1519 -6.1385 -6.1385 -6.1118 -6.1118 2.8936 2.8936 6.5062 6.5062 7.8752 7.8752 8.3225 8.3225 10.0513 10.0513 10.8957 10.8957 11.0964 11.0964 11.8799 11.8799 13.0370 13.0370 13.2228 13.2228 13.3010 13.3010 13.4464 13.4464 14.0250 14.0250 14.2900 14.2900 14.4436 14.4436 14.6098 14.6098 14.7395 14.7395 15.6516 15.6516 15.7751 15.7751 16.8791 16.8791 k = 0.4138 0.4138-0.0000 ( 2184 PWs) bands (ev): -7.1678 -7.1678 -7.1604 -7.1604 -6.1516 -6.1516 -6.1387 -6.1387 -6.1124 -6.1124 2.8624 2.8624 6.4541 6.4541 7.9050 7.9050 8.4203 8.4203 10.0644 10.0644 10.8791 10.8791 11.1103 11.1103 11.8774 11.8774 13.0124 13.0124 13.2357 13.2357 13.2839 13.2839 13.4513 13.4513 14.0427 14.0427 14.3052 14.3052 14.4626 14.4626 14.6068 14.6068 14.7246 14.7246 15.6529 15.6529 15.7955 15.7955 16.8541 16.8541 k = 0.4052 0.4052-0.0000 ( 2190 PWs) bands (ev): -7.1679 -7.1679 -7.1605 -7.1605 -6.1513 -6.1513 -6.1389 -6.1389 -6.1131 -6.1131 2.8284 2.8284 6.4035 6.4035 7.9378 7.9378 8.5207 8.5207 10.0788 10.0788 10.8616 10.8616 11.1263 11.1263 11.8749 11.8749 12.9861 12.9861 13.2497 13.2497 13.2652 13.2652 13.4572 13.4572 14.0601 14.0601 14.3219 14.3219 14.4817 14.4817 14.6040 14.6040 14.7089 14.7089 15.6537 15.6537 15.8181 15.8181 16.8269 16.8269 k = 0.3966 0.3966-0.0000 ( 2188 PWs) bands (ev): -7.1681 -7.1681 -7.1606 -7.1606 -6.1509 -6.1509 -6.1391 -6.1391 -6.1138 -6.1138 2.7918 2.7918 6.3546 6.3546 7.9736 7.9736 8.6230 8.6230 10.0944 10.0944 10.8438 10.8438 11.1444 11.1444 11.8724 11.8724 12.9584 12.9584 13.2445 13.2445 13.2656 13.2656 13.4644 13.4644 14.0766 14.0766 14.3399 14.3399 14.5001 14.5001 14.6024 14.6024 14.6927 14.6927 15.6542 15.6542 15.8427 15.8427 16.7974 16.7974 k = 0.3879 0.3879-0.0000 ( 2186 PWs) bands (ev): -7.1682 -7.1682 -7.1608 -7.1608 -6.1506 -6.1506 -6.1394 -6.1394 -6.1146 -6.1146 2.7528 2.7528 6.3076 6.3076 8.0123 8.0123 8.7268 8.7268 10.1113 10.1113 10.8261 10.8261 11.1643 11.1643 11.8699 11.8699 12.9295 12.9295 13.2228 13.2228 13.2822 13.2822 13.4726 13.4726 14.0920 14.0920 14.3592 14.3592 14.5165 14.5165 14.6029 14.6029 14.6764 14.6764 15.6543 15.6543 15.8687 15.8687 16.7658 16.7658 k = 0.3793 0.3793-0.0000 ( 2174 PWs) bands (ev): -7.1684 -7.1684 -7.1610 -7.1610 -6.1502 -6.1502 -6.1397 -6.1397 -6.1154 -6.1154 2.7115 2.7115 6.2626 6.2626 8.0539 8.0539 8.8315 8.8315 10.1295 10.1295 10.8092 10.8092 11.1861 11.1861 11.8674 11.8674 12.8995 12.8995 13.2000 13.2000 13.3000 13.3000 13.4819 13.4819 14.1057 14.1057 14.3797 14.3797 14.5287 14.5287 14.6068 14.6068 14.6611 14.6611 15.6541 15.6541 15.8959 15.8959 16.7323 16.7323 k = 0.3707 0.3707-0.0000 ( 2174 PWs) bands (ev): -7.1686 -7.1686 -7.1611 -7.1611 -6.1499 -6.1499 -6.1400 -6.1400 -6.1163 -6.1163 2.6681 2.6681 6.2196 6.2196 8.0984 8.0984 8.9367 8.9367 10.1487 10.1487 10.7933 10.7933 11.2094 11.2094 11.8650 11.8650 12.8686 12.8686 13.1759 13.1759 13.3188 13.3188 13.4919 13.4919 14.1173 14.1173 14.4011 14.4011 14.5350 14.5350 14.6132 14.6132 14.6496 14.6496 15.6536 15.6536 15.9240 15.9240 16.6969 16.6969 k = 0.3621 0.3621-0.0000 ( 2174 PWs) bands (ev): -7.1688 -7.1688 -7.1614 -7.1614 -6.1495 -6.1495 -6.1403 -6.1403 -6.1172 -6.1172 2.6228 2.6228 6.1786 6.1786 8.1457 8.1457 9.0420 9.0420 10.1691 10.1691 10.7790 10.7790 11.2343 11.2343 11.8628 11.8628 12.8371 12.8371 13.1508 13.1508 13.3385 13.3385 13.5029 13.5029 14.1263 14.1263 14.4233 14.4233 14.5359 14.5359 14.6131 14.6131 14.6509 14.6509 15.6527 15.6527 15.9528 15.9528 16.6597 16.6597 k = 0.3534 0.3534-0.0000 ( 2172 PWs) bands (ev): -7.1690 -7.1690 -7.1616 -7.1616 -6.1491 -6.1491 -6.1406 -6.1406 -6.1182 -6.1182 2.5758 2.5758 6.1395 6.1395 8.1958 8.1958 9.1470 9.1470 10.1906 10.1906 10.7668 10.7668 11.2607 11.2607 11.8606 11.8606 12.8050 12.8050 13.1249 13.1249 13.3591 13.3591 13.5147 13.5147 14.1324 14.1324 14.4461 14.4461 14.5328 14.5328 14.6042 14.6042 14.6662 14.6662 15.6516 15.6516 15.9819 15.9819 16.6209 16.6209 k = 0.3448 0.3448-0.0000 ( 2172 PWs) bands (ev): -7.1692 -7.1692 -7.1618 -7.1618 -6.1488 -6.1488 -6.1409 -6.1409 -6.1192 -6.1192 2.5273 2.5273 6.1024 6.1024 8.2487 8.2487 9.2512 9.2512 10.2132 10.2132 10.7571 10.7571 11.2885 11.2885 11.8588 11.8588 12.7725 12.7725 13.0982 13.0982 13.3805 13.3805 13.5273 13.5273 14.1353 14.1353 14.4690 14.4690 14.5272 14.5272 14.5946 14.5946 14.6868 14.6868 15.6501 15.6501 16.0109 16.0109 16.5806 16.5806 k = 0.3362 0.3362-0.0000 ( 2180 PWs) bands (ev): -7.1695 -7.1695 -7.1621 -7.1621 -6.1484 -6.1484 -6.1413 -6.1413 -6.1203 -6.1203 2.4775 2.4775 6.0671 6.0671 8.3042 8.3042 9.3540 9.3540 10.2367 10.2367 10.7505 10.7505 11.3177 11.3177 11.8571 11.8571 12.7396 12.7396 13.0708 13.0708 13.4024 13.4024 13.5406 13.5406 14.1348 14.1348 14.4908 14.4908 14.5199 14.5199 14.5876 14.5876 14.7096 14.7096 15.6483 15.6483 16.0396 16.0396 16.5390 16.5390 k = 0.3276 0.3276-0.0000 ( 2180 PWs) bands (ev): -7.1697 -7.1697 -7.1624 -7.1624 -6.1481 -6.1481 -6.1416 -6.1416 -6.1214 -6.1214 2.4266 2.4266 6.0335 6.0335 8.3624 8.3624 9.4549 9.4549 10.2612 10.2612 10.7476 10.7476 11.3481 11.3481 11.8557 11.8557 12.7066 12.7066 13.0428 13.0428 13.4252 13.4252 13.5548 13.5548 14.1308 14.1308 14.5077 14.5077 14.5137 14.5137 14.5862 14.5862 14.7334 14.7334 15.6461 15.6461 16.0677 16.0677 16.4961 16.4961 k = 0.3190 0.3190-0.0000 ( 2178 PWs) bands (ev): -7.1700 -7.1700 -7.1627 -7.1627 -6.1477 -6.1477 -6.1419 -6.1419 -6.1225 -6.1225 2.3748 2.3748 6.0015 6.0015 8.4232 8.4232 9.5533 9.5533 10.2866 10.2866 10.7488 10.7488 11.3796 11.3796 11.8545 11.8545 12.6736 12.6736 13.0144 13.0144 13.4486 13.4486 13.5699 13.5699 14.1235 14.1235 14.5017 14.5017 14.5234 14.5234 14.5937 14.5937 14.7577 14.7577 15.6436 15.6436 16.0950 16.0950 16.4523 16.4523 k = 0.3103 0.3103-0.0000 ( 2181 PWs) bands (ev): -7.1703 -7.1703 -7.1630 -7.1630 -6.1474 -6.1474 -6.1423 -6.1423 -6.1237 -6.1237 2.3222 2.3222 5.9711 5.9711 8.4865 8.4865 9.6485 9.6485 10.3128 10.3128 10.7549 10.7549 11.4122 11.4122 11.8536 11.8536 12.6405 12.6405 12.9854 12.9854 13.4725 13.4725 13.5857 13.5857 14.1131 14.1131 14.4927 14.4927 14.5285 14.5285 14.6106 14.6106 14.7820 14.7820 15.6406 15.6406 16.1213 16.1213 16.4075 16.4075 k = 0.3017 0.3017-0.0000 ( 2177 PWs) bands (ev): -7.1705 -7.1705 -7.1634 -7.1634 -6.1472 -6.1472 -6.1426 -6.1426 -6.1249 -6.1249 2.2692 2.2692 5.9420 5.9420 8.5523 8.5523 9.7398 9.7398 10.3398 10.3398 10.7665 10.7665 11.4458 11.4458 11.8531 11.8531 12.6076 12.6076 12.9561 12.9561 13.4968 13.4968 13.6023 13.6023 14.1000 14.1000 14.4836 14.4836 14.5292 14.5292 14.6340 14.6340 14.8065 14.8065 15.6373 15.6373 16.1465 16.1465 16.3620 16.3620 k = 0.2931 0.2931-0.0000 ( 2181 PWs) bands (ev): -7.1708 -7.1708 -7.1638 -7.1638 -6.1470 -6.1470 -6.1428 -6.1428 -6.1261 -6.1261 2.2159 2.2159 5.9143 5.9143 8.6204 8.6204 9.8263 9.8263 10.3676 10.3676 10.7842 10.7842 11.4803 11.4803 11.8529 11.8529 12.5747 12.5747 12.9265 12.9265 13.5214 13.5214 13.6196 13.6196 14.0847 14.0847 14.4744 14.4744 14.5280 14.5280 14.6606 14.6606 14.8308 14.8308 15.6334 15.6334 16.1704 16.1704 16.3159 16.3159 k = 0.2845 0.2845-0.0000 ( 2179 PWs) bands (ev): -7.1711 -7.1711 -7.1642 -7.1642 -6.1469 -6.1469 -6.1430 -6.1430 -6.1273 -6.1273 2.1624 2.1624 5.8877 5.8877 8.6909 8.6909 9.9074 9.9074 10.3959 10.3959 10.8086 10.8086 11.5156 11.5156 11.8531 11.8531 12.5422 12.5422 12.8965 12.8965 13.5461 13.5461 13.6379 13.6379 14.0680 14.0680 14.4654 14.4654 14.5261 14.5261 14.6892 14.6892 14.8548 14.8548 15.6291 15.6291 16.1926 16.1926 16.2699 16.2699 k = 0.2759 0.2759-0.0000 ( 2185 PWs) bands (ev): -7.1714 -7.1714 -7.1646 -7.1646 -6.1469 -6.1469 -6.1432 -6.1432 -6.1286 -6.1286 2.1089 2.1089 5.8623 5.8623 8.7636 8.7636 9.9825 9.9825 10.4249 10.4249 10.8401 10.8401 11.5514 11.5514 11.8536 11.8536 12.5100 12.5100 12.8664 12.8664 13.5709 13.5709 13.6568 13.6568 14.0500 14.0500 14.4565 14.4565 14.5238 14.5238 14.7188 14.7188 14.8786 14.8786 15.6242 15.6242 16.2087 16.2087 16.2284 16.2284 k = 0.2672 0.2672-0.0000 ( 2185 PWs) bands (ev): -7.1717 -7.1717 -7.1651 -7.1651 -6.1471 -6.1471 -6.1432 -6.1432 -6.1298 -6.1298 2.0556 2.0556 5.8379 5.8379 8.8384 8.8384 10.0511 10.0511 10.4543 10.4543 10.8789 10.8789 11.5878 11.5878 11.8546 11.8546 12.4782 12.4782 12.8360 12.8360 13.5956 13.5956 13.6766 13.6766 14.0321 14.0321 14.4477 14.4477 14.5213 14.5213 14.7492 14.7492 14.9020 14.9020 15.6188 15.6188 16.1734 16.1734 16.2368 16.2368 k = 0.2586 0.2586-0.0000 ( 2185 PWs) bands (ev): -7.1720 -7.1720 -7.1656 -7.1656 -6.1473 -6.1473 -6.1432 -6.1432 -6.1311 -6.1311 2.0027 2.0027 5.8144 5.8144 8.9152 8.9152 10.1134 10.1134 10.4843 10.4843 10.9247 10.9247 11.6245 11.6245 11.8560 11.8560 12.4468 12.4468 12.8056 12.8056 13.6202 13.6202 13.6973 13.6973 14.0146 14.0146 14.4389 14.4389 14.5184 14.5184 14.7801 14.7801 14.9249 14.9249 15.6128 15.6128 16.1270 16.1270 16.2551 16.2551 k = 0.2500 0.2500-0.0000 ( 2201 PWs) bands (ev): -7.1724 -7.1724 -7.1661 -7.1661 -6.1476 -6.1476 -6.1431 -6.1431 -6.1324 -6.1324 1.9503 1.9503 5.7918 5.7918 8.9940 8.9940 10.1695 10.1695 10.5145 10.5145 10.9769 10.9769 11.6614 11.6614 11.8577 11.8577 12.4158 12.4158 12.7749 12.7749 13.6442 13.6442 13.7188 13.7188 13.9980 13.9980 14.4301 14.4301 14.5150 14.5150 14.8111 14.8111 14.9473 14.9473 15.6060 15.6060 16.0803 16.0803 16.2727 16.2727 k = 0.2414 0.2414-0.0000 ( 2189 PWs) bands (ev): -7.1727 -7.1727 -7.1666 -7.1666 -6.1479 -6.1479 -6.1430 -6.1430 -6.1337 -6.1337 1.8986 1.8986 5.7700 5.7700 9.0747 9.0747 10.2205 10.2205 10.5451 10.5451 11.0344 11.0344 11.6982 11.6982 11.8600 11.8600 12.3856 12.3856 12.7445 12.7445 13.6678 13.6678 13.7413 13.7413 13.9829 13.9829 14.4214 14.4214 14.5112 14.5112 14.8426 14.8426 14.9694 14.9694 15.5988 15.5988 16.0339 16.0339 16.2895 16.2895 k = 0.2328 0.2328-0.0000 ( 2181 PWs) bands (ev): -7.1730 -7.1730 -7.1671 -7.1671 -6.1483 -6.1483 -6.1428 -6.1428 -6.1349 -6.1349 1.8476 1.8476 5.7490 5.7490 9.1571 9.1571 10.2669 10.2669 10.5759 10.5759 11.0960 11.0960 11.7347 11.7347 11.8630 11.8630 12.3560 12.3560 12.7140 12.7140 13.6906 13.6906 13.7646 13.7646 13.9699 13.9699 14.4128 14.4128 14.5069 14.5069 14.8740 14.8740 14.9909 14.9909 15.5910 15.5910 15.9879 15.9879 16.3055 16.3055 k = 0.2241 0.2241-0.0000 ( 2181 PWs) bands (ev): -7.1733 -7.1733 -7.1677 -7.1677 -6.1488 -6.1488 -6.1427 -6.1427 -6.1362 -6.1362 1.7976 1.7976 5.7287 5.7287 9.2410 9.2410 10.3099 10.3099 10.6068 10.6068 11.1604 11.1604 11.7702 11.7702 11.8668 11.8668 12.3270 12.3270 12.6834 12.6834 13.7126 13.7126 13.7886 13.7886 13.9596 13.9596 14.4043 14.4043 14.5018 14.5018 14.9053 14.9053 15.0117 15.0117 15.5824 15.5824 15.9424 15.9424 16.3209 16.3209 k = 0.2155 0.2155-0.0000 ( 2181 PWs) bands (ev): -7.1737 -7.1737 -7.1682 -7.1682 -6.1493 -6.1493 -6.1425 -6.1425 -6.1374 -6.1374 1.7486 1.7486 5.7091 5.7091 9.3265 9.3265 10.3504 10.3504 10.6377 10.6377 11.2261 11.2261 11.8040 11.8040 11.8723 11.8723 12.2988 12.2988 12.6529 12.6529 13.7336 13.7336 13.8133 13.8133 13.9524 13.9524 14.3958 14.3958 14.4959 14.4959 14.9364 14.9364 15.0319 15.0319 15.5730 15.5730 15.8975 15.8975 16.3358 16.3358 k = 0.2069 0.2069-0.0000 ( 2175 PWs) bands (ev): -7.1740 -7.1740 -7.1688 -7.1688 -6.1497 -6.1497 -6.1424 -6.1424 -6.1386 -6.1386 1.7007 1.7007 5.6901 5.6901 9.4133 9.4133 10.3891 10.3891 10.6687 10.6687 11.2921 11.2921 11.8333 11.8333 11.8818 11.8818 12.2713 12.2713 12.6224 12.6224 13.7537 13.7537 13.8384 13.8384 13.9490 13.9490 14.3875 14.3875 14.4894 14.4894 14.9671 14.9671 15.0516 15.0516 15.5630 15.5630 15.8536 15.8536 16.3505 16.3505 k = 0.1983 0.1983-0.0000 ( 2173 PWs) bands (ev): -7.1743 -7.1743 -7.1694 -7.1694 -6.1502 -6.1502 -6.1425 -6.1425 -6.1397 -6.1397 1.6541 1.6541 5.6717 5.6717 9.5012 9.5012 10.4269 10.4269 10.6995 10.6995 11.3571 11.3571 11.8532 11.8532 11.9002 11.9002 12.2446 12.2446 12.5921 12.5921 13.7726 13.7726 13.8637 13.8637 13.9496 13.9496 14.3792 14.3792 14.4820 14.4820 14.9973 14.9973 15.0705 15.0705 15.5523 15.5523 15.8108 15.8108 16.3651 16.3651 k = 0.1897 0.1897-0.0000 ( 2165 PWs) bands (ev): -7.1746 -7.1746 -7.1700 -7.1700 -6.1507 -6.1507 -6.1427 -6.1427 -6.1405 -6.1405 1.6088 1.6088 5.6540 5.6540 9.5902 9.5902 10.4641 10.4641 10.7301 10.7301 11.4203 11.4203 11.8638 11.8638 11.9270 11.9270 12.2189 12.2189 12.5620 12.5620 13.7906 13.7906 13.8887 13.8887 13.9547 13.9547 14.3712 14.3712 14.4740 14.4740 15.0271 15.0271 15.0889 15.0889 15.5411 15.5411 15.7690 15.7690 16.3800 16.3800 k = 0.1810 0.1810-0.0000 ( 2173 PWs) bands (ev): -7.1749 -7.1749 -7.1706 -7.1706 -6.1512 -6.1512 -6.1434 -6.1434 -6.1410 -6.1410 1.5650 1.5650 5.6369 5.6369 9.6799 9.6799 10.5012 10.5012 10.7603 10.7603 11.4807 11.4807 11.8703 11.8703 11.9566 11.9566 12.1940 12.1940 12.5319 12.5319 13.8079 13.8079 13.9131 13.9131 13.9643 13.9643 14.3633 14.3633 14.4652 14.4652 15.0561 15.0561 15.1065 15.1065 15.5290 15.5290 15.7284 15.7284 16.3952 16.3952 k = 0.1724 0.1724-0.0000 ( 2173 PWs) bands (ev): -7.1753 -7.1753 -7.1712 -7.1712 -6.1517 -6.1517 -6.1443 -6.1443 -6.1411 -6.1411 1.5227 1.5227 5.6204 5.6204 9.7704 9.7704 10.5384 10.5384 10.7901 10.7901 11.5380 11.5380 11.8754 11.8754 11.9861 11.9861 12.1700 12.1700 12.5021 12.5021 13.8250 13.8250 13.9365 13.9365 13.9784 13.9784 14.3556 14.3556 14.4556 14.4556 15.0843 15.0843 15.1237 15.1237 15.5164 15.5164 15.6893 15.6893 16.4111 16.4111 k = 0.1638 0.1638-0.0000 ( 2169 PWs) bands (ev): -7.1756 -7.1756 -7.1718 -7.1718 -6.1522 -6.1522 -6.1454 -6.1454 -6.1411 -6.1411 1.4821 1.4821 5.6046 5.6046 9.8613 9.8613 10.5759 10.5759 10.8195 10.8195 11.5917 11.5917 11.8800 11.8800 12.0143 12.0143 12.1471 12.1471 12.4724 12.4724 13.8427 13.8427 13.9589 13.9589 13.9966 13.9966 14.3481 14.3481 14.4455 14.4455 15.1112 15.1112 15.1403 15.1403 15.5033 15.5033 15.6518 15.6518 16.4279 16.4279 k = 0.1552 0.1552-0.0000 ( 2169 PWs) bands (ev): -7.1759 -7.1759 -7.1724 -7.1724 -6.1527 -6.1527 -6.1465 -6.1465 -6.1410 -6.1410 1.4431 1.4431 5.5893 5.5893 9.9524 9.9524 10.6138 10.6138 10.8482 10.8482 11.6412 11.6412 11.8843 11.8843 12.0407 12.0407 12.1252 12.1252 12.4431 12.4431 13.8611 13.8611 13.9804 13.9804 14.0177 14.0177 14.3408 14.3408 14.4349 14.4349 15.1365 15.1365 15.1570 15.1570 15.4897 15.4897 15.6158 15.6158 16.4457 16.4457 k = 0.1466 0.1466-0.0000 ( 2173 PWs) bands (ev): -7.1761 -7.1761 -7.1730 -7.1730 -6.1532 -6.1532 -6.1476 -6.1476 -6.1409 -6.1409 1.4058 1.4058 5.5747 5.5747 10.0435 10.0435 10.6521 10.6521 10.8761 10.8761 11.6864 11.6864 11.8884 11.8884 12.0645 12.0645 12.1048 12.1048 12.4140 12.4140 13.8808 13.8808 14.0014 14.0014 14.0404 14.0404 14.3337 14.3337 14.4238 14.4238 15.1587 15.1587 15.1749 15.1749 15.4759 15.4759 15.5817 15.5817 16.4646 16.4646 k = 0.1379 0.1379-0.0000 ( 2173 PWs) bands (ev): -7.1764 -7.1764 -7.1735 -7.1735 -6.1536 -6.1536 -6.1486 -6.1486 -6.1409 -6.1409 1.3704 1.3704 5.5608 5.5608 10.1343 10.1343 10.6907 10.6907 10.9033 10.9033 11.7271 11.7271 11.8924 11.8924 12.0787 12.0787 12.0926 12.0926 12.3852 12.3852 13.9020 13.9020 14.0223 14.0223 14.0639 14.0639 14.3269 14.3269 14.4125 14.4125 15.1764 15.1764 15.1953 15.1953 15.4619 15.4619 15.5494 15.5494 16.4849 16.4849 k = 0.1293 0.1293-0.0000 ( 2173 PWs) bands (ev): -7.1767 -7.1767 -7.1741 -7.1741 -6.1541 -6.1541 -6.1496 -6.1496 -6.1408 -6.1408 1.3369 1.3369 5.5476 5.5476 10.2246 10.2246 10.7296 10.7296 10.9295 10.9295 11.7633 11.7633 11.8962 11.8962 12.0638 12.0638 12.1078 12.1078 12.3569 12.3569 13.9247 13.9247 14.0432 14.0432 14.0875 14.0875 14.3203 14.3203 14.4010 14.4010 15.1909 15.1909 15.2168 15.2168 15.4480 15.4480 15.5191 15.5191 16.5065 16.5065 k = 0.1207 0.1207-0.0000 ( 2177 PWs) bands (ev): -7.1769 -7.1769 -7.1746 -7.1746 -6.1545 -6.1545 -6.1506 -6.1506 -6.1408 -6.1408 1.3053 1.3053 5.5351 5.5351 10.3139 10.3139 10.7686 10.7686 10.9548 10.9548 11.7951 11.7951 11.9000 11.9000 12.0465 12.0465 12.1235 12.1235 12.3291 12.3291 13.9487 13.9487 14.0639 14.0639 14.1108 14.1108 14.3140 14.3140 14.3896 14.3896 15.2036 15.2036 15.2377 15.2377 15.4342 15.4342 15.4909 15.4909 16.5294 16.5294 k = 0.1121 0.1121-0.0000 ( 2173 PWs) bands (ev): -7.1772 -7.1772 -7.1751 -7.1751 -6.1549 -6.1549 -6.1515 -6.1515 -6.1407 -6.1407 1.2756 1.2756 5.5233 5.5233 10.4019 10.4019 10.8075 10.8075 10.9789 10.9789 11.8228 11.8228 11.9035 11.9035 12.0300 12.0300 12.1364 12.1364 12.3018 12.3018 13.9738 13.9738 14.0843 14.0843 14.1336 14.1336 14.3079 14.3079 14.3783 14.3783 15.2149 15.2149 15.2572 15.2572 15.4210 15.4210 15.4650 15.4650 16.5534 16.5534 k = 0.1034 0.1034-0.0000 ( 2169 PWs) bands (ev): -7.1774 -7.1774 -7.1756 -7.1756 -6.1553 -6.1553 -6.1524 -6.1524 -6.1407 -6.1407 1.2480 1.2480 5.5123 5.5123 10.4883 10.4883 10.8460 10.8460 11.0018 11.0018 11.8464 11.8464 11.9069 11.9069 12.0146 12.0146 12.1460 12.1460 12.2753 12.2753 13.9996 13.9996 14.1039 14.1039 14.1555 14.1555 14.3021 14.3021 14.3675 14.3675 15.2252 15.2252 15.2749 15.2749 15.4086 15.4086 15.4417 15.4417 16.5782 16.5782 k = 0.0948 0.0948-0.0000 ( 2169 PWs) bands (ev): -7.1776 -7.1776 -7.1761 -7.1761 -6.1557 -6.1557 -6.1532 -6.1532 -6.1406 -6.1406 1.2225 1.2225 5.5020 5.5020 10.5725 10.5725 10.8840 10.8840 11.0233 11.0233 11.8661 11.8661 11.9102 11.9102 12.0003 12.0003 12.1523 12.1523 12.2496 12.2496 14.0256 14.0256 14.1226 14.1226 14.1764 14.1764 14.2967 14.2967 14.3572 14.3572 15.2343 15.2343 15.2901 15.2901 15.3971 15.3971 15.4216 15.4216 16.6031 16.6031 k = 0.0862 0.0862-0.0000 ( 2165 PWs) bands (ev): -7.1778 -7.1778 -7.1765 -7.1765 -6.1560 -6.1560 -6.1539 -6.1539 -6.1406 -6.1406 1.1991 1.1991 5.4926 5.4926 10.6540 10.6540 10.9210 10.9210 11.0435 11.0435 11.8822 11.8822 11.9133 11.9133 11.9872 11.9872 12.1552 12.1552 12.2250 12.2250 14.0513 14.0513 14.1399 14.1399 14.1961 14.1961 14.2918 14.2918 14.3477 14.3477 15.2423 15.2423 15.3021 15.3021 15.3857 15.3857 15.4062 15.4062 16.6273 16.6273 k = 0.0776 0.0776-0.0000 ( 2161 PWs) bands (ev): -7.1780 -7.1780 -7.1770 -7.1770 -6.1563 -6.1563 -6.1546 -6.1546 -6.1406 -6.1406 1.1778 1.1778 5.4840 5.4840 10.7322 10.7322 10.9568 10.9568 11.0622 11.0622 11.8948 11.8948 11.9164 11.9164 11.9754 11.9754 12.1549 12.1549 12.2018 12.2018 14.0763 14.0763 14.1556 14.1556 14.2144 14.2144 14.2875 14.2875 14.3392 14.3392 15.2490 15.2490 15.3100 15.3100 15.3735 15.3735 15.3978 15.3978 16.6495 16.6495 k = 0.0690 0.0690-0.0000 ( 2153 PWs) bands (ev): -7.1782 -7.1782 -7.1773 -7.1773 -6.1566 -6.1566 -6.1553 -6.1553 -6.1405 -6.1405 1.1587 1.1587 5.4762 5.4762 10.8064 10.8064 10.9909 10.9909 11.0794 11.0794 11.9042 11.9042 11.9194 11.9194 11.9648 11.9648 12.1516 12.1516 12.1801 12.1801 14.1000 14.1000 14.1692 14.1692 14.2312 14.2312 14.2841 14.2841 14.3318 14.3318 15.2543 15.2543 15.3139 15.3139 15.3608 15.3608 15.3961 15.3961 16.6680 16.6680 k = 0.0603 0.0603-0.0000 ( 2151 PWs) bands (ev): -7.1783 -7.1783 -7.1777 -7.1777 -6.1569 -6.1569 -6.1558 -6.1558 -6.1405 -6.1405 1.1417 1.1417 5.4693 5.4693 10.8758 10.8758 11.0228 11.0228 11.0950 11.0950 11.9107 11.9107 11.9224 11.9224 11.9554 11.9554 12.1456 12.1456 12.1604 12.1604 14.1220 14.1220 14.1803 14.1803 14.2462 14.2462 14.2819 14.2819 14.3256 14.3256 15.2580 15.2580 15.3145 15.3145 15.3491 15.3491 15.3989 15.3989 16.6815 16.6815 k = 0.0517 0.0517-0.0000 ( 2141 PWs) bands (ev): -7.1784 -7.1784 -7.1779 -7.1779 -6.1571 -6.1571 -6.1563 -6.1563 -6.1405 -6.1405 1.1270 1.1270 5.4633 5.4633 10.9392 10.9392 11.0521 11.0521 11.1090 11.1090 11.9149 11.9149 11.9248 11.9248 11.9473 11.9473 12.1375 12.1375 12.1429 12.1429 14.1420 14.1420 14.1888 14.1888 14.2592 14.2592 14.2811 14.2811 14.3207 14.3207 15.2602 15.2602 15.3138 15.3138 15.3390 15.3390 15.4041 15.4041 16.6889 16.6889 k = 0.0431 0.0431-0.0000 ( 2141 PWs) bands (ev): -7.1785 -7.1785 -7.1782 -7.1782 -6.1573 -6.1573 -6.1567 -6.1567 -6.1405 -6.1405 1.1145 1.1145 5.4581 5.4581 10.9954 10.9954 11.0783 11.0783 11.1215 11.1215 11.9176 11.9176 11.9261 11.9261 11.9407 11.9407 12.1277 12.1277 12.1282 12.1282 14.1594 14.1594 14.1945 14.1945 14.2699 14.2699 14.2817 14.2817 14.3173 14.3173 15.2607 15.2607 15.3128 15.3128 15.3306 15.3306 15.4100 15.4100 16.6906 16.6906 k = 0.0345 0.0345-0.0000 ( 2135 PWs) bands (ev): -7.1786 -7.1786 -7.1784 -7.1784 -6.1574 -6.1574 -6.1571 -6.1571 -6.1405 -6.1405 1.1042 1.1042 5.4539 5.4539 11.0428 11.0428 11.1014 11.1014 11.1325 11.1325 11.9193 11.9193 11.9261 11.9261 11.9355 11.9355 12.1156 12.1156 12.1182 12.1182 14.1740 14.1740 14.1979 14.1979 14.2780 14.2780 14.2834 14.2834 14.3155 14.3155 15.2603 15.2603 15.3123 15.3123 15.3240 15.3240 15.4155 15.4155 16.6882 16.6882 k = 0.0259 0.0259-0.0000 ( 2135 PWs) bands (ev): -7.1787 -7.1787 -7.1786 -7.1786 -6.1575 -6.1575 -6.1574 -6.1574 -6.1405 -6.1405 1.0963 1.0963 5.4506 5.4506 11.0791 11.0791 11.1215 11.1215 11.1422 11.1422 11.9205 11.9205 11.9249 11.9249 11.9321 11.9321 12.1061 12.1061 12.1088 12.1088 14.1855 14.1855 14.1997 14.1997 14.2834 14.2834 14.2856 14.2856 14.3152 14.3152 15.2592 15.2592 15.3122 15.3122 15.3189 15.3189 15.4202 15.4202 16.6837 16.6837 k = 0.0172 0.0172-0.0000 ( 2117 PWs) bands (ev): -7.1787 -7.1787 -7.1787 -7.1787 -6.1576 -6.1576 -6.1575 -6.1575 -6.1405 -6.1405 1.0906 1.0906 5.4483 5.4483 11.1022 11.1022 11.1393 11.1393 11.1500 11.1500 11.9211 11.9211 11.9233 11.9233 11.9301 11.9301 12.0996 12.0996 12.1012 12.1012 14.1940 14.1940 14.2005 14.2005 14.2866 14.2866 14.2876 14.2876 14.3160 14.3160 15.2582 15.2582 15.3125 15.3125 15.3155 15.3155 15.4240 15.4240 16.6791 16.6791 k = 0.0086 0.0086-0.0000 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0871 1.0871 5.4469 5.4469 11.1138 11.1138 11.1524 11.1524 11.1553 11.1553 11.9214 11.9214 11.9219 11.9219 11.9292 11.9292 12.0957 12.0957 12.0962 12.0962 14.1991 14.1991 14.2008 14.2008 14.2884 14.2884 14.2887 14.2887 14.3170 14.3170 15.2574 15.2574 15.3127 15.3127 15.3135 15.3135 15.4262 15.4262 16.6757 16.6757 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0860 1.0860 5.4464 5.4464 11.1172 11.1172 11.1572 11.1572 11.1572 11.1572 11.9214 11.9214 11.9214 11.9214 11.9288 11.9288 12.0944 12.0944 12.0944 12.0944 14.2008 14.2008 14.2008 14.2008 14.2890 14.2890 14.2890 14.2890 14.3174 14.3174 15.2571 15.2571 15.3128 15.3128 15.3128 15.3128 15.4270 15.4270 16.6745 16.6745 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0860 1.0860 5.4464 5.4464 11.1172 11.1172 11.1572 11.1572 11.1572 11.1572 11.9214 11.9214 11.9214 11.9214 11.9288 11.9288 12.0944 12.0944 12.0944 12.0944 14.2008 14.2008 14.2008 14.2008 14.2890 14.2890 14.2890 14.2890 14.3174 14.3174 15.2571 15.2571 15.3128 15.3128 15.3128 15.3128 15.4270 15.4270 16.6745 16.6745 k = 0.0070 0.0070 0.0070 ( 2109 PWs) bands (ev): -7.1788 -7.1788 -7.1788 -7.1788 -6.1577 -6.1577 -6.1577 -6.1577 -6.1405 -6.1405 1.0871 1.0871 5.4469 5.4469 11.1139 11.1139 11.1526 11.1526 11.1550 11.1550 11.9213 11.9213 11.9220 11.9220 11.9292 11.9292 12.0959 12.0959 12.0960 12.0960 14.1991 14.1991 14.2008 14.2008 14.2884 14.2884 14.2887 14.2887 14.3170 14.3170 15.2574 15.2574 15.3127 15.3127 15.3135 15.3135 15.4262 15.4262 16.6757 16.6757 k = 0.0141 0.0141 0.0141 ( 2121 PWs) bands (ev): -7.1787 -7.1787 -7.1787 -7.1787 -6.1576 -6.1576 -6.1576 -6.1576 -6.1405 -6.1405 1.0906 1.0906 5.4483 5.4483 11.1032 11.1032 11.1391 11.1391 11.1491 11.1491 11.9209 11.9209 11.9235 11.9235 11.9301 11.9301 12.1004 12.1004 12.1005 12.1005 14.1939 14.1939 14.2006 14.2006 14.2868 14.2868 14.2873 14.2873 14.3161 14.3161 15.2581 15.2581 15.3122 15.3122 15.3156 15.3156 15.4240 15.4240 16.6790 16.6790 k = 0.0211 0.0211 0.0211 ( 2133 PWs) bands (ev): -7.1787 -7.1787 -7.1786 -7.1786 -6.1575 -6.1575 -6.1574 -6.1574 -6.1405 -6.1405 1.0963 1.0963 5.4507 5.4507 11.0842 11.0842 11.1172 11.1172 11.1410 11.1410 11.9197 11.9197 11.9258 11.9258 11.9318 11.9318 12.1075 12.1075 12.1079 12.1079 14.1853 14.1853 14.1998 14.1998 14.2841 14.2841 14.2846 14.2846 14.3157 14.3157 15.2590 15.2590 15.3119 15.3119 15.3194 15.3194 15.4203 15.4203 16.6833 16.6833 k = 0.0282 0.0282 0.0282 ( 2139 PWs) bands (ev): -7.1786 -7.1786 -7.1784 -7.1784 -6.1573 -6.1573 -6.1572 -6.1572 -6.1405 -6.1405 1.1042 1.1042 5.4540 5.4540 11.0568 11.0568 11.0875 11.0875 11.1316 11.1316 11.9177 11.9177 11.9286 11.9286 11.9341 11.9341 12.1171 12.1171 12.1177 12.1177 14.1736 14.1736 14.1979 14.1979 14.2781 14.2781 14.2826 14.2826 14.3169 14.3169 15.2596 15.2596 15.3122 15.3122 15.3247 15.3247 15.4155 15.4155 16.6871 16.6871 k = 0.0352 0.0352 0.0352 ( 2139 PWs) bands (ev): -7.1785 -7.1785 -7.1783 -7.1783 -6.1571 -6.1571 -6.1569 -6.1569 -6.1405 -6.1405 1.1145 1.1145 5.4582 5.4582 11.0218 11.0218 11.0508 11.0508 11.1211 11.1211 11.9148 11.9148 11.9316 11.9316 11.9366 11.9366 12.1288 12.1288 12.1295 12.1295 14.1591 14.1591 14.1940 14.1940 14.2691 14.2691 14.2814 14.2814 14.3197 14.3197 15.2588 15.2588 15.3139 15.3139 15.3317 15.3317 15.4100 15.4100 16.6880 16.6880 k = 0.0423 0.0423 0.0423 ( 2139 PWs) bands (ev): -7.1783 -7.1783 -7.1780 -7.1780 -6.1569 -6.1569 -6.1565 -6.1565 -6.1405 -6.1405 1.1270 1.1270 5.4635 5.4635 10.9802 10.9802 11.0081 11.0081 11.1091 11.1091 11.9106 11.9106 11.9347 11.9347 11.9392 11.9392 12.1419 12.1419 12.1428 12.1428 14.1420 14.1420 14.1877 14.1877 14.2574 14.2574 14.2818 14.2818 14.3241 14.3241 15.2555 15.2555 15.3178 15.3178 15.3403 15.3403 15.4039 15.4039 16.6836 16.6836 k = 0.0493 0.0493 0.0493 ( 2139 PWs) bands (ev): -7.1782 -7.1782 -7.1778 -7.1778 -6.1566 -6.1566 -6.1561 -6.1561 -6.1405 -6.1405 1.1418 1.1418 5.4697 5.4697 10.9330 10.9330 10.9601 10.9601 11.0957 11.0957 11.9051 11.9051 11.9374 11.9374 11.9415 11.9415 12.1563 12.1563 12.1572 12.1572 14.1229 14.1229 14.1788 14.1788 14.2434 14.2434 14.2839 14.2839 14.3294 14.3294 15.2491 15.2491 15.3242 15.3242 15.3506 15.3506 15.3976 15.3976 16.6723 16.6723 k = 0.0563 0.0563 0.0563 ( 2157 PWs) bands (ev): -7.1780 -7.1780 -7.1775 -7.1775 -6.1562 -6.1562 -6.1556 -6.1556 -6.1405 -6.1405 1.1588 1.1588 5.4768 5.4768 10.8812 10.8812 10.9076 10.9076 11.0807 11.0807 11.8979 11.8979 11.9397 11.9397 11.9434 11.9434 12.1712 12.1712 12.1720 12.1720 14.1021 14.1021 14.1673 14.1673 14.2274 14.2274 14.2874 14.2874 14.3352 14.3352 15.2391 15.2391 15.3329 15.3329 15.3623 15.3623 15.3913 15.3913 16.6538 16.6538 k = 0.0634 0.0634 0.0634 ( 2157 PWs) bands (ev): -7.1778 -7.1778 -7.1771 -7.1771 -6.1558 -6.1558 -6.1551 -6.1551 -6.1406 -6.1406 1.1781 1.1781 5.4850 5.4850 10.8255 10.8255 10.8513 10.8513 11.0642 11.0642 11.8890 11.8890 11.9415 11.9415 11.9447 11.9447 12.1867 12.1867 12.1873 12.1873 14.0801 14.0801 14.1539 14.1539 14.2100 14.2100 14.2922 14.2922 14.3414 14.3414 15.2260 15.2260 15.3440 15.3440 15.3760 15.3760 15.3856 15.3856 16.6296 16.6296 k = 0.0704 0.0704 0.0704 ( 2166 PWs) bands (ev): -7.1776 -7.1776 -7.1768 -7.1768 -6.1554 -6.1554 -6.1545 -6.1545 -6.1406 -6.1406 1.1995 1.1995 5.4941 5.4941 10.7665 10.7665 10.7918 10.7918 11.0462 11.0462 11.8779 11.8779 11.9425 11.9425 11.9451 11.9451 12.2024 12.2024 12.2026 12.2026 14.0574 14.0574 14.1390 14.1390 14.1913 14.1913 14.2976 14.2976 14.3477 14.3477 15.2094 15.2094 15.3562 15.3562 15.3814 15.3814 15.3913 15.3913 16.6012 16.6012 k = 0.0775 0.0775 0.0775 ( 2166 PWs) bands (ev): -7.1773 -7.1773 -7.1764 -7.1764 -6.1549 -6.1549 -6.1539 -6.1539 -6.1406 -6.1406 1.2231 1.2231 5.5042 5.5042 10.7048 10.7048 10.7296 10.7296 11.0267 11.0267 11.8645 11.8645 11.9426 11.9426 11.9445 11.9445 12.2180 12.2180 12.2183 12.2183 14.0344 14.0344 14.1233 14.1233 14.1718 14.1718 14.3034 14.3034 14.3537 14.3537 15.1901 15.1901 15.3652 15.3652 15.3828 15.3828 15.4082 15.4082 16.5706 16.5706 k = 0.0845 0.0845 0.0845 ( 2172 PWs) bands (ev): -7.1771 -7.1771 -7.1759 -7.1759 -6.1544 -6.1544 -6.1532 -6.1532 -6.1407 -6.1407 1.2488 1.2488 5.5153 5.5153 10.6409 10.6409 10.6652 10.6652 11.0057 11.0057 11.8485 11.8485 11.9416 11.9416 11.9427 11.9427 12.2334 12.2334 12.2343 12.2343 14.0114 14.0114 14.1071 14.1071 14.1518 14.1518 14.3091 14.3091 14.3593 14.3593 15.1680 15.1680 15.3650 15.3650 15.3956 15.3956 15.4267 15.4267 16.5392 16.5392 k = 0.0915 0.0915 0.0915 ( 2175 PWs) bands (ev): -7.1768 -7.1768 -7.1755 -7.1755 -6.1539 -6.1539 -6.1525 -6.1525 -6.1407 -6.1407 1.2766 1.2766 5.5274 5.5274 10.5752 10.5752 10.5990 10.5990 10.9833 10.9833 11.8298 11.8298 11.9394 11.9394 11.9394 11.9394 12.2489 12.2489 12.2506 12.2506 13.9889 13.9889 14.0907 14.0907 14.1315 14.1315 14.3145 14.3145 14.3643 14.3643 15.1433 15.1433 15.3618 15.3618 15.4132 15.4132 15.4465 15.4465 16.5081 16.5081 k = 0.0986 0.0986 0.0986 ( 2175 PWs) bands (ev): -7.1765 -7.1765 -7.1750 -7.1750 -6.1533 -6.1533 -6.1517 -6.1517 -6.1408 -6.1408 1.3066 1.3066 5.5406 5.5406 10.5080 10.5080 10.5313 10.5313 10.9593 10.9593 11.8084 11.8084 11.9346 11.9346 11.9358 11.9358 12.2646 12.2646 12.2671 12.2671 13.9671 13.9671 14.0745 14.0745 14.1114 14.1114 14.3195 14.3195 14.3686 14.3686 15.1163 15.1163 15.3583 15.3583 15.4329 15.4329 15.4675 15.4675 16.4780 16.4780 k = 0.1056 0.1056 0.1056 ( 2175 PWs) bands (ev): -7.1762 -7.1762 -7.1745 -7.1745 -6.1528 -6.1528 -6.1509 -6.1509 -6.1409 -6.1409 1.3386 1.3386 5.5548 5.5548 10.4397 10.4397 10.4624 10.4624 10.9339 10.9339 11.7840 11.7840 11.9279 11.9279 11.9307 11.9307 12.2807 12.2807 12.2840 12.2840 13.9463 13.9463 14.0587 14.0587 14.0918 14.0918 14.3239 14.3239 14.3722 14.3722 15.0872 15.0872 15.3549 15.3549 15.4538 15.4538 15.4895 15.4895 16.4494 16.4494 k = 0.1127 0.1127 0.1127 ( 2169 PWs) bands (ev): -7.1759 -7.1759 -7.1740 -7.1740 -6.1521 -6.1521 -6.1500 -6.1500 -6.1410 -6.1410 1.3726 1.3726 5.5700 5.5700 10.3706 10.3706 10.3926 10.3926 10.9068 10.9068 11.7568 11.7568 11.9194 11.9194 11.9241 11.9241 12.2973 12.2973 12.3014 12.3014 13.9267 13.9267 14.0435 14.0435 14.0728 14.0728 14.3277 14.3277 14.3750 14.3750 15.0563 15.0563 15.3516 15.3516 15.4757 15.4757 15.5124 15.5124 16.4227 16.4227 k = 0.1197 0.1197 0.1197 ( 2172 PWs) bands (ev): -7.1756 -7.1756 -7.1735 -7.1735 -6.1515 -6.1515 -6.1491 -6.1491 -6.1411 -6.1411 1.4086 1.4086 5.5863 5.5863 10.3009 10.3009 10.3223 10.3223 10.8779 10.8779 11.7268 11.7268 11.9089 11.9089 11.9157 11.9157 12.3145 12.3145 12.3194 12.3194 13.9083 13.9083 14.0288 14.0288 14.0545 14.0545 14.3308 14.3308 14.3770 14.3770 15.0235 15.0235 15.3485 15.3485 15.4982 15.4982 15.5358 15.5358 16.3980 16.3980 k = 0.1268 0.1268 0.1268 ( 2172 PWs) bands (ev): -7.1752 -7.1752 -7.1730 -7.1730 -6.1508 -6.1508 -6.1482 -6.1482 -6.1412 -6.1412 1.4465 1.4465 5.6037 5.6037 10.2308 10.2308 10.2515 10.2515 10.8472 10.8472 11.6942 11.6942 11.8964 11.8964 11.9057 11.9057 12.3324 12.3324 12.3381 12.3381 13.8914 13.8914 14.0150 14.0150 14.0375 14.0375 14.3334 14.3334 14.3782 14.3782 14.9892 14.9892 15.3455 15.3455 15.5210 15.5210 15.5596 15.5596 16.3756 16.3756 k = 0.1338 0.1338 0.1338 ( 2166 PWs) bands (ev): -7.1749 -7.1749 -7.1724 -7.1724 -6.1502 -6.1502 -6.1472 -6.1472 -6.1413 -6.1413 1.4864 1.4864 5.6221 5.6221 10.1605 10.1605 10.1805 10.1805 10.8144 10.8144 11.6594 11.6594 11.8820 11.8820 11.8941 11.8941 12.3512 12.3512 12.3575 12.3575 13.8760 13.8760 14.0019 14.0019 14.0216 14.0216 14.3354 14.3354 14.3788 14.3788 14.9536 14.9536 15.3426 15.3426 15.5439 15.5439 15.5834 15.5834 16.3554 16.3554 k = 0.1408 0.1408 0.1408 ( 2160 PWs) bands (ev): -7.1745 -7.1745 -7.1719 -7.1719 -6.1495 -6.1495 -6.1462 -6.1462 -6.1414 -6.1414 1.5281 1.5281 5.6417 5.6417 10.0902 10.0902 10.1095 10.1095 10.7793 10.7793 11.6227 11.6227 11.8659 11.8659 11.8810 11.8810 12.3708 12.3708 12.3778 12.3778 13.8620 13.8620 13.9896 13.9896 14.0070 14.0070 14.3370 14.3370 14.3788 14.3788 14.9166 14.9166 15.3397 15.3397 15.5668 15.5668 15.6072 15.6072 16.3376 16.3376 k = 0.1479 0.1479 0.1479 ( 2160 PWs) bands (ev): -7.1741 -7.1741 -7.1713 -7.1713 -6.1488 -6.1488 -6.1453 -6.1453 -6.1415 -6.1415 1.5715 1.5715 5.6623 5.6623 10.0201 10.0201 10.0386 10.0386 10.7418 10.7418 11.5845 11.5845 11.8479 11.8479 11.8664 11.8664 12.3913 12.3913 12.3989 12.3989 13.8494 13.8494 13.9781 13.9781 13.9935 13.9935 14.3382 14.3382 14.3783 14.3783 14.8785 14.8785 15.3369 15.3369 15.5892 15.5892 15.6305 15.6305 16.3220 16.3220 k = 0.1549 0.1549 0.1549 ( 2160 PWs) bands (ev): -7.1738 -7.1738 -7.1708 -7.1708 -6.1482 -6.1482 -6.1442 -6.1442 -6.1416 -6.1416 1.6167 1.6167 5.6841 5.6841 9.9503 9.9503 9.9680 9.9680 10.7015 10.7015 11.5453 11.5453 11.8284 11.8284 11.8505 11.8505 12.4128 12.4128 12.4209 12.4209 13.8382 13.8382 13.9671 13.9671 13.9813 13.9813 14.3393 14.3393 14.3774 14.3774 14.8395 14.8395 15.3342 15.3342 15.6109 15.6109 15.6531 15.6531 16.3087 16.3087 k = 0.1620 0.1620 0.1620 ( 2160 PWs) bands (ev): -7.1734 -7.1734 -7.1703 -7.1703 -6.1476 -6.1476 -6.1432 -6.1432 -6.1417 -6.1417 1.6636 1.6636 5.7070 5.7070 9.8810 9.8810 9.8978 9.8978 10.6582 10.6582 11.5057 11.5057 11.8076 11.8076 11.8334 11.8334 12.4351 12.4351 12.4437 12.4437 13.8282 13.8282 13.9567 13.9567 13.9702 13.9702 14.3403 14.3403 14.3764 14.3764 14.7996 14.7996 15.3315 15.3315 15.6318 15.6318 15.6749 15.6749 16.2977 16.2977 k = 0.1690 0.1690 0.1690 ( 2154 PWs) bands (ev): -7.1730 -7.1730 -7.1697 -7.1697 -6.1470 -6.1470 -6.1422 -6.1422 -6.1417 -6.1417 1.7120 1.7120 5.7311 5.7311 9.8122 9.8122 9.8281 9.8281 10.6117 10.6117 11.4663 11.4663 11.7856 11.7856 11.8154 11.8154 12.4583 12.4583 12.4673 12.4673 13.8193 13.8193 13.9468 13.9468 13.9601 13.9601 14.3415 14.3415 14.3753 14.3753 14.7592 14.7592 15.3289 15.3289 15.6517 15.6517 15.6957 15.6957 16.2888 16.2888 k = 0.1761 0.1761 0.1761 ( 2178 PWs) bands (ev): -7.1727 -7.1727 -7.1692 -7.1692 -6.1466 -6.1466 -6.1416 -6.1416 -6.1411 -6.1411 1.7620 1.7620 5.7563 5.7563 9.7440 9.7440 9.7590 9.7590 10.5618 10.5618 11.4274 11.4274 11.7627 11.7627 11.7964 11.7964 12.4822 12.4822 12.4916 12.4916 13.8112 13.8112 13.9367 13.9367 13.9506 13.9506 14.3427 14.3427 14.3741 14.3741 14.7180 14.7180 15.3260 15.3260 15.6703 15.6703 15.7151 15.7151 16.2819 16.2819 k = 0.1831 0.1831 0.1831 ( 2178 PWs) bands (ev): -7.1723 -7.1723 -7.1687 -7.1687 -6.1462 -6.1462 -6.1414 -6.1414 -6.1401 -6.1401 1.8134 1.8134 5.7827 5.7827 9.6766 9.6766 9.6908 9.6908 10.5083 10.5083 11.3897 11.3897 11.7390 11.7390 11.7768 11.7768 12.5071 12.5071 12.5168 12.5168 13.8041 13.8041 13.9271 13.9271 13.9420 13.9420 14.3446 14.3446 14.3734 14.3734 14.6764 14.6764 15.3234 15.3234 15.6875 15.6875 15.7332 15.7332 16.2771 16.2771 k = 0.1901 0.1901 0.1901 ( 2178 PWs) bands (ev): -7.1719 -7.1719 -7.1682 -7.1682 -6.1461 -6.1461 -6.1411 -6.1411 -6.1390 -6.1390 1.8663 1.8663 5.8103 5.8103 9.6101 9.6101 9.6233 9.6233 10.4513 10.4513 11.3537 11.3537 11.7149 11.7149 11.7568 11.7568 12.5327 12.5327 12.5427 12.5427 13.7976 13.7976 13.9174 13.9174 13.9340 13.9340 14.3471 14.3471 14.3730 14.3730 14.6345 14.6345 15.3207 15.3207 15.7032 15.7032 15.7497 15.7497 16.2741 16.2741 k = 0.1972 0.1972 0.1972 ( 2184 PWs) bands (ev): -7.1715 -7.1715 -7.1677 -7.1677 -6.1461 -6.1461 -6.1406 -6.1406 -6.1380 -6.1380 1.9204 1.9204 5.8390 5.8390 9.5445 9.5445 9.5568 9.5568 10.3906 10.3906 11.3195 11.3195 11.6904 11.6904 11.7365 11.7365 12.5589 12.5589 12.5692 12.5692 13.7915 13.7915 13.9076 13.9076 13.9262 13.9262 14.3503 14.3503 14.3732 14.3732 14.5925 14.5925 15.3181 15.3181 15.7171 15.7171 15.7644 15.7644 16.2731 16.2731 k = 0.2042 0.2042 0.2042 ( 2190 PWs) bands (ev): -7.1712 -7.1712 -7.1672 -7.1672 -6.1463 -6.1463 -6.1400 -6.1400 -6.1370 -6.1370 1.9758 1.9758 5.8690 5.8690 9.4800 9.4800 9.4913 9.4913 10.3265 10.3265 11.2875 11.2875 11.6658 11.6658 11.7161 11.7161 12.5857 12.5857 12.5963 12.5963 13.7857 13.7857 13.8974 13.8974 13.9187 13.9187 14.3544 14.3544 14.3738 14.3738 14.5505 14.5505 15.3154 15.3154 15.7292 15.7292 15.7773 15.7773 16.2737 16.2737 k = 0.2113 0.2113 0.2113 ( 2190 PWs) bands (ev): -7.1708 -7.1708 -7.1668 -7.1668 -6.1465 -6.1465 -6.1393 -6.1393 -6.1360 -6.1360 2.0323 2.0323 5.9001 5.9001 9.4164 9.4164 9.4268 9.4268 10.2591 10.2591 11.2579 11.2579 11.6414 11.6414 11.6958 11.6958 12.6131 12.6131 12.6240 12.6240 13.7800 13.7800 13.8868 13.8868 13.9112 13.9112 14.3594 14.3594 14.3747 14.3747 14.5090 14.5090 15.3128 15.3128 15.7394 15.7394 15.7882 15.7882 16.2761 16.2761 k = 0.2183 0.2183 0.2183 ( 2181 PWs) bands (ev): -7.1705 -7.1705 -7.1664 -7.1664 -6.1469 -6.1469 -6.1386 -6.1386 -6.1350 -6.1350 2.0898 2.0898 5.9325 5.9325 9.3541 9.3541 9.3635 9.3635 10.1888 10.1888 11.2307 11.2307 11.6173 11.6173 11.6758 11.6758 12.6411 12.6411 12.6521 12.6521 13.7743 13.7743 13.8757 13.8757 13.9037 13.9037 14.3654 14.3654 14.3752 14.3752 14.4691 14.4691 15.3103 15.3103 15.7475 15.7475 15.7971 15.7971 16.2801 16.2801 k = 0.2254 0.2254 0.2254 ( 2181 PWs) bands (ev): -7.1702 -7.1702 -7.1660 -7.1660 -6.1473 -6.1473 -6.1378 -6.1378 -6.1340 -6.1340 2.1484 2.1484 5.9661 5.9661 9.2929 9.2929 9.3013 9.3013 10.1157 10.1157 11.2060 11.2060 11.5936 11.5936 11.6562 11.6562 12.6694 12.6694 12.6806 12.6806 13.7683 13.7683 13.8640 13.8640 13.8959 13.8959 14.3724 14.3724 14.3724 14.3724 14.4335 14.4335 15.3077 15.3077 15.7534 15.7534 15.8037 15.8037 16.2855 16.2855 k = 0.2324 0.2324 0.2324 ( 2181 PWs) bands (ev): -7.1698 -7.1698 -7.1656 -7.1656 -6.1478 -6.1478 -6.1370 -6.1370 -6.1330 -6.1330 2.2077 2.2077 6.0009 6.0009 9.2329 9.2329 9.2404 9.2404 10.0403 10.0403 11.1836 11.1836 11.5705 11.5705 11.6371 11.6371 12.6980 12.6980 12.7095 12.7095 13.7618 13.7618 13.8517 13.8517 13.8878 13.8878 14.3563 14.3563 14.3803 14.3803 14.4125 14.4125 15.3051 15.3051 15.7571 15.7571 15.8081 15.8081 16.2924 16.2924 k = 0.2394 0.2394 0.2394 ( 2181 PWs) bands (ev): -7.1695 -7.1695 -7.1653 -7.1653 -6.1483 -6.1483 -6.1362 -6.1362 -6.1320 -6.1320 2.2678 2.2678 6.0369 6.0369 9.1742 9.1742 9.1807 9.1807 9.9629 9.9629 11.1636 11.1636 11.5482 11.5482 11.6186 11.6186 12.7269 12.7269 12.7385 12.7385 13.7548 13.7548 13.8387 13.8387 13.8793 13.8793 14.3238 14.3238 14.3893 14.3893 14.4092 14.4092 15.3026 15.3026 15.7585 15.7585 15.8101 15.8101 16.3005 16.3005 k = 0.2465 0.2465 0.2465 ( 2187 PWs) bands (ev): -7.1692 -7.1692 -7.1649 -7.1649 -6.1489 -6.1489 -6.1354 -6.1354 -6.1311 -6.1311 2.3285 2.3285 6.0741 6.0741 9.1168 9.1168 9.1223 9.1223 9.8839 9.8839 11.1459 11.1459 11.5268 11.5268 11.6010 11.6010 12.7559 12.7559 12.7677 12.7677 13.7470 13.7470 13.8249 13.8249 13.8705 13.8705 14.2853 14.2853 14.3992 14.3992 14.4132 14.4132 15.2999 15.2999 15.7575 15.7575 15.8097 15.8097 16.3099 16.3099 k = 0.2535 0.2535 0.2535 ( 2187 PWs) bands (ev): -7.1689 -7.1689 -7.1647 -7.1647 -6.1495 -6.1495 -6.1346 -6.1346 -6.1302 -6.1302 2.3898 2.3898 6.1125 6.1125 9.0607 9.0607 9.0653 9.0653 9.8037 9.8037 11.1303 11.1303 11.5063 11.5063 11.5842 11.5842 12.7851 12.7851 12.7970 12.7970 13.7386 13.7386 13.8106 13.8106 13.8613 13.8613 14.2453 14.2453 14.4099 14.4099 14.4202 14.4202 15.2972 15.2972 15.7541 15.7541 15.8069 15.8069 16.3205 16.3205 k = 0.2606 0.2606 0.2606 ( 2187 PWs) bands (ev): -7.1686 -7.1686 -7.1644 -7.1644 -6.1501 -6.1501 -6.1338 -6.1338 -6.1293 -6.1293 2.4514 2.4514 6.1520 6.1520 9.0060 9.0060 9.0097 9.0097 9.7225 9.7225 11.1168 11.1168 11.4870 11.4870 11.5684 11.5684 12.8143 12.8143 12.8263 12.8263 13.7291 13.7291 13.7956 13.7956 13.8517 13.8517 14.2051 14.2051 14.4215 14.4215 14.4289 14.4289 15.2947 15.2947 15.7484 15.7484 15.8015 15.8015 16.3320 16.3320 k = 0.2676 0.2676 0.2676 ( 2187 PWs) bands (ev): -7.1684 -7.1684 -7.1642 -7.1642 -6.1508 -6.1508 -6.1329 -6.1329 -6.1285 -6.1285 2.5134 2.5134 6.1927 6.1927 8.9527 8.9527 8.9555 8.9555 9.6408 9.6408 11.1052 11.1052 11.4690 11.4690 11.5537 11.5537 12.8434 12.8434 12.8556 12.8556 13.7188 13.7188 13.7799 13.7799 13.8415 13.8415 14.1651 14.1651 14.4338 14.4338 14.4389 14.4389 15.2922 15.2922 15.7402 15.7402 15.7936 15.7936 16.3444 16.3444 k = 0.2746 0.2746 0.2746 ( 2187 PWs) bands (ev): -7.1681 -7.1681 -7.1640 -7.1640 -6.1514 -6.1514 -6.1321 -6.1321 -6.1277 -6.1277 2.5755 2.5755 6.2344 6.2344 8.9009 8.9009 8.9028 8.9028 9.5588 9.5588 11.0956 11.0956 11.4522 11.4522 11.5402 11.5402 12.8724 12.8724 12.8847 12.8847 13.7074 13.7074 13.7635 13.7635 13.8310 13.8310 14.1256 14.1256 14.4466 14.4466 14.4498 14.4498 15.2898 15.2898 15.7296 15.7296 15.7833 15.7833 16.3576 16.3576 k = 0.2817 0.2817 0.2817 ( 2187 PWs) bands (ev): -7.1679 -7.1679 -7.1638 -7.1638 -6.1522 -6.1522 -6.1313 -6.1313 -6.1269 -6.1269 2.6377 2.6377 6.2771 6.2771 8.8505 8.8505 8.8515 8.8515 9.4769 9.4769 11.0879 11.0879 11.4368 11.4368 11.5280 11.5280 12.9011 12.9011 12.9135 12.9135 13.6950 13.6950 13.7467 13.7467 13.8199 13.8199 14.0867 14.0867 14.4599 14.4599 14.4614 14.4614 15.2874 15.2874 15.7167 15.7167 15.7705 15.7705 16.3715 16.3715 k = 0.2887 0.2887 0.2887 ( 2184 PWs) bands (ev): -7.1677 -7.1677 -7.1637 -7.1637 -6.1529 -6.1529 -6.1305 -6.1305 -6.1261 -6.1261 2.6998 2.6998 6.3208 6.3208 8.8016 8.8016 8.8017 8.8017 9.3952 9.3952 11.0819 11.0819 11.4229 11.4229 11.5170 11.5170 12.9296 12.9296 12.9421 12.9421 13.6817 13.6817 13.7293 13.7293 13.8083 13.8083 14.0484 14.0484 14.4736 14.4736 14.4736 14.4736 15.2850 15.2850 15.7017 15.7017 15.7553 15.7553 16.3860 16.3860 k = 0.2958 0.2958 0.2958 ( 2184 PWs) bands (ev): -7.1674 -7.1674 -7.1636 -7.1636 -6.1537 -6.1537 -6.1297 -6.1297 -6.1254 -6.1254 2.7617 2.7617 6.3654 6.3654 8.7534 8.7534 8.7541 8.7541 9.3142 9.3142 11.0777 11.0777 11.4106 11.4106 11.5073 11.5073 12.9576 12.9576 12.9702 12.9702 13.6675 13.6675 13.7114 13.7114 13.7960 13.7960 14.0109 14.0109 14.4863 14.4863 14.4875 14.4875 15.2826 15.2826 15.6844 15.6844 15.7378 15.7378 16.4010 16.4010 k = 0.3028 0.3028 0.3028 ( 2190 PWs) bands (ev): -7.1672 -7.1672 -7.1635 -7.1635 -6.1544 -6.1544 -6.1289 -6.1289 -6.1247 -6.1247 2.8233 2.8233 6.4109 6.4109 8.7066 8.7066 8.7081 8.7081 9.2340 9.2340 11.0751 11.0751 11.3997 11.3997 11.4990 11.4990 12.9850 12.9850 12.9977 12.9977 13.6523 13.6523 13.6930 13.6930 13.7830 13.7830 13.9743 13.9743 14.4992 14.4992 14.5013 14.5013 15.2803 15.2803 15.6652 15.6652 15.7181 15.7181 16.4162 16.4162 k = 0.3099 0.3099 0.3099 ( 2190 PWs) bands (ev): -7.1671 -7.1671 -7.1634 -7.1634 -6.1552 -6.1552 -6.1282 -6.1282 -6.1241 -6.1241 2.8844 2.8844 6.4570 6.4570 8.6614 8.6614 8.6637 8.6637 9.1548 9.1548 11.0741 11.0741 11.3905 11.3905 11.4922 11.4922 13.0119 13.0119 13.0248 13.0248 13.6364 13.6364 13.6742 13.6742 13.7693 13.7693 13.9385 13.9385 14.5122 14.5122 14.5153 14.5153 15.2780 15.2780 15.6442 15.6442 15.6965 15.6965 16.4317 16.4317 k = 0.3169 0.3169 0.3169 ( 2190 PWs) bands (ev): -7.1669 -7.1669 -7.1634 -7.1634 -6.1560 -6.1560 -6.1274 -6.1274 -6.1235 -6.1235 2.9449 2.9449 6.5037 6.5037 8.6178 8.6178 8.6208 8.6208 9.0770 9.0770 11.0747 11.0747 11.3830 11.3830 11.4867 11.4867 13.0380 13.0380 13.0511 13.0511 13.6197 13.6197 13.6550 13.6550 13.7548 13.7548 13.9038 13.9038 14.5253 14.5253 14.5290 14.5290 15.2757 15.2757 15.6216 15.6216 15.6730 15.6730 16.4472 16.4472 k = 0.3239 0.3239 0.3239 ( 2190 PWs) bands (ev): -7.1667 -7.1667 -7.1634 -7.1634 -6.1568 -6.1568 -6.1267 -6.1267 -6.1229 -6.1229 3.0047 3.0047 6.5509 6.5509 8.5757 8.5757 8.5795 8.5795 9.0006 9.0006 11.0769 11.0769 11.3771 11.3771 11.4827 11.4827 13.0634 13.0634 13.0768 13.0768 13.6024 13.6024 13.6354 13.6354 13.7394 13.7394 13.8701 13.8701 14.5381 14.5381 14.5424 14.5424 15.2735 15.2735 15.5977 15.5977 15.6482 15.6482 16.4627 16.4627 k = 0.3310 0.3310 0.3310 ( 2190 PWs) bands (ev): -7.1666 -7.1666 -7.1634 -7.1634 -6.1576 -6.1576 -6.1260 -6.1260 -6.1223 -6.1223 3.0637 3.0637 6.5984 6.5984 8.5352 8.5352 8.5397 8.5397 8.9260 8.9260 11.0805 11.0805 11.3729 11.3729 11.4801 11.4801 13.0878 13.0878 13.1015 13.1015 13.5846 13.5846 13.6156 13.6156 13.7230 13.7230 13.8374 13.8374 14.5507 14.5507 14.5554 14.5554 15.2713 15.2713 15.5728 15.5728 15.6220 15.6220 16.4779 16.4779 k = 0.3380 0.3380 0.3380 ( 2190 PWs) bands (ev): -7.1665 -7.1665 -7.1635 -7.1635 -6.1584 -6.1584 -6.1253 -6.1253 -6.1218 -6.1218 3.1216 3.1216 6.6460 6.6460 8.4963 8.4963 8.5014 8.5014 8.8533 8.8533 11.0856 11.0856 11.3704 11.3704 11.4789 11.4789 13.1112 13.1112 13.1254 13.1254 13.5664 13.5664 13.5955 13.5955 13.7055 13.7055 13.8059 13.8059 14.5629 14.5629 14.5679 14.5679 15.2691 15.2691 15.5471 15.5471 15.5949 15.5949 16.4927 16.4927 k = 0.3451 0.3451 0.3451 ( 2190 PWs) bands (ev): -7.1664 -7.1664 -7.1635 -7.1635 -6.1592 -6.1592 -6.1247 -6.1247 -6.1213 -6.1213 3.1785 3.1785 6.6936 6.6936 8.4590 8.4590 8.4648 8.4648 8.7827 8.7827 11.0921 11.0921 11.3697 11.3697 11.4790 11.4790 13.1333 13.1333 13.1482 13.1482 13.5478 13.5478 13.5752 13.5752 13.6870 13.6870 13.7756 13.7756 14.5745 14.5745 14.5796 14.5796 15.2670 15.2670 15.5210 15.5210 15.5673 15.5673 16.5070 16.5070 k = 0.3521 0.3521 0.3521 ( 2190 PWs) bands (ev): -7.1663 -7.1663 -7.1636 -7.1636 -6.1600 -6.1600 -6.1240 -6.1240 -6.1209 -6.1209 3.2341 3.2341 6.7409 6.7409 8.4233 8.4233 8.4296 8.4296 8.7145 8.7145 11.1000 11.1000 11.3707 11.3707 11.4805 11.4805 13.1542 13.1542 13.1699 13.1699 13.5291 13.5291 13.5547 13.5547 13.6675 13.6675 13.7464 13.7464 14.5854 14.5854 14.5905 14.5905 15.2648 15.2648 15.4948 15.4948 15.5395 15.5395 16.5204 16.5204 k = 0.3592 0.3592 0.3592 ( 2197 PWs) bands (ev): -7.1662 -7.1662 -7.1637 -7.1637 -6.1608 -6.1608 -6.1234 -6.1234 -6.1204 -6.1204 3.2883 3.2883 6.7876 6.7876 8.3893 8.3893 8.3961 8.3961 8.6488 8.6488 11.1090 11.1090 11.3734 11.3734 11.4833 11.4833 13.1735 13.1735 13.1905 13.1905 13.5104 13.5104 13.5340 13.5340 13.6467 13.6467 13.7183 13.7183 14.5954 14.5954 14.6005 14.6005 15.2626 15.2626 15.4690 15.4690 15.5118 15.5118 16.5329 16.5329 k = 0.3662 0.3662 0.3662 ( 2197 PWs) bands (ev): -7.1661 -7.1661 -7.1638 -7.1638 -6.1616 -6.1616 -6.1228 -6.1228 -6.1201 -6.1201 3.3410 3.3410 6.8336 6.8336 8.3568 8.3568 8.3642 8.3642 8.5859 8.5859 11.1193 11.1193 11.3778 11.3778 11.4873 11.4873 13.1911 13.1911 13.2097 13.2097 13.4918 13.4918 13.5134 13.5134 13.6249 13.6249 13.6915 13.6915 14.6045 14.6045 14.6094 14.6094 15.2605 15.2605 15.4438 15.4438 15.4848 15.4848 16.5442 16.5442 k = 0.3732 0.3732 0.3732 ( 2197 PWs) bands (ev): -7.1660 -7.1660 -7.1639 -7.1639 -6.1624 -6.1624 -6.1222 -6.1222 -6.1197 -6.1197 3.3920 3.3920 6.8786 6.8786 8.3260 8.3260 8.3338 8.3338 8.5259 8.5259 11.1306 11.1306 11.3840 11.3840 11.4924 11.4924 13.2066 13.2066 13.2276 13.2276 13.4737 13.4737 13.4928 13.4928 13.6023 13.6023 13.6658 13.6658 14.6125 14.6125 14.6173 14.6173 15.2583 15.2583 15.4196 15.4196 15.4586 15.4586 16.5540 16.5540 k = 0.3803 0.3803 0.3803 ( 2194 PWs) bands (ev): -7.1660 -7.1660 -7.1640 -7.1640 -6.1631 -6.1631 -6.1217 -6.1217 -6.1194 -6.1194 3.4413 3.4413 6.9223 6.9223 8.2969 8.2969 8.3050 8.3050 8.4692 8.4692 11.1429 11.1429 11.3919 11.3919 11.4986 11.4986 13.2199 13.2199 13.2440 13.2440 13.4563 13.4563 13.4724 13.4724 13.5788 13.5788 13.6413 13.6413 14.6196 14.6196 14.6240 14.6240 15.2561 15.2561 15.3967 15.3967 15.4337 15.4337 16.5621 16.5621 k = 0.3873 0.3873 0.3873 ( 2194 PWs) bands (ev): -7.1659 -7.1659 -7.1642 -7.1642 -6.1638 -6.1638 -6.1212 -6.1212 -6.1191 -6.1191 3.4887 3.4887 6.9643 6.9643 8.2694 8.2694 8.2778 8.2778 8.4158 8.4158 11.1560 11.1560 11.4015 11.4015 11.5058 11.5058 13.2304 13.2304 13.2586 13.2586 13.4400 13.4400 13.4525 13.4525 13.5547 13.5547 13.6179 13.6179 14.6253 14.6253 14.6295 14.6295 15.2539 15.2539 15.3753 15.3753 15.4102 15.4102 16.5682 16.5682 k = 0.3944 0.3944 0.3944 ( 2194 PWs) bands (ev): -7.1659 -7.1659 -7.1643 -7.1643 -6.1645 -6.1645 -6.1207 -6.1207 -6.1188 -6.1188 3.5341 3.5341 7.0043 7.0043 8.2435 8.2435 8.2521 8.2521 8.3661 8.3661 11.1697 11.1697 11.4127 11.4127 11.5138 11.5138 13.2377 13.2377 13.2713 13.2713 13.4250 13.4250 13.4334 13.4334 13.5301 13.5301 13.5958 13.5958 14.6300 14.6300 14.6338 14.6338 15.2515 15.2515 15.3558 15.3558 15.3884 15.3884 16.5719 16.5719 k = 0.4014 0.4014 0.4014 ( 2203 PWs) bands (ev): -7.1658 -7.1658 -7.1645 -7.1645 -6.1652 -6.1652 -6.1202 -6.1202 -6.1185 -6.1185 3.5773 3.5773 7.0420 7.0420 8.2193 8.2193 8.2280 8.2280 8.3202 8.3202 11.1838 11.1838 11.4255 11.4255 11.5225 11.5225 13.2413 13.2413 13.2814 13.2814 13.4116 13.4116 13.4157 13.4157 13.5055 13.5055 13.5749 13.5749 14.6334 14.6334 14.6368 14.6368 15.2490 15.2490 15.3382 15.3382 15.3685 15.3685 16.5729 16.5729 k = 0.4085 0.4085 0.4085 ( 2203 PWs) bands (ev): -7.1658 -7.1658 -7.1646 -7.1646 -6.1658 -6.1658 -6.1198 -6.1198 -6.1183 -6.1183 3.6182 3.6182 7.0772 7.0772 8.1967 8.1967 8.2053 8.2053 8.2785 8.2785 11.1983 11.1983 11.4399 11.4399 11.5318 11.5318 13.2409 13.2409 13.2883 13.2883 13.3994 13.3994 13.4003 13.4003 13.4817 13.4817 13.5557 13.5557 14.6358 14.6358 14.6388 14.6388 15.2462 15.2462 15.3228 15.3228 15.3506 15.3506 16.5710 16.5710 k = 0.4155 0.4155 0.4155 ( 2215 PWs) bands (ev): -7.1658 -7.1658 -7.1647 -7.1647 -6.1664 -6.1664 -6.1194 -6.1194 -6.1181 -6.1181 3.6567 3.6567 7.1095 7.1095 8.1758 8.1758 8.1841 8.1841 8.2410 8.2410 11.2127 11.2127 11.4555 11.4555 11.5415 11.5415 13.2367 13.2367 13.2909 13.2909 13.3870 13.3870 13.3883 13.3883 13.4598 13.4598 13.5382 13.5382 14.6372 14.6372 14.6397 14.6397 15.2432 15.2432 15.3095 15.3095 15.3346 15.3346 16.5659 16.5659 k = 0.4225 0.4225 0.4225 ( 2221 PWs) bands (ev): -7.1658 -7.1658 -7.1649 -7.1649 -6.1670 -6.1670 -6.1190 -6.1190 -6.1179 -6.1179 3.6927 3.6927 7.1387 7.1387 8.1566 8.1566 8.1642 8.1642 8.2079 8.2079 11.2269 11.2269 11.4725 11.4725 11.5515 11.5515 13.2290 13.2290 13.2884 13.2884 13.3724 13.3724 13.3808 13.3808 13.4423 13.4423 13.5226 13.5226 14.6376 14.6376 14.6397 14.6397 15.2399 15.2399 15.2985 15.2985 15.3206 15.3206 16.5574 16.5575 k = 0.4296 0.4296 0.4296 ( 2218 PWs) bands (ev): -7.1658 -7.1658 -7.1650 -7.1650 -6.1675 -6.1675 -6.1186 -6.1186 -6.1177 -6.1177 3.7260 3.7260 7.1646 7.1646 8.1390 8.1390 8.1456 8.1456 8.1795 8.1795 11.2408 11.2408 11.4904 11.4904 11.5615 11.5615 13.2189 13.2189 13.2809 13.2809 13.3537 13.3537 13.3781 13.3781 13.4303 13.4303 13.5090 13.5090 14.6374 14.6374 14.6391 14.6391 15.2365 15.2365 15.2897 15.2897 15.3086 15.3086 16.5458 16.5458 k = 0.4366 0.4366 0.4366 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1651 -7.1651 -6.1680 -6.1680 -6.1183 -6.1183 -6.1176 -6.1176 3.7566 3.7566 7.1872 7.1872 8.1231 8.1231 8.1282 8.1282 8.1558 8.1558 11.2540 11.2540 11.5089 11.5089 11.5715 11.5715 13.2070 13.2070 13.2700 13.2700 13.3314 13.3314 13.3785 13.3785 13.4228 13.4228 13.4976 13.4976 14.6365 14.6365 14.6379 14.6379 15.2329 15.2329 15.2827 15.2827 15.2984 15.2984 16.5312 16.5312 k = 0.4437 0.4437 0.4437 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1652 -7.1652 -6.1684 -6.1684 -6.1180 -6.1180 -6.1174 -6.1174 3.7843 3.7843 7.2064 7.2064 8.1088 8.1088 8.1121 8.1121 8.1364 8.1364 11.2664 11.2664 11.5278 11.5278 11.5810 11.5810 13.1942 13.1942 13.2573 13.2573 13.3075 13.3075 13.3808 13.3808 13.4179 13.4179 13.4885 13.4885 14.6352 14.6352 14.6362 14.6362 15.2292 15.2292 15.2774 15.2774 15.2899 15.2899 16.5143 16.5143 k = 0.4507 0.4507 0.4507 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1654 -7.1654 -6.1688 -6.1688 -6.1178 -6.1178 -6.1173 -6.1173 3.8090 3.8090 7.2224 7.2224 8.0963 8.0963 8.0977 8.0977 8.1207 8.1207 11.2778 11.2778 11.5464 11.5464 11.5901 11.5901 13.1811 13.1811 13.2444 13.2444 13.2836 13.2836 13.3837 13.3837 13.4140 13.4140 13.4816 13.4816 14.6336 14.6336 14.6344 14.6344 15.2258 15.2258 15.2734 15.2734 15.2829 15.2829 16.4958 16.4958 k = 0.4577 0.4577 0.4577 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1654 -7.1654 -6.1692 -6.1692 -6.1176 -6.1176 -6.1172 -6.1172 3.8306 3.8306 7.2354 7.2354 8.0854 8.0854 8.0854 8.0854 8.1081 8.1081 11.2880 11.2880 11.5643 11.5643 11.5985 11.5985 13.1681 13.1681 13.2319 13.2319 13.2611 13.2611 13.3868 13.3868 13.4104 13.4104 13.4769 13.4769 14.6319 14.6319 14.6325 14.6325 15.2228 15.2228 15.2703 15.2703 15.2772 15.2772 16.4769 16.4769 k = 0.4648 0.4648 0.4648 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1655 -7.1655 -6.1695 -6.1695 -6.1174 -6.1174 -6.1172 -6.1172 3.8491 3.8491 7.2455 7.2455 8.0755 8.0755 8.0762 8.0762 8.0979 8.0979 11.2969 11.2969 11.5808 11.5808 11.6059 11.6059 13.1558 13.1558 13.2206 13.2206 13.2408 13.2408 13.3896 13.3896 13.4068 13.4068 13.4739 13.4739 14.6302 14.6302 14.6306 14.6306 15.2202 15.2202 15.2680 15.2680 15.2727 15.2727 16.4586 16.4586 k = 0.4718 0.4718 0.4718 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1656 -7.1656 -6.1697 -6.1697 -6.1172 -6.1172 -6.1171 -6.1171 3.8643 3.8643 7.2532 7.2532 8.0678 8.0678 8.0686 8.0686 8.0899 8.0899 11.3043 11.3043 11.5955 11.5955 11.6123 11.6123 13.1446 13.1446 13.2109 13.2109 13.2236 13.2236 13.3920 13.3920 13.4035 13.4035 13.4721 13.4721 14.6287 14.6287 14.6289 14.6289 15.2181 15.2181 15.2663 15.2663 15.2692 15.2692 16.4420 16.4420 k = 0.4789 0.4789 0.4789 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1699 -6.1699 -6.1171 -6.1171 -6.1170 -6.1170 3.8763 3.8763 7.2588 7.2588 8.0621 8.0621 8.0628 8.0628 8.0838 8.0838 11.3102 11.3102 11.6076 11.6076 11.6174 11.6174 13.1349 13.1349 13.2030 13.2030 13.2100 13.2100 13.3940 13.3940 13.4006 13.4006 13.4711 13.4711 14.6274 14.6274 14.6275 14.6275 15.2165 15.2165 15.2651 15.2651 15.2667 15.2667 16.4281 16.4281 k = 0.4859 0.4859 0.4859 ( 2218 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1700 -6.1700 -6.1170 -6.1170 -6.1170 -6.1170 3.8848 3.8848 7.2626 7.2626 8.0582 8.0582 8.0586 8.0586 8.0796 8.0796 11.3145 11.3145 11.6167 11.6167 11.6212 11.6212 13.1274 13.1274 13.1972 13.1972 13.2002 13.2002 13.3954 13.3954 13.3984 13.3984 13.4706 13.4706 14.6264 14.6264 14.6265 14.6265 15.2153 15.2153 15.2643 15.2643 15.2649 15.2649 16.4175 16.4175 k = 0.4930 0.4930 0.4930 ( 2206 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8900 3.8900 7.2647 7.2647 8.0560 8.0560 8.0561 8.0561 8.0771 8.0771 11.3171 11.3171 11.6224 11.6224 11.6235 11.6235 13.1228 13.1228 13.1938 13.1938 13.1945 13.1945 13.3963 13.3963 13.3970 13.3970 13.4705 13.4705 14.6259 14.6259 14.6259 14.6259 15.2148 15.2148 15.2640 15.2640 15.2640 15.2640 16.4110 16.4110 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8917 3.8917 7.2654 7.2654 8.0553 8.0553 8.0553 8.0553 8.0763 8.0763 11.3179 11.3179 11.6243 11.6243 11.6243 11.6243 13.1214 13.1214 13.1928 13.1928 13.1928 13.1928 13.3967 13.3967 13.3967 13.3967 13.4706 13.4706 14.6259 14.6259 14.6259 14.6259 15.2148 15.2148 15.2640 15.2640 15.2640 15.2640 16.4088 16.4088 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8917 3.8917 7.2654 7.2654 8.0553 8.0553 8.0553 8.0553 8.0763 8.0763 11.3179 11.3179 11.6243 11.6243 11.6243 11.6243 13.1214 13.1214 13.1928 13.1928 13.1928 13.1928 13.3967 13.3967 13.3967 13.3967 13.4706 13.4706 14.6259 14.6259 14.6259 14.6259 15.2148 15.2148 15.2640 15.2640 15.2640 15.2640 16.4088 16.4088 k = 0.4914 0.5000 0.4914 ( 2212 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8900 3.8900 7.2647 7.2647 8.0554 8.0554 8.0566 8.0566 8.0771 8.0771 11.3171 11.3171 11.6222 11.6222 11.6237 11.6237 13.1227 13.1227 13.1937 13.1937 13.1944 13.1944 13.3963 13.3963 13.3970 13.3970 13.4705 13.4705 14.6258 14.6258 14.6260 14.6260 15.2147 15.2147 15.2637 15.2637 15.2642 15.2642 16.4110 16.4110 k = 0.4828 0.5000 0.4828 ( 2220 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1700 -6.1700 -6.1171 -6.1171 -6.1170 -6.1170 3.8848 3.8848 7.2626 7.2626 8.0556 8.0556 8.0607 8.0607 8.0800 8.0800 11.3145 11.3145 11.6161 11.6161 11.6218 11.6218 13.1274 13.1274 13.1973 13.1973 13.2001 13.2001 13.3955 13.3955 13.3983 13.3983 13.4707 13.4707 14.6260 14.6260 14.6268 14.6268 15.2152 15.2152 15.2634 15.2634 15.2657 15.2657 16.4176 16.4176 k = 0.4741 0.5000 0.4741 ( 2220 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1699 -6.1699 -6.1172 -6.1172 -6.1170 -6.1170 3.8763 3.8763 7.2589 7.2589 8.0553 8.0553 8.0676 8.0676 8.0856 8.0856 11.3101 11.3101 11.6062 11.6062 11.6189 11.6189 13.1349 13.1349 13.2036 13.2036 13.2094 13.2094 13.3942 13.3942 13.4004 13.4004 13.4711 13.4711 14.6265 14.6265 14.6284 14.6284 15.2162 15.2162 15.2633 15.2633 15.2686 15.2686 16.4282 16.4282 k = 0.4655 0.5000 0.4655 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1656 -7.1656 -6.1697 -6.1697 -6.1173 -6.1173 -6.1170 -6.1170 3.8644 3.8644 7.2535 7.2535 8.0544 8.0544 8.0771 8.0771 8.0942 8.0942 11.3040 11.3040 11.5929 11.5929 11.6152 11.6152 13.1444 13.1444 13.2126 13.2126 13.2218 13.2218 13.3923 13.3923 13.4032 13.4032 13.4720 13.4720 14.6272 14.6272 14.6304 14.6304 15.2175 15.2175 15.2631 15.2631 15.2727 15.2727 16.4426 16.4426 k = 0.4569 0.5000 0.4569 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1655 -7.1655 -6.1695 -6.1695 -6.1175 -6.1175 -6.1170 -6.1170 3.8493 3.8493 7.2462 7.2462 8.0533 8.0533 8.0893 8.0893 8.1060 8.1060 11.2962 11.2962 11.5766 11.5766 11.6109 11.6109 13.1553 13.1553 13.2246 13.2246 13.2370 13.2370 13.3900 13.3900 13.4064 13.4064 13.4736 13.4736 14.6281 14.6281 14.6329 14.6329 15.2189 15.2189 15.2630 15.2630 15.2785 15.2785 16.4601 16.4601 k = 0.4483 0.5000 0.4483 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1654 -7.1654 -6.1692 -6.1692 -6.1178 -6.1178 -6.1170 -6.1170 3.8311 3.8311 7.2366 7.2366 8.0522 8.0522 8.1040 8.1040 8.1206 8.1206 11.2867 11.2867 11.5579 11.5579 11.6064 11.6064 13.1669 13.1669 13.2396 13.2396 13.2542 13.2542 13.3872 13.3872 13.4099 13.4099 13.4765 13.4765 14.6291 14.6291 14.6356 14.6356 15.2202 15.2202 15.2631 15.2631 15.2860 15.2860 16.4799 16.4799 k = 0.4397 0.5000 0.4397 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1653 -7.1653 -6.1688 -6.1688 -6.1181 -6.1181 -6.1170 -6.1170 3.8098 3.8098 7.2244 7.2244 8.0519 8.0519 8.1211 8.1211 8.1382 8.1382 11.2755 11.2755 11.5374 11.5374 11.6018 11.6018 13.1789 13.1789 13.2571 13.2571 13.2726 13.2726 13.3840 13.3840 13.4134 13.4134 13.4810 13.4810 14.6302 14.6302 14.6386 14.6386 15.2213 15.2213 15.2636 15.2636 15.2956 15.2956 16.5013 16.5013 k = 0.4310 0.5000 0.4310 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1652 -7.1652 -6.1684 -6.1684 -6.1184 -6.1184 -6.1170 -6.1170 3.7857 3.7857 7.2093 7.2093 8.0528 8.0528 8.1405 8.1405 8.1586 8.1586 11.2627 11.2627 11.5158 11.5158 11.5975 11.5975 13.1911 13.1911 13.2766 13.2766 13.2913 13.2913 13.3806 13.3806 13.4169 13.4169 13.4876 13.4876 14.6313 14.6313 14.6415 14.6415 15.2220 15.2220 15.2646 15.2646 15.3075 15.3075 16.5232 16.5232 k = 0.4224 0.5000 0.4224 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1651 -7.1651 -6.1680 -6.1680 -6.1188 -6.1188 -6.1171 -6.1171 3.7587 3.7587 7.1910 7.1910 8.0555 8.0555 8.1621 8.1621 8.1818 8.1818 11.2481 11.2481 11.4936 11.4936 11.5936 11.5936 13.2035 13.2035 13.2973 13.2973 13.3086 13.3086 13.3774 13.3774 13.4210 13.4210 13.4966 13.4966 14.6326 14.6326 14.6443 14.6443 15.2222 15.2222 15.2662 15.2662 15.3218 15.3218 16.5448 16.5448 k = 0.4138 0.5000 0.4138 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1650 -7.1650 -6.1675 -6.1675 -6.1192 -6.1192 -6.1171 -6.1171 3.7292 3.7292 7.1692 7.1692 8.0602 8.0602 8.1857 8.1857 8.2078 8.2078 11.2319 11.2319 11.4717 11.4717 11.5903 11.5903 13.2160 13.2160 13.3179 13.3179 13.3227 13.3227 13.3751 13.3751 13.4268 13.4268 13.5080 13.5080 14.6338 14.6338 14.6468 14.6468 15.2217 15.2217 15.2687 15.2687 15.3388 15.3388 16.5651 16.5651 k = 0.4052 0.5000 0.4052 ( 2220 PWs) bands (ev): -7.1658 -7.1658 -7.1648 -7.1648 -6.1670 -6.1670 -6.1197 -6.1197 -6.1171 -6.1171 3.6973 3.6973 7.1439 7.1439 8.0676 8.0676 8.2111 8.2111 8.2365 8.2365 11.2141 11.2141 11.4507 11.4507 11.5877 11.5877 13.2287 13.2287 13.3298 13.3298 13.3386 13.3386 13.3752 13.3752 13.4357 13.4357 13.5218 13.5218 14.6349 14.6349 14.6488 14.6488 15.2205 15.2205 15.2721 15.2721 15.3587 15.3587 16.5836 16.5836 k = 0.3966 0.5000 0.3966 ( 2212 PWs) bands (ev): -7.1658 -7.1658 -7.1647 -7.1647 -6.1665 -6.1665 -6.1202 -6.1202 -6.1171 -6.1171 3.6631 3.6631 7.1148 7.1148 8.0778 8.0778 8.2382 8.2382 8.2681 8.2681 11.1945 11.1945 11.4311 11.4311 11.5858 11.5858 13.2412 13.2412 13.3315 13.3315 13.3538 13.3538 13.3803 13.3803 13.4487 13.4487 13.5380 13.5380 14.6360 14.6360 14.6501 14.6501 15.2187 15.2187 15.2764 15.2764 15.3817 15.3817 16.5996 16.5996 k = 0.3879 0.5000 0.3879 ( 2212 PWs) bands (ev): -7.1658 -7.1658 -7.1645 -7.1645 -6.1659 -6.1659 -6.1207 -6.1207 -6.1172 -6.1172 3.6268 3.6268 7.0819 7.0819 8.0911 8.0911 8.2669 8.2669 8.3023 8.3023 11.1732 11.1732 11.4135 11.4135 11.5846 11.5846 13.2532 13.2532 13.3287 13.3287 13.3598 13.3598 13.3934 13.3934 13.4648 13.4648 13.5561 13.5561 14.6371 14.6371 14.6506 14.6506 15.2162 15.2162 15.2816 15.2816 15.4078 15.4078 16.6130 16.6130 k = 0.3793 0.5000 0.3793 ( 2204 PWs) bands (ev): -7.1659 -7.1659 -7.1644 -7.1644 -6.1652 -6.1652 -6.1213 -6.1213 -6.1172 -6.1172 3.5887 3.5887 7.0454 7.0454 8.1075 8.1075 8.2971 8.2971 8.3391 8.3391 11.1503 11.1503 11.3983 11.3983 11.5842 11.5842 13.2636 13.2636 13.3242 13.3242 13.3598 13.3598 13.4107 13.4107 13.4830 13.4830 13.5763 13.5763 14.6379 14.6379 14.6502 14.6502 15.2131 15.2131 15.2877 15.2877 15.4372 15.4372 16.6238 16.6238 k = 0.3707 0.5000 0.3707 ( 2204 PWs) bands (ev): -7.1659 -7.1659 -7.1642 -7.1642 -6.1646 -6.1646 -6.1219 -6.1219 -6.1173 -6.1173 3.5488 3.5488 7.0055 7.0055 8.1272 8.1272 8.3285 8.3285 8.3786 8.3786 11.1259 11.1259 11.3858 11.3858 11.5845 11.5845 13.2702 13.2702 13.3204 13.3204 13.3579 13.3579 13.4286 13.4286 13.5017 13.5017 13.5984 13.5984 14.6384 14.6384 14.6488 14.6488 15.2095 15.2095 15.2945 15.2945 15.4698 15.4698 16.6320 16.6320 k = 0.3621 0.5000 0.3621 ( 2196 PWs) bands (ev): -7.1660 -7.1660 -7.1640 -7.1640 -6.1639 -6.1639 -6.1225 -6.1225 -6.1173 -6.1173 3.5074 3.5074 6.9623 6.9623 8.1502 8.1502 8.3612 8.3612 8.4205 8.4205 11.1002 11.1002 11.3760 11.3760 11.5855 11.5855 13.2702 13.2702 13.3195 13.3195 13.3567 13.3567 13.4457 13.4457 13.5203 13.5203 13.6224 13.6224 14.6388 14.6388 14.6464 14.6464 15.2054 15.2054 15.3021 15.3021 15.5059 15.5059 16.6379 16.6379 k = 0.3534 0.5000 0.3534 ( 2196 PWs) bands (ev): -7.1660 -7.1660 -7.1638 -7.1638 -6.1632 -6.1632 -6.1232 -6.1232 -6.1174 -6.1174 3.4647 3.4647 6.9162 6.9162 8.1762 8.1762 8.3950 8.3950 8.4649 8.4649 11.0735 11.0735 11.3691 11.3691 11.5872 11.5872 13.2632 13.2632 13.3194 13.3194 13.3593 13.3593 13.4618 13.4618 13.5380 13.5380 13.6480 13.6480 14.6387 14.6387 14.6429 14.6429 15.2009 15.2009 15.3103 15.3103 15.5453 15.5453 16.6418 16.6418 k = 0.3448 0.5000 0.3448 ( 2198 PWs) bands (ev): -7.1661 -7.1661 -7.1637 -7.1637 -6.1625 -6.1625 -6.1239 -6.1239 -6.1175 -6.1175 3.4208 3.4208 6.8674 6.8674 8.2053 8.2053 8.4298 8.4298 8.5116 8.5116 11.0461 11.0461 11.3648 11.3648 11.5896 11.5896 13.2514 13.2514 13.3163 13.3163 13.3674 13.3674 13.4767 13.4767 13.5546 13.5546 13.6754 13.6754 14.6373 14.6373 14.6393 14.6393 15.1959 15.1959 15.3191 15.3191 15.5882 15.5882 16.6438 16.6438 k = 0.3362 0.5000 0.3362 ( 2194 PWs) bands (ev): -7.1662 -7.1662 -7.1635 -7.1635 -6.1617 -6.1617 -6.1246 -6.1246 -6.1176 -6.1176 3.3759 3.3759 6.8164 6.8164 8.2374 8.2374 8.4654 8.4654 8.5606 8.5606 11.0183 11.0183 11.3632 11.3632 11.5927 11.5927 13.2366 13.2366 13.3102 13.3102 13.3797 13.3797 13.4905 13.4905 13.5698 13.5698 13.7045 13.7045 14.6319 14.6319 14.6382 14.6382 15.1906 15.1906 15.3284 15.3284 15.6346 15.6346 16.6445 16.6445 k = 0.3276 0.5000 0.3276 ( 2194 PWs) bands (ev): -7.1663 -7.1663 -7.1633 -7.1633 -6.1610 -6.1610 -6.1254 -6.1254 -6.1177 -6.1177 3.3301 3.3301 6.7634 6.7634 8.2722 8.2722 8.5018 8.5018 8.6118 8.6118 10.9902 10.9902 11.3641 11.3641 11.5964 11.5964 13.2195 13.2195 13.3023 13.3023 13.3942 13.3942 13.5031 13.5031 13.5836 13.5836 13.7352 13.7352 14.6249 14.6249 14.6372 14.6372 15.1849 15.1849 15.3381 15.3381 15.6841 15.6841 16.6440 16.6440 k = 0.3190 0.5000 0.3190 ( 2192 PWs) bands (ev): -7.1664 -7.1664 -7.1632 -7.1632 -6.1602 -6.1602 -6.1262 -6.1262 -6.1178 -6.1178 3.2837 3.2837 6.7087 6.7087 8.3097 8.3097 8.5388 8.5388 8.6651 8.6651 10.9621 10.9621 11.3673 11.3673 11.6006 11.6006 13.2005 13.2005 13.2932 13.2932 13.4100 13.4100 13.5148 13.5148 13.5959 13.5959 13.7674 13.7674 14.6168 14.6168 14.6358 14.6358 15.1788 15.1788 15.3481 15.3481 15.7370 15.7370 16.6425 16.6425 k = 0.3103 0.5000 0.3103 ( 2192 PWs) bands (ev): -7.1665 -7.1665 -7.1630 -7.1630 -6.1594 -6.1594 -6.1270 -6.1270 -6.1179 -6.1179 3.2368 3.2368 6.6528 6.6528 8.3496 8.3496 8.5764 8.5764 8.7205 8.7205 10.9343 10.9343 11.3726 11.3726 11.6055 11.6055 13.1797 13.1797 13.2835 13.2835 13.4265 13.4265 13.5258 13.5258 13.6066 13.6066 13.8012 13.8012 14.6077 14.6077 14.6340 14.6340 15.1725 15.1725 15.3585 15.3585 15.7930 15.7930 16.6404 16.6404 k = 0.3017 0.5000 0.3017 ( 2188 PWs) bands (ev): -7.1666 -7.1666 -7.1628 -7.1628 -6.1586 -6.1586 -6.1278 -6.1278 -6.1180 -6.1180 3.1896 3.1896 6.5959 6.5959 8.3919 8.3919 8.6143 8.6143 8.7778 8.7778 10.9069 10.9069 11.3800 11.3800 11.6108 11.6108 13.1573 13.1573 13.2733 13.2733 13.4431 13.4431 13.5362 13.5362 13.6160 13.6160 13.8365 13.8365 14.5976 14.5976 14.6317 14.6317 15.1658 15.1658 15.3691 15.3691 15.8522 15.8522 16.6378 16.6378 k = 0.2931 0.5000 0.2931 ( 2188 PWs) bands (ev): -7.1668 -7.1668 -7.1627 -7.1627 -6.1578 -6.1578 -6.1286 -6.1286 -6.1182 -6.1182 3.1421 3.1421 6.5383 6.5383 8.4363 8.4363 8.6527 8.6527 8.8369 8.8369 10.8800 10.8800 11.3893 11.3893 11.6167 11.6167 13.1332 13.1332 13.2628 13.2628 13.4596 13.4596 13.5463 13.5463 13.6242 13.6242 13.8729 13.8729 14.5866 14.5866 14.6289 14.6289 15.1589 15.1589 15.3799 15.3799 15.9144 15.9144 16.6351 16.6351 k = 0.2845 0.5000 0.2845 ( 2182 PWs) bands (ev): -7.1670 -7.1670 -7.1625 -7.1625 -6.1570 -6.1570 -6.1295 -6.1295 -6.1183 -6.1183 3.0946 3.0946 6.4802 6.4802 8.4827 8.4827 8.6912 8.6912 8.8978 8.8978 10.8538 10.8538 11.4003 11.4003 11.6230 11.6230 13.1076 13.1076 13.2521 13.2521 13.4756 13.4756 13.5567 13.5567 13.6313 13.6313 13.9106 13.9106 14.5747 14.5747 14.6256 14.6256 15.1517 15.1517 15.3910 15.3910 15.9795 15.9795 16.6323 16.6323 k = 0.2759 0.5000 0.2759 ( 2182 PWs) bands (ev): -7.1671 -7.1671 -7.1624 -7.1624 -6.1563 -6.1563 -6.1303 -6.1303 -6.1185 -6.1185 3.0472 3.0472 6.4220 6.4220 8.5309 8.5309 8.7298 8.7298 8.9603 8.9603 10.8284 10.8284 11.4128 11.4128 11.6298 11.6298 13.0805 13.0805 13.2415 13.2415 13.4906 13.4906 13.5678 13.5678 13.6373 13.6373 13.9492 13.9492 14.5619 14.5619 14.6217 14.6217 15.1443 15.1443 15.4023 15.4023 16.0474 16.0474 16.6297 16.6297 k = 0.2672 0.5000 0.2672 ( 2178 PWs) bands (ev): -7.1673 -7.1673 -7.1622 -7.1622 -6.1555 -6.1555 -6.1312 -6.1312 -6.1187 -6.1187 3.0000 3.0000 6.3638 6.3638 8.5809 8.5809 8.7685 8.7685 9.0243 9.0243 10.8039 10.8039 11.4267 11.4267 11.6370 11.6370 13.0519 13.0519 13.2308 13.2308 13.5041 13.5041 13.5800 13.5800 13.6424 13.6424 13.9888 13.9888 14.5484 14.5484 14.6171 14.6171 15.1367 15.1367 15.4138 15.4138 16.1182 16.1182 16.6275 16.6275 k = 0.2586 0.5000 0.2586 ( 2178 PWs) bands (ev): -7.1676 -7.1676 -7.1621 -7.1621 -6.1547 -6.1547 -6.1321 -6.1321 -6.1189 -6.1189 2.9532 2.9532 6.3059 6.3059 8.6323 8.6323 8.8071 8.8071 9.0897 9.0897 10.7804 10.7804 11.4417 11.4417 11.6446 11.6446 13.0219 13.0219 13.2203 13.2203 13.5159 13.5159 13.5940 13.5940 13.6469 13.6469 14.0291 14.0291 14.5342 14.5342 14.6120 14.6120 15.1289 15.1289 15.4256 15.4256 16.1914 16.1914 16.6258 16.6258 k = 0.2500 0.5000 0.2500 ( 2178 PWs) bands (ev): -7.1678 -7.1678 -7.1619 -7.1619 -6.1540 -6.1540 -6.1330 -6.1330 -6.1191 -6.1191 2.9068 2.9068 6.2485 6.2485 8.6851 8.6851 8.8455 8.8455 9.1563 9.1563 10.7581 10.7581 11.4578 11.4578 11.6525 11.6525 12.9906 12.9906 13.2100 13.2100 13.5259 13.5259 13.6097 13.6097 13.6507 13.6507 14.0701 14.0701 14.5195 14.5195 14.6062 14.6062 15.1210 15.1210 15.4377 15.4377 16.2672 16.2672 16.6248 16.6248 k = 0.2414 0.5000 0.2414 ( 2178 PWs) bands (ev): -7.1680 -7.1680 -7.1618 -7.1618 -6.1532 -6.1532 -6.1339 -6.1339 -6.1193 -6.1193 2.8610 2.8610 6.1918 6.1918 8.7391 8.7391 8.8837 8.8837 9.2240 9.2240 10.7369 10.7369 11.4747 11.4747 11.6608 11.6608 12.9581 12.9581 13.2000 13.2000 13.5343 13.5343 13.6271 13.6271 13.6540 13.6540 14.1115 14.1115 14.5042 14.5042 14.5997 14.5997 15.1131 15.1131 15.4502 15.4502 16.3453 16.3453 16.6247 16.6247 k = 0.2328 0.5000 0.2328 ( 2182 PWs) bands (ev): -7.1683 -7.1683 -7.1617 -7.1617 -6.1525 -6.1525 -6.1348 -6.1348 -6.1195 -6.1195 2.8158 2.8158 6.1359 6.1359 8.7940 8.7940 8.9215 8.9215 9.2927 9.2927 10.7169 10.7169 11.4922 11.4922 11.6692 11.6692 12.9244 12.9244 13.1904 13.1904 13.5415 13.5415 13.6455 13.6455 13.6573 13.6573 14.1531 14.1531 14.4884 14.4884 14.5924 14.5924 15.1051 15.1051 15.4630 15.4630 16.4257 16.4257 16.6255 16.6255 k = 0.2241 0.5000 0.2241 ( 2182 PWs) bands (ev): -7.1686 -7.1686 -7.1616 -7.1616 -6.1518 -6.1518 -6.1357 -6.1357 -6.1197 -6.1197 2.7715 2.7715 6.0810 6.0810 8.8496 8.8496 8.9590 8.9590 9.3621 9.3621 10.6983 10.6983 11.5102 11.5102 11.6780 11.6780 12.8896 12.8896 13.1812 13.1812 13.5479 13.5479 13.6583 13.6583 13.6670 13.6670 14.1948 14.1948 14.4723 14.4723 14.5845 14.5845 15.0972 15.0972 15.4764 15.4764 16.5081 16.5081 16.6274 16.6274 k = 0.2155 0.5000 0.2155 ( 2186 PWs) bands (ev): -7.1688 -7.1688 -7.1615 -7.1615 -6.1512 -6.1512 -6.1365 -6.1365 -6.1199 -6.1199 2.7281 2.7281 6.0273 6.0273 8.9057 8.9057 8.9962 8.9962 9.4321 9.4321 10.6811 10.6811 11.5284 11.5284 11.6870 11.6870 12.8539 12.8539 13.1725 13.1725 13.5538 13.5538 13.6612 13.6612 13.6871 13.6871 14.2362 14.2362 14.4559 14.4559 14.5758 14.5758 15.0895 15.0895 15.4903 15.4903 16.5920 16.5920 16.6307 16.6307 k = 0.2069 0.5000 0.2069 ( 2186 PWs) bands (ev): -7.1691 -7.1691 -7.1614 -7.1614 -6.1505 -6.1505 -6.1374 -6.1374 -6.1202 -6.1202 2.6857 2.6857 5.9749 5.9749 8.9617 8.9617 9.0332 9.0332 9.5026 9.5026 10.6654 10.6654 11.5466 11.5466 11.6962 11.6962 12.8174 12.8174 13.1644 13.1644 13.5597 13.5597 13.6634 13.6634 13.7084 13.7084 14.2770 14.2770 14.4396 14.4396 14.5664 14.5664 15.0820 15.0820 15.5049 15.5049 16.6350 16.6350 16.6762 16.6762 k = 0.1983 0.5000 0.1983 ( 2182 PWs) bands (ev): -7.1695 -7.1695 -7.1613 -7.1613 -6.1499 -6.1499 -6.1382 -6.1382 -6.1204 -6.1204 2.6443 2.6443 5.9238 5.9238 9.0167 9.0167 9.0708 9.0708 9.5732 9.5732 10.6512 10.6512 11.5647 11.5647 11.7055 11.7055 12.7802 12.7802 13.1569 13.1569 13.5656 13.5656 13.6657 13.6657 13.7302 13.7302 14.3163 14.3163 14.4240 14.4240 14.5563 14.5563 15.0750 15.0750 15.5200 15.5200 16.6409 16.6409 16.7261 16.7261 k = 0.1897 0.5000 0.1897 ( 2190 PWs) bands (ev): -7.1698 -7.1698 -7.1612 -7.1612 -6.1493 -6.1493 -6.1391 -6.1391 -6.1207 -6.1207 2.6041 2.6041 5.8743 5.8743 9.0684 9.0684 9.1108 9.1108 9.6439 9.6439 10.6386 10.6386 11.5824 11.5824 11.7150 11.7150 12.7424 12.7424 13.1500 13.1500 13.5718 13.5718 13.6677 13.6677 13.7522 13.7522 14.3511 14.3511 14.4115 14.4115 14.5454 14.5454 15.0684 15.0684 15.5358 15.5358 16.6474 16.6474 16.7004 16.7004 k = 0.1810 0.5000 0.1810 ( 2178 PWs) bands (ev): -7.1701 -7.1701 -7.1611 -7.1611 -6.1488 -6.1488 -6.1398 -6.1398 -6.1209 -6.1209 2.5652 2.5652 5.8265 5.8265 9.1131 9.1131 9.1568 9.1568 9.7145 9.7145 10.6277 10.6277 11.5995 11.5995 11.7245 11.7245 12.7042 12.7042 13.1440 13.1440 13.5785 13.5785 13.6699 13.6699 13.7747 13.7747 14.3674 14.3674 14.4163 14.4163 14.5342 14.5342 15.0627 15.0627 15.5524 15.5524 16.6471 16.6471 16.6741 16.6741 k = 0.1724 0.5000 0.1724 ( 2178 PWs) bands (ev): -7.1704 -7.1704 -7.1610 -7.1610 -6.1484 -6.1484 -6.1406 -6.1406 -6.1211 -6.1211 2.5276 2.5276 5.7803 5.7803 9.1503 9.1503 9.2087 9.2087 9.7846 9.7846 10.6185 10.6185 11.6159 11.6159 11.7340 11.7340 12.6656 12.6656 13.1385 13.1385 13.5857 13.5857 13.6722 13.6722 13.7973 13.7973 14.3587 14.3587 14.4435 14.4435 14.5232 14.5232 15.0580 15.0580 15.5696 15.5696 16.6179 16.6179 16.6762 16.6762 k = 0.1638 0.5000 0.1638 ( 2178 PWs) bands (ev): -7.1708 -7.1708 -7.1609 -7.1609 -6.1480 -6.1480 -6.1412 -6.1412 -6.1214 -6.1214 2.4914 2.4914 5.7360 5.7360 9.1831 9.1831 9.2634 9.2634 9.8540 9.8540 10.6110 10.6110 11.6313 11.6313 11.7435 11.7435 12.6270 12.6270 13.1338 13.1338 13.5935 13.5935 13.6748 13.6748 13.8198 13.8198 14.3435 14.3435 14.4710 14.4710 14.5161 14.5161 15.0544 15.0544 15.5875 15.5875 16.5789 16.5789 16.6884 16.6884 k = 0.1552 0.5000 0.1552 ( 2178 PWs) bands (ev): -7.1711 -7.1711 -7.1609 -7.1609 -6.1477 -6.1477 -6.1418 -6.1418 -6.1216 -6.1216 2.4567 2.4567 5.6935 5.6935 9.2131 9.2131 9.3188 9.3188 9.9225 9.9225 10.6052 10.6052 11.6458 11.6458 11.7529 11.7529 12.5883 12.5883 13.1298 13.1298 13.6018 13.6018 13.6780 13.6780 13.8423 13.8423 14.3268 14.3268 14.4786 14.4786 14.5273 14.5273 15.0525 15.0525 15.6060 15.6060 16.5374 16.5374 16.7038 16.7038 k = 0.1466 0.5000 0.1466 ( 2188 PWs) bands (ev): -7.1715 -7.1715 -7.1608 -7.1608 -6.1475 -6.1475 -6.1422 -6.1422 -6.1219 -6.1219 2.4234 2.4234 5.6530 5.6530 9.2410 9.2410 9.3739 9.3739 9.9898 9.9898 10.6012 10.6012 11.6591 11.6591 11.7620 11.7620 12.5498 12.5498 13.1265 13.1265 13.6104 13.6104 13.6820 13.6820 13.8645 13.8645 14.3098 14.3098 14.4682 14.4682 14.5536 14.5536 15.0523 15.0523 15.6250 15.6250 16.4942 16.4942 16.7217 16.7217 k = 0.1379 0.5000 0.1379 ( 2184 PWs) bands (ev): -7.1718 -7.1718 -7.1608 -7.1608 -6.1475 -6.1475 -6.1425 -6.1425 -6.1221 -6.1221 2.3918 2.3918 5.6145 5.6145 9.2670 9.2670 9.4281 9.4281 10.0556 10.0556 10.5989 10.5989 11.6713 11.6713 11.7707 11.7707 12.5117 12.5117 13.1240 13.1240 13.6189 13.6189 13.6875 13.6875 13.8866 13.8866 14.2928 14.2928 14.4533 14.4533 14.5811 14.5811 15.0545 15.0545 15.6446 15.6446 16.4500 16.4500 16.7419 16.7419 k = 0.1293 0.5000 0.1293 ( 2180 PWs) bands (ev): -7.1721 -7.1721 -7.1607 -7.1607 -6.1477 -6.1477 -6.1426 -6.1426 -6.1223 -6.1223 2.3618 2.3618 5.5781 5.5781 9.2912 9.2912 9.4812 9.4812 10.1197 10.1197 10.5982 10.5982 11.6823 11.6823 11.7790 11.7790 12.4742 12.4742 13.1222 13.1222 13.6270 13.6270 13.6948 13.6948 13.9083 13.9083 14.2762 14.2762 14.4367 14.4367 14.6066 14.6066 15.0593 15.0593 15.6647 15.6647 16.4049 16.4049 16.7644 16.7644 k = 0.1207 0.5000 0.1207 ( 2180 PWs) bands (ev): -7.1725 -7.1725 -7.1606 -7.1606 -6.1480 -6.1480 -6.1426 -6.1426 -6.1226 -6.1226 2.3335 2.3335 5.5439 5.5439 9.3136 9.3136 9.5328 9.5328 10.1818 10.1818 10.5991 10.5991 11.6922 11.6922 11.7868 11.7868 12.4374 12.4374 13.1210 13.1210 13.6340 13.6340 13.7046 13.7046 13.9294 13.9294 14.2598 14.2598 14.4187 14.4187 14.6290 14.6290 15.0669 15.0669 15.6849 15.6849 16.3591 16.3591 16.7892 16.7892 k = 0.1121 0.5000 0.1121 ( 2174 PWs) bands (ev): -7.1728 -7.1728 -7.1606 -7.1606 -6.1484 -6.1484 -6.1426 -6.1426 -6.1228 -6.1228 2.3070 2.3070 5.5118 5.5118 9.3341 9.3341 9.5826 9.5826 10.2414 10.2414 10.6015 10.6015 11.7010 11.7010 11.7939 11.7939 12.4016 12.4016 13.1205 13.1205 13.6396 13.6396 13.7173 13.7173 13.9500 13.9500 14.2439 14.2439 14.3998 14.3998 14.6481 14.6481 15.0777 15.0777 15.7053 15.7053 16.3129 16.3129 16.8162 16.8162 k = 0.1034 0.5000 0.1034 ( 2182 PWs) bands (ev): -7.1731 -7.1731 -7.1606 -7.1606 -6.1488 -6.1488 -6.1424 -6.1424 -6.1230 -6.1230 2.2822 2.2822 5.4819 5.4819 9.3529 9.3529 9.6302 9.6302 10.2984 10.2984 10.6051 10.6051 11.7087 11.7087 11.8002 11.8002 12.3668 12.3668 13.1205 13.1205 13.6438 13.6438 13.7327 13.7327 13.9698 13.9698 14.2283 14.2283 14.3799 14.3799 14.6635 14.6635 15.0913 15.0913 15.7257 15.7257 16.2666 16.2666 16.8453 16.8453 k = 0.0948 0.5000 0.0948 ( 2166 PWs) bands (ev): -7.1734 -7.1734 -7.1605 -7.1605 -6.1492 -6.1492 -6.1422 -6.1422 -6.1231 -6.1231 2.2593 2.2593 5.4543 5.4543 9.3699 9.3699 9.6757 9.6757 10.3524 10.3524 10.6100 10.6100 11.7154 11.7154 11.8058 11.8058 12.3336 12.3336 13.1210 13.1210 13.6470 13.6470 13.7507 13.7507 13.9889 13.9889 14.2138 14.2138 14.3592 14.3592 14.6757 14.6757 15.1080 15.1080 15.7458 15.7458 16.2206 16.2206 16.8764 16.8764 k = 0.0862 0.5000 0.0862 ( 2166 PWs) bands (ev): -7.1736 -7.1736 -7.1605 -7.1605 -6.1497 -6.1497 -6.1420 -6.1420 -6.1233 -6.1233 2.2382 2.2382 5.4290 5.4290 9.3851 9.3851 9.7183 9.7183 10.4030 10.4030 10.6157 10.6157 11.7212 11.7212 11.8105 11.8105 12.3020 12.3020 13.1219 13.1219 13.6492 13.6492 13.7708 13.7708 14.0067 14.0067 14.2000 14.2000 14.3377 14.3377 14.6847 14.6847 15.1268 15.1268 15.7654 15.7654 16.1752 16.1752 16.9091 16.9091 k = 0.0776 0.5000 0.0776 ( 2166 PWs) bands (ev): -7.1739 -7.1739 -7.1605 -7.1605 -6.1501 -6.1501 -6.1418 -6.1418 -6.1235 -6.1235 2.2191 2.2191 5.4060 5.4060 9.3987 9.3987 9.7580 9.7580 10.4500 10.4500 10.6221 10.6221 11.7261 11.7261 11.8145 11.8145 12.2723 12.2723 13.1230 13.1230 13.6508 13.6508 13.7928 13.7928 14.0232 14.0232 14.1871 14.1871 14.3156 14.3156 14.6910 14.6910 15.1474 15.1474 15.7842 15.7842 16.1308 16.1308 16.9431 16.9431 k = 0.0690 0.5000 0.0690 ( 2166 PWs) bands (ev): -7.1741 -7.1741 -7.1604 -7.1604 -6.1505 -6.1505 -6.1416 -6.1416 -6.1236 -6.1236 2.2018 2.2018 5.3854 5.3854 9.4106 9.4106 9.7944 9.7944 10.4930 10.4930 10.6290 10.6290 11.7302 11.7302 11.8177 11.8177 12.2447 12.2447 13.1244 13.1244 13.6520 13.6520 13.8162 13.8162 14.0383 14.0383 14.1751 14.1751 14.2929 14.2929 14.6953 14.6953 15.1692 15.1692 15.8021 15.8021 16.0880 16.0880 16.9779 16.9779 k = 0.0603 0.5000 0.0603 ( 2170 PWs) bands (ev): -7.1743 -7.1743 -7.1604 -7.1604 -6.1509 -6.1509 -6.1414 -6.1414 -6.1238 -6.1238 2.1866 2.1866 5.3671 5.3671 9.4208 9.4208 9.8274 9.8274 10.5317 10.5317 10.6360 10.6360 11.7336 11.7336 11.8202 11.8202 12.2196 12.2196 13.1259 13.1259 13.6528 13.6528 13.8407 13.8407 14.0516 14.0516 14.1642 14.1642 14.2701 14.2701 14.6979 14.6979 15.1913 15.1913 15.8186 15.8186 16.0473 16.0473 17.0129 17.0129 k = 0.0517 0.5000 0.0517 ( 2172 PWs) bands (ev): -7.1745 -7.1745 -7.1604 -7.1604 -6.1512 -6.1512 -6.1413 -6.1413 -6.1239 -6.1239 2.1733 2.1733 5.3513 5.3513 9.4296 9.4296 9.8565 9.8565 10.5658 10.5658 10.6429 10.6429 11.7363 11.7363 11.8222 11.8222 12.1971 12.1971 13.1274 13.1274 13.6533 13.6533 13.8660 13.8660 14.0631 14.0631 14.1541 14.1541 14.2474 14.2474 14.6992 14.6992 15.2135 15.2135 15.8334 15.8334 16.0094 16.0094 17.0473 17.0473 k = 0.0431 0.5000 0.0431 ( 2172 PWs) bands (ev): -7.1747 -7.1747 -7.1604 -7.1604 -6.1515 -6.1515 -6.1411 -6.1411 -6.1240 -6.1240 2.1620 2.1620 5.3378 5.3378 9.4369 9.4369 9.8816 9.8816 10.5950 10.5950 10.6495 10.6495 11.7384 11.7384 11.8237 11.8237 12.1776 12.1776 13.1289 13.1289 13.6537 13.6537 13.8918 13.8918 14.0726 14.0726 14.1446 14.1446 14.2257 14.2257 14.6998 14.6998 15.2346 15.2346 15.8463 15.8463 15.9753 15.9753 17.0800 17.0800 k = 0.0345 0.5000 0.0345 ( 2168 PWs) bands (ev): -7.1748 -7.1748 -7.1604 -7.1604 -6.1517 -6.1517 -6.1410 -6.1410 -6.1240 -6.1240 2.1528 2.1528 5.3268 5.3268 9.4428 9.4428 9.9026 9.9026 10.6189 10.6189 10.6557 10.6557 11.7401 11.7401 11.8248 11.8248 12.1613 12.1613 13.1303 13.1303 13.6539 13.6539 13.9174 13.9174 14.0798 14.0798 14.1349 14.1349 14.2060 14.2060 14.6999 14.6999 15.2538 15.2538 15.8565 15.8565 15.9459 15.9459 17.1098 17.1098 k = 0.0259 0.5000 0.0259 ( 2164 PWs) bands (ev): -7.1749 -7.1749 -7.1604 -7.1604 -6.1519 -6.1519 -6.1409 -6.1409 -6.1241 -6.1241 2.1456 2.1456 5.3182 5.3182 9.4474 9.4474 9.9190 9.9190 10.6372 10.6372 10.6613 10.6613 11.7413 11.7413 11.8257 11.8257 12.1483 12.1483 13.1314 13.1314 13.6540 13.6540 13.9420 13.9420 14.0848 14.0848 14.1239 14.1239 14.1901 14.1901 14.6997 14.6997 15.2703 15.2703 15.8636 15.8636 15.9228 15.9228 17.1352 17.1352 k = 0.0172 0.5000 0.0172 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1521 -6.1521 -6.1409 -6.1409 -6.1241 -6.1241 2.1405 2.1405 5.3121 5.3121 9.4506 9.4506 9.9309 9.9309 10.6494 10.6494 10.6665 10.6665 11.7421 11.7421 11.8262 11.8262 12.1388 12.1388 13.1322 13.1322 13.6541 13.6541 13.9644 13.9644 14.0879 14.0879 14.1114 14.1114 14.1792 14.1792 14.6994 14.6994 15.2831 15.2831 15.8663 15.8663 15.9077 15.9077 17.1548 17.1548 k = 0.0086 0.5000 0.0086 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1374 2.1374 5.3084 5.3084 9.4525 9.4525 9.9381 9.9381 10.6556 10.6556 10.6707 10.6707 11.7426 11.7426 11.8265 11.8265 12.1331 12.1331 13.1328 13.1328 13.6542 13.6542 13.9814 13.9814 14.0893 14.0893 14.1000 14.1000 14.1735 14.1735 14.6992 14.6992 15.2911 15.2911 15.8653 15.8653 15.9009 15.9009 17.1671 17.1671 k = 0.0000 0.5000-0.0000 ( 2168 PWs) bands (ev): -7.1750 -7.1750 -7.1604 -7.1604 -6.1522 -6.1522 -6.1408 -6.1408 -6.1242 -6.1242 2.1364 2.1364 5.3072 5.3072 9.4532 9.4532 9.9405 9.9405 10.6575 10.6575 10.6724 10.6724 11.7427 11.7427 11.8266 11.8266 12.1312 12.1312 13.1329 13.1329 13.6542 13.6542 13.9881 13.9881 14.0895 14.0895 14.0953 14.0953 14.1717 14.1717 14.6991 14.6991 15.2939 15.2939 15.8642 15.8642 15.8993 15.8993 17.1714 17.1714 k = 0.5000 0.5000-0.0000 ( 2192 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1376 -6.1376 -6.1092 -6.1092 3.0315 3.0315 6.8733 6.8733 7.7229 7.7229 7.7755 7.7755 9.9946 9.9946 10.9560 10.9560 11.0649 11.0649 11.8921 11.8921 13.1363 13.1363 13.1840 13.1840 13.3612 13.3612 13.4479 13.4479 13.9234 13.9234 14.2228 14.2228 14.3464 14.3464 14.6269 14.6269 14.8061 14.8061 15.6289 15.6289 15.6999 15.6999 16.9885 16.9885 k = 0.5000 0.5000 0.0122 ( 2188 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1532 -6.1532 -6.1375 -6.1375 -6.1092 -6.1092 3.0325 3.0325 6.8738 6.8738 7.7235 7.7235 7.7760 7.7760 9.9919 9.9919 10.9560 10.9560 11.0650 11.0650 11.8917 11.8917 13.1370 13.1370 13.1846 13.1846 13.3614 13.3614 13.4481 13.4481 13.9221 13.9221 14.2139 14.2139 14.3555 14.3555 14.6269 14.6269 14.8060 14.8060 15.6286 15.6286 15.6996 15.6996 16.9876 16.9876 k = 0.5000 0.5000 0.0244 ( 2180 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1533 -6.1533 -6.1374 -6.1374 -6.1092 -6.1092 3.0354 3.0354 6.8753 6.8753 7.7251 7.7251 7.7775 7.7775 9.9838 9.9838 10.9558 10.9558 11.0651 11.0651 11.8909 11.8909 13.1390 13.1390 13.1865 13.1865 13.3622 13.3622 13.4489 13.4489 13.9178 13.9178 14.1922 14.1922 14.3776 14.3776 14.6269 14.6269 14.8057 14.8057 15.6275 15.6275 15.6986 15.6986 16.9850 16.9850 k = 0.5000 0.5000 0.0366 ( 2180 PWs) bands (ev): -7.1672 -7.1672 -7.1599 -7.1599 -6.1534 -6.1534 -6.1373 -6.1373 -6.1093 -6.1093 3.0403 3.0403 6.8777 6.8777 7.7279 7.7279 7.7800 7.7800 9.9703 9.9703 10.9556 10.9556 11.0654 11.0654 11.8893 11.8893 13.1421 13.1421 13.1895 13.1895 13.3634 13.3634 13.4501 13.4501 13.9108 13.9108 14.1646 14.1646 14.4057 14.4057 14.6269 14.6269 14.8052 14.8052 15.6257 15.6257 15.6967 15.6967 16.9807 16.9807 k = 0.5000 0.5000 0.0488 ( 2176 PWs) bands (ev): -7.1671 -7.1671 -7.1600 -7.1600 -6.1535 -6.1535 -6.1371 -6.1371 -6.1094 -6.1094 3.0471 3.0471 6.8810 6.8810 7.7317 7.7317 7.7834 7.7834 9.9516 9.9516 10.9554 10.9554 11.0657 11.0657 11.8871 11.8871 13.1465 13.1465 13.1936 13.1936 13.3650 13.3650 13.4518 13.4518 13.9011 13.9011 14.1346 14.1346 14.4366 14.4366 14.6269 14.6269 14.8045 14.8045 15.6233 15.6233 15.6942 15.6942 16.9752 16.9752 k = 0.5000 0.5000 0.0610 ( 2176 PWs) bands (ev): -7.1671 -7.1671 -7.1601 -7.1601 -6.1537 -6.1537 -6.1369 -6.1369 -6.1095 -6.1095 3.0558 3.0558 6.8853 6.8853 7.7365 7.7365 7.7878 7.7878 9.9276 9.9276 10.9553 10.9553 11.0663 11.0663 11.8842 11.8842 13.1520 13.1520 13.1987 13.1987 13.3671 13.3671 13.4539 13.4539 13.8887 13.8887 14.1035 14.1035 14.4686 14.4686 14.6269 14.6269 14.8035 14.8035 15.6200 15.6200 15.6909 15.6909 16.9689 16.9689 k = 0.5000 0.5000 0.0732 ( 2176 PWs) bands (ev): -7.1671 -7.1671 -7.1602 -7.1602 -6.1540 -6.1540 -6.1366 -6.1366 -6.1097 -6.1097 3.0665 3.0665 6.8906 6.8906 7.7423 7.7423 7.7931 7.7931 9.8986 9.8986 10.9552 10.9552 11.0672 11.0672 11.8807 11.8807 13.1585 13.1585 13.2048 13.2048 13.3696 13.3696 13.4564 13.4564 13.8738 13.8738 14.0721 14.0721 14.5012 14.5012 14.6269 14.6269 14.8023 14.8023 15.6160 15.6160 15.6868 15.6868 16.9622 16.9622 k = 0.5000 0.5000 0.0854 ( 2172 PWs) bands (ev): -7.1670 -7.1670 -7.1603 -7.1603 -6.1542 -6.1542 -6.1362 -6.1362 -6.1099 -6.1099 3.0789 3.0789 6.8967 6.8967 7.7491 7.7491 7.7993 7.7993 9.8647 9.8647 10.9554 10.9554 11.0685 11.0685 11.8765 11.8765 13.1660 13.1660 13.2118 13.2118 13.3725 13.3725 13.4593 13.4593 13.8568 13.8568 14.0406 14.0406 14.5341 14.5341 14.6269 14.6269 14.8010 14.8010 15.6111 15.6111 15.6819 15.6819 16.9555 16.9555 k = 0.5000 0.5000 0.0976 ( 2172 PWs) bands (ev): -7.1670 -7.1670 -7.1604 -7.1604 -6.1546 -6.1546 -6.1358 -6.1358 -6.1101 -6.1101 3.0933 3.0933 6.9037 6.9037 7.7568 7.7568 7.8063 7.8063 9.8261 9.8261 10.9558 10.9558 11.0702 11.0702 11.8717 11.8717 13.1742 13.1742 13.2196 13.2196 13.3757 13.3757 13.4625 13.4625 13.8375 13.8375 14.0093 14.0093 14.5668 14.5668 14.6269 14.6269 14.7995 14.7995 15.6055 15.6055 15.6762 15.6762 16.9494 16.9494 k = 0.5000 0.5000 0.1098 ( 2172 PWs) bands (ev): -7.1669 -7.1669 -7.1605 -7.1605 -6.1549 -6.1549 -6.1354 -6.1354 -6.1103 -6.1103 3.1094 3.1094 6.9116 6.9116 7.7654 7.7654 7.8141 7.8141 9.7831 9.7831 10.9566 10.9566 11.0725 11.0725 11.8662 11.8662 13.1830 13.1830 13.2280 13.2280 13.3792 13.3792 13.4660 13.4660 13.8163 13.8163 13.9783 13.9783 14.5991 14.5991 14.6269 14.6269 14.7980 14.7980 15.5991 15.5991 15.6696 15.6696 16.9441 16.9441 k = 0.5000 0.5000 0.1220 ( 2180 PWs) bands (ev): -7.1669 -7.1669 -7.1607 -7.1607 -6.1553 -6.1553 -6.1349 -6.1349 -6.1105 -6.1105 3.1272 3.1272 6.9204 6.9204 7.7747 7.7747 7.8225 7.8225 9.7358 9.7358 10.9579 10.9579 11.0755 11.0755 11.8600 11.8600 13.1924 13.1924 13.2369 13.2369 13.3830 13.3830 13.4696 13.4696 13.7931 13.7931 13.9477 13.9477 14.6269 14.6269 14.6309 14.6309 14.7966 14.7966 15.5918 15.5918 15.6621 15.6621 16.9401 16.9401 k = 0.5000 0.5000 0.1341 ( 2180 PWs) bands (ev): -7.1668 -7.1668 -7.1608 -7.1608 -6.1557 -6.1557 -6.1343 -6.1343 -6.1108 -6.1108 3.1467 3.1467 6.9299 6.9299 7.7848 7.7848 7.8317 7.8317 9.6845 9.6845 10.9598 10.9598 11.0793 11.0793 11.8532 11.8532 13.2022 13.2022 13.2462 13.2462 13.3869 13.3869 13.4734 13.4734 13.7687 13.7687 13.9176 13.9176 14.6269 14.6269 14.6617 14.6617 14.7956 14.7956 15.5837 15.5837 15.6538 15.6538 16.9376 16.9376 k = 0.5000 0.5000 0.1463 ( 2188 PWs) bands (ev): -7.1667 -7.1667 -7.1610 -7.1610 -6.1562 -6.1562 -6.1337 -6.1337 -6.1111 -6.1111 3.1679 3.1679 6.9402 6.9402 7.7955 7.7955 7.8413 7.8413 9.6296 9.6296 10.9624 10.9624 11.0840 11.0840 11.8456 11.8456 13.2122 13.2122 13.2558 13.2558 13.3908 13.3908 13.4771 13.4771 13.7431 13.7431 13.8879 13.8879 14.6268 14.6268 14.6908 14.6908 14.7956 14.7956 15.5747 15.5747 15.6446 15.6446 16.9367 16.9367 k = 0.5000 0.5000 0.1585 ( 2196 PWs) bands (ev): -7.1667 -7.1667 -7.1612 -7.1612 -6.1567 -6.1567 -6.1331 -6.1331 -6.1113 -6.1113 3.1907 3.1907 6.9512 6.9512 7.8068 7.8068 7.8515 7.8515 9.5712 9.5712 10.9659 10.9659 11.0898 11.0898 11.8375 11.8375 13.2222 13.2222 13.2655 13.2655 13.3947 13.3947 13.4807 13.4807 13.7164 13.7164 13.8590 13.8590 14.6267 14.6267 14.7166 14.7166 14.7979 14.7979 15.5648 15.5648 15.6344 15.6344 16.9377 16.9377 k = 0.5000 0.5000 0.1707 ( 2196 PWs) bands (ev): -7.1666 -7.1666 -7.1614 -7.1614 -6.1572 -6.1572 -6.1325 -6.1325 -6.1116 -6.1116 3.2149 3.2149 6.9629 6.9629 7.8187 7.8187 7.8621 7.8621 9.5099 9.5099 10.9704 10.9704 11.0969 11.0969 11.8287 11.8287 13.2324 13.2324 13.2754 13.2754 13.3984 13.3984 13.4840 13.4840 13.6891 13.6891 13.8308 13.8308 14.6267 14.6267 14.7364 14.7364 14.8056 14.8056 15.5541 15.5541 15.6233 15.6233 16.9405 16.9405 k = 0.5000 0.5000 0.1829 ( 2188 PWs) bands (ev): -7.1665 -7.1665 -7.1616 -7.1616 -6.1578 -6.1578 -6.1318 -6.1318 -6.1119 -6.1119 3.2406 3.2406 6.9753 6.9753 7.8309 7.8309 7.8731 7.8731 9.4458 9.4458 10.9759 10.9759 11.1052 11.1052 11.8193 11.8193 13.2424 13.2424 13.2852 13.2852 13.4018 13.4018 13.4870 13.4870 13.6614 13.6614 13.8033 13.8033 14.6267 14.6267 14.7472 14.7472 14.8214 14.8214 15.5425 15.5425 15.6112 15.6112 16.9453 16.9453 k = 0.5000 0.5000 0.1951 ( 2180 PWs) bands (ev): -7.1665 -7.1665 -7.1618 -7.1618 -6.1584 -6.1584 -6.1311 -6.1311 -6.1122 -6.1122 3.2677 3.2677 6.9882 6.9882 7.8435 7.8435 7.8844 7.8844 9.3793 9.3793 10.9826 10.9826 11.1149 11.1149 11.8093 11.8093 13.2523 13.2523 13.2949 13.2949 13.4045 13.4045 13.4895 13.4895 13.6335 13.6335 13.7767 13.7767 14.6268 14.6268 14.7506 14.7506 14.8437 14.8437 15.5300 15.5300 15.5982 15.5982 16.9519 16.9519 k = 0.5000 0.5000 0.2073 ( 2188 PWs) bands (ev): -7.1664 -7.1664 -7.1620 -7.1620 -6.1590 -6.1590 -6.1303 -6.1303 -6.1126 -6.1126 3.2959 3.2959 7.0017 7.0017 7.8563 7.8563 7.8958 7.8958 9.3107 9.3107 10.9905 10.9905 11.1261 11.1261 11.7987 11.7987 13.2617 13.2617 13.3043 13.3043 13.4064 13.4064 13.4911 13.4911 13.6056 13.6056 13.7508 13.7508 14.6266 14.6266 14.7498 14.7498 14.8690 14.8690 15.5166 15.5166 15.5842 15.5842 16.9602 16.9602 k = 0.5000 0.5000 0.2195 ( 2188 PWs) bands (ev): -7.1664 -7.1664 -7.1622 -7.1622 -6.1596 -6.1596 -6.1296 -6.1296 -6.1129 -6.1129 3.3252 3.3252 7.0156 7.0156 7.8693 7.8693 7.9073 7.9073 9.2405 9.2405 10.9997 10.9997 11.1388 11.1388 11.7875 11.7875 13.2708 13.2708 13.3134 13.3134 13.4072 13.4072 13.4918 13.4918 13.5783 13.5783 13.7258 13.7258 14.6265 14.6265 14.7469 14.7469 14.8954 14.8954 15.5025 15.5025 15.5693 15.5693 16.9701 16.9701 k = 0.5000 0.5000 0.2317 ( 2176 PWs) bands (ev): -7.1663 -7.1663 -7.1624 -7.1624 -6.1602 -6.1602 -6.1288 -6.1288 -6.1132 -6.1132 3.3556 3.3556 7.0299 7.0299 7.8823 7.8823 7.9189 7.9189 9.1691 9.1691 11.0103 11.0103 11.1532 11.1532 11.7760 11.7760 13.2795 13.2795 13.3223 13.3223 13.4066 13.4066 13.4914 13.4914 13.5519 13.5519 13.7017 13.7017 14.6266 14.6266 14.7427 14.7427 14.9219 14.9219 15.4877 15.4877 15.5536 15.5536 16.9815 16.9815 k = 0.5000 0.5000 0.2439 ( 2188 PWs) bands (ev): -7.1662 -7.1662 -7.1627 -7.1627 -6.1609 -6.1609 -6.1280 -6.1280 -6.1135 -6.1135 3.3868 3.3868 7.0445 7.0445 7.8953 7.8953 7.9304 7.9304 9.0967 9.0967 11.0222 11.0222 11.1692 11.1692 11.7639 11.7639 13.2875 13.2875 13.3306 13.3306 13.4040 13.4040 13.4896 13.4896 13.5264 13.5264 13.6786 13.6786 14.6264 14.6264 14.7376 14.7376 14.9480 14.9480 15.4721 15.4721 15.5370 15.5370 16.9942 16.9942 k = 0.5000 0.5000 0.2561 ( 2188 PWs) bands (ev): -7.1662 -7.1662 -7.1629 -7.1629 -6.1615 -6.1615 -6.1272 -6.1272 -6.1138 -6.1138 3.4187 3.4187 7.0593 7.0593 7.9082 7.9082 7.9418 7.9418 9.0238 9.0238 11.0355 11.0355 11.1869 11.1869 11.7516 11.7516 13.2949 13.2949 13.3384 13.3384 13.3993 13.3993 13.4865 13.4865 13.5027 13.5027 13.6564 13.6564 14.6264 14.6264 14.7321 14.7321 14.9735 14.9735 15.4560 15.4560 15.5197 15.5197 17.0080 17.0080 k = 0.5000 0.5000 0.2683 ( 2188 PWs) bands (ev): -7.1661 -7.1661 -7.1631 -7.1631 -6.1622 -6.1622 -6.1265 -6.1265 -6.1140 -6.1140 3.4512 3.4512 7.0743 7.0743 7.9209 7.9209 7.9529 7.9529 8.9507 8.9507 11.0501 11.0501 11.2063 11.2063 11.7389 11.7389 13.3014 13.3014 13.3457 13.3457 13.3921 13.3921 13.4811 13.4811 13.4818 13.4818 13.6353 13.6353 14.6263 14.6263 14.7260 14.7260 14.9983 14.9983 15.4395 15.4395 15.5018 15.5018 17.0227 17.0227 k = 0.5000 0.5000 0.2805 ( 2188 PWs) bands (ev): -7.1661 -7.1661 -7.1633 -7.1633 -6.1628 -6.1628 -6.1257 -6.1257 -6.1143 -6.1143 3.4841 3.4841 7.0894 7.0894 7.9333 7.9333 7.9639 7.9639 8.8779 8.8779 11.0661 11.0661 11.2273 11.2273 11.7262 11.7262 13.3066 13.3066 13.3522 13.3522 13.3823 13.3823 13.4619 13.4619 13.4756 13.4756 13.6153 13.6153 14.6263 14.6263 14.7196 14.7196 15.0221 15.0221 15.4227 15.4227 15.4835 15.4835 17.0382 17.0382 k = 0.5000 0.5000 0.2927 ( 2204 PWs) bands (ev): -7.1660 -7.1660 -7.1636 -7.1636 -6.1635 -6.1635 -6.1249 -6.1249 -6.1146 -6.1146 3.5172 3.5172 7.1045 7.1045 7.9454 7.9454 7.9744 7.9744 8.8057 8.8057 11.0832 11.0832 11.2499 11.2499 11.7134 11.7134 13.3097 13.3097 13.3576 13.3576 13.3709 13.3709 13.4449 13.4449 13.4679 13.4679 13.5963 13.5963 14.6262 14.6262 14.7127 14.7127 15.0449 15.0449 15.4057 15.4057 15.4647 15.4647 17.0540 17.0540 k = 0.5000 0.5000 0.3049 ( 2204 PWs) bands (ev): -7.1660 -7.1660 -7.1638 -7.1638 -6.1641 -6.1641 -6.1241 -6.1241 -6.1149 -6.1149 3.5504 3.5504 7.1195 7.1195 7.9571 7.9571 7.9846 7.9846 8.7347 8.7347 11.1014 11.1014 11.2740 11.2740 11.7008 11.7008 13.3094 13.3094 13.3599 13.3599 13.3620 13.3620 13.4298 13.4298 13.4589 13.4589 13.5784 13.5784 14.6261 14.6261 14.7057 14.7057 15.0667 15.0667 15.3888 15.3888 15.4459 15.4459 17.0220 17.0220 k = 0.5000 0.5000 0.3171 ( 2196 PWs) bands (ev): -7.1660 -7.1660 -7.1640 -7.1640 -6.1648 -6.1648 -6.1234 -6.1234 -6.1151 -6.1151 3.5833 3.5833 7.1342 7.1342 7.9684 7.9684 7.9944 7.9944 8.6652 8.6652 11.1205 11.1205 11.2994 11.2994 11.6885 11.6885 13.3035 13.3035 13.3518 13.3518 13.3647 13.3647 13.4159 13.4159 13.4492 13.4492 13.5617 13.5617 14.6262 14.6262 14.6987 14.6987 15.0876 15.0876 15.3722 15.3722 15.4272 15.4272 16.9442 16.9442 k = 0.5000 0.5000 0.3293 ( 2212 PWs) bands (ev): -7.1659 -7.1659 -7.1642 -7.1642 -6.1654 -6.1654 -6.1226 -6.1226 -6.1153 -6.1153 3.6159 3.6159 7.1486 7.1486 7.9790 7.9790 8.0036 8.0036 8.5975 8.5975 11.1402 11.1402 11.3261 11.3261 11.6766 11.6766 13.2919 13.2919 13.3469 13.3469 13.3649 13.3649 13.4032 13.4032 13.4394 13.4394 13.5460 13.5460 14.6260 14.6260 14.6914 14.6914 15.1070 15.1070 15.3559 15.3559 15.4087 15.4087 16.8720 16.8720 k = 0.5000 0.5000 0.3415 ( 2208 PWs) bands (ev): -7.1659 -7.1659 -7.1644 -7.1644 -6.1660 -6.1660 -6.1219 -6.1219 -6.1156 -6.1156 3.6478 3.6478 7.1627 7.1627 7.9892 7.9892 8.0124 8.0124 8.5322 8.5322 11.1604 11.1604 11.3537 11.3537 11.6654 11.6654 13.2769 13.2769 13.3421 13.3421 13.3617 13.3617 13.3928 13.3928 13.4308 13.4308 13.5317 13.5317 14.6259 14.6259 14.6843 14.6843 15.1253 15.1253 15.3403 15.3403 15.3906 15.3906 16.8055 16.8055 k = 0.5000 0.5000 0.3537 ( 2216 PWs) bands (ev): -7.1659 -7.1659 -7.1646 -7.1646 -6.1665 -6.1665 -6.1213 -6.1213 -6.1158 -6.1158 3.6789 3.6789 7.1762 7.1762 7.9986 7.9986 8.0205 8.0205 8.4695 8.4695 11.1807 11.1807 11.3821 11.3821 11.6551 11.6551 13.2606 13.2606 13.3340 13.3340 13.3541 13.3541 13.3859 13.3859 13.4242 13.4242 13.5187 13.5187 14.6258 14.6258 14.6771 14.6771 15.1422 15.1422 15.3254 15.3254 15.3732 15.3732 16.7446 16.7446 k = 0.5000 0.5000 0.3659 ( 2216 PWs) bands (ev): -7.1658 -7.1658 -7.1647 -7.1647 -6.1671 -6.1671 -6.1206 -6.1206 -6.1159 -6.1159 3.7088 3.7088 7.1891 7.1891 8.0075 8.0075 8.0281 8.0281 8.4100 8.4100 11.2007 11.2007 11.4109 11.4109 11.6458 11.6458 13.2441 13.2441 13.3216 13.3216 13.3420 13.3420 13.3832 13.3832 13.4200 13.4200 13.5073 13.5073 14.6258 14.6258 14.6701 14.6701 15.1578 15.1578 15.3117 15.3117 15.3567 15.3567 16.6891 16.6891 k = 0.5000 0.5000 0.3780 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1649 -7.1649 -6.1676 -6.1676 -6.1200 -6.1200 -6.1161 -6.1161 3.7373 3.7373 7.2013 7.2013 8.0156 8.0156 8.0351 8.0351 8.3539 8.3539 11.2201 11.2201 11.4397 11.4397 11.6379 11.6379 13.2279 13.2279 13.3059 13.3059 13.3265 13.3265 13.3830 13.3830 13.4171 13.4171 13.4974 13.4974 14.6257 14.6257 14.6633 14.6633 15.1719 15.1719 15.2990 15.2990 15.3412 15.3412 16.6390 16.6390 k = 0.5000 0.5000 0.3902 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1650 -7.1650 -6.1680 -6.1680 -6.1195 -6.1195 -6.1163 -6.1163 3.7642 3.7642 7.2127 7.2127 8.0231 8.0231 8.0414 8.0414 8.3018 8.3018 11.2385 11.2385 11.4682 11.4682 11.6313 11.6313 13.2123 13.2123 13.2886 13.2886 13.3089 13.3089 13.3843 13.3843 13.4150 13.4150 13.4893 13.4893 14.6257 14.6257 14.6569 14.6569 15.1844 15.1844 15.2878 15.2878 15.3269 15.3269 16.5942 16.5942 k = 0.5000 0.5000 0.4024 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1652 -7.1652 -6.1685 -6.1685 -6.1190 -6.1190 -6.1164 -6.1164 3.7892 3.7892 7.2232 7.2232 8.0297 8.0297 8.0470 8.0470 8.2541 8.2541 11.2554 11.2554 11.4959 11.4959 11.6264 11.6264 13.1973 13.1973 13.2708 13.2708 13.2902 13.2902 13.3862 13.3862 13.4128 13.4128 13.4829 13.4829 14.6256 14.6256 14.6508 14.6508 15.1951 15.1951 15.2783 15.2783 15.3138 15.3138 16.5545 16.5545 k = 0.5000 0.5000 0.4146 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1653 -7.1653 -6.1688 -6.1688 -6.1185 -6.1185 -6.1166 -6.1166 3.8119 3.8119 7.2327 7.2327 8.0357 8.0357 8.0519 8.0519 8.2110 8.2110 11.2706 11.2706 11.5223 11.5223 11.6230 11.6230 13.1829 13.1829 13.2536 13.2536 13.2713 13.2713 13.3883 13.3883 13.4103 13.4103 13.4783 13.4783 14.6256 14.6256 14.6453 14.6453 15.2037 15.2037 15.2706 15.2706 15.3022 15.3022 16.5198 16.5198 k = 0.5000 0.5000 0.4268 ( 2224 PWs) bands (ev): -7.1658 -7.1658 -7.1654 -7.1654 -6.1692 -6.1692 -6.1181 -6.1181 -6.1167 -6.1167 3.8322 3.8322 7.2412 7.2412 8.0408 8.0408 8.0561 8.0561 8.1730 8.1730 11.2837 11.2837 11.5468 11.5468 11.6212 11.6212 13.1692 13.1692 13.2378 13.2378 13.2531 13.2531 13.3902 13.3902 13.4076 13.4076 13.4751 13.4751 14.6256 14.6256 14.6403 14.6403 15.2101 15.2101 15.2651 15.2651 15.2920 15.2920 16.4900 16.4900 k = 0.5000 0.5000 0.4390 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1655 -7.1655 -6.1695 -6.1695 -6.1178 -6.1178 -6.1168 -6.1168 3.8499 3.8499 7.2484 7.2484 8.0452 8.0452 8.0594 8.0594 8.1404 8.1404 11.2946 11.2946 11.5689 11.5689 11.6206 11.6206 13.1565 13.1565 13.2239 13.2239 13.2362 13.2362 13.3921 13.3921 13.4047 13.4047 13.4730 13.4730 14.6256 14.6256 14.6359 14.6359 15.2139 15.2139 15.2621 15.2621 15.2833 15.2833 16.4649 16.4649 k = 0.5000 0.5000 0.4512 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1656 -7.1656 -6.1697 -6.1697 -6.1175 -6.1175 -6.1168 -6.1168 3.8647 3.8647 7.2545 7.2545 8.0488 8.0488 8.0618 8.0618 8.1138 8.1138 11.3033 11.3033 11.5879 11.5879 11.6211 11.6211 13.1449 13.1449 13.2125 13.2125 13.2213 13.2213 13.3936 13.3936 13.4020 13.4020 13.4717 13.4717 14.6256 14.6256 14.6323 14.6323 15.2155 15.2155 15.2611 15.2611 15.2762 15.2762 16.4446 16.4446 k = 0.5000 0.5000 0.4634 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1656 -7.1656 -6.1699 -6.1699 -6.1173 -6.1173 -6.1169 -6.1169 3.8764 3.8764 7.2592 7.2592 8.0516 8.0516 8.0626 8.0626 8.0939 8.0939 11.3099 11.3099 11.6034 11.6034 11.6220 11.6220 13.1350 13.1350 13.2036 13.2036 13.2091 13.2091 13.3948 13.3948 13.3997 13.3997 13.4710 13.4710 14.6255 14.6255 14.6294 14.6294 15.2156 15.2156 15.2615 15.2615 15.2707 15.2707 16.4289 16.4289 k = 0.5000 0.5000 0.4756 ( 2224 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1700 -6.1700 -6.1171 -6.1171 -6.1169 -6.1169 3.8848 3.8848 7.2626 7.2626 8.0536 8.0536 8.0608 8.0608 8.0818 8.0818 11.3144 11.3144 11.6149 11.6149 11.6231 11.6231 13.1274 13.1274 13.1974 13.1974 13.2000 13.2000 13.3958 13.3958 13.3980 13.3980 13.4706 13.4706 14.6255 14.6255 14.6272 14.6272 15.2151 15.2151 15.2625 15.2625 15.2667 15.2667 16.4177 16.4177 k = 0.5000 0.5000 0.4878 ( 2208 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8900 3.8900 7.2647 7.2647 8.0549 8.0549 8.0571 8.0571 8.0772 8.0772 11.3171 11.3171 11.6219 11.6219 11.6240 11.6240 13.1228 13.1228 13.1938 13.1938 13.1944 13.1944 13.3964 13.3964 13.3969 13.3969 13.4705 13.4705 14.6256 14.6256 14.6262 14.6262 15.2147 15.2147 15.2634 15.2634 15.2645 15.2645 16.4110 16.4110 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -7.1657 -7.1657 -7.1657 -7.1657 -6.1701 -6.1701 -6.1170 -6.1170 -6.1170 -6.1170 3.8917 3.8917 7.2654 7.2654 8.0553 8.0553 8.0553 8.0553 8.0763 8.0763 11.3179 11.3179 11.6243 11.6243 11.6243 11.6243 13.1214 13.1214 13.1928 13.1928 13.1928 13.1928 13.3967 13.3967 13.3967 13.3967 13.4706 13.4706 14.6259 14.6259 14.6259 14.6259 15.2148 15.2148 15.2640 15.2640 15.2640 15.2640 16.4088 16.4088 Writing output data file Fe3SnC.save init_run : 0.25s CPU 0.71s WALL ( 1 calls) electrons : 80.38s CPU 82.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 80.37s CPU 82.55s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 316 calls) cegterg : 71.47s CPU 72.70s WALL ( 318 calls) Called by sum_band: Called by *egterg: h_psi : 36.09s CPU 37.13s WALL ( 4805 calls) s_psi : 3.82s CPU 3.86s WALL ( 4805 calls) g_psi : 0.11s CPU 0.11s WALL ( 4171 calls) cdiaghg : 31.26s CPU 31.51s WALL ( 4487 calls) cegterg:over : 3.01s CPU 2.89s WALL ( 4171 calls) cegterg:upda : 1.79s CPU 1.84s WALL ( 4171 calls) cegterg:last : 1.24s CPU 1.30s WALL ( 950 calls) cdiaghg:chol : 1.69s CPU 1.71s WALL ( 4487 calls) cdiaghg:inve : 1.17s CPU 1.16s WALL ( 4487 calls) cdiaghg:para : 1.89s CPU 1.82s WALL ( 8974 calls) Called by h_psi: h_psi:vloc : 28.25s CPU 28.92s WALL ( 4805 calls) h_psi:vnl : 7.76s CPU 8.12s WALL ( 4805 calls) add_vuspsi : 4.48s CPU 4.47s WALL ( 4805 calls) General routines calbec : 3.28s CPU 3.63s WALL ( 4805 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.08s CPU 26.73s WALL ( 651764 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.14s WALL ( 632 calls) Parallel routines fft_scatter : 12.81s CPU 13.26s WALL ( 651787 calls) PWSCF : 1m32.54s CPU 2m 1.50s WALL This run was terminated on: 16:57:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=