Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 5:38 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: ./Sc3SnB.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 66 33 9 2434 867 139 Max 67 34 10 2439 890 144 Sum 2385 1201 357 87655 31559 5137 bravais-lattice index = 14 lattice parameter (alat) = 8.6379 a.u. unit-cell volume = 644.5108 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.637937 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 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. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Sn 14.00 118.71000 Sn( 1.00) Sc 11.00 44.95590 Sc( 1.00) B 3.00 10.81100 B( 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183673), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938775), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816326), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183674 0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183674), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938776), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816327), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 Dense grid: 87655 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 31559 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 234, 60) NL pseudopotentials 0.27 Mb ( 117, 150) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2436) G-vector shells 0.00 Mb ( 508) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 234, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./Sc3SnB.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.6 secs Computing kpt #: 7 total cpu time spent up to now is 13.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.8 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.6 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.4 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.8 secs Computing kpt #: 14 total cpu time spent up to now is 26.0 secs Computing kpt #: 15 total cpu time spent up to now is 27.1 secs Computing kpt #: 16 total cpu time spent up to now is 28.1 secs Computing kpt #: 17 total cpu time spent up to now is 29.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.3 secs Computing kpt #: 19 total cpu time spent up to now is 31.4 secs Computing kpt #: 20 total cpu time spent up to now is 32.9 secs Computing kpt #: 21 total cpu time spent up to now is 34.4 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.1 secs Computing kpt #: 23 total cpu time spent up to now is 37.5 secs Computing kpt #: 24 total cpu time spent up to now is 39.0 secs Computing kpt #: 25 total cpu time spent up to now is 40.5 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.1 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.8 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.5 secs Computing kpt #: 29 total cpu time spent up to now is 47.0 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.6 secs Computing kpt #: 31 total cpu time spent up to now is 50.2 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.9 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.3 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.0 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.3 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.3 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.8 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.5 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.0 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.8 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.5 secs Computing kpt #: 49 total cpu time spent up to now is 80.6 secs Computing kpt #: 50 total cpu time spent up to now is 81.5 secs Computing kpt #: 51 total cpu time spent up to now is 82.5 secs Computing kpt #: 52 total cpu time spent up to now is 83.3 secs Computing kpt #: 53 total cpu time spent up to now is 84.2 secs Computing kpt #: 54 total cpu time spent up to now is 85.2 secs Computing kpt #: 55 total cpu time spent up to now is 86.1 secs Computing kpt #: 56 total cpu time spent up to now is 87.1 secs Computing kpt #: 57 total cpu time spent up to now is 88.1 secs Computing kpt #: 58 total cpu time spent up to now is 89.1 secs Computing kpt #: 59 total cpu time spent up to now is 90.2 secs Computing kpt #: 60 total cpu time spent up to now is 91.2 secs Computing kpt #: 61 total cpu time spent up to now is 92.2 secs Computing kpt #: 62 total cpu time spent up to now is 93.3 secs Computing kpt #: 63 total cpu time spent up to now is 94.3 secs Computing kpt #: 64 total cpu time spent up to now is 95.3 secs Computing kpt #: 65 total cpu time spent up to now is 96.3 secs Computing kpt #: 66 total cpu time spent up to now is 97.3 secs Computing kpt #: 67 total cpu time spent up to now is 98.2 secs Computing kpt #: 68 total cpu time spent up to now is 99.1 secs Computing kpt #: 69 total cpu time spent up to now is 99.9 secs Computing kpt #: 70 total cpu time spent up to now is 100.6 secs Computing kpt #: 71 total cpu time spent up to now is 102.8 secs Computing kpt #: 72 total cpu time spent up to now is 103.4 secs Computing kpt #: 73 total cpu time spent up to now is 104.1 secs Computing kpt #: 74 total cpu time spent up to now is 104.8 secs Computing kpt #: 75 total cpu time spent up to now is 105.5 secs Computing kpt #: 76 total cpu time spent up to now is 106.3 secs Computing kpt #: 77 total cpu time spent up to now is 107.0 secs Computing kpt #: 78 total cpu time spent up to now is 107.8 secs Computing kpt #: 79 total cpu time spent up to now is 108.6 secs Computing kpt #: 80 total cpu time spent up to now is 109.4 secs Computing kpt #: 81 total cpu time spent up to now is 110.2 secs Computing kpt #: 82 total cpu time spent up to now is 111.1 secs Computing kpt #: 83 total cpu time spent up to now is 112.1 secs Computing kpt #: 84 total cpu time spent up to now is 113.1 secs Computing kpt #: 85 total cpu time spent up to now is 114.2 secs Computing kpt #: 86 total cpu time spent up to now is 115.3 secs Computing kpt #: 87 total cpu time spent up to now is 116.3 secs Computing kpt #: 88 total cpu time spent up to now is 117.3 secs Computing kpt #: 89 total cpu time spent up to now is 118.4 secs Computing kpt #: 90 total cpu time spent up to now is 119.5 secs Computing kpt #: 91 total cpu time spent up to now is 120.6 secs Computing kpt #: 92 total cpu time spent up to now is 121.6 secs Computing kpt #: 93 total cpu time spent up to now is 122.6 secs Computing kpt #: 94 total cpu time spent up to now is 123.6 secs Computing kpt #: 95 total cpu time spent up to now is 124.6 secs Computing kpt #: 96 total cpu time spent up to now is 125.4 secs Computing kpt #: 97 total cpu time spent up to now is 126.3 secs Computing kpt #: 98 total cpu time spent up to now is 127.1 secs Computing kpt #: 99 total cpu time spent up to now is 127.9 secs Computing kpt #: 100 total cpu time spent up to now is 128.6 secs Computing kpt #: 101 total cpu time spent up to now is 129.4 secs Computing kpt #: 102 total cpu time spent up to now is 130.2 secs Computing kpt #: 103 total cpu time spent up to now is 130.9 secs Computing kpt #: 104 total cpu time spent up to now is 131.6 secs Computing kpt #: 105 total cpu time spent up to now is 132.4 secs Computing kpt #: 106 total cpu time spent up to now is 133.2 secs Computing kpt #: 107 total cpu time spent up to now is 133.9 secs Computing kpt #: 108 total cpu time spent up to now is 134.7 secs Computing kpt #: 109 total cpu time spent up to now is 135.5 secs Computing kpt #: 110 total cpu time spent up to now is 136.2 secs Computing kpt #: 111 total cpu time spent up to now is 137.2 secs Computing kpt #: 112 total cpu time spent up to now is 138.0 secs Computing kpt #: 113 total cpu time spent up to now is 139.0 secs Computing kpt #: 114 total cpu time spent up to now is 139.9 secs Computing kpt #: 115 total cpu time spent up to now is 140.8 secs Computing kpt #: 116 total cpu time spent up to now is 141.8 secs Computing kpt #: 117 total cpu time spent up to now is 142.8 secs Computing kpt #: 118 total cpu time spent up to now is 143.8 secs Computing kpt #: 119 total cpu time spent up to now is 144.8 secs Computing kpt #: 120 total cpu time spent up to now is 146.1 secs Computing kpt #: 121 total cpu time spent up to now is 147.4 secs Computing kpt #: 122 total cpu time spent up to now is 148.9 secs Computing kpt #: 123 total cpu time spent up to now is 150.4 secs Computing kpt #: 124 total cpu time spent up to now is 151.7 secs Computing kpt #: 125 total cpu time spent up to now is 152.7 secs Computing kpt #: 126 total cpu time spent up to now is 153.8 secs Computing kpt #: 127 total cpu time spent up to now is 154.8 secs Computing kpt #: 128 total cpu time spent up to now is 155.8 secs Computing kpt #: 129 total cpu time spent up to now is 156.7 secs Computing kpt #: 130 total cpu time spent up to now is 157.6 secs Computing kpt #: 131 total cpu time spent up to now is 158.4 secs Computing kpt #: 132 total cpu time spent up to now is 159.3 secs Computing kpt #: 133 total cpu time spent up to now is 160.1 secs Computing kpt #: 134 total cpu time spent up to now is 161.0 secs Computing kpt #: 135 total cpu time spent up to now is 161.8 secs Computing kpt #: 136 total cpu time spent up to now is 162.7 secs Computing kpt #: 137 total cpu time spent up to now is 163.6 secs Computing kpt #: 138 total cpu time spent up to now is 164.5 secs Computing kpt #: 139 total cpu time spent up to now is 165.5 secs Computing kpt #: 140 total cpu time spent up to now is 166.4 secs Computing kpt #: 141 total cpu time spent up to now is 167.3 secs Computing kpt #: 142 total cpu time spent up to now is 168.3 secs Computing kpt #: 143 total cpu time spent up to now is 169.4 secs Computing kpt #: 144 total cpu time spent up to now is 170.5 secs Computing kpt #: 145 total cpu time spent up to now is 171.5 secs Computing kpt #: 146 total cpu time spent up to now is 172.4 secs Computing kpt #: 147 total cpu time spent up to now is 173.4 secs Computing kpt #: 148 total cpu time spent up to now is 174.3 secs Computing kpt #: 149 total cpu time spent up to now is 175.2 secs Computing kpt #: 150 total cpu time spent up to now is 176.2 secs Computing kpt #: 151 total cpu time spent up to now is 177.0 secs Computing kpt #: 152 total cpu time spent up to now is 178.0 secs Computing kpt #: 153 total cpu time spent up to now is 178.9 secs Computing kpt #: 154 total cpu time spent up to now is 180.0 secs Computing kpt #: 155 total cpu time spent up to now is 181.1 secs Computing kpt #: 156 total cpu time spent up to now is 182.2 secs Computing kpt #: 157 total cpu time spent up to now is 183.5 secs Computing kpt #: 158 total cpu time spent up to now is 184.8 secs Computing kpt #: 159 total cpu time spent up to now is 185.9 secs Computing kpt #: 160 total cpu time spent up to now is 187.3 secs Computing kpt #: 161 total cpu time spent up to now is 188.7 secs Computing kpt #: 162 total cpu time spent up to now is 190.0 secs Computing kpt #: 163 total cpu time spent up to now is 191.3 secs Computing kpt #: 164 total cpu time spent up to now is 192.7 secs Computing kpt #: 165 total cpu time spent up to now is 194.0 secs Computing kpt #: 166 total cpu time spent up to now is 198.4 secs Computing kpt #: 167 total cpu time spent up to now is 199.8 secs Computing kpt #: 168 total cpu time spent up to now is 201.2 secs Computing kpt #: 169 total cpu time spent up to now is 202.7 secs Computing kpt #: 170 total cpu time spent up to now is 204.1 secs Computing kpt #: 171 total cpu time spent up to now is 205.8 secs Computing kpt #: 172 total cpu time spent up to now is 207.2 secs Computing kpt #: 173 total cpu time spent up to now is 208.7 secs Computing kpt #: 174 total cpu time spent up to now is 210.0 secs Computing kpt #: 175 total cpu time spent up to now is 211.3 secs Computing kpt #: 176 total cpu time spent up to now is 212.7 secs Computing kpt #: 177 total cpu time spent up to now is 213.7 secs Computing kpt #: 178 total cpu time spent up to now is 214.7 secs Computing kpt #: 179 total cpu time spent up to now is 215.7 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.4 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.2 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.0 secs Computing kpt #: 183 total cpu time spent up to now is 221.8 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.5 secs Computing kpt #: 185 total cpu time spent up to now is 224.8 secs Computing kpt #: 186 total cpu time spent up to now is 225.9 secs Computing kpt #: 187 total cpu time spent up to now is 227.0 secs Computing kpt #: 188 total cpu time spent up to now is 228.0 secs Computing kpt #: 189 total cpu time spent up to now is 228.9 secs Computing kpt #: 190 total cpu time spent up to now is 229.9 secs Computing kpt #: 191 total cpu time spent up to now is 231.0 secs Computing kpt #: 192 total cpu time spent up to now is 232.0 secs Computing kpt #: 193 total cpu time spent up to now is 233.4 secs Computing kpt #: 194 total cpu time spent up to now is 234.7 secs Computing kpt #: 195 total cpu time spent up to now is 236.1 secs Computing kpt #: 196 total cpu time spent up to now is 237.5 secs Computing kpt #: 197 total cpu time spent up to now is 238.8 secs Computing kpt #: 198 total cpu time spent up to now is 240.2 secs Computing kpt #: 199 total cpu time spent up to now is 241.6 secs Computing kpt #: 200 total cpu time spent up to now is 243.0 secs Computing kpt #: 201 total cpu time spent up to now is 244.6 secs Computing kpt #: 202 total cpu time spent up to now is 246.1 secs Computing kpt #: 203 total cpu time spent up to now is 247.4 secs Computing kpt #: 204 total cpu time spent up to now is 248.4 secs Computing kpt #: 205 total cpu time spent up to now is 249.5 secs Computing kpt #: 206 total cpu time spent up to now is 250.5 secs Computing kpt #: 207 total cpu time spent up to now is 251.5 secs Computing kpt #: 208 total cpu time spent up to now is 252.5 secs Computing kpt #: 209 total cpu time spent up to now is 253.5 secs Computing kpt #: 210 total cpu time spent up to now is 254.5 secs Computing kpt #: 211 total cpu time spent up to now is 255.4 secs Computing kpt #: 212 total cpu time spent up to now is 256.4 secs Computing kpt #: 213 total cpu time spent up to now is 257.4 secs Computing kpt #: 214 total cpu time spent up to now is 258.3 secs Computing kpt #: 215 total cpu time spent up to now is 259.1 secs Computing kpt #: 216 total cpu time spent up to now is 260.0 secs Computing kpt #: 217 total cpu time spent up to now is 260.9 secs Computing kpt #: 218 total cpu time spent up to now is 261.8 secs Computing kpt #: 219 total cpu time spent up to now is 262.7 secs Computing kpt #: 220 total cpu time spent up to now is 263.7 secs Computing kpt #: 221 total cpu time spent up to now is 264.7 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.4 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.2 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.0 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.8 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.5 secs Computing kpt #: 227 total cpu time spent up to now is 275.1 secs Computing kpt #: 228 total cpu time spent up to now is 276.4 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.1 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.8 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.5 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.2 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 234 total cpu time spent up to now is 285.4 secs Computing kpt #: 235 total cpu time spent up to now is 286.0 secs Computing kpt #: 236 total cpu time spent up to now is 286.6 secs Computing kpt #: 237 total cpu time spent up to now is 287.1 secs Computing kpt #: 238 total cpu time spent up to now is 287.9 secs Computing kpt #: 239 total cpu time spent up to now is 288.5 secs Computing kpt #: 240 total cpu time spent up to now is 289.1 secs Computing kpt #: 241 total cpu time spent up to now is 289.7 secs Computing kpt #: 242 total cpu time spent up to now is 290.3 secs Computing kpt #: 243 total cpu time spent up to now is 291.1 secs Computing kpt #: 244 total cpu time spent up to now is 291.9 secs Computing kpt #: 245 total cpu time spent up to now is 292.7 secs Computing kpt #: 246 total cpu time spent up to now is 293.8 secs Computing kpt #: 247 total cpu time spent up to now is 294.9 secs Computing kpt #: 248 total cpu time spent up to now is 296.2 secs Computing kpt #: 249 total cpu time spent up to now is 297.5 secs Computing kpt #: 250 total cpu time spent up to now is 298.7 secs Computing kpt #: 251 total cpu time spent up to now is 300.1 secs Computing kpt #: 252 total cpu time spent up to now is 301.5 secs Computing kpt #: 253 total cpu time spent up to now is 302.9 secs Computing kpt #: 254 total cpu time spent up to now is 304.3 secs Computing kpt #: 255 total cpu time spent up to now is 305.9 secs Computing kpt #: 256 total cpu time spent up to now is 307.1 secs Computing kpt #: 257 total cpu time spent up to now is 308.5 secs Computing kpt #: 258 total cpu time spent up to now is 309.5 secs Computing kpt #: 259 total cpu time spent up to now is 310.8 secs Computing kpt #: 260 total cpu time spent up to now is 312.0 secs Computing kpt #: 261 total cpu time spent up to now is 313.1 secs Computing kpt #: 262 total cpu time spent up to now is 314.2 secs Computing kpt #: 263 total cpu time spent up to now is 315.2 secs Computing kpt #: 264 total cpu time spent up to now is 316.2 secs Computing kpt #: 265 total cpu time spent up to now is 317.2 secs Computing kpt #: 266 total cpu time spent up to now is 318.2 secs Computing kpt #: 267 total cpu time spent up to now is 319.3 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.8 secs ethr = 2.00E-08, avg # of iterations = 63.1 total cpu time spent up to now is 322.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0160 -38.0160 -38.0160 -38.0160 -17.1280 -17.1280 -17.1280 -17.1280 -16.9942 -16.9942 -16.6526 -16.6526 -16.6526 -16.6526 -16.5844 -16.5844 -16.5494 -16.5494 -16.3366 -16.3366 -16.3366 -16.3366 -10.2296 -10.2296 -10.2296 -10.2296 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4349 2.4349 4.7516 4.7516 9.9521 9.9521 10.1573 10.1573 10.1573 10.1573 10.3986 10.3986 10.3986 10.3986 10.9507 10.9507 10.9507 10.9507 10.9538 10.9538 13.2575 13.2575 13.5313 13.5313 13.5314 13.5315 k = 0.0000 0.0143-0.0000 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0161 -38.0161 -38.0160 -38.0160 -17.1280 -17.1280 -17.1279 -17.1279 -16.9942 -16.9942 -16.6526 -16.6526 -16.6526 -16.6526 -16.5844 -16.5844 -16.5493 -16.5493 -16.3368 -16.3368 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4363 2.4363 4.7520 4.7520 9.9433 9.9433 10.1352 10.1352 10.1567 10.1567 10.4001 10.4001 10.4256 10.4256 10.9491 10.9491 10.9502 10.9502 10.9534 10.9534 13.2501 13.2501 13.5023 13.5023 13.5034 13.5034 k = 0.0000 0.0286-0.0000 ( 3907 PWs) bands (ev): -38.0875 -38.0875 -38.0162 -38.0162 -38.0160 -38.0160 -17.1279 -17.1279 -17.1277 -17.1277 -16.9943 -16.9943 -16.6526 -16.6526 -16.6524 -16.6524 -16.5845 -16.5845 -16.5492 -16.5492 -16.3372 -16.3372 -16.3368 -16.3368 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1954 -9.1954 2.4407 2.4407 4.7533 4.7533 9.9129 9.9129 10.0935 10.0935 10.1550 10.1550 10.4046 10.4046 10.4859 10.4859 10.9445 10.9445 10.9463 10.9463 10.9545 10.9545 13.2253 13.2253 13.4521 13.4521 13.4753 13.4753 k = 0.0000 0.0429-0.0000 ( 3911 PWs) bands (ev): -38.0873 -38.0873 -38.0163 -38.0163 -38.0160 -38.0160 -17.1279 -17.1279 -17.1272 -17.1272 -16.9944 -16.9944 -16.6526 -16.6526 -16.6522 -16.6522 -16.5846 -16.5846 -16.5491 -16.5491 -16.3379 -16.3379 -16.3371 -16.3371 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1953 -9.1953 2.4479 2.4479 4.7554 4.7554 9.8556 9.8556 10.0603 10.0603 10.1523 10.1523 10.4122 10.4122 10.5569 10.5569 10.9368 10.9368 10.9389 10.9389 10.9574 10.9574 13.1758 13.1758 13.3984 13.3984 13.4506 13.4506 k = 0.0000 0.0571-0.0000 ( 3911 PWs) bands (ev): -38.0871 -38.0871 -38.0165 -38.0165 -38.0160 -38.0160 -17.1278 -17.1278 -17.1266 -17.1266 -16.9946 -16.9946 -16.6526 -16.6526 -16.6520 -16.6520 -16.5848 -16.5848 -16.5488 -16.5488 -16.3388 -16.3388 -16.3374 -16.3374 -10.2295 -10.2295 -10.2294 -10.2294 -9.1967 -9.1967 -9.1953 -9.1953 -9.1952 -9.1952 2.4581 2.4581 4.7584 4.7584 9.7764 9.7764 10.0395 10.0395 10.1484 10.1484 10.4228 10.4228 10.6299 10.6299 10.9262 10.9262 10.9284 10.9284 10.9617 10.9617 13.0965 13.0965 13.3585 13.3585 13.4295 13.4296 k = 0.0000 0.0714-0.0000 ( 3915 PWs) bands (ev): -38.0868 -38.0868 -38.0168 -38.0168 -38.0160 -38.0160 -17.1276 -17.1276 -17.1259 -17.1259 -16.9948 -16.9948 -16.6525 -16.6525 -16.6516 -16.6516 -16.5850 -16.5850 -16.5485 -16.5485 -16.3401 -16.3401 -16.3378 -16.3378 -10.2294 -10.2294 -10.2293 -10.2293 -9.1967 -9.1967 -9.1953 -9.1953 -9.1951 -9.1951 2.4710 2.4710 4.7620 4.7620 9.6848 9.6848 10.0253 10.0253 10.1435 10.1435 10.4363 10.4363 10.7012 10.7012 10.9130 10.9130 10.9152 10.9152 10.9670 10.9670 12.9945 12.9945 13.3337 13.3337 13.4120 13.4120 k = 0.0000 0.0857-0.0000 ( 3919 PWs) bands (ev): -38.0865 -38.0865 -38.0172 -38.0172 -38.0160 -38.0160 -17.1275 -17.1275 -17.1249 -17.1249 -16.9951 -16.9951 -16.6525 -16.6525 -16.6512 -16.6512 -16.5853 -16.5853 -16.5480 -16.5480 -16.3416 -16.3416 -16.3384 -16.3384 -10.2294 -10.2294 -10.2292 -10.2292 -9.1966 -9.1966 -9.1953 -9.1953 -9.1950 -9.1950 2.4869 2.4869 4.7662 4.7662 9.5865 9.5865 10.0138 10.0138 10.1376 10.1376 10.4527 10.4527 10.7690 10.7690 10.8974 10.8974 10.8996 10.8996 10.9737 10.9737 12.8804 12.8804 13.3185 13.3185 13.3977 13.3977 k = 0.0000 0.1000-0.0000 ( 3927 PWs) bands (ev): -38.0861 -38.0861 -38.0176 -38.0176 -38.0160 -38.0160 -17.1273 -17.1273 -17.1238 -17.1238 -16.9954 -16.9954 -16.6525 -16.6525 -16.6507 -16.6507 -16.5856 -16.5856 -16.5475 -16.5475 -16.3434 -16.3434 -16.3390 -16.3390 -10.2293 -10.2293 -10.2291 -10.2291 -9.1965 -9.1965 -9.1952 -9.1952 -9.1948 -9.1948 2.5055 2.5055 4.7710 4.7710 9.4848 9.4848 10.0030 10.0030 10.1307 10.1307 10.4720 10.4720 10.8319 10.8319 10.8798 10.8798 10.8817 10.8817 10.9815 10.9815 12.7615 12.7615 13.3093 13.3093 13.3865 13.3865 k = 0.0000 0.1143-0.0000 ( 3935 PWs) bands (ev): -38.0856 -38.0856 -38.0181 -38.0181 -38.0160 -38.0160 -17.1271 -17.1271 -17.1225 -17.1225 -16.9959 -16.9959 -16.6525 -16.6525 -16.6501 -16.6501 -16.5860 -16.5860 -16.5469 -16.5469 -16.3455 -16.3455 -16.3397 -16.3397 -10.2293 -10.2293 -10.2290 -10.2290 -9.1965 -9.1965 -9.1951 -9.1951 -9.1946 -9.1946 2.5270 2.5270 4.7760 4.7760 9.3814 9.3814 9.9924 9.9924 10.1231 10.1231 10.4942 10.4942 10.8592 10.8592 10.8619 10.8619 10.8900 10.8900 10.9903 10.9903 12.6422 12.6422 13.3039 13.3039 13.3781 13.3782 k = 0.0000 0.1286-0.0000 ( 3939 PWs) bands (ev): -38.0851 -38.0851 -38.0186 -38.0186 -38.0160 -38.0160 -17.1269 -17.1269 -17.1211 -17.1211 -16.9963 -16.9963 -16.6525 -16.6525 -16.6495 -16.6495 -16.5864 -16.5864 -16.5461 -16.5461 -16.3478 -16.3478 -16.3405 -16.3405 -10.2292 -10.2292 -10.2288 -10.2288 -9.1964 -9.1964 -9.1950 -9.1950 -9.1944 -9.1944 2.5512 2.5512 4.7813 4.7813 9.2773 9.2773 9.9814 9.9814 10.1146 10.1146 10.5192 10.5192 10.8382 10.8382 10.8404 10.8404 10.9399 10.9399 11.0004 11.0004 12.5256 12.5256 13.3016 13.3016 13.3723 13.3724 k = 0.0000 0.1429-0.0000 ( 3931 PWs) bands (ev): -38.0845 -38.0845 -38.0192 -38.0192 -38.0160 -38.0160 -17.1266 -17.1266 -17.1195 -17.1195 -16.9969 -16.9969 -16.6525 -16.6525 -16.6487 -16.6487 -16.5869 -16.5869 -16.5452 -16.5452 -16.3503 -16.3503 -16.3413 -16.3413 -10.2291 -10.2291 -10.2286 -10.2286 -9.1963 -9.1963 -9.1949 -9.1949 -9.1942 -9.1942 2.5780 2.5780 4.7866 4.7866 9.1736 9.1736 9.9699 9.9699 10.1055 10.1055 10.5469 10.5469 10.8158 10.8158 10.8175 10.8175 10.9815 10.9815 11.0114 11.0114 12.4147 12.4147 13.3016 13.3016 13.3688 13.3690 k = 0.0000 0.1571-0.0000 ( 3935 PWs) bands (ev): -38.0838 -38.0838 -38.0198 -38.0198 -38.0160 -38.0160 -17.1263 -17.1263 -17.1177 -17.1177 -16.9975 -16.9975 -16.6526 -16.6526 -16.6479 -16.6479 -16.5874 -16.5874 -16.5442 -16.5442 -16.3532 -16.3532 -16.3422 -16.3422 -10.2291 -10.2291 -10.2284 -10.2284 -9.1963 -9.1963 -9.1948 -9.1948 -9.1939 -9.1939 2.6075 2.6075 4.7916 4.7916 9.0710 9.0710 9.9579 9.9579 10.0957 10.0957 10.5772 10.5772 10.7923 10.7923 10.7935 10.7935 11.0125 11.0125 11.0235 11.0235 12.3125 12.3125 13.3035 13.3035 13.3672 13.3672 k = 0.0000 0.1714-0.0000 ( 3935 PWs) bands (ev): -38.0832 -38.0832 -38.0205 -38.0205 -38.0160 -38.0160 -17.1260 -17.1260 -17.1158 -17.1158 -16.9982 -16.9982 -16.6527 -16.6527 -16.6470 -16.6470 -16.5879 -16.5879 -16.5430 -16.5430 -16.3562 -16.3562 -16.3432 -16.3432 -10.2290 -10.2290 -10.2282 -10.2282 -9.1962 -9.1962 -9.1947 -9.1947 -9.1936 -9.1936 2.6396 2.6396 4.7959 4.7959 8.9700 8.9700 9.9454 9.9454 10.0854 10.0854 10.6100 10.6100 10.7682 10.7682 10.7688 10.7688 11.0302 11.0302 11.0365 11.0365 12.2223 12.2223 13.3071 13.3071 13.3663 13.3667 k = 0.0000 0.1857-0.0000 ( 3936 PWs) bands (ev): -38.0824 -38.0824 -38.0213 -38.0213 -38.0160 -38.0160 -17.1256 -17.1256 -17.1138 -17.1138 -16.9989 -16.9989 -16.6528 -16.6528 -16.6461 -16.6461 -16.5885 -16.5885 -16.5417 -16.5417 -16.3595 -16.3595 -16.3442 -16.3442 -10.2289 -10.2289 -10.2280 -10.2280 -9.1961 -9.1961 -9.1946 -9.1946 -9.1934 -9.1934 2.6743 2.6743 4.7997 4.7997 8.8715 8.8715 9.9326 9.9326 10.0747 10.0747 10.6453 10.6453 10.7434 10.7434 10.7435 10.7435 11.0319 11.0319 11.0505 11.0505 12.1475 12.1475 13.3120 13.3120 13.3543 13.3544 k = 0.0000 0.2000-0.0000 ( 3940 PWs) bands (ev): -38.0816 -38.0816 -38.0221 -38.0221 -38.0160 -38.0160 -17.1253 -17.1253 -17.1116 -17.1116 -16.9998 -16.9998 -16.6529 -16.6529 -16.6450 -16.6450 -16.5892 -16.5892 -16.5402 -16.5402 -16.3630 -16.3630 -16.3454 -16.3454 -10.2288 -10.2288 -10.2278 -10.2278 -9.1960 -9.1960 -9.1945 -9.1945 -9.1931 -9.1931 2.7113 2.7113 4.8023 4.8023 8.7760 8.7760 9.9194 9.9194 10.0636 10.0636 10.6829 10.6829 10.7176 10.7176 10.7186 10.7186 11.0153 11.0153 11.0653 11.0653 12.0912 12.0912 13.3178 13.3178 13.3298 13.3298 k = 0.0000 0.2143-0.0000 ( 3940 PWs) bands (ev): -38.0808 -38.0808 -38.0229 -38.0229 -38.0160 -38.0160 -17.1249 -17.1249 -17.1093 -17.1093 -17.0007 -17.0007 -16.6531 -16.6531 -16.6439 -16.6439 -16.5899 -16.5899 -16.5385 -16.5385 -16.3666 -16.3666 -16.3465 -16.3465 -10.2287 -10.2287 -10.2276 -10.2276 -9.1959 -9.1959 -9.1943 -9.1943 -9.1928 -9.1928 2.7507 2.7507 4.8036 4.8036 8.6840 8.6840 9.9060 9.9060 10.0523 10.0523 10.6918 10.6918 10.6938 10.6938 10.7226 10.7226 10.9795 10.9795 11.0808 11.0808 12.0547 12.0547 13.3032 13.3032 13.3246 13.3246 k = 0.0000 0.2286-0.0000 ( 3940 PWs) bands (ev): -38.0799 -38.0799 -38.0238 -38.0238 -38.0160 -38.0160 -17.1246 -17.1246 -17.1069 -17.1069 -17.0017 -17.0017 -16.6533 -16.6533 -16.6428 -16.6428 -16.5906 -16.5906 -16.5367 -16.5367 -16.3705 -16.3705 -16.3476 -16.3476 -10.2286 -10.2286 -10.2274 -10.2274 -9.1958 -9.1958 -9.1942 -9.1942 -9.1925 -9.1925 2.7924 2.7924 4.8033 4.8033 8.5961 8.5961 9.8924 9.8924 10.0409 10.0409 10.6662 10.6662 10.6693 10.6693 10.7644 10.7644 10.9255 10.9255 11.0969 11.0969 12.0374 12.0374 13.2755 13.2755 13.3320 13.3320 k = 0.0000 0.2429-0.0000 ( 3948 PWs) bands (ev): -38.0790 -38.0790 -38.0247 -38.0247 -38.0159 -38.0159 -17.1242 -17.1242 -17.1044 -17.1044 -17.0028 -17.0028 -16.6536 -16.6536 -16.6416 -16.6416 -16.5915 -16.5915 -16.5346 -16.5346 -16.3746 -16.3746 -16.3488 -16.3488 -10.2285 -10.2285 -10.2271 -10.2271 -9.1957 -9.1957 -9.1941 -9.1941 -9.1922 -9.1922 2.8362 2.8362 4.8009 4.8009 8.5128 8.5128 9.8787 9.8787 10.0293 10.0293 10.6408 10.6408 10.6451 10.6451 10.8079 10.8079 10.8562 10.8562 11.1137 11.1137 12.0370 12.0370 13.2471 13.2471 13.3398 13.3398 k = 0.0000 0.2571-0.0000 ( 3948 PWs) bands (ev): -38.0780 -38.0780 -38.0257 -38.0257 -38.0159 -38.0159 -17.1239 -17.1239 -17.1018 -17.1018 -17.0039 -17.0039 -16.6538 -16.6538 -16.6403 -16.6403 -16.5923 -16.5923 -16.5324 -16.5324 -16.3787 -16.3787 -16.3500 -16.3500 -10.2284 -10.2284 -10.2269 -10.2269 -9.1956 -9.1956 -9.1939 -9.1939 -9.1919 -9.1919 2.8821 2.8821 4.7962 4.7962 8.4345 8.4345 9.8651 9.8651 10.0179 10.0179 10.6160 10.6160 10.6216 10.6216 10.7755 10.7755 10.8532 10.8532 11.1310 11.1310 12.0502 12.0502 13.2182 13.2182 13.3479 13.3480 k = 0.0000 0.2714-0.0000 ( 3964 PWs) bands (ev): -38.0770 -38.0770 -38.0267 -38.0267 -38.0159 -38.0159 -17.1235 -17.1235 -17.0992 -17.0992 -17.0053 -17.0053 -16.6542 -16.6542 -16.6390 -16.6390 -16.5932 -16.5932 -16.5300 -16.5300 -16.3831 -16.3831 -16.3512 -16.3512 -10.2283 -10.2283 -10.2267 -10.2267 -9.1956 -9.1956 -9.1938 -9.1938 -9.1916 -9.1916 2.9297 2.9297 4.7889 4.7889 8.3617 8.3617 9.8516 9.8516 10.0065 10.0065 10.5919 10.5919 10.5987 10.5987 10.6867 10.6867 10.8997 10.8997 11.1485 11.1485 12.0736 12.0736 13.1890 13.1890 13.3562 13.3562 k = 0.0000 0.2857-0.0000 ( 3976 PWs) bands (ev): -38.0760 -38.0760 -38.0277 -38.0277 -38.0159 -38.0159 -17.1232 -17.1232 -17.0964 -17.0964 -17.0066 -17.0066 -16.6546 -16.6546 -16.6377 -16.6377 -16.5942 -16.5942 -16.5274 -16.5274 -16.3876 -16.3876 -16.3523 -16.3523 -10.2282 -10.2282 -10.2265 -10.2265 -9.1955 -9.1955 -9.1937 -9.1937 -9.1913 -9.1913 2.9791 2.9791 4.7786 4.7786 8.2947 8.2947 9.8383 9.8383 9.9953 9.9953 10.5686 10.5686 10.5768 10.5768 10.5931 10.5931 10.9474 10.9474 11.1663 11.1663 12.1047 12.1047 13.1597 13.1597 13.3644 13.3644 k = 0.0000 0.3000-0.0000 ( 3976 PWs) bands (ev): -38.0750 -38.0750 -38.0287 -38.0287 -38.0159 -38.0159 -17.1229 -17.1229 -17.0937 -17.0937 -17.0080 -17.0080 -16.6549 -16.6549 -16.6363 -16.6363 -16.5952 -16.5952 -16.5246 -16.5246 -16.3922 -16.3922 -16.3535 -16.3535 -10.2282 -10.2282 -10.2263 -10.2263 -9.1954 -9.1954 -9.1935 -9.1935 -9.1910 -9.1910 3.0300 3.0300 4.7654 4.7654 8.2339 8.2339 9.8254 9.8254 9.9844 9.9844 10.4974 10.4974 10.5464 10.5464 10.5559 10.5559 10.9960 10.9960 11.1843 11.1843 12.1414 12.1414 13.1306 13.1306 13.3725 13.3725 k = 0.0000 0.3143-0.0000 ( 3980 PWs) bands (ev): -38.0739 -38.0739 -38.0298 -38.0298 -38.0159 -38.0159 -17.1226 -17.1226 -17.0908 -17.0908 -17.0095 -17.0095 -16.6553 -16.6553 -16.6348 -16.6348 -16.5963 -16.5963 -16.5216 -16.5216 -16.3969 -16.3969 -16.3546 -16.3546 -10.2281 -10.2281 -10.2261 -10.2261 -9.1953 -9.1953 -9.1934 -9.1934 -9.1907 -9.1907 3.0822 3.0822 4.7491 4.7491 8.1794 8.1794 9.8129 9.8129 9.9739 9.9739 10.4013 10.4013 10.5252 10.5252 10.5360 10.5360 11.0450 11.0450 11.2022 11.2022 12.1817 12.1817 13.1019 13.1019 13.3803 13.3803 k = 0.0000 0.3286-0.0000 ( 3972 PWs) bands (ev): -38.0728 -38.0728 -38.0309 -38.0309 -38.0159 -38.0159 -17.1223 -17.1223 -17.0879 -17.0879 -17.0111 -17.0111 -16.6557 -16.6557 -16.6333 -16.6333 -16.5974 -16.5974 -16.5184 -16.5184 -16.4017 -16.4017 -16.3557 -16.3557 -10.2280 -10.2280 -10.2258 -10.2258 -9.1952 -9.1952 -9.1932 -9.1932 -9.1904 -9.1904 3.1355 3.1355 4.7295 4.7295 8.1314 8.1314 9.8009 9.8009 9.9638 9.9638 10.3065 10.3065 10.5052 10.5052 10.5174 10.5174 11.0942 11.0942 11.2200 11.2200 12.2246 12.2246 13.0738 13.0738 13.3879 13.3879 k = 0.0000 0.3429-0.0000 ( 3980 PWs) bands (ev): -38.0717 -38.0717 -38.0319 -38.0319 -38.0159 -38.0159 -17.1219 -17.1219 -17.0850 -17.0850 -17.0127 -17.0127 -16.6561 -16.6561 -16.6318 -16.6318 -16.5985 -16.5985 -16.5150 -16.5150 -16.4066 -16.4066 -16.3567 -16.3567 -10.2279 -10.2279 -10.2256 -10.2256 -9.1952 -9.1952 -9.1931 -9.1931 -9.1901 -9.1901 3.1894 3.1894 4.7067 4.7067 8.0898 8.0898 9.7895 9.7895 9.9543 9.9543 10.2143 10.2143 10.4865 10.4865 10.5000 10.5000 11.1431 11.1431 11.2372 11.2372 12.2690 12.2690 13.0466 13.0466 13.3950 13.3950 k = 0.0000 0.3571-0.0000 ( 3976 PWs) bands (ev): -38.0707 -38.0707 -38.0330 -38.0330 -38.0159 -38.0159 -17.1216 -17.1216 -17.0821 -17.0821 -17.0144 -17.0144 -16.6565 -16.6565 -16.6302 -16.6302 -16.5997 -16.5997 -16.5115 -16.5115 -16.4116 -16.4116 -16.3577 -16.3577 -10.2278 -10.2278 -10.2254 -10.2254 -9.1951 -9.1951 -9.1930 -9.1930 -9.1898 -9.1898 3.2436 3.2436 4.6809 4.6809 8.0544 8.0544 9.7788 9.7788 9.9454 9.9454 10.1259 10.1259 10.4693 10.4693 10.4840 10.4840 11.1911 11.1911 11.2541 11.2541 12.3140 12.3140 13.0206 13.0206 13.4017 13.4018 k = 0.0000 0.3714-0.0000 ( 3976 PWs) bands (ev): -38.0696 -38.0696 -38.0341 -38.0341 -38.0159 -38.0159 -17.1214 -17.1214 -17.0793 -17.0793 -17.0162 -17.0162 -16.6569 -16.6569 -16.6287 -16.6287 -16.6009 -16.6009 -16.5078 -16.5078 -16.4166 -16.4166 -16.3586 -16.3586 -10.2277 -10.2277 -10.2253 -10.2253 -9.1950 -9.1950 -9.1929 -9.1929 -9.1896 -9.1896 3.2978 3.2978 4.6524 4.6524 8.0250 8.0250 9.7687 9.7687 9.9371 9.9371 10.0421 10.0421 10.4535 10.4535 10.4694 10.4694 11.2377 11.2377 11.2701 11.2701 12.3589 12.3589 12.9960 12.9960 13.4079 13.4079 k = 0.0000 0.3857-0.0000 ( 3960 PWs) bands (ev): -38.0686 -38.0686 -38.0351 -38.0351 -38.0159 -38.0159 -17.1211 -17.1211 -17.0765 -17.0765 -17.0180 -17.0180 -16.6573 -16.6573 -16.6270 -16.6270 -16.6022 -16.6022 -16.5040 -16.5040 -16.4216 -16.4216 -16.3594 -16.3594 -10.2276 -10.2276 -10.2251 -10.2251 -9.1949 -9.1949 -9.1927 -9.1927 -9.1893 -9.1893 3.3512 3.3512 4.6218 4.6218 8.0013 8.0013 9.7594 9.7594 9.9295 9.9295 9.9641 9.9641 10.4393 10.4393 10.4563 10.4563 11.2820 11.2820 11.2856 11.2856 12.4027 12.4027 12.9731 12.9731 13.4135 13.4135 k = 0.0000 0.4000-0.0000 ( 3972 PWs) bands (ev): -38.0676 -38.0676 -38.0361 -38.0361 -38.0159 -38.0159 -17.1209 -17.1209 -17.0738 -17.0738 -17.0198 -17.0198 -16.6576 -16.6576 -16.6255 -16.6255 -16.6035 -16.6035 -16.5000 -16.5000 -16.4266 -16.4266 -16.3602 -16.3602 -10.2276 -10.2276 -10.2250 -10.2250 -9.1949 -9.1949 -9.1927 -9.1927 -9.1892 -9.1892 3.4032 3.4032 4.5897 4.5897 7.9826 7.9826 9.7505 9.7505 9.8927 9.8927 9.9226 9.9226 10.4266 10.4266 10.4445 10.4445 11.2992 11.2992 11.3243 11.3243 12.4448 12.4448 12.9521 12.9521 13.4185 13.4185 k = 0.0000 0.4143-0.0000 ( 3976 PWs) bands (ev): -38.0667 -38.0667 -38.0370 -38.0370 -38.0159 -38.0159 -17.1208 -17.1208 -17.0712 -17.0712 -17.0215 -17.0215 -16.6580 -16.6580 -16.6239 -16.6239 -16.6049 -16.6049 -16.4960 -16.4960 -16.4316 -16.4316 -16.3609 -16.3609 -10.2275 -10.2275 -10.2248 -10.2248 -9.1949 -9.1949 -9.1926 -9.1926 -9.1890 -9.1890 3.4529 3.4529 4.5570 4.5570 7.9684 7.9684 9.7419 9.7419 9.8295 9.8295 9.9165 9.9165 10.4155 10.4155 10.4343 10.4343 11.3119 11.3119 11.3628 11.3628 12.4843 12.4843 12.9332 12.9332 13.4229 13.4229 k = 0.0000 0.4286-0.0000 ( 3976 PWs) bands (ev): -38.0659 -38.0659 -38.0378 -38.0378 -38.0159 -38.0159 -17.1206 -17.1206 -17.0688 -17.0688 -17.0232 -17.0232 -16.6582 -16.6582 -16.6223 -16.6223 -16.6063 -16.6063 -16.4919 -16.4919 -16.4365 -16.4365 -16.3614 -16.3614 -10.2275 -10.2275 -10.2247 -10.2247 -9.1948 -9.1948 -9.1925 -9.1925 -9.1888 -9.1888 3.4993 3.4993 4.5248 4.5248 7.9581 7.9581 9.7315 9.7315 9.7774 9.7774 9.9113 9.9113 10.4060 10.4060 10.4256 10.4256 11.3230 11.3230 11.3972 11.3972 12.5202 12.5202 12.9168 12.9168 13.4267 13.4267 k = 0.0000 0.4429-0.0000 ( 3976 PWs) bands (ev): -38.0651 -38.0651 -38.0386 -38.0386 -38.0159 -38.0159 -17.1205 -17.1205 -17.0667 -17.0667 -17.0248 -17.0248 -16.6585 -16.6585 -16.6207 -16.6207 -16.6077 -16.6077 -16.4879 -16.4879 -16.4412 -16.4412 -16.3619 -16.3619 -10.2274 -10.2274 -10.2246 -10.2246 -9.1948 -9.1948 -9.1924 -9.1924 -9.1887 -9.1887 3.5408 3.5408 4.4946 4.4946 7.9509 7.9509 9.7096 9.7096 9.7466 9.7466 9.9071 9.9071 10.3983 10.3983 10.4185 10.4185 11.3323 11.3323 11.4267 11.4267 12.5515 12.5515 12.9030 12.9030 13.4298 13.4298 k = 0.0000 0.4571-0.0000 ( 3964 PWs) bands (ev): -38.0645 -38.0645 -38.0392 -38.0392 -38.0159 -38.0159 -17.1203 -17.1203 -17.0649 -17.0649 -17.0261 -17.0261 -16.6586 -16.6586 -16.6190 -16.6190 -16.6091 -16.6091 -16.4840 -16.4840 -16.4455 -16.4455 -16.3623 -16.3623 -10.2274 -10.2274 -10.2245 -10.2245 -9.1947 -9.1947 -9.1924 -9.1924 -9.1886 -9.1886 3.5761 3.5761 4.4682 4.4682 7.9462 7.9462 9.6782 9.6782 9.7364 9.7364 9.9039 9.9039 10.3923 10.3923 10.4130 10.4130 11.3398 11.3398 11.4505 11.4505 12.5772 12.5772 12.8921 12.8921 13.4322 13.4322 k = 0.0000 0.4714-0.0000 ( 3964 PWs) bands (ev): -38.0640 -38.0640 -38.0397 -38.0397 -38.0159 -38.0159 -17.1202 -17.1202 -17.0635 -17.0635 -17.0272 -17.0272 -16.6588 -16.6588 -16.6175 -16.6175 -16.6106 -16.6106 -16.4805 -16.4805 -16.4493 -16.4493 -16.3626 -16.3626 -10.2273 -10.2273 -10.2245 -10.2245 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6031 3.6031 4.4474 4.4474 7.9433 7.9433 9.6524 9.6524 9.7317 9.7317 9.9015 9.9015 10.3879 10.3879 10.4090 10.4090 11.3453 11.3453 11.4681 11.4681 12.5965 12.5965 12.8842 12.8842 13.4340 13.4340 k = 0.0000 0.4857-0.0000 ( 3972 PWs) bands (ev): -38.0638 -38.0638 -38.0399 -38.0399 -38.0159 -38.0159 -17.1202 -17.1202 -17.0626 -17.0626 -17.0279 -17.0279 -16.6589 -16.6589 -16.6161 -16.6161 -16.6119 -16.6119 -16.4779 -16.4779 -16.4522 -16.4522 -16.3628 -16.3628 -10.2274 -10.2274 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6202 3.6202 4.4339 4.4339 7.9418 7.9418 9.6363 9.6363 9.7294 9.7294 9.9000 9.9000 10.3853 10.3853 10.4066 10.4066 11.3485 11.3485 11.4787 11.4787 12.6083 12.6083 12.8793 12.8793 13.4350 13.4351 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -38.0637 -38.0637 -38.0400 -38.0400 -38.0159 -38.0159 -17.1202 -17.1202 -17.0623 -17.0623 -17.0282 -17.0282 -16.6589 -16.6589 -16.6154 -16.6154 -16.6126 -16.6126 -16.4770 -16.4770 -16.4533 -16.4533 -16.3629 -16.3629 -10.2274 -10.2274 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6261 3.6261 4.4293 4.4293 7.9413 7.9413 9.6308 9.6308 9.7286 9.7286 9.8995 9.8995 10.3844 10.3844 10.4057 10.4057 11.3496 11.3496 11.4823 11.4823 12.6124 12.6124 12.8777 12.8777 13.4353 13.4354 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -38.0637 -38.0637 -38.0400 -38.0400 -38.0159 -38.0159 -17.1202 -17.1202 -17.0623 -17.0623 -17.0282 -17.0282 -16.6589 -16.6589 -16.6154 -16.6154 -16.6126 -16.6126 -16.4770 -16.4770 -16.4533 -16.4533 -16.3629 -16.3629 -10.2274 -10.2274 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6261 3.6261 4.4293 4.4293 7.9413 7.9413 9.6308 9.6308 9.7286 9.7286 9.8995 9.8995 10.3844 10.3844 10.4057 10.4057 11.3496 11.3496 11.4823 11.4823 12.6124 12.6124 12.8777 12.8777 13.4353 13.4354 k = 0.0143 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0636 -38.0636 -38.0400 -38.0400 -38.0159 -38.0159 -17.1201 -17.1201 -17.0624 -17.0624 -17.0282 -17.0282 -16.6589 -16.6589 -16.6168 -16.6168 -16.6111 -16.6111 -16.4774 -16.4774 -16.4529 -16.4529 -16.3628 -16.3628 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6269 3.6269 4.4307 4.4307 7.9416 7.9416 9.6018 9.6018 9.7455 9.7455 9.9069 9.9069 10.3820 10.3820 10.4033 10.4033 11.3522 11.3522 11.4843 11.4843 12.6128 12.6128 12.8745 12.8745 13.4373 13.4374 k = 0.0286 0.5000-0.0000 ( 3968 PWs) bands (ev): -38.0636 -38.0636 -38.0400 -38.0400 -38.0160 -38.0160 -17.1200 -17.1200 -17.0626 -17.0626 -17.0282 -17.0282 -16.6589 -16.6589 -16.6190 -16.6190 -16.6087 -16.6087 -16.4787 -16.4787 -16.4519 -16.4519 -16.3626 -16.3626 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6295 3.6295 4.4349 4.4349 7.9425 7.9425 9.5424 9.5424 9.7689 9.7689 9.9283 9.9283 10.3747 10.3747 10.3961 10.3961 11.3600 11.3600 11.4899 11.4899 12.6140 12.6140 12.8649 12.8649 13.4422 13.4425 k = 0.0429 0.5000-0.0000 ( 3964 PWs) bands (ev): -38.0634 -38.0634 -38.0400 -38.0400 -38.0161 -38.0161 -17.1198 -17.1198 -17.0630 -17.0630 -17.0282 -17.0282 -16.6589 -16.6589 -16.6213 -16.6213 -16.6062 -16.6062 -16.4805 -16.4805 -16.4504 -16.4504 -16.3622 -16.3622 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1884 -9.1884 3.6338 3.6338 4.4418 4.4418 7.9438 7.9438 9.4719 9.4719 9.7837 9.7837 9.9600 9.9600 10.3625 10.3625 10.3846 10.3846 11.3726 11.3726 11.4994 11.4994 12.6161 12.6161 12.8499 12.8499 13.4482 13.4484 k = 0.0571 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0633 -38.0633 -38.0400 -38.0400 -38.0162 -38.0162 -17.1195 -17.1195 -17.0636 -17.0636 -17.0283 -17.0283 -16.6589 -16.6589 -16.6234 -16.6234 -16.6037 -16.6037 -16.4829 -16.4829 -16.4487 -16.4487 -16.3618 -16.3618 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1884 -9.1884 3.6398 3.6398 4.4515 4.4515 7.9455 7.9455 9.3951 9.3951 9.7913 9.7913 9.9957 9.9957 10.3453 10.3453 10.3695 10.3695 11.3898 11.3898 11.5126 11.5126 12.6188 12.6188 12.8303 12.8303 13.4545 13.4546 k = 0.0714 0.5000-0.0000 ( 3968 PWs) bands (ev): -38.0631 -38.0631 -38.0400 -38.0400 -38.0165 -38.0165 -17.1191 -17.1191 -17.0643 -17.0643 -17.0283 -17.0283 -16.6589 -16.6589 -16.6255 -16.6255 -16.6012 -16.6012 -16.4855 -16.4855 -16.4469 -16.4469 -16.3613 -16.3613 -10.2272 -10.2272 -10.2244 -10.2244 -9.1946 -9.1946 -9.1922 -9.1922 -9.1884 -9.1884 3.6474 3.6474 4.4640 4.4640 7.9477 7.9477 9.3140 9.3140 9.7946 9.7946 10.0306 10.0306 10.3231 10.3231 10.3516 10.3516 11.4111 11.4111 11.5297 11.5297 12.6222 12.6222 12.8072 12.8072 13.4617 13.4618 k = 0.0857 0.5000-0.0000 ( 3964 PWs) bands (ev): -38.0628 -38.0628 -38.0400 -38.0400 -38.0167 -38.0167 -17.1187 -17.1187 -17.0651 -17.0651 -17.0285 -17.0285 -16.6590 -16.6590 -16.6273 -16.6273 -16.5986 -16.5986 -16.4882 -16.4882 -16.4451 -16.4451 -16.3606 -16.3606 -10.2272 -10.2272 -10.2244 -10.2244 -9.1946 -9.1946 -9.1922 -9.1922 -9.1884 -9.1884 3.6567 3.6567 4.4792 4.4792 7.9499 7.9499 9.2298 9.2298 9.7955 9.7955 10.0624 10.0624 10.2963 10.2963 10.3315 10.3315 11.4360 11.4360 11.5505 11.5505 12.6261 12.6261 12.7816 12.7816 13.4710 13.4711 k = 0.1000 0.5000-0.0000 ( 3970 PWs) bands (ev): -38.0625 -38.0625 -38.0400 -38.0400 -38.0170 -38.0170 -17.1182 -17.1182 -17.0661 -17.0661 -17.0286 -17.0286 -16.6591 -16.6591 -16.6291 -16.6291 -16.5962 -16.5962 -16.4910 -16.4910 -16.4435 -16.4435 -16.3597 -16.3597 -10.2271 -10.2271 -10.2245 -10.2245 -9.1946 -9.1946 -9.1922 -9.1922 -9.1884 -9.1884 3.6676 3.6676 4.4970 4.4970 7.9519 7.9519 9.1430 9.1430 9.7950 9.7950 10.0894 10.0894 10.2654 10.2654 10.3097 10.3097 11.4640 11.4640 11.5750 11.5750 12.6304 12.6304 12.7544 12.7544 13.4830 13.4831 k = 0.1143 0.5000-0.0000 ( 3978 PWs) bands (ev): -38.0621 -38.0621 -38.0400 -38.0400 -38.0174 -38.0174 -17.1176 -17.1176 -17.0672 -17.0672 -17.0288 -17.0288 -16.6593 -16.6593 -16.6307 -16.6307 -16.5938 -16.5938 -16.4938 -16.4938 -16.4420 -16.4420 -16.3587 -16.3587 -10.2271 -10.2271 -10.2245 -10.2245 -9.1946 -9.1946 -9.1921 -9.1921 -9.1884 -9.1884 3.6801 3.6801 4.5175 4.5175 7.9535 7.9535 9.0544 9.0544 9.7934 9.7934 10.1111 10.1111 10.2313 10.2313 10.2864 10.2864 11.4948 11.4948 11.6030 11.6030 12.6349 12.6349 12.7262 12.7262 13.4983 13.4984 k = 0.1286 0.5000-0.0000 ( 3978 PWs) bands (ev): -38.0617 -38.0617 -38.0400 -38.0400 -38.0178 -38.0178 -17.1169 -17.1169 -17.0683 -17.0683 -17.0291 -17.0291 -16.6595 -16.6595 -16.6321 -16.6321 -16.5915 -16.5915 -16.4966 -16.4966 -16.4407 -16.4407 -16.3576 -16.3576 -10.2270 -10.2270 -10.2245 -10.2245 -9.1946 -9.1946 -9.1921 -9.1921 -9.1883 -9.1883 3.6941 3.6941 4.5405 4.5405 7.9545 7.9545 8.9645 8.9645 9.7911 9.7911 10.1272 10.1272 10.1950 10.1950 10.2621 10.2621 11.5278 11.5278 11.6344 11.6344 12.6394 12.6394 12.6978 12.6978 13.5170 13.5274 k = 0.1429 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0613 -38.0613 -38.0400 -38.0400 -38.0182 -38.0182 -17.1162 -17.1162 -17.0695 -17.0695 -17.0295 -17.0295 -16.6598 -16.6598 -16.6332 -16.6332 -16.5893 -16.5893 -16.4993 -16.4993 -16.4396 -16.4396 -16.3563 -16.3563 -10.2269 -10.2269 -10.2245 -10.2245 -9.1946 -9.1946 -9.1920 -9.1920 -9.1883 -9.1883 3.7095 3.7095 4.5661 4.5661 7.9543 7.9543 8.8738 8.8738 9.7883 9.7883 10.1352 10.1352 10.1601 10.1601 10.2370 10.2370 11.5625 11.5625 11.6688 11.6688 12.6428 12.6428 12.6704 12.6704 13.5391 13.5393 k = 0.1571 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0608 -38.0608 -38.0400 -38.0400 -38.0187 -38.0187 -17.1154 -17.1154 -17.0707 -17.0707 -17.0299 -17.0299 -16.6602 -16.6602 -16.6341 -16.6341 -16.5872 -16.5872 -16.5018 -16.5018 -16.4387 -16.4387 -16.3549 -16.3549 -10.2268 -10.2268 -10.2245 -10.2245 -9.1946 -9.1946 -9.1919 -9.1919 -9.1882 -9.1882 3.7263 3.7263 4.5941 4.5941 7.9528 7.9528 8.7826 8.7826 9.7848 9.7848 10.1123 10.1123 10.1503 10.1503 10.2114 10.2114 11.5989 11.5989 11.7060 11.7060 12.6345 12.6345 12.6549 12.6549 13.5657 13.5661 k = 0.1714 0.5000-0.0000 ( 3980 PWs) bands (ev): -38.0603 -38.0603 -38.0400 -38.0400 -38.0192 -38.0192 -17.1146 -17.1146 -17.0719 -17.0719 -17.0304 -17.0304 -16.6607 -16.6607 -16.6348 -16.6348 -16.5853 -16.5853 -16.5043 -16.5043 -16.4381 -16.4381 -16.3533 -16.3533 -10.2267 -10.2267 -10.2246 -10.2246 -9.1947 -9.1947 -9.1918 -9.1918 -9.1882 -9.1882 3.7445 3.7445 4.6245 4.6245 7.9493 7.9493 8.6915 8.6915 9.7810 9.7810 10.0743 10.0743 10.1513 10.1513 10.1855 10.1855 11.6364 11.6364 11.7456 11.7456 12.6091 12.6091 12.6568 12.6568 13.5393 13.5393 k = 0.1857 0.5000-0.0000 ( 3974 PWs) bands (ev): -38.0597 -38.0597 -38.0400 -38.0400 -38.0198 -38.0198 -17.1137 -17.1137 -17.0732 -17.0732 -17.0309 -17.0309 -16.6613 -16.6613 -16.6351 -16.6351 -16.5835 -16.5835 -16.5065 -16.5065 -16.4377 -16.4377 -16.3516 -16.3516 -10.2266 -10.2266 -10.2246 -10.2246 -9.1947 -9.1947 -9.1917 -9.1917 -9.1881 -9.1881 3.7638 3.7638 4.6571 4.6571 7.9436 7.9436 8.6007 8.6007 9.7767 9.7767 10.0361 10.0361 10.1495 10.1495 10.1597 10.1597 11.6748 11.6748 11.7874 11.7874 12.5823 12.5823 12.6607 12.6607 13.5106 13.5106 k = 0.2000 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0591 -38.0591 -38.0400 -38.0400 -38.0204 -38.0204 -17.1128 -17.1128 -17.0744 -17.0744 -17.0316 -17.0316 -16.6620 -16.6620 -16.6353 -16.6353 -16.5820 -16.5820 -16.5086 -16.5086 -16.4375 -16.4375 -16.3499 -16.3499 -10.2265 -10.2265 -10.2246 -10.2246 -9.1947 -9.1947 -9.1916 -9.1916 -9.1881 -9.1881 3.7843 3.7843 4.6919 4.6919 7.9351 7.9351 8.5106 8.5106 9.7721 9.7721 9.9993 9.9993 10.1340 10.1340 10.1446 10.1446 11.7138 11.7138 11.8310 11.8310 12.5559 12.5559 12.6645 12.6645 13.4807 13.4807 k = 0.2143 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0584 -38.0584 -38.0399 -38.0399 -38.0211 -38.0211 -17.1119 -17.1119 -17.0756 -17.0756 -17.0324 -17.0324 -16.6628 -16.6628 -16.6352 -16.6352 -16.5807 -16.5807 -16.5104 -16.5104 -16.4376 -16.4376 -16.3480 -16.3480 -10.2264 -10.2264 -10.2246 -10.2246 -9.1947 -9.1947 -9.1914 -9.1914 -9.1880 -9.1880 3.8058 3.8058 4.7288 4.7288 7.9234 7.9234 8.4216 8.4216 9.7669 9.7669 9.9649 9.9649 10.1087 10.1087 10.1369 10.1369 11.7532 11.7532 11.8761 11.8761 12.5304 12.5304 12.6680 12.6680 13.4499 13.4499 k = 0.2286 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0578 -38.0578 -38.0399 -38.0399 -38.0217 -38.0217 -17.1111 -17.1111 -17.0767 -17.0767 -17.0332 -17.0332 -16.6636 -16.6636 -16.6350 -16.6350 -16.5796 -16.5796 -16.5119 -16.5119 -16.4378 -16.4378 -16.3461 -16.3461 -10.2263 -10.2263 -10.2246 -10.2246 -9.1948 -9.1948 -9.1913 -9.1913 -9.1879 -9.1879 3.8282 3.8282 4.7676 4.7676 7.9080 7.9080 8.3340 8.3340 9.7612 9.7612 9.9339 9.9339 10.0839 10.0839 10.1269 10.1269 11.7927 11.7927 11.9225 11.9225 12.5060 12.5060 12.6710 12.6710 13.4185 13.4185 k = 0.2429 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0570 -38.0570 -38.0399 -38.0399 -38.0225 -38.0225 -17.1102 -17.1102 -17.0777 -17.0777 -17.0341 -17.0341 -16.6645 -16.6645 -16.6345 -16.6345 -16.5788 -16.5788 -16.5132 -16.5132 -16.4382 -16.4382 -16.3441 -16.3441 -10.2262 -10.2262 -10.2247 -10.2247 -9.1948 -9.1948 -9.1912 -9.1912 -9.1878 -9.1878 3.8514 3.8514 4.8082 4.8082 7.8887 7.8887 8.2482 8.2482 9.7551 9.7551 9.9068 9.9068 10.0599 10.0599 10.1150 10.1150 11.8320 11.8320 11.9699 11.9699 12.4827 12.4827 12.6733 12.6733 13.3867 13.3867 k = 0.2571 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0563 -38.0563 -38.0399 -38.0399 -38.0232 -38.0232 -17.1094 -17.1094 -17.0786 -17.0786 -17.0352 -17.0352 -16.6654 -16.6654 -16.6339 -16.6339 -16.5783 -16.5783 -16.5143 -16.5143 -16.4388 -16.4388 -16.3422 -16.3422 -10.2261 -10.2261 -10.2247 -10.2247 -9.1949 -9.1949 -9.1911 -9.1911 -9.1877 -9.1877 3.8752 3.8752 4.8504 4.8504 7.8652 7.8652 8.1647 8.1647 9.7484 9.7484 9.8842 9.8842 10.0366 10.0366 10.1018 10.1018 11.8709 11.8709 12.0181 12.0181 12.4606 12.4606 12.6750 12.6750 13.3545 13.3545 k = 0.2714 0.5000-0.0000 ( 3964 PWs) bands (ev): -38.0555 -38.0555 -38.0399 -38.0399 -38.0240 -38.0240 -17.1086 -17.1086 -17.0793 -17.0793 -17.0363 -17.0363 -16.6663 -16.6663 -16.6331 -16.6331 -16.5779 -16.5779 -16.5150 -16.5150 -16.4394 -16.4394 -16.3402 -16.3402 -10.2260 -10.2260 -10.2247 -10.2247 -9.1949 -9.1949 -9.1910 -9.1910 -9.1876 -9.1876 3.8995 3.8995 4.8939 4.8939 7.8373 7.8373 8.0838 8.0838 9.7415 9.7415 9.8665 9.8665 10.0142 10.0142 10.0877 10.0877 11.9094 11.9094 12.0669 12.0669 12.4399 12.4399 12.6759 12.6759 13.3219 13.3219 k = 0.2857 0.5000-0.0000 ( 3970 PWs) bands (ev): -38.0547 -38.0547 -38.0399 -38.0399 -38.0248 -38.0248 -17.1079 -17.1079 -17.0798 -17.0798 -17.0375 -17.0375 -16.6673 -16.6673 -16.6323 -16.6323 -16.5779 -16.5779 -16.5156 -16.5156 -16.4403 -16.4403 -16.3383 -16.3383 -10.2259 -10.2259 -10.2247 -10.2247 -9.1950 -9.1950 -9.1908 -9.1908 -9.1875 -9.1875 3.9240 3.9240 4.9386 4.9386 7.8051 7.8051 8.0058 8.0058 9.7343 9.7343 9.8537 9.8537 9.9928 9.9928 10.0728 10.0728 11.9471 11.9471 12.1161 12.1161 12.4204 12.4204 12.6761 12.6761 13.2887 13.2887 k = 0.3000 0.5000-0.0000 ( 3968 PWs) bands (ev): -38.0538 -38.0538 -38.0399 -38.0399 -38.0257 -38.0257 -17.1074 -17.1074 -17.0801 -17.0801 -17.0388 -17.0388 -16.6681 -16.6681 -16.6313 -16.6313 -16.5781 -16.5781 -16.5159 -16.5159 -16.4411 -16.4411 -16.3363 -16.3363 -10.2258 -10.2258 -10.2247 -10.2247 -9.1951 -9.1951 -9.1907 -9.1907 -9.1874 -9.1874 3.9486 3.9486 4.9842 4.9842 7.7684 7.7684 7.9315 7.9315 9.7272 9.7272 9.8454 9.8454 9.9724 9.9724 10.0578 10.0578 11.9839 11.9839 12.1653 12.1653 12.4022 12.4022 12.6755 12.6755 13.2546 13.2546 k = 0.3143 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0529 -38.0529 -38.0399 -38.0399 -38.0266 -38.0266 -17.1070 -17.1070 -17.0802 -17.0802 -17.0402 -17.0402 -16.6690 -16.6690 -16.6303 -16.6303 -16.5785 -16.5785 -16.5160 -16.5160 -16.4421 -16.4421 -16.3345 -16.3345 -10.2257 -10.2257 -10.2247 -10.2247 -9.1951 -9.1951 -9.1906 -9.1906 -9.1873 -9.1873 3.9731 3.9731 5.0304 5.0304 7.7277 7.7277 7.8613 7.8613 9.7206 9.7206 9.8411 9.8411 9.9532 9.9532 10.0427 10.0427 12.0196 12.0196 12.2145 12.2145 12.3853 12.3853 12.6743 12.6743 13.2195 13.2195 k = 0.3286 0.5000-0.0000 ( 3968 PWs) bands (ev): -38.0520 -38.0520 -38.0399 -38.0399 -38.0275 -38.0275 -17.1067 -17.1067 -17.0800 -17.0800 -17.0416 -17.0416 -16.6698 -16.6698 -16.6292 -16.6292 -16.5791 -16.5791 -16.5159 -16.5159 -16.4430 -16.4430 -16.3327 -16.3327 -10.2256 -10.2256 -10.2247 -10.2247 -9.1952 -9.1952 -9.1905 -9.1905 -9.1871 -9.1871 3.9973 3.9973 5.0769 5.0769 7.6832 7.6832 7.7955 7.7955 9.7148 9.7148 9.8404 9.8404 9.9352 9.9352 10.0279 10.0279 12.0539 12.0539 12.2633 12.2633 12.3697 12.3697 12.6725 12.6725 13.1830 13.1830 k = 0.3429 0.5000-0.0000 ( 3970 PWs) bands (ev): -38.0511 -38.0511 -38.0399 -38.0399 -38.0284 -38.0284 -17.1066 -17.1066 -17.0795 -17.0795 -17.0431 -17.0431 -16.6706 -16.6706 -16.6280 -16.6280 -16.5798 -16.5798 -16.5157 -16.5157 -16.4441 -16.4441 -16.3310 -16.3310 -10.2255 -10.2255 -10.2248 -10.2248 -9.1953 -9.1953 -9.1905 -9.1905 -9.1870 -9.1870 4.0209 4.0209 5.1231 5.1231 7.6360 7.6360 7.7343 7.7343 9.7096 9.7096 9.8429 9.8429 9.9185 9.9185 10.0136 10.0136 12.0867 12.0867 12.3114 12.3114 12.3556 12.3556 12.6703 12.6703 13.1449 13.1449 k = 0.3571 0.5000-0.0000 ( 3974 PWs) bands (ev): -38.0501 -38.0501 -38.0399 -38.0399 -38.0294 -38.0294 -17.1066 -17.1066 -17.0789 -17.0789 -17.0447 -17.0447 -16.6713 -16.6713 -16.6269 -16.6269 -16.5807 -16.5807 -16.5154 -16.5154 -16.4450 -16.4450 -16.3295 -16.3295 -10.2255 -10.2255 -10.2248 -10.2248 -9.1953 -9.1953 -9.1904 -9.1904 -9.1869 -9.1869 4.0437 4.0437 5.1687 5.1687 7.5872 7.5872 7.6776 7.6776 9.7051 9.7051 9.8480 9.8480 9.9030 9.9030 10.0001 10.0001 12.1177 12.1177 12.3423 12.3423 12.3589 12.3589 12.6676 12.6676 13.1055 13.1055 k = 0.3714 0.5000-0.0000 ( 3968 PWs) bands (ev): -38.0491 -38.0491 -38.0399 -38.0399 -38.0303 -38.0303 -17.1067 -17.1067 -17.0779 -17.0779 -17.0463 -17.0463 -16.6719 -16.6719 -16.6257 -16.6257 -16.5816 -16.5816 -16.5150 -16.5150 -16.4460 -16.4460 -16.3280 -16.3280 -10.2254 -10.2254 -10.2248 -10.2248 -9.1954 -9.1954 -9.1903 -9.1903 -9.1868 -9.1868 4.0654 4.0654 5.2132 5.2132 7.5384 7.5384 7.6250 7.6250 9.7012 9.7012 9.8553 9.8553 9.8889 9.8889 9.9875 9.9875 12.1466 12.1466 12.3308 12.3308 12.4044 12.4044 12.6648 12.6648 13.0652 13.0652 k = 0.3857 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0481 -38.0481 -38.0398 -38.0398 -38.0313 -38.0313 -17.1069 -17.1069 -17.0769 -17.0769 -17.0480 -17.0480 -16.6726 -16.6726 -16.6246 -16.6246 -16.5825 -16.5825 -16.5146 -16.5146 -16.4469 -16.4469 -16.3267 -16.3267 -10.2253 -10.2253 -10.2248 -10.2248 -9.1954 -9.1954 -9.1903 -9.1903 -9.1867 -9.1867 4.0858 4.0858 5.2559 5.2559 7.4913 7.4913 7.5761 7.5761 9.6978 9.6978 9.8640 9.8640 9.8762 9.8762 9.9760 9.9760 12.1733 12.1733 12.3205 12.3205 12.4482 12.4482 12.6619 12.6619 13.0248 13.0248 k = 0.4000 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0471 -38.0471 -38.0398 -38.0398 -38.0324 -38.0324 -17.1071 -17.1071 -17.0756 -17.0756 -17.0497 -17.0497 -16.6731 -16.6731 -16.6235 -16.6235 -16.5835 -16.5835 -16.5142 -16.5142 -16.4478 -16.4478 -16.3255 -16.3255 -10.2253 -10.2253 -10.2248 -10.2248 -9.1955 -9.1955 -9.1902 -9.1902 -9.1866 -9.1866 4.1045 4.1045 5.2962 5.2962 7.4472 7.4472 7.5311 7.5311 9.6948 9.6948 9.8648 9.8648 9.8735 9.8735 9.9660 9.9660 12.1976 12.1976 12.3114 12.3114 12.4896 12.4896 12.6592 12.6592 12.9852 12.9852 k = 0.4143 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0461 -38.0461 -38.0398 -38.0398 -38.0334 -38.0334 -17.1073 -17.1073 -17.0742 -17.0742 -17.0515 -17.0515 -16.6735 -16.6735 -16.6224 -16.6224 -16.5844 -16.5844 -16.5138 -16.5138 -16.4486 -16.4486 -16.3244 -16.3244 -10.2252 -10.2252 -10.2248 -10.2248 -9.1955 -9.1955 -9.1902 -9.1902 -9.1865 -9.1865 4.1214 4.1214 5.3335 5.3335 7.4070 7.4070 7.4903 7.4903 9.6923 9.6923 9.8550 9.8550 9.8831 9.8831 9.9575 9.9575 12.2192 12.2192 12.3036 12.3036 12.5279 12.5279 12.6568 12.6568 12.9477 12.9477 k = 0.4286 0.5000-0.0000 ( 3976 PWs) bands (ev): -38.0451 -38.0451 -38.0398 -38.0398 -38.0344 -38.0344 -17.1076 -17.1076 -17.0727 -17.0727 -17.0532 -17.0532 -16.6740 -16.6740 -16.6215 -16.6215 -16.5853 -16.5853 -16.5134 -16.5134 -16.4493 -16.4493 -16.3235 -16.3235 -10.2252 -10.2252 -10.2248 -10.2248 -9.1955 -9.1955 -9.1901 -9.1901 -9.1865 -9.1865 4.1362 4.1362 5.3668 5.3668 7.3715 7.3715 7.4543 7.4543 9.6901 9.6901 9.8466 9.8466 9.8918 9.8918 9.9509 9.9509 12.2378 12.2378 12.2970 12.2970 12.5624 12.5624 12.6548 12.6548 12.9135 12.9135 k = 0.4429 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0440 -38.0440 -38.0398 -38.0398 -38.0355 -38.0355 -17.1078 -17.1078 -17.0712 -17.0712 -17.0550 -17.0550 -16.6743 -16.6743 -16.6207 -16.6207 -16.5860 -16.5860 -16.5130 -16.5130 -16.4498 -16.4498 -16.3227 -16.3227 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1901 -9.1901 -9.1864 -9.1864 4.1487 4.1487 5.3956 5.3956 7.3415 7.3415 7.4237 7.4237 9.6883 9.6883 9.8397 9.8397 9.8990 9.8990 9.9464 9.9464 12.2534 12.2534 12.2917 12.2917 12.5922 12.5922 12.6534 12.6534 12.8836 12.8836 k = 0.4571 0.5000-0.0000 ( 3972 PWs) bands (ev): -38.0429 -38.0429 -38.0398 -38.0398 -38.0365 -38.0365 -17.1080 -17.1080 -17.0696 -17.0696 -17.0567 -17.0567 -16.6745 -16.6745 -16.6200 -16.6200 -16.5867 -16.5867 -16.5127 -16.5127 -16.4503 -16.4503 -16.3222 -16.3222 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1901 -9.1901 -9.1863 -9.1863 4.1586 4.1586 5.4189 5.4189 7.3174 7.3174 7.3991 7.3991 9.6869 9.6869 9.8344 9.8344 9.9038 9.9038 9.9442 9.9442 12.2656 12.2656 12.2876 12.2876 12.6162 12.6162 12.6528 12.6528 12.8591 12.8591 k = 0.4714 0.5000-0.0000 ( 3964 PWs) bands (ev): -38.0419 -38.0419 -38.0398 -38.0398 -38.0376 -38.0376 -17.1081 -17.1081 -17.0681 -17.0681 -17.0583 -17.0583 -16.6747 -16.6747 -16.6194 -16.6194 -16.5871 -16.5871 -16.5125 -16.5125 -16.4506 -16.4506 -16.3217 -16.3217 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1900 -9.1900 -9.1863 -9.1863 4.1658 4.1658 5.4361 5.4361 7.2998 7.2998 7.3812 7.3812 9.6859 9.6859 9.8306 9.8306 9.9064 9.9064 9.9439 9.9439 12.2743 12.2743 12.2848 12.2848 12.6332 12.6332 12.6535 12.6535 12.8408 12.8408 k = 0.4857 0.5000-0.0000 ( 3958 PWs) bands (ev): -38.0408 -38.0408 -38.0398 -38.0398 -38.0387 -38.0387 -17.1082 -17.1082 -17.0669 -17.0669 -17.0595 -17.0595 -16.6748 -16.6748 -16.6191 -16.6191 -16.5874 -16.5874 -16.5124 -16.5124 -16.4508 -16.4508 -16.3215 -16.3215 -10.2250 -10.2250 -10.2248 -10.2248 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1702 4.1702 5.4467 5.4467 7.2890 7.2890 7.3702 7.3702 9.6853 9.6853 9.8283 9.8283 9.9075 9.9075 9.9444 9.9444 12.2789 12.2789 12.2839 12.2839 12.6419 12.6419 12.6558 12.6558 12.8296 12.8296 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1081 -17.1081 -17.0663 -17.0663 -17.0600 -17.0600 -16.6748 -16.6748 -16.6189 -16.6189 -16.5874 -16.5874 -16.5123 -16.5123 -16.4508 -16.4508 -16.3213 -16.3213 -10.2250 -10.2250 -10.2247 -10.2247 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1716 4.1716 5.4503 5.4503 7.2854 7.2854 7.3666 7.3666 9.6852 9.6852 9.8276 9.8276 9.9078 9.9078 9.9448 9.9448 12.2799 12.2799 12.2842 12.2842 12.6440 12.6440 12.6575 12.6575 12.8258 12.8258 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1081 -17.1081 -17.0663 -17.0663 -17.0600 -17.0600 -16.6748 -16.6748 -16.6189 -16.6189 -16.5874 -16.5874 -16.5123 -16.5123 -16.4508 -16.4508 -16.3213 -16.3213 -10.2250 -10.2250 -10.2247 -10.2247 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1716 4.1716 5.4503 5.4503 7.2854 7.2854 7.3666 7.3666 9.6852 9.6852 9.8276 9.8276 9.9078 9.9078 9.9448 9.9448 12.2799 12.2799 12.2842 12.2842 12.6440 12.6440 12.6575 12.6575 12.8258 12.8258 k = 0.4898 0.4898-0.0000 ( 3958 PWs) bands (ev): -38.0408 -38.0408 -38.0398 -38.0398 -38.0387 -38.0387 -17.1082 -17.1082 -17.0669 -17.0669 -17.0595 -17.0595 -16.6748 -16.6748 -16.6191 -16.6191 -16.5874 -16.5874 -16.5124 -16.5124 -16.4508 -16.4508 -16.3215 -16.3215 -10.2250 -10.2250 -10.2248 -10.2248 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1701 4.1701 5.4466 5.4466 7.2890 7.2890 7.3704 7.3704 9.6853 9.6853 9.8283 9.8283 9.9074 9.9074 9.9444 9.9444 12.2787 12.2787 12.2841 12.2841 12.6417 12.6417 12.6559 12.6559 12.8297 12.8297 k = 0.4796 0.4796-0.0000 ( 3966 PWs) bands (ev): -38.0420 -38.0420 -38.0397 -38.0397 -38.0376 -38.0376 -17.1081 -17.1081 -17.0682 -17.0682 -17.0582 -17.0582 -16.6747 -16.6747 -16.6195 -16.6195 -16.5871 -16.5871 -16.5125 -16.5125 -16.4506 -16.4506 -16.3217 -16.3217 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1900 -9.1900 -9.1863 -9.1863 4.1656 4.1656 5.4360 5.4360 7.2992 7.2992 7.3823 7.3823 9.6859 9.6859 9.8306 9.8306 9.9058 9.9058 9.9444 9.9444 12.2726 12.2726 12.2865 12.2865 12.6319 12.6319 12.6544 12.6544 12.8412 12.8412 k = 0.4694 0.4694-0.0000 ( 3966 PWs) bands (ev): -38.0431 -38.0431 -38.0396 -38.0396 -38.0366 -38.0366 -17.1080 -17.1080 -17.0697 -17.0697 -17.0566 -17.0566 -16.6745 -16.6745 -16.6200 -16.6200 -16.5866 -16.5866 -16.5127 -16.5127 -16.4503 -16.4503 -16.3222 -16.3222 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1901 -9.1901 -9.1863 -9.1863 4.1580 4.1580 5.4188 5.4188 7.3141 7.3141 7.4036 7.4036 9.6869 9.6869 9.8346 9.8346 9.9014 9.9014 9.9467 9.9467 12.2616 12.2616 12.2915 12.2915 12.6128 12.6128 12.6553 12.6553 12.8602 12.8602 k = 0.4592 0.4592-0.0000 ( 3962 PWs) bands (ev): -38.0443 -38.0443 -38.0394 -38.0394 -38.0356 -38.0356 -17.1077 -17.1077 -17.0713 -17.0713 -17.0548 -17.0548 -16.6742 -16.6742 -16.6207 -16.6207 -16.5860 -16.5860 -16.5130 -16.5130 -16.4498 -16.4498 -16.3227 -16.3227 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1901 -9.1901 -9.1864 -9.1864 4.1471 4.1471 5.3962 5.3962 7.3317 7.3317 7.4355 7.4355 9.6882 9.6882 9.8401 9.8401 9.8930 9.8930 9.9526 9.9526 12.2463 12.2463 12.2986 12.2986 12.5862 12.5862 12.6576 12.6576 12.8861 12.8861 k = 0.4490 0.4490-0.0000 ( 3970 PWs) bands (ev): -38.0455 -38.0455 -38.0392 -38.0392 -38.0346 -38.0346 -17.1075 -17.1075 -17.0731 -17.0731 -17.0529 -17.0529 -16.6739 -16.6739 -16.6215 -16.6215 -16.5853 -16.5853 -16.5134 -16.5134 -16.4492 -16.4492 -16.3235 -16.3235 -10.2251 -10.2251 -10.2248 -10.2248 -9.1955 -9.1955 -9.1901 -9.1901 -9.1864 -9.1864 4.1330 4.1330 5.3691 5.3691 7.3510 7.3510 7.4777 7.4777 9.6898 9.6898 9.8471 9.8471 9.8810 9.8810 9.9622 9.9622 12.2271 12.2271 12.3078 12.3078 12.5532 12.5532 12.6609 12.6609 12.9182 12.9182 k = 0.4388 0.4388-0.0000 ( 3974 PWs) bands (ev): -38.0467 -38.0467 -38.0390 -38.0390 -38.0337 -38.0337 -17.1072 -17.1072 -17.0748 -17.0748 -17.0510 -17.0510 -16.6735 -16.6735 -16.6225 -16.6225 -16.5844 -16.5844 -16.5138 -16.5138 -16.4484 -16.4484 -16.3244 -16.3244 -10.2252 -10.2252 -10.2248 -10.2248 -9.1955 -9.1955 -9.1902 -9.1902 -9.1865 -9.1865 4.1153 4.1153 5.3389 5.3389 7.3721 7.3721 7.5293 7.5293 9.6915 9.6915 9.8556 9.8556 9.8667 9.8667 9.9753 9.9753 12.2041 12.2041 12.3189 12.3189 12.5150 12.5150 12.6649 12.6649 12.9558 12.9558 k = 0.4286 0.4286-0.0000 ( 3986 PWs) bands (ev): -38.0479 -38.0479 -38.0386 -38.0386 -38.0328 -38.0328 -17.1070 -17.1070 -17.0766 -17.0766 -17.0490 -17.0490 -16.6731 -16.6731 -16.6235 -16.6235 -16.5836 -16.5836 -16.5143 -16.5143 -16.4476 -16.4476 -16.3254 -16.3254 -10.2253 -10.2253 -10.2249 -10.2249 -9.1955 -9.1955 -9.1902 -9.1902 -9.1867 -9.1867 4.0939 4.0939 5.3066 5.3066 7.3952 7.3952 7.5887 7.5887 9.6931 9.6931 9.8502 9.8502 9.8663 9.8663 9.9914 9.9914 12.1777 12.1777 12.3320 12.3320 12.4724 12.4724 12.6695 12.6695 12.9979 12.9979 k = 0.4184 0.4184-0.0000 ( 3992 PWs) bands (ev): -38.0491 -38.0491 -38.0383 -38.0383 -38.0319 -38.0319 -17.1067 -17.1067 -17.0783 -17.0783 -17.0470 -17.0470 -16.6725 -16.6725 -16.6246 -16.6246 -16.5827 -16.5827 -16.5149 -16.5149 -16.4466 -16.4466 -16.3265 -16.3265 -10.2254 -10.2254 -10.2249 -10.2249 -9.1955 -9.1955 -9.1903 -9.1903 -9.1868 -9.1868 4.0688 4.0688 5.2734 5.2734 7.4207 7.4207 7.6543 7.6543 9.6947 9.6947 9.8339 9.8339 9.8779 9.8779 10.0104 10.0104 12.1484 12.1484 12.3469 12.3469 12.4263 12.4263 12.6745 12.6745 13.0436 13.0436 k = 0.4082 0.4082-0.0000 ( 3984 PWs) bands (ev): -38.0504 -38.0504 -38.0379 -38.0379 -38.0310 -38.0310 -17.1063 -17.1063 -17.0800 -17.0800 -17.0450 -17.0450 -16.6719 -16.6719 -16.6257 -16.6257 -16.5819 -16.5819 -16.5155 -16.5155 -16.4455 -16.4455 -16.3276 -16.3276 -10.2254 -10.2254 -10.2249 -10.2249 -9.1954 -9.1954 -9.1903 -9.1903 -9.1869 -9.1869 4.0397 4.0397 5.2403 5.2403 7.4487 7.4487 7.7250 7.7250 9.6958 9.6958 9.8182 9.8182 9.8913 9.8913 10.0322 10.0322 12.1165 12.1165 12.3633 12.3633 12.3776 12.3776 12.6799 12.6799 13.0918 13.0918 k = 0.3980 0.3980-0.0000 ( 3984 PWs) bands (ev): -38.0517 -38.0517 -38.0375 -38.0375 -38.0302 -38.0302 -17.1060 -17.1060 -17.0816 -17.0816 -17.0429 -17.0429 -16.6712 -16.6712 -16.6269 -16.6269 -16.5811 -16.5811 -16.5161 -16.5161 -16.4442 -16.4442 -16.3288 -16.3288 -10.2255 -10.2255 -10.2249 -10.2249 -9.1954 -9.1954 -9.1904 -9.1904 -9.1870 -9.1870 4.0067 4.0067 5.2080 5.2080 7.4795 7.4795 7.7997 7.7997 9.6961 9.6961 9.8041 9.8041 9.9061 9.9061 10.0568 10.0568 12.0822 12.0822 12.3256 12.3256 12.3823 12.3823 12.6856 12.6856 13.1410 13.1410 k = 0.3878 0.3878-0.0000 ( 3978 PWs) bands (ev): -38.0530 -38.0530 -38.0370 -38.0370 -38.0294 -38.0294 -17.1057 -17.1057 -17.0833 -17.0833 -17.0407 -17.0407 -16.6705 -16.6705 -16.6280 -16.6280 -16.5804 -16.5804 -16.5167 -16.5167 -16.4428 -16.4428 -16.3301 -16.3301 -10.2256 -10.2256 -10.2249 -10.2249 -9.1953 -9.1953 -9.1905 -9.1905 -9.1872 -9.1872 3.9699 3.9699 5.1772 5.1772 7.5131 7.5131 7.8773 7.8773 9.6954 9.6954 9.7926 9.7926 9.9225 9.9225 10.0840 10.0840 12.0460 12.0460 12.2723 12.2723 12.4024 12.4024 12.6914 12.6914 13.1901 13.1901 k = 0.3776 0.3776-0.0000 ( 3974 PWs) bands (ev): -38.0542 -38.0542 -38.0365 -38.0365 -38.0286 -38.0286 -17.1055 -17.1055 -17.0850 -17.0850 -17.0386 -17.0386 -16.6697 -16.6697 -16.6291 -16.6291 -16.5798 -16.5798 -16.5174 -16.5174 -16.4413 -16.4413 -16.3314 -16.3314 -10.2257 -10.2257 -10.2249 -10.2249 -9.1953 -9.1953 -9.1905 -9.1905 -9.1873 -9.1873 3.9292 3.9292 5.1482 5.1482 7.5494 7.5494 7.9570 7.9570 9.6935 9.6935 9.7846 9.7846 9.9404 9.9404 10.1138 10.1138 12.0080 12.0080 12.2174 12.2174 12.4241 12.4241 12.6972 12.6972 13.2374 13.2374 k = 0.3673 0.3673-0.0000 ( 3966 PWs) bands (ev): -38.0556 -38.0556 -38.0359 -38.0359 -38.0279 -38.0279 -17.1053 -17.1053 -17.0865 -17.0865 -17.0365 -17.0365 -16.6688 -16.6688 -16.6302 -16.6302 -16.5793 -16.5793 -16.5180 -16.5180 -16.4396 -16.4396 -16.3326 -16.3326 -10.2258 -10.2258 -10.2249 -10.2249 -9.1952 -9.1952 -9.1906 -9.1906 -9.1875 -9.1875 3.8850 3.8850 5.1214 5.1214 7.5884 7.5884 8.0381 8.0381 9.6909 9.6909 9.7803 9.7803 9.9598 9.9598 10.1462 10.1462 11.9687 11.9687 12.1614 12.1614 12.4474 12.4474 12.7027 12.7027 13.2812 13.2812 k = 0.3571 0.3571-0.0000 ( 3966 PWs) bands (ev): -38.0569 -38.0569 -38.0354 -38.0354 -38.0272 -38.0272 -17.1052 -17.1052 -17.0881 -17.0881 -17.0344 -17.0344 -16.6679 -16.6679 -16.6313 -16.6313 -16.5789 -16.5789 -16.5188 -16.5188 -16.4378 -16.4378 -16.3339 -16.3339 -10.2259 -10.2259 -10.2249 -10.2249 -9.1952 -9.1952 -9.1907 -9.1907 -9.1877 -9.1877 3.8376 3.8376 5.0968 5.0968 7.6301 7.6301 8.1198 8.1198 9.6887 9.6887 9.7793 9.7793 9.9806 9.9806 10.1810 10.1810 11.9282 11.9282 12.1045 12.1045 12.4720 12.4720 12.7079 12.7079 13.3194 13.3194 k = 0.3469 0.3469-0.0000 ( 3968 PWs) bands (ev): -38.0582 -38.0582 -38.0347 -38.0347 -38.0265 -38.0265 -17.1053 -17.1053 -17.0897 -17.0897 -17.0322 -17.0322 -16.6670 -16.6670 -16.6323 -16.6323 -16.5787 -16.5787 -16.5195 -16.5195 -16.4359 -16.4359 -16.3351 -16.3351 -10.2260 -10.2260 -10.2249 -10.2249 -9.1952 -9.1952 -9.1908 -9.1908 -9.1879 -9.1879 3.7872 3.7872 5.0744 5.0744 7.6745 7.6745 8.2014 8.2014 9.6880 9.6880 9.7810 9.7810 10.0028 10.0028 10.2182 10.2182 11.8869 11.8869 12.0470 12.0470 12.4979 12.4979 12.7125 12.7125 13.3499 13.3499 k = 0.3367 0.3367-0.0000 ( 3966 PWs) bands (ev): -38.0595 -38.0595 -38.0341 -38.0341 -38.0258 -38.0258 -17.1053 -17.1053 -17.0911 -17.0911 -17.0301 -17.0301 -16.6660 -16.6660 -16.6333 -16.6333 -16.5786 -16.5786 -16.5204 -16.5204 -16.4338 -16.4338 -16.3362 -16.3362 -10.2261 -10.2261 -10.2250 -10.2250 -9.1952 -9.1952 -9.1909 -9.1909 -9.1881 -9.1881 3.7343 3.7343 5.0541 5.0541 7.7215 7.7215 8.2824 8.2824 9.6903 9.6903 9.7849 9.7849 10.0263 10.0263 10.2577 10.2577 11.8450 11.8450 11.9890 11.9890 12.5250 12.5250 12.7165 12.7165 13.3700 13.3700 k = 0.3265 0.3265-0.0000 ( 3966 PWs) bands (ev): -38.0608 -38.0608 -38.0334 -38.0334 -38.0252 -38.0252 -17.1056 -17.1056 -17.0926 -17.0926 -17.0280 -17.0280 -16.6650 -16.6650 -16.6342 -16.6342 -16.5786 -16.5786 -16.5212 -16.5212 -16.4315 -16.4315 -16.3372 -16.3372 -10.2262 -10.2262 -10.2251 -10.2251 -9.1952 -9.1952 -9.1911 -9.1911 -9.1883 -9.1883 3.6793 3.6793 5.0357 5.0357 7.7710 7.7710 8.3621 8.3621 9.6964 9.6964 9.7904 9.7904 10.0512 10.0512 10.2993 10.2993 11.8027 11.8027 11.9308 11.9308 12.5531 12.5531 12.7197 12.7197 13.3775 13.3775 k = 0.3163 0.3163-0.0000 ( 3964 PWs) bands (ev): -38.0621 -38.0621 -38.0328 -38.0328 -38.0246 -38.0246 -17.1059 -17.1059 -17.0940 -17.0940 -17.0259 -17.0259 -16.6640 -16.6640 -16.6351 -16.6351 -16.5788 -16.5788 -16.5222 -16.5222 -16.4290 -16.4290 -16.3382 -16.3382 -10.2264 -10.2264 -10.2251 -10.2251 -9.1952 -9.1952 -9.1912 -9.1912 -9.1885 -9.1885 3.6227 3.6227 5.0190 5.0190 7.8229 7.8229 8.4401 8.4401 9.7073 9.7073 9.7973 9.7973 10.0773 10.0773 10.3429 10.3429 11.7602 11.7602 11.8726 11.8726 12.5822 12.5822 12.7220 12.7220 13.3712 13.3712 k = 0.3061 0.3061-0.0000 ( 3964 PWs) bands (ev): -38.0634 -38.0634 -38.0320 -38.0320 -38.0240 -38.0240 -17.1064 -17.1064 -17.0953 -17.0953 -17.0238 -17.0238 -16.6630 -16.6630 -16.6360 -16.6360 -16.5791 -16.5791 -16.5231 -16.5231 -16.4264 -16.4264 -16.3390 -16.3390 -10.2265 -10.2265 -10.2252 -10.2252 -9.1952 -9.1952 -9.1913 -9.1913 -9.1888 -9.1888 3.5647 3.5647 5.0038 5.0038 7.8773 7.8773 8.5157 8.5157 9.7235 9.7235 9.8052 9.8052 10.1047 10.1047 10.3883 10.3883 11.7176 11.7176 11.8144 11.8144 12.6121 12.6121 12.7233 12.7233 13.3515 13.3515 k = 0.2959 0.2959-0.0000 ( 3960 PWs) bands (ev): -38.0647 -38.0647 -38.0313 -38.0313 -38.0234 -38.0234 -17.1070 -17.1070 -17.0966 -17.0966 -17.0218 -17.0218 -16.6619 -16.6619 -16.6368 -16.6368 -16.5796 -16.5796 -16.5241 -16.5241 -16.4235 -16.4235 -16.3398 -16.3398 -10.2266 -10.2266 -10.2253 -10.2253 -9.1952 -9.1952 -9.1914 -9.1914 -9.1890 -9.1890 3.5060 3.5060 4.9898 4.9898 7.9341 7.9341 8.5886 8.5886 9.7455 9.7455 9.8141 9.8141 10.1333 10.1333 10.4355 10.4355 11.6752 11.6752 11.7563 11.7563 12.6424 12.6424 12.7237 12.7237 13.3207 13.3207 k = 0.2857 0.2857-0.0000 ( 3960 PWs) bands (ev): -38.0660 -38.0660 -38.0306 -38.0306 -38.0229 -38.0229 -17.1077 -17.1077 -17.0978 -17.0978 -17.0199 -17.0199 -16.6609 -16.6609 -16.6375 -16.6375 -16.5801 -16.5801 -16.5252 -16.5252 -16.4205 -16.4205 -16.3404 -16.3404 -10.2268 -10.2268 -10.2254 -10.2254 -9.1952 -9.1952 -9.1916 -9.1916 -9.1893 -9.1893 3.4467 3.4467 4.9768 4.9768 7.9930 7.9930 8.6587 8.6587 9.7733 9.7733 9.8241 9.8241 10.1629 10.1629 10.4839 10.4839 11.6330 11.6330 11.6986 11.6986 12.6725 12.6725 12.7237 12.7237 13.2821 13.2821 k = 0.2755 0.2755-0.0000 ( 3970 PWs) bands (ev): -38.0673 -38.0673 -38.0298 -38.0298 -38.0223 -38.0223 -17.1085 -17.1085 -17.0991 -17.0991 -17.0179 -17.0179 -16.6600 -16.6600 -16.6383 -16.6383 -16.5807 -16.5807 -16.5264 -16.5264 -16.4173 -16.4173 -16.3410 -16.3410 -10.2269 -10.2269 -10.2256 -10.2256 -9.1952 -9.1952 -9.1918 -9.1918 -9.1895 -9.1895 3.3874 3.3874 4.9645 4.9645 8.0542 8.0542 8.7257 8.7257 9.8060 9.8060 9.8361 9.8361 10.1936 10.1936 10.5335 10.5335 11.5912 11.5912 11.6412 11.6412 12.6986 12.6986 12.7269 12.7269 13.2384 13.2384 k = 0.2653 0.2653-0.0000 ( 3974 PWs) bands (ev): -38.0686 -38.0686 -38.0291 -38.0291 -38.0219 -38.0219 -17.1094 -17.1094 -17.1003 -17.1003 -17.0161 -17.0161 -16.6591 -16.6591 -16.6390 -16.6390 -16.5814 -16.5814 -16.5276 -16.5276 -16.4140 -16.4140 -16.3414 -16.3414 -10.2271 -10.2271 -10.2257 -10.2257 -9.1953 -9.1953 -9.1920 -9.1920 -9.1898 -9.1898 3.3282 3.3282 4.9529 4.9529 8.1174 8.1174 8.7898 8.7898 9.8356 9.8356 9.8580 9.8580 10.2252 10.2252 10.5838 10.5838 11.5501 11.5501 11.5842 11.5842 12.7076 12.7076 12.7464 12.7464 13.1920 13.1920 k = 0.2551 0.2551-0.0000 ( 3974 PWs) bands (ev): -38.0698 -38.0698 -38.0283 -38.0283 -38.0214 -38.0214 -17.1104 -17.1104 -17.1014 -17.1014 -17.0143 -17.0143 -16.6582 -16.6582 -16.6396 -16.6396 -16.5821 -16.5821 -16.5289 -16.5289 -16.4105 -16.4105 -16.3417 -16.3417 -10.2272 -10.2272 -10.2259 -10.2259 -9.1953 -9.1953 -9.1921 -9.1921 -9.1901 -9.1901 3.2696 3.2696 4.9417 4.9417 8.1826 8.1826 8.8510 8.8510 9.8515 9.8515 9.8998 9.8998 10.2578 10.2578 10.6345 10.6345 11.5096 11.5096 11.5279 11.5279 12.7052 12.7052 12.7765 12.7765 13.1449 13.1449 k = 0.2449 0.2449-0.0000 ( 3974 PWs) bands (ev): -38.0710 -38.0710 -38.0276 -38.0276 -38.0209 -38.0209 -17.1114 -17.1114 -17.1027 -17.1027 -17.0126 -17.0126 -16.6573 -16.6573 -16.6402 -16.6402 -16.5828 -16.5828 -16.5301 -16.5301 -16.4068 -16.4068 -16.3419 -16.3419 -10.2274 -10.2274 -10.2260 -10.2260 -9.1954 -9.1954 -9.1923 -9.1923 -9.1904 -9.1904 3.2117 3.2117 4.9309 4.9309 8.2498 8.2498 8.9097 8.9097 9.8644 9.8644 9.9503 9.9503 10.2912 10.2912 10.6851 10.6851 11.4689 11.4689 11.4732 11.4732 12.7001 12.7001 12.8085 12.8085 13.0983 13.0983 k = 0.2347 0.2347-0.0000 ( 3970 PWs) bands (ev): -38.0722 -38.0722 -38.0268 -38.0268 -38.0205 -38.0205 -17.1125 -17.1125 -17.1039 -17.1039 -17.0109 -17.0109 -16.6566 -16.6566 -16.6407 -16.6407 -16.5835 -16.5835 -16.5314 -16.5314 -16.4030 -16.4030 -16.3420 -16.3420 -10.2275 -10.2275 -10.2262 -10.2262 -9.1954 -9.1954 -9.1925 -9.1925 -9.1906 -9.1906 3.1547 3.1547 4.9202 4.9202 8.3188 8.3188 8.9664 8.9664 9.8772 9.8772 10.0060 10.0060 10.3253 10.3253 10.7349 10.7349 11.4163 11.4163 11.4318 11.4318 12.6940 12.6940 12.8410 12.8410 13.0536 13.0536 k = 0.2245 0.2245-0.0000 ( 3964 PWs) bands (ev): -38.0734 -38.0734 -38.0260 -38.0260 -38.0201 -38.0201 -17.1136 -17.1136 -17.1052 -17.1052 -17.0093 -17.0093 -16.6559 -16.6559 -16.6413 -16.6413 -16.5842 -16.5842 -16.5327 -16.5327 -16.3990 -16.3990 -16.3419 -16.3419 -10.2276 -10.2276 -10.2263 -10.2263 -9.1955 -9.1955 -9.1927 -9.1927 -9.1909 -9.1909 3.0990 3.0990 4.9097 4.9097 8.3896 8.3896 9.0215 9.0215 9.8900 9.8900 10.0655 10.0655 10.3601 10.3601 10.7833 10.7833 11.3618 11.3618 11.3940 11.3940 12.6876 12.6876 12.8736 12.8736 13.0117 13.0117 k = 0.2143 0.2143-0.0000 ( 3968 PWs) bands (ev): -38.0745 -38.0745 -38.0253 -38.0253 -38.0197 -38.0197 -17.1146 -17.1146 -17.1065 -17.1065 -17.0079 -17.0079 -16.6553 -16.6553 -16.6418 -16.6418 -16.5848 -16.5848 -16.5341 -16.5341 -16.3951 -16.3951 -16.3419 -16.3419 -10.2278 -10.2278 -10.2265 -10.2265 -9.1955 -9.1955 -9.1929 -9.1929 -9.1912 -9.1912 3.0447 3.0447 4.8992 4.8992 8.4621 8.4621 9.0754 9.0754 9.9030 9.9030 10.1279 10.1279 10.3954 10.3954 10.8295 10.8295 11.3079 11.3079 11.3574 11.3574 12.6814 12.6814 12.9055 12.9055 12.9737 12.9737 k = 0.2041 0.2041-0.0000 ( 3958 PWs) bands (ev): -38.0756 -38.0756 -38.0246 -38.0246 -38.0194 -38.0194 -17.1157 -17.1157 -17.1078 -17.1078 -17.0064 -17.0064 -16.6548 -16.6548 -16.6423 -16.6423 -16.5854 -16.5854 -16.5353 -16.5353 -16.3910 -16.3910 -16.3417 -16.3417 -10.2279 -10.2279 -10.2267 -10.2267 -9.1956 -9.1956 -9.1931 -9.1931 -9.1915 -9.1915 2.9920 2.9920 4.8889 4.8889 8.5361 8.5361 9.1287 9.1287 9.9163 9.9163 10.1922 10.1922 10.4312 10.4312 10.8727 10.8727 11.2549 11.2549 11.3220 11.3220 12.6764 12.6764 12.9284 12.9284 12.9487 12.9487 k = 0.1939 0.1939-0.0000 ( 3956 PWs) bands (ev): -38.0767 -38.0767 -38.0238 -38.0238 -38.0190 -38.0190 -17.1168 -17.1168 -17.1092 -17.1092 -17.0051 -17.0051 -16.6543 -16.6543 -16.6429 -16.6429 -16.5858 -16.5858 -16.5366 -16.5366 -16.3869 -16.3869 -16.3415 -16.3415 -10.2281 -10.2281 -10.2269 -10.2269 -9.1957 -9.1957 -9.1933 -9.1933 -9.1918 -9.1918 2.9411 2.9411 4.8785 4.8785 8.6117 8.6117 9.1817 9.1817 9.9297 9.9297 10.2576 10.2576 10.4673 10.4673 10.9118 10.9118 11.2024 11.2024 11.2879 11.2879 12.6734 12.6734 12.9063 12.9063 12.9733 12.9733 k = 0.1837 0.1837-0.0000 ( 3958 PWs) bands (ev): -38.0778 -38.0778 -38.0231 -38.0231 -38.0187 -38.0187 -17.1178 -17.1178 -17.1106 -17.1106 -17.0039 -17.0039 -16.6539 -16.6539 -16.6435 -16.6435 -16.5862 -16.5862 -16.5378 -16.5378 -16.3829 -16.3829 -16.3413 -16.3413 -10.2282 -10.2282 -10.2271 -10.2271 -9.1958 -9.1958 -9.1935 -9.1935 -9.1921 -9.1921 2.8920 2.8920 4.8682 4.8682 8.6886 8.6886 9.2346 9.2346 9.9433 9.9433 10.3230 10.3230 10.5035 10.5035 10.9457 10.9457 11.1507 11.1507 11.2551 11.2551 12.6732 12.6732 12.8827 12.8827 13.0042 13.0042 k = 0.1735 0.1735-0.0000 ( 3950 PWs) bands (ev): -38.0788 -38.0788 -38.0224 -38.0224 -38.0184 -38.0184 -17.1188 -17.1188 -17.1120 -17.1120 -17.0027 -17.0027 -16.6536 -16.6536 -16.6440 -16.6440 -16.5865 -16.5865 -16.5390 -16.5390 -16.3788 -16.3788 -16.3410 -16.3410 -10.2283 -10.2283 -10.2273 -10.2273 -9.1958 -9.1958 -9.1937 -9.1937 -9.1924 -9.1924 2.8450 2.8450 4.8581 4.8581 8.7669 8.7669 9.2878 9.2878 9.9568 9.9568 10.3878 10.3878 10.5398 10.5398 10.9734 10.9734 11.0998 11.0998 11.2237 11.2237 12.6769 12.6769 12.8648 12.8648 13.0351 13.0351 k = 0.1633 0.1633-0.0000 ( 3938 PWs) bands (ev): -38.0797 -38.0797 -38.0218 -38.0218 -38.0181 -38.0181 -17.1198 -17.1198 -17.1133 -17.1133 -17.0017 -17.0017 -16.6533 -16.6533 -16.6446 -16.6446 -16.5867 -16.5867 -16.5401 -16.5401 -16.3747 -16.3747 -16.3407 -16.3407 -10.2284 -10.2284 -10.2275 -10.2275 -9.1959 -9.1959 -9.1938 -9.1938 -9.1926 -9.1926 2.8001 2.8001 4.8481 4.8481 8.8464 8.8464 9.3414 9.3414 9.9703 9.9703 10.4511 10.4511 10.5760 10.5760 10.9937 10.9937 11.0497 11.0497 11.1939 11.1939 12.6854 12.6854 12.8536 12.8536 13.0655 13.0655 k = 0.1531 0.1531-0.0000 ( 3938 PWs) bands (ev): -38.0806 -38.0806 -38.0211 -38.0211 -38.0179 -38.0179 -17.1207 -17.1207 -17.1148 -17.1148 -17.0007 -17.0007 -16.6531 -16.6531 -16.6453 -16.6453 -16.5868 -16.5868 -16.5412 -16.5412 -16.3708 -16.3708 -16.3403 -16.3403 -10.2286 -10.2286 -10.2277 -10.2277 -9.1960 -9.1960 -9.1940 -9.1940 -9.1929 -9.1929 2.7574 2.7574 4.8382 4.8382 8.9269 8.9269 9.3954 9.3954 9.9837 9.9837 10.5122 10.5122 10.6119 10.6119 10.9998 10.9998 11.0063 11.0063 11.1655 11.1655 12.6993 12.6993 12.8498 12.8498 13.0953 13.0953 k = 0.1429 0.1429-0.0000 ( 3938 PWs) bands (ev): -38.0815 -38.0815 -38.0205 -38.0205 -38.0176 -38.0176 -17.1216 -17.1216 -17.1162 -17.1162 -16.9998 -16.9998 -16.6530 -16.6530 -16.6460 -16.6460 -16.5868 -16.5868 -16.5423 -16.5423 -16.3669 -16.3669 -16.3400 -16.3400 -10.2287 -10.2287 -10.2279 -10.2279 -9.1960 -9.1960 -9.1942 -9.1942 -9.1932 -9.1932 2.7171 2.7171 4.8285 4.8285 9.0084 9.0084 9.4497 9.4497 9.9969 9.9969 10.5703 10.5703 10.6473 10.6473 10.9516 10.9516 11.0090 11.0090 11.1387 11.1387 12.7191 12.7191 12.8542 12.8542 13.1244 13.1244 k = 0.1327 0.1327-0.0000 ( 3938 PWs) bands (ev): -38.0823 -38.0823 -38.0199 -38.0199 -38.0174 -38.0174 -17.1225 -17.1225 -17.1175 -17.1175 -16.9990 -16.9990 -16.6529 -16.6529 -16.6467 -16.6467 -16.5868 -16.5868 -16.5432 -16.5432 -16.3632 -16.3632 -16.3396 -16.3396 -10.2288 -10.2288 -10.2281 -10.2281 -9.1961 -9.1961 -9.1944 -9.1944 -9.1935 -9.1935 2.6792 2.6792 4.8192 4.8192 9.0907 9.0907 9.5045 9.5045 10.0099 10.0099 10.6248 10.6248 10.6821 10.6821 10.9039 10.9039 11.0028 11.0028 11.1136 11.1136 12.7448 12.7448 12.8674 12.8674 13.1527 13.1527 k = 0.1224 0.1224-0.0000 ( 3942 PWs) bands (ev): -38.0831 -38.0831 -38.0194 -38.0194 -38.0172 -38.0172 -17.1233 -17.1233 -17.1189 -17.1189 -16.9982 -16.9982 -16.6528 -16.6528 -16.6474 -16.6474 -16.5867 -16.5867 -16.5442 -16.5442 -16.3596 -16.3596 -16.3392 -16.3392 -10.2289 -10.2289 -10.2283 -10.2283 -9.1962 -9.1962 -9.1945 -9.1945 -9.1938 -9.1938 2.6439 2.6439 4.8102 4.8102 9.1737 9.1737 9.5596 9.5596 10.0225 10.0225 10.6748 10.6748 10.7159 10.7159 10.8574 10.8574 10.9871 10.9871 11.0901 11.0901 12.7759 12.7759 12.8903 12.8903 13.1804 13.1804 k = 0.1122 0.1122-0.0000 ( 3942 PWs) bands (ev): -38.0838 -38.0838 -38.0189 -38.0189 -38.0170 -38.0170 -17.1241 -17.1241 -17.1202 -17.1202 -16.9976 -16.9976 -16.6527 -16.6527 -16.6481 -16.6481 -16.5865 -16.5865 -16.5450 -16.5450 -16.3562 -16.3562 -16.3389 -16.3389 -10.2290 -10.2290 -10.2285 -10.2285 -9.1963 -9.1963 -9.1947 -9.1947 -9.1940 -9.1940 2.6111 2.6111 4.8016 4.8016 9.2571 9.2571 9.6148 9.6148 10.0348 10.0348 10.7185 10.7185 10.7485 10.7485 10.8135 10.8135 10.9624 10.9624 11.0684 11.0684 12.8118 12.8118 12.9231 12.9231 13.2074 13.2074 k = 0.1020 0.1020-0.0000 ( 3938 PWs) bands (ev): -38.0844 -38.0844 -38.0184 -38.0184 -38.0168 -38.0168 -17.1247 -17.1247 -17.1215 -17.1215 -16.9969 -16.9969 -16.6527 -16.6527 -16.6488 -16.6488 -16.5863 -16.5863 -16.5458 -16.5458 -16.3530 -16.3530 -16.3385 -16.3385 -10.2291 -10.2291 -10.2287 -10.2287 -9.1964 -9.1964 -9.1948 -9.1948 -9.1943 -9.1943 2.5810 2.5810 4.7935 4.7935 9.3408 9.3408 9.6699 9.6699 10.0466 10.0466 10.7403 10.7403 10.7798 10.7798 10.7875 10.7875 10.9291 10.9291 11.0484 11.0484 12.8520 12.8520 12.9656 12.9656 13.2341 13.2341 k = 0.0918 0.0918-0.0000 ( 3932 PWs) bands (ev): -38.0850 -38.0850 -38.0180 -38.0180 -38.0167 -38.0167 -17.1254 -17.1254 -17.1226 -17.1226 -16.9964 -16.9964 -16.6526 -16.6526 -16.6494 -16.6494 -16.5860 -16.5860 -16.5465 -16.5465 -16.3500 -16.3500 -16.3382 -16.3382 -10.2292 -10.2292 -10.2288 -10.2288 -9.1964 -9.1964 -9.1949 -9.1949 -9.1945 -9.1945 2.5535 2.5535 4.7860 4.7860 9.4243 9.4243 9.7249 9.7249 10.0581 10.0581 10.7094 10.7094 10.8092 10.8092 10.8101 10.8101 10.8881 10.8881 11.0302 11.0302 12.8963 12.8963 13.0167 13.0167 13.2603 13.2603 k = 0.0816 0.0816-0.0000 ( 3936 PWs) bands (ev): -38.0856 -38.0856 -38.0176 -38.0176 -38.0165 -38.0165 -17.1259 -17.1259 -17.1237 -17.1237 -16.9959 -16.9959 -16.6526 -16.6526 -16.6501 -16.6501 -16.5858 -16.5858 -16.5471 -16.5471 -16.3473 -16.3473 -16.3379 -16.3379 -10.2293 -10.2293 -10.2290 -10.2290 -9.1965 -9.1965 -9.1950 -9.1950 -9.1947 -9.1947 2.5288 2.5288 4.7790 4.7790 9.5073 9.5073 9.7794 9.7794 10.0692 10.0692 10.6667 10.6667 10.8330 10.8330 10.8402 10.8402 10.8438 10.8438 11.0139 11.0139 12.9444 12.9444 13.0749 13.0749 13.2867 13.2867 k = 0.0714 0.0714-0.0000 ( 3924 PWs) bands (ev): -38.0860 -38.0860 -38.0172 -38.0172 -38.0164 -38.0164 -17.1264 -17.1264 -17.1247 -17.1247 -16.9955 -16.9955 -16.6526 -16.6526 -16.6506 -16.6506 -16.5855 -16.5855 -16.5476 -16.5476 -16.3449 -16.3449 -16.3376 -16.3376 -10.2293 -10.2293 -10.2291 -10.2291 -9.1965 -9.1965 -9.1951 -9.1951 -9.1949 -9.1949 2.5070 2.5070 4.7728 4.7728 9.5891 9.5891 9.8333 9.8333 10.0800 10.0800 10.6232 10.6232 10.7852 10.7852 10.8624 10.8624 10.8678 10.8678 10.9994 10.9994 12.9956 12.9956 13.1383 13.1383 13.3135 13.3135 k = 0.0612 0.0612-0.0000 ( 3914 PWs) bands (ev): -38.0865 -38.0865 -38.0169 -38.0169 -38.0163 -38.0163 -17.1268 -17.1268 -17.1255 -17.1255 -16.9951 -16.9951 -16.6526 -16.6526 -16.6511 -16.6511 -16.5852 -16.5852 -16.5481 -16.5481 -16.3427 -16.3427 -16.3373 -16.3373 -10.2294 -10.2294 -10.2292 -10.2292 -9.1966 -9.1966 -9.1952 -9.1952 -9.1950 -9.1950 2.4879 2.4879 4.7674 4.7674 9.6687 9.6687 9.8864 9.8864 10.0908 10.0908 10.5802 10.5802 10.7265 10.7265 10.8848 10.8848 10.8911 10.8911 10.9868 10.9868 13.0487 13.0487 13.2049 13.2049 13.3413 13.3413 k = 0.0510 0.0510-0.0000 ( 3913 PWs) bands (ev): -38.0868 -38.0868 -38.0166 -38.0166 -38.0162 -38.0162 -17.1272 -17.1272 -17.1263 -17.1263 -16.9948 -16.9948 -16.6526 -16.6526 -16.6515 -16.6515 -16.5850 -16.5850 -16.5485 -16.5485 -16.3409 -16.3409 -16.3371 -16.3371 -10.2294 -10.2294 -10.2293 -10.2293 -9.1966 -9.1966 -9.1953 -9.1953 -9.1951 -9.1951 2.4718 2.4718 4.7626 4.7626 9.7446 9.7446 9.9387 9.9387 10.1019 10.1019 10.5381 10.5381 10.6638 10.6638 10.9045 10.9045 10.9104 10.9104 10.9761 10.9761 13.1016 13.1016 13.2724 13.2724 13.3712 13.3712 k = 0.0408 0.0408-0.0000 ( 3917 PWs) bands (ev): -38.0871 -38.0871 -38.0164 -38.0164 -38.0162 -38.0162 -17.1275 -17.1275 -17.1269 -17.1269 -16.9946 -16.9946 -16.6526 -16.6526 -16.6519 -16.6519 -16.5848 -16.5848 -16.5488 -16.5488 -16.3394 -16.3394 -16.3370 -16.3370 -10.2295 -10.2295 -10.2294 -10.2294 -9.1967 -9.1967 -9.1953 -9.1953 -9.1953 -9.1953 2.4585 2.4585 4.7586 4.7586 9.8140 9.8140 9.9905 9.9905 10.1138 10.1138 10.4979 10.4979 10.5986 10.5986 10.9210 10.9210 10.9257 10.9257 10.9673 10.9673 13.1516 13.1516 13.3382 13.3382 13.4037 13.4037 k = 0.0306 0.0306-0.0000 ( 3913 PWs) bands (ev): -38.0873 -38.0873 -38.0163 -38.0163 -38.0161 -38.0161 -17.1277 -17.1277 -17.1274 -17.1274 -16.9944 -16.9944 -16.6526 -16.6526 -16.6522 -16.6522 -16.5846 -16.5846 -16.5491 -16.5491 -16.3382 -16.3382 -16.3368 -16.3368 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1953 -9.1953 2.4482 2.4482 4.7556 4.7556 9.8730 9.8730 10.0424 10.0424 10.1269 10.1269 10.4608 10.4608 10.5332 10.5332 10.9340 10.9340 10.9375 10.9375 10.9605 10.9605 13.1951 13.1951 13.3992 13.3992 13.4392 13.4392 k = 0.0204 0.0204-0.0000 ( 3907 PWs) bands (ev): -38.0875 -38.0875 -38.0161 -38.0161 -38.0161 -38.0161 -17.1279 -17.1279 -17.1277 -17.1277 -16.9943 -16.9943 -16.6526 -16.6526 -16.6524 -16.6524 -16.5845 -16.5845 -16.5492 -16.5492 -16.3373 -16.3373 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1954 -9.1954 2.4408 2.4408 4.7534 4.7534 9.9171 9.9171 10.0936 10.0936 10.1408 10.1408 10.4292 10.4292 10.4711 10.4711 10.9434 10.9434 10.9457 10.9457 10.9559 10.9559 13.2288 13.2288 13.4528 13.4528 13.4757 13.4757 k = 0.0102 0.0102-0.0000 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0161 -38.0161 -38.0160 -38.0160 -17.1280 -17.1280 -17.1279 -17.1279 -16.9942 -16.9942 -16.6526 -16.6526 -16.6525 -16.6525 -16.5844 -16.5844 -16.5493 -16.5493 -16.3368 -16.3368 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4363 2.4363 4.7520 4.7520 9.9434 9.9434 10.1377 10.1377 10.1525 10.1525 10.4069 10.4069 10.4203 10.4203 10.9489 10.9489 10.9502 10.9502 10.9536 10.9536 13.2502 13.2502 13.4979 13.4979 13.5079 13.5079 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0160 -38.0160 -38.0160 -38.0160 -17.1280 -17.1280 -17.1280 -17.1280 -16.9942 -16.9942 -16.6526 -16.6526 -16.6526 -16.6526 -16.5844 -16.5844 -16.5494 -16.5494 -16.3366 -16.3366 -16.3366 -16.3366 -10.2296 -10.2296 -10.2296 -10.2296 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4349 2.4349 4.7516 4.7516 9.9521 9.9521 10.1573 10.1573 10.1573 10.1573 10.3986 10.3986 10.3986 10.3986 10.9507 10.9507 10.9507 10.9507 10.9538 10.9538 13.2575 13.2575 13.5313 13.5313 13.5314 13.5315 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0160 -38.0160 -38.0160 -38.0160 -17.1280 -17.1280 -17.1280 -17.1280 -16.9942 -16.9942 -16.6526 -16.6526 -16.6526 -16.6526 -16.5844 -16.5844 -16.5494 -16.5494 -16.3366 -16.3366 -16.3366 -16.3366 -10.2296 -10.2296 -10.2296 -10.2296 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4349 2.4349 4.7516 4.7516 9.9521 9.9521 10.1573 10.1573 10.1573 10.1573 10.3986 10.3986 10.3986 10.3986 10.9507 10.9507 10.9507 10.9507 10.9538 10.9538 13.2575 13.2575 13.5313 13.5313 13.5314 13.5314 k = 0.0083 0.0083 0.0083 ( 3911 PWs) bands (ev): -38.0876 -38.0876 -38.0160 -38.0160 -38.0160 -38.0160 -17.1280 -17.1280 -17.1280 -17.1280 -16.9942 -16.9942 -16.6526 -16.6526 -16.6525 -16.6525 -16.5844 -16.5844 -16.5493 -16.5493 -16.3368 -16.3368 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1968 -9.1968 -9.1954 -9.1954 -9.1954 -9.1954 2.4363 2.4363 4.7520 4.7520 9.9435 9.9435 10.1392 10.1392 10.1505 10.1505 10.4117 10.4117 10.4158 10.4158 10.9484 10.9484 10.9508 10.9508 10.9534 10.9534 13.2503 13.2503 13.4973 13.4973 13.5084 13.5085 k = 0.0167 0.0167 0.0167 ( 3908 PWs) bands (ev): -38.0875 -38.0875 -38.0161 -38.0161 -38.0161 -38.0161 -17.1278 -17.1278 -17.1278 -17.1278 -16.9943 -16.9943 -16.6526 -16.6526 -16.6524 -16.6524 -16.5845 -16.5845 -16.5492 -16.5492 -16.3373 -16.3373 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1954 -9.1954 2.4408 2.4408 4.7534 4.7534 9.9187 9.9187 10.0953 10.0953 10.1347 10.1347 10.4460 10.4460 10.4571 10.4571 10.9404 10.9404 10.9512 10.9512 10.9534 10.9534 13.2300 13.2300 13.4522 13.4522 13.4781 13.4781 k = 0.0250 0.0250 0.0250 ( 3911 PWs) bands (ev): -38.0873 -38.0873 -38.0162 -38.0162 -38.0162 -38.0162 -17.1276 -17.1276 -17.1275 -17.1275 -16.9944 -16.9944 -16.6526 -16.6526 -16.6522 -16.6522 -16.5846 -16.5846 -16.5491 -16.5491 -16.3382 -16.3382 -16.3367 -16.3367 -10.2295 -10.2295 -10.2295 -10.2295 -9.1967 -9.1967 -9.1954 -9.1954 -9.1953 -9.1953 2.4482 2.4482 4.7555 4.7555 9.8800 9.8800 10.0390 10.0390 10.1161 10.1161 10.4923 10.4923 10.5088 10.5088 10.9267 10.9267 10.9517 10.9517 10.9537 10.9537 13.2000 13.2000 13.4026 13.4026 13.4410 13.4410 k = 0.0333 0.0333 0.0333 ( 3911 PWs) bands (ev): -38.0871 -38.0871 -38.0163 -38.0163 -38.0163 -38.0163 -17.1273 -17.1273 -17.1271 -17.1271 -16.9946 -16.9946 -16.6526 -16.6526 -16.6519 -16.6519 -16.5848 -16.5848 -16.5488 -16.5488 -16.3395 -16.3395 -16.3368 -16.3368 -10.2295 -10.2295 -10.2294 -10.2294 -9.1967 -9.1967 -9.1953 -9.1953 -9.1952 -9.1952 2.4585 2.4585 4.7587 4.7587 9.8310 9.8310 9.9772 9.9772 10.0972 10.0972 10.5448 10.5448 10.5644 10.5644 10.9076 10.9076 10.9522 10.9522 10.9540 10.9540 13.1643 13.1643 13.3510 13.3510 13.3986 13.3986 k = 0.0417 0.0417 0.0417 ( 3911 PWs) bands (ev): -38.0868 -38.0868 -38.0164 -38.0164 -38.0164 -38.0164 -17.1268 -17.1268 -17.1266 -17.1266 -16.9948 -16.9948 -16.6527 -16.6527 -16.6515 -16.6515 -16.5850 -16.5850 -16.5485 -16.5485 -16.3411 -16.3411 -16.3369 -16.3369 -10.2294 -10.2294 -10.2293 -10.2293 -9.1966 -9.1966 -9.1953 -9.1953 -9.1951 -9.1951 2.4718 2.4718 4.7627 4.7627 9.7752 9.7752 9.9127 9.9127 10.0776 10.0776 10.6000 10.6000 10.6207 10.6207 10.8835 10.8835 10.9526 10.9526 10.9541 10.9541 13.1262 13.1262 13.2994 13.2994 13.3528 13.3529 k = 0.0500 0.0500 0.0500 ( 3914 PWs) bands (ev): -38.0865 -38.0865 -38.0166 -38.0166 -38.0166 -38.0166 -17.1263 -17.1263 -17.1260 -17.1260 -16.9951 -16.9951 -16.6527 -16.6527 -16.6510 -16.6510 -16.5852 -16.5852 -16.5481 -16.5481 -16.3430 -16.3430 -16.3371 -16.3371 -10.2294 -10.2294 -10.2292 -10.2292 -9.1966 -9.1966 -9.1952 -9.1952 -9.1950 -9.1950 2.4880 2.4880 4.7676 4.7676 9.7153 9.7153 9.8468 9.8468 10.0564 10.0564 10.6558 10.6558 10.6763 10.6763 10.8549 10.8549 10.9527 10.9527 10.9537 10.9537 13.0881 13.0881 13.2494 13.2494 13.3057 13.3057 k = 0.0583 0.0583 0.0583 ( 3929 PWs) bands (ev): -38.0860 -38.0860 -38.0168 -38.0168 -38.0168 -38.0168 -17.1258 -17.1258 -17.1253 -17.1253 -16.9955 -16.9955 -16.6528 -16.6528 -16.6504 -16.6504 -16.5855 -16.5855 -16.5477 -16.5477 -16.3452 -16.3452 -16.3372 -16.3372 -10.2293 -10.2293 -10.2291 -10.2291 -9.1966 -9.1966 -9.1951 -9.1951 -9.1949 -9.1949 2.5070 2.5070 4.7733 4.7733 9.6528 9.6528 9.7804 9.7804 10.0328 10.0328 10.7109 10.7109 10.7302 10.7302 10.8223 10.8223 10.9523 10.9523 10.9526 10.9526 13.0519 13.0519 13.2026 13.2026 13.2590 13.2590 k = 0.0667 0.0667 0.0667 ( 3941 PWs) bands (ev): -38.0856 -38.0856 -38.0171 -38.0171 -38.0171 -38.0171 -17.1251 -17.1251 -17.1246 -17.1246 -16.9959 -16.9959 -16.6530 -16.6530 -16.6497 -16.6497 -16.5857 -16.5857 -16.5472 -16.5472 -16.3477 -16.3477 -16.3374 -16.3374 -10.2293 -10.2293 -10.2290 -10.2290 -9.1965 -9.1965 -9.1950 -9.1950 -9.1947 -9.1947 2.5289 2.5289 4.7798 4.7798 9.5892 9.5892 9.7140 9.7140 10.0061 10.0061 10.7632 10.7632 10.7812 10.7812 10.7874 10.7874 10.9508 10.9508 10.9519 10.9519 13.0186 13.0186 13.1602 13.1602 13.2140 13.2140 k = 0.0750 0.0750 0.0750 ( 3941 PWs) bands (ev): -38.0850 -38.0850 -38.0173 -38.0173 -38.0173 -38.0173 -17.1244 -17.1244 -17.1237 -17.1237 -16.9964 -16.9964 -16.6533 -16.6533 -16.6489 -16.6489 -16.5859 -16.5859 -16.5466 -16.5466 -16.3505 -16.3505 -16.3376 -16.3376 -10.2292 -10.2292 -10.2288 -10.2288 -9.1965 -9.1965 -9.1949 -9.1949 -9.1945 -9.1945 2.5536 2.5536 4.7873 4.7873 9.5249 9.5249 9.6478 9.6478 9.9759 9.9759 10.7468 10.7468 10.8153 10.8153 10.8273 10.8273 10.9493 10.9493 10.9530 10.9530 12.9888 12.9888 13.1233 13.1233 13.1721 13.1721 k = 0.0833 0.0833 0.0833 ( 3950 PWs) bands (ev): -38.0844 -38.0844 -38.0176 -38.0176 -38.0176 -38.0176 -17.1236 -17.1236 -17.1228 -17.1228 -16.9969 -16.9969 -16.6536 -16.6536 -16.6479 -16.6479 -16.5861 -16.5861 -16.5461 -16.5461 -16.3535 -16.3535 -16.3378 -16.3378 -10.2292 -10.2292 -10.2287 -10.2287 -9.1964 -9.1964 -9.1948 -9.1948 -9.1943 -9.1943 2.5810 2.5810 4.7954 4.7954 9.4607 9.4607 9.5822 9.5822 9.9416 9.9416 10.7066 10.7066 10.8570 10.8570 10.8630 10.8630 10.9516 10.9516 10.9603 10.9603 12.9627 12.9627 13.0929 13.0929 13.1341 13.1341 k = 0.0917 0.0917 0.0917 ( 3950 PWs) bands (ev): -38.0838 -38.0838 -38.0179 -38.0179 -38.0179 -38.0179 -17.1227 -17.1227 -17.1218 -17.1218 -16.9975 -16.9975 -16.6540 -16.6540 -16.6469 -16.6469 -16.5863 -16.5863 -16.5454 -16.5454 -16.3568 -16.3568 -16.3380 -16.3380 -10.2291 -10.2291 -10.2285 -10.2285 -9.1964 -9.1964 -9.1946 -9.1946 -9.1941 -9.1941 2.6112 2.6112 4.8045 4.8045 9.3969 9.3969 9.5173 9.5173 9.9030 9.9030 10.6654 10.6654 10.8796 10.8796 10.8801 10.8801 10.9682 10.9682 10.9822 10.9822 12.9405 12.9405 13.0693 13.0693 13.1009 13.1009 k = 0.1000 0.1000 0.1000 ( 3950 PWs) bands (ev): -38.0831 -38.0831 -38.0183 -38.0183 -38.0183 -38.0183 -17.1218 -17.1218 -17.1207 -17.1207 -16.9982 -16.9982 -16.6545 -16.6545 -16.6457 -16.6457 -16.5864 -16.5864 -16.5448 -16.5448 -16.3601 -16.3601 -16.3382 -16.3382 -10.2290 -10.2290 -10.2283 -10.2283 -9.1963 -9.1963 -9.1944 -9.1944 -9.1939 -9.1939 2.6440 2.6440 4.8142 4.8142 9.3338 9.3338 9.4534 9.4534 9.8599 9.8599 10.6241 10.6241 10.8776 10.8776 10.8795 10.8795 11.0032 11.0032 11.0177 11.0177 12.9227 12.9227 13.0527 13.0527 13.0730 13.0730 k = 0.1083 0.1083 0.1083 ( 3953 PWs) bands (ev): -38.0823 -38.0823 -38.0187 -38.0187 -38.0187 -38.0187 -17.1209 -17.1209 -17.1196 -17.1196 -16.9990 -16.9990 -16.6551 -16.6551 -16.6445 -16.6445 -16.5864 -16.5864 -16.5441 -16.5441 -16.3636 -16.3636 -16.3384 -16.3384 -10.2289 -10.2289 -10.2281 -10.2281 -9.1962 -9.1962 -9.1942 -9.1942 -9.1936 -9.1936 2.6793 2.6793 4.8247 4.8247 9.2715 9.2715 9.3904 9.3904 9.8123 9.8123 10.5833 10.5833 10.8647 10.8647 10.8655 10.8655 11.0460 11.0460 11.0590 11.0590 12.9093 12.9093 13.0426 13.0426 13.0507 13.0507 k = 0.1167 0.1167 0.1167 ( 3947 PWs) bands (ev): -38.0815 -38.0815 -38.0191 -38.0191 -38.0191 -38.0191 -17.1199 -17.1199 -17.1185 -17.1185 -16.9998 -16.9998 -16.6559 -16.6559 -16.6430 -16.6430 -16.5863 -16.5863 -16.5434 -16.5434 -16.3672 -16.3672 -16.3386 -16.3386 -10.2288 -10.2288 -10.2279 -10.2279 -9.1962 -9.1962 -9.1940 -9.1940 -9.1933 -9.1933 2.7172 2.7172 4.8359 4.8359 9.2104 9.2104 9.3287 9.3287 9.7603 9.7603 10.5437 10.5437 10.8438 10.8438 10.8448 10.8448 11.0909 11.0909 11.1021 11.1021 12.9010 12.9010 13.0343 13.0343 13.0382 13.0382 k = 0.1250 0.1250 0.1250 ( 3935 PWs) bands (ev): -38.0806 -38.0806 -38.0195 -38.0195 -38.0195 -38.0195 -17.1188 -17.1188 -17.1173 -17.1173 -17.0007 -17.0007 -16.6568 -16.6568 -16.6415 -16.6415 -16.5862 -16.5862 -16.5427 -16.5427 -16.3708 -16.3708 -16.3388 -16.3388 -10.2286 -10.2286 -10.2276 -10.2276 -9.1961 -9.1961 -9.1938 -9.1938 -9.1930 -9.1930 2.7575 2.7575 4.8479 4.8479 9.1504 9.1504 9.2682 9.2682 9.7041 9.7041 10.5057 10.5057 10.8163 10.8163 10.8194 10.8194 11.1361 11.1361 11.1455 11.1455 12.8978 12.8978 13.0236 13.0236 13.0386 13.0386 k = 0.1333 0.1333 0.1333 ( 3941 PWs) bands (ev): -38.0797 -38.0797 -38.0199 -38.0199 -38.0199 -38.0199 -17.1178 -17.1178 -17.1162 -17.1162 -17.0017 -17.0017 -16.6579 -16.6579 -16.6398 -16.6398 -16.5860 -16.5860 -16.5421 -16.5421 -16.3745 -16.3745 -16.3390 -16.3390 -10.2285 -10.2285 -10.2274 -10.2274 -9.1960 -9.1960 -9.1936 -9.1936 -9.1928 -9.1928 2.8002 2.8002 4.8604 4.8604 9.0918 9.0918 9.2091 9.2091 9.6441 9.6441 10.4693 10.4693 10.7833 10.7833 10.7889 10.7889 11.1810 11.1810 11.1890 11.1890 12.8997 12.8997 13.0185 13.0185 13.0425 13.0425 k = 0.1417 0.1417 0.1417 ( 3959 PWs) bands (ev): -38.0788 -38.0788 -38.0204 -38.0204 -38.0204 -38.0204 -17.1168 -17.1168 -17.1151 -17.1151 -17.0028 -17.0028 -16.6592 -16.6592 -16.6381 -16.6381 -16.5857 -16.5857 -16.5416 -16.5416 -16.3780 -16.3780 -16.3392 -16.3392 -10.2284 -10.2284 -10.2273 -10.2273 -9.1960 -9.1960 -9.1934 -9.1934 -9.1925 -9.1925 2.8451 2.8451 4.8736 4.8736 9.0347 9.0347 9.1514 9.1514 9.5808 9.5808 10.4346 10.4346 10.7455 10.7455 10.7539 10.7539 11.2257 11.2257 11.2324 11.2324 12.9066 12.9066 13.0187 13.0187 13.0490 13.0490 k = 0.1500 0.1500 0.1500 ( 3959 PWs) bands (ev): -38.0778 -38.0778 -38.0209 -38.0209 -38.0209 -38.0209 -17.1158 -17.1158 -17.1140 -17.1140 -17.0040 -17.0040 -16.6606 -16.6606 -16.6362 -16.6362 -16.5853 -16.5853 -16.5412 -16.5412 -16.3815 -16.3815 -16.3394 -16.3394 -10.2283 -10.2283 -10.2270 -10.2270 -9.1960 -9.1960 -9.1932 -9.1932 -9.1922 -9.1922 2.8921 2.8921 4.8875 4.8875 8.9790 8.9790 9.0952 9.0952 9.5149 9.5149 10.4018 10.4018 10.7033 10.7033 10.7146 10.7146 11.2703 11.2703 11.2759 11.2759 12.9180 12.9180 13.0235 13.0235 13.0567 13.0567 k = 0.1583 0.1583 0.1583 ( 3965 PWs) bands (ev): -38.0767 -38.0767 -38.0214 -38.0214 -38.0214 -38.0214 -17.1148 -17.1148 -17.1130 -17.1130 -17.0052 -17.0052 -16.6621 -16.6621 -16.6342 -16.6342 -16.5848 -16.5848 -16.5409 -16.5409 -16.3847 -16.3847 -16.3395 -16.3395 -10.2282 -10.2282 -10.2269 -10.2269 -9.1959 -9.1959 -9.1930 -9.1930 -9.1919 -9.1919 2.9411 2.9411 4.9019 4.9019 8.9250 8.9250 9.0405 9.0405 9.4468 9.4468 10.3704 10.3704 10.6571 10.6571 10.6715 10.6715 11.3147 11.3147 11.3195 11.3195 12.9333 12.9333 13.0325 13.0325 13.0646 13.0646 k = 0.1667 0.1667 0.1667 ( 3965 PWs) bands (ev): -38.0757 -38.0757 -38.0219 -38.0219 -38.0219 -38.0219 -17.1138 -17.1138 -17.1119 -17.1119 -17.0066 -17.0066 -16.6639 -16.6639 -16.6321 -16.6321 -16.5843 -16.5843 -16.5407 -16.5407 -16.3877 -16.3877 -16.3396 -16.3396 -10.2281 -10.2281 -10.2266 -10.2266 -9.1959 -9.1959 -9.1928 -9.1928 -9.1916 -9.1916 2.9921 2.9921 4.9170 4.9170 8.8726 8.8726 8.9875 8.9875 9.3774 9.3774 10.3404 10.3404 10.6074 10.6074 10.6250 10.6250 11.3593 11.3593 11.3634 11.3634 12.9519 12.9519 13.0449 13.0449 13.0715 13.0715 k = 0.1750 0.1750 0.1750 ( 3965 PWs) bands (ev): -38.0746 -38.0746 -38.0225 -38.0225 -38.0225 -38.0225 -17.1129 -17.1129 -17.1110 -17.1110 -17.0080 -17.0080 -16.6658 -16.6658 -16.6298 -16.6298 -16.5837 -16.5837 -16.5407 -16.5407 -16.3904 -16.3904 -16.3397 -16.3397 -10.2280 -10.2280 -10.2264 -10.2264 -9.1958 -9.1958 -9.1926 -9.1926 -9.1913 -9.1913 3.0447 3.0447 4.9329 4.9329 8.8219 8.8219 8.9361 8.9361 9.3072 9.3072 10.3115 10.3115 10.5547 10.5547 10.5757 10.5757 11.4041 11.4041 11.4076 11.4076 12.9728 12.9728 13.0599 13.0599 13.0765 13.0765 k = 0.1833 0.1833 0.1833 ( 3974 PWs) bands (ev): -38.0734 -38.0734 -38.0231 -38.0231 -38.0231 -38.0231 -17.1120 -17.1120 -17.1101 -17.1101 -17.0096 -17.0096 -16.6678 -16.6678 -16.6274 -16.6274 -16.5830 -16.5830 -16.5410 -16.5410 -16.3927 -16.3927 -16.3397 -16.3397 -10.2279 -10.2279 -10.2263 -10.2263 -9.1958 -9.1958 -9.1924 -9.1924 -9.1911 -9.1911 3.0989 3.0989 4.9494 4.9494 8.7729 8.7729 8.8864 8.8864 9.2366 9.2366 10.2834 10.2834 10.4995 10.4995 10.5238 10.5238 11.4492 11.4492 11.4521 11.4521 12.9950 12.9950 13.0766 13.0766 13.0790 13.0790 k = 0.1917 0.1917 0.1917 ( 3977 PWs) bands (ev): -38.0723 -38.0723 -38.0236 -38.0236 -38.0236 -38.0236 -17.1111 -17.1111 -17.1092 -17.1092 -17.0113 -17.0113 -16.6700 -16.6700 -16.6248 -16.6248 -16.5823 -16.5823 -16.5414 -16.5414 -16.3947 -16.3947 -16.3397 -16.3397 -10.2278 -10.2278 -10.2261 -10.2261 -9.1958 -9.1958 -9.1922 -9.1922 -9.1908 -9.1908 3.1545 3.1545 4.9666 4.9666 8.7256 8.7256 8.8384 8.8384 9.1664 9.1664 10.2558 10.2558 10.4425 10.4425 10.4699 10.4699 11.4945 11.4945 11.4971 11.4971 13.0170 13.0170 13.0793 13.0793 13.0943 13.0943 k = 0.2000 0.2000 0.2000 ( 3977 PWs) bands (ev): -38.0711 -38.0711 -38.0242 -38.0242 -38.0242 -38.0242 -17.1102 -17.1102 -17.1084 -17.1084 -17.0131 -17.0131 -16.6723 -16.6723 -16.6222 -16.6222 -16.5816 -16.5816 -16.5420 -16.5420 -16.3962 -16.3962 -16.3397 -16.3397 -10.2277 -10.2277 -10.2259 -10.2259 -9.1958 -9.1958 -9.1920 -9.1920 -9.1906 -9.1906 3.2112 3.2112 4.9846 4.9846 8.6801 8.6801 8.7921 8.7921 9.0968 9.0968 10.2285 10.2285 10.3842 10.3842 10.4145 10.4145 11.5402 11.5402 11.5424 11.5424 13.0358 13.0358 13.0795 13.0795 13.1118 13.1118 k = 0.2083 0.2083 0.2083 ( 3971 PWs) bands (ev): -38.0699 -38.0699 -38.0248 -38.0248 -38.0248 -38.0248 -17.1094 -17.1094 -17.1078 -17.1078 -17.0149 -17.0149 -16.6747 -16.6747 -16.6194 -16.6194 -16.5810 -16.5810 -16.5428 -16.5428 -16.3972 -16.3972 -16.3395 -16.3395 -10.2276 -10.2276 -10.2257 -10.2257 -9.1958 -9.1958 -9.1918 -9.1918 -9.1903 -9.1903 3.2690 3.2690 5.0035 5.0035 8.6364 8.6364 8.7475 8.7475 9.0283 9.0283 10.2009 10.2009 10.3253 10.3253 10.3580 10.3580 11.5863 11.5863 11.5882 11.5882 13.0446 13.0446 13.0855 13.0855 13.1283 13.1283 k = 0.2167 0.2167 0.2167 ( 3983 PWs) bands (ev): -38.0687 -38.0687 -38.0254 -38.0254 -38.0254 -38.0254 -17.1087 -17.1087 -17.1072 -17.1072 -17.0169 -17.0169 -16.6772 -16.6772 -16.6166 -16.6166 -16.5804 -16.5804 -16.5439 -16.5439 -16.3977 -16.3977 -16.3394 -16.3394 -10.2275 -10.2275 -10.2256 -10.2256 -9.1958 -9.1958 -9.1916 -9.1916 -9.1901 -9.1901 3.3274 3.3274 5.0233 5.0233 8.5944 8.5944 8.7046 8.7046 8.9613 8.9613 10.1721 10.1721 10.2668 10.2668 10.3006 10.3006 11.6326 11.6326 11.6343 11.6343 13.0407 13.0407 13.0992 13.0992 13.1426 13.1426 k = 0.2250 0.2250 0.2250 ( 3983 PWs) bands (ev): -38.0674 -38.0674 -38.0260 -38.0260 -38.0260 -38.0260 -17.1081 -17.1081 -17.1067 -17.1067 -17.0191 -17.0191 -16.6799 -16.6799 -16.6136 -16.6136 -16.5799 -16.5799 -16.5450 -16.5450 -16.3977 -16.3977 -16.3392 -16.3392 -10.2274 -10.2274 -10.2255 -10.2255 -9.1959 -9.1959 -9.1914 -9.1914 -9.1898 -9.1898 3.3863 3.3863 5.0443 5.0443 8.5541 8.5541 8.6634 8.6634 8.8961 8.8961 10.1403 10.1403 10.2110 10.2110 10.2428 10.2428 11.6792 11.6792 11.6808 11.6808 13.0301 13.0301 13.1143 13.1143 13.1539 13.1539 k = 0.2333 0.2333 0.2333 ( 3983 PWs) bands (ev): -38.0662 -38.0662 -38.0266 -38.0266 -38.0266 -38.0266 -17.1075 -17.1075 -17.1063 -17.1063 -17.0213 -17.0213 -16.6825 -16.6825 -16.6105 -16.6105 -16.5795 -16.5795 -16.5463 -16.5463 -16.3972 -16.3972 -16.3389 -16.3389 -10.2273 -10.2273 -10.2254 -10.2254 -9.1959 -9.1959 -9.1912 -9.1912 -9.1896 -9.1896 3.4453 3.4453 5.0665 5.0665 8.5156 8.5156 8.6239 8.6239 8.8329 8.8329 10.1015 10.1015 10.1621 10.1621 10.1850 10.1850 11.7262 11.7262 11.7276 11.7276 13.0161 13.0161 13.1267 13.1267 13.1611 13.1611 k = 0.2417 0.2417 0.2417 ( 3971 PWs) bands (ev): -38.0649 -38.0649 -38.0272 -38.0272 -38.0272 -38.0272 -17.1070 -17.1070 -17.1060 -17.1060 -17.0236 -17.0236 -16.6853 -16.6853 -16.6073 -16.6073 -16.5793 -16.5793 -16.5476 -16.5476 -16.3962 -16.3962 -16.3385 -16.3385 -10.2272 -10.2272 -10.2252 -10.2252 -9.1959 -9.1959 -9.1910 -9.1910 -9.1894 -9.1894 3.5042 3.5042 5.0900 5.0900 8.4787 8.4787 8.5861 8.5861 8.7719 8.7719 10.0525 10.0525 10.1233 10.1233 10.1274 10.1274 11.7732 11.7732 11.7746 11.7746 13.0000 13.0000 13.1349 13.1349 13.1639 13.1639 k = 0.2500 0.2500 0.2500 ( 3977 PWs) bands (ev): -38.0637 -38.0637 -38.0279 -38.0279 -38.0279 -38.0279 -17.1065 -17.1065 -17.1058 -17.1058 -17.0260 -17.0260 -16.6882 -16.6882 -16.6041 -16.6041 -16.5793 -16.5793 -16.5488 -16.5488 -16.3948 -16.3948 -16.3381 -16.3381 -10.2272 -10.2272 -10.2252 -10.2252 -9.1960 -9.1960 -9.1909 -9.1909 -9.1892 -9.1892 3.5626 3.5626 5.1152 5.1152 8.4435 8.4435 8.5500 8.5500 8.7134 8.7134 9.9970 9.9970 10.0702 10.0702 10.0910 10.0910 11.8204 11.8204 11.8216 11.8216 12.9823 12.9823 13.1380 13.1380 13.1616 13.1616 k = 0.2583 0.2583 0.2583 ( 3962 PWs) bands (ev): -38.0624 -38.0624 -38.0285 -38.0285 -38.0285 -38.0285 -17.1061 -17.1061 -17.1057 -17.1057 -17.0285 -17.0285 -16.6910 -16.6910 -16.6008 -16.6008 -16.5796 -16.5796 -16.5498 -16.5498 -16.3929 -16.3929 -16.3377 -16.3377 -10.2271 -10.2271 -10.2250 -10.2250 -9.1961 -9.1961 -9.1907 -9.1907 -9.1890 -9.1890 3.6201 3.6201 5.1422 5.1422 8.4099 8.4099 8.5154 8.5154 8.6577 8.6577 9.9392 9.9392 10.0139 10.0139 10.0614 10.0614 11.8675 11.8675 11.8687 11.8687 12.9635 12.9635 13.1358 13.1358 13.1544 13.1544 k = 0.2667 0.2667 0.2667 ( 3968 PWs) bands (ev): -38.0612 -38.0612 -38.0291 -38.0291 -38.0291 -38.0291 -17.1058 -17.1058 -17.1057 -17.1057 -17.0312 -17.0312 -16.6940 -16.6940 -16.5975 -16.5975 -16.5803 -16.5803 -16.5507 -16.5507 -16.3907 -16.3907 -16.3372 -16.3372 -10.2270 -10.2270 -10.2250 -10.2250 -9.1961 -9.1961 -9.1905 -9.1905 -9.1889 -9.1889 3.6764 3.6764 5.1712 5.1712 8.3779 8.3779 8.4825 8.4825 8.6046 8.6046 9.8808 9.8808 9.9584 9.9584 10.0325 10.0325 11.9145 11.9145 11.9156 11.9156 12.9438 12.9438 13.1282 13.1282 13.1425 13.1425 k = 0.2750 0.2750 0.2750 ( 3968 PWs) bands (ev): -38.0599 -38.0599 -38.0297 -38.0297 -38.0297 -38.0297 -17.1058 -17.1058 -17.1056 -17.1056 -17.0339 -17.0339 -16.6969 -16.6969 -16.5942 -16.5942 -16.5813 -16.5813 -16.5513 -16.5513 -16.3881 -16.3881 -16.3366 -16.3366 -10.2269 -10.2269 -10.2250 -10.2250 -9.1962 -9.1962 -9.1904 -9.1904 -9.1887 -9.1887 3.7311 3.7311 5.2024 5.2024 8.3473 8.3473 8.4510 8.4510 8.5545 8.5545 9.8228 9.8228 9.9041 9.9041 10.0036 10.0036 11.9612 11.9612 11.9622 11.9622 12.9235 12.9235 13.1158 13.1158 13.1264 13.1264 k = 0.2833 0.2833 0.2833 ( 3959 PWs) bands (ev): -38.0587 -38.0587 -38.0303 -38.0303 -38.0303 -38.0303 -17.1060 -17.1060 -17.1055 -17.1055 -17.0366 -17.0366 -16.6999 -16.6999 -16.5908 -16.5908 -16.5826 -16.5826 -16.5515 -16.5515 -16.3852 -16.3852 -16.3359 -16.3359 -10.2269 -10.2269 -10.2249 -10.2249 -9.1963 -9.1963 -9.1902 -9.1902 -9.1886 -9.1886 3.7838 3.7838 5.2362 5.2362 8.3183 8.3183 8.4212 8.4212 8.5073 8.5073 9.7657 9.7657 9.8512 9.8512 9.9743 9.9743 12.0074 12.0074 12.0084 12.0084 12.9027 12.9027 13.0991 13.0991 13.1067 13.1067 k = 0.2917 0.2917 0.2917 ( 3959 PWs) bands (ev): -38.0575 -38.0575 -38.0309 -38.0309 -38.0309 -38.0309 -17.1062 -17.1062 -17.1054 -17.1054 -17.0395 -17.0395 -16.7029 -16.7029 -16.5874 -16.5874 -16.5842 -16.5842 -16.5515 -16.5515 -16.3821 -16.3821 -16.3352 -16.3352 -10.2268 -10.2268 -10.2249 -10.2249 -9.1965 -9.1965 -9.1901 -9.1901 -9.1885 -9.1885 3.8341 3.8341 5.2727 5.2727 8.2906 8.2906 8.3927 8.3927 8.4631 8.4631 9.7097 9.7097 9.7996 9.7996 9.9444 9.9444 12.0531 12.0531 12.0540 12.0540 12.8815 12.8815 13.0787 13.0787 13.0838 13.0838 k = 0.3000 0.3000 0.3000 ( 3965 PWs) bands (ev): -38.0563 -38.0563 -38.0315 -38.0315 -38.0315 -38.0315 -17.1066 -17.1066 -17.1055 -17.1055 -17.0424 -17.0424 -16.7059 -16.7059 -16.5860 -16.5860 -16.5841 -16.5841 -16.5513 -16.5513 -16.3788 -16.3788 -16.3345 -16.3345 -10.2268 -10.2268 -10.2250 -10.2250 -9.1966 -9.1966 -9.1900 -9.1900 -9.1884 -9.1884 3.8818 3.8818 5.3121 5.3121 8.2642 8.2642 8.3657 8.3657 8.4221 8.4221 9.6551 9.6551 9.7498 9.7498 9.9136 9.9136 12.0980 12.0980 12.0988 12.0988 12.8599 12.8599 13.0551 13.0551 13.0583 13.0583 k = 0.3083 0.3083 0.3083 ( 3965 PWs) bands (ev): -38.0551 -38.0551 -38.0321 -38.0321 -38.0321 -38.0321 -17.1070 -17.1070 -17.1056 -17.1056 -17.0453 -17.0453 -16.7089 -16.7089 -16.5880 -16.5880 -16.5808 -16.5808 -16.5509 -16.5509 -16.3753 -16.3753 -16.3337 -16.3337 -10.2268 -10.2268 -10.2250 -10.2250 -9.1967 -9.1967 -9.1899 -9.1899 -9.1884 -9.1884 3.9264 3.9264 5.3546 5.3546 8.2392 8.2392 8.3401 8.3401 8.3841 8.3841 9.6020 9.6020 9.7016 9.7016 9.8820 9.8820 12.1421 12.1421 12.1428 12.1428 12.8383 12.8383 13.0290 13.0290 13.0307 13.0307 k = 0.3167 0.3167 0.3167 ( 3962 PWs) bands (ev): -38.0539 -38.0539 -38.0326 -38.0326 -38.0326 -38.0326 -17.1075 -17.1075 -17.1058 -17.1058 -17.0482 -17.0482 -16.7118 -16.7118 -16.5901 -16.5901 -16.5775 -16.5775 -16.5503 -16.5503 -16.3717 -16.3717 -16.3328 -16.3328 -10.2267 -10.2267 -10.2251 -10.2251 -9.1969 -9.1969 -9.1898 -9.1898 -9.1883 -9.1883 3.9677 3.9677 5.4003 5.4003 8.2155 8.2155 8.3159 8.3159 8.3492 8.3492 9.5506 9.5506 9.6554 9.6554 9.8494 9.8494 12.1850 12.1850 12.1856 12.1856 12.8165 12.8165 13.0010 13.0010 13.0015 13.0015 k = 0.3250 0.3250 0.3250 ( 3959 PWs) bands (ev): -38.0528 -38.0528 -38.0332 -38.0332 -38.0332 -38.0332 -17.1080 -17.1080 -17.1060 -17.1060 -17.0512 -17.0512 -16.7147 -16.7147 -16.5921 -16.5921 -16.5743 -16.5743 -16.5496 -16.5496 -16.3680 -16.3680 -16.3319 -16.3319 -10.2267 -10.2267 -10.2251 -10.2251 -9.1970 -9.1970 -9.1897 -9.1897 -9.1882 -9.1882 4.0057 4.0057 5.4490 5.4490 8.1931 8.1931 8.2929 8.2929 8.3172 8.3172 9.5009 9.5009 9.6112 9.6112 9.8157 9.8157 12.2267 12.2267 12.2272 12.2272 12.7947 12.7947 12.9711 12.9711 12.9714 12.9714 k = 0.3333 0.3333 0.3333 ( 3972 PWs) bands (ev): -38.0517 -38.0517 -38.0337 -38.0337 -38.0337 -38.0337 -17.1086 -17.1086 -17.1064 -17.1064 -17.0542 -17.0542 -16.7176 -16.7176 -16.5942 -16.5942 -16.5712 -16.5712 -16.5489 -16.5489 -16.3643 -16.3643 -16.3310 -16.3310 -10.2267 -10.2267 -10.2252 -10.2252 -9.1972 -9.1972 -9.1896 -9.1896 -9.1883 -9.1883 4.0402 4.0402 5.5009 5.5009 8.1721 8.1721 8.2711 8.2711 8.2880 8.2880 9.4531 9.4531 9.5689 9.5689 9.7810 9.7810 12.2670 12.2670 12.2673 12.2673 12.7730 12.7730 12.9397 12.9397 12.9406 12.9406 k = 0.3417 0.3417 0.3417 ( 3972 PWs) bands (ev): -38.0506 -38.0506 -38.0343 -38.0343 -38.0343 -38.0343 -17.1093 -17.1093 -17.1068 -17.1068 -17.0570 -17.0570 -16.7204 -16.7204 -16.5963 -16.5963 -16.5681 -16.5681 -16.5480 -16.5480 -16.3605 -16.3605 -16.3300 -16.3300 -10.2267 -10.2267 -10.2253 -10.2253 -9.1974 -9.1974 -9.1895 -9.1895 -9.1883 -9.1883 4.0711 4.0711 5.5556 5.5556 8.1524 8.1524 8.2506 8.2506 8.2615 8.2615 9.4072 9.4072 9.5288 9.5288 9.7451 9.7451 12.3056 12.3056 12.3058 12.3058 12.7513 12.7513 12.9078 12.9078 12.9093 12.9093 k = 0.3500 0.3500 0.3500 ( 3978 PWs) bands (ev): -38.0496 -38.0496 -38.0348 -38.0348 -38.0348 -38.0348 -17.1099 -17.1099 -17.1073 -17.1073 -17.0599 -17.0599 -16.7232 -16.7232 -16.5983 -16.5983 -16.5652 -16.5652 -16.5472 -16.5472 -16.3567 -16.3567 -16.3290 -16.3290 -10.2267 -10.2267 -10.2254 -10.2254 -9.1976 -9.1976 -9.1895 -9.1895 -9.1883 -9.1883 4.0987 4.0987 5.6129 5.6129 8.1342 8.1342 8.2312 8.2312 8.2375 8.2375 9.3632 9.3632 9.4908 9.4908 9.7083 9.7083 12.3424 12.3424 12.3425 12.3425 12.7298 12.7298 12.8757 12.8757 12.8777 12.8777 k = 0.3583 0.3583 0.3583 ( 3978 PWs) bands (ev): -38.0486 -38.0486 -38.0353 -38.0353 -38.0353 -38.0353 -17.1107 -17.1107 -17.1079 -17.1079 -17.0626 -17.0626 -16.7258 -16.7258 -16.6002 -16.6002 -16.5623 -16.5623 -16.5463 -16.5463 -16.3530 -16.3530 -16.3280 -16.3280 -10.2267 -10.2267 -10.2255 -10.2255 -9.1978 -9.1978 -9.1894 -9.1894 -9.1883 -9.1883 4.1230 4.1230 5.6725 5.6725 8.1175 8.1175 8.2130 8.2130 8.2158 8.2158 9.3213 9.3213 9.4551 9.4551 9.6704 9.6704 12.3772 12.3772 12.3773 12.3773 12.7085 12.7085 12.8438 12.8438 12.8461 12.8461 k = 0.3667 0.3667 0.3667 ( 3972 PWs) bands (ev): -38.0476 -38.0476 -38.0357 -38.0357 -38.0357 -38.0357 -17.1114 -17.1114 -17.1085 -17.1085 -17.0652 -17.0652 -16.7284 -16.7284 -16.6019 -16.6019 -16.5595 -16.5595 -16.5454 -16.5454 -16.3493 -16.3493 -16.3269 -16.3269 -10.2267 -10.2267 -10.2256 -10.2256 -9.1980 -9.1980 -9.1893 -9.1893 -9.1883 -9.1883 4.1441 4.1441 5.7339 5.7339 8.1026 8.1026 8.1958 8.1958 8.1963 8.1963 9.2814 9.2814 9.4216 9.4216 9.6316 9.6316 12.4098 12.4098 12.4099 12.4099 12.6876 12.6876 12.8123 12.8123 12.8149 12.8149 k = 0.3750 0.3750 0.3750 ( 3972 PWs) bands (ev): -38.0467 -38.0467 -38.0362 -38.0362 -38.0362 -38.0362 -17.1121 -17.1121 -17.1092 -17.1092 -17.0678 -17.0678 -16.7308 -16.7308 -16.6036 -16.6036 -16.5569 -16.5569 -16.5445 -16.5445 -16.3457 -16.3457 -16.3259 -16.3259 -10.2267 -10.2267 -10.2257 -10.2257 -9.1982 -9.1982 -9.1892 -9.1892 -9.1883 -9.1883 4.1624 4.1624 5.7965 5.7965 8.0893 8.0893 8.1786 8.1786 8.1798 8.1798 9.2435 9.2435 9.3904 9.3904 9.5921 9.5921 12.4400 12.4400 12.4402 12.4402 12.6671 12.6671 12.7814 12.7814 12.7844 12.7844 k = 0.3833 0.3833 0.3833 ( 3975 PWs) bands (ev): -38.0458 -38.0458 -38.0366 -38.0366 -38.0366 -38.0366 -17.1128 -17.1128 -17.1100 -17.1100 -17.0702 -17.0702 -16.7332 -16.7332 -16.6052 -16.6052 -16.5545 -16.5545 -16.5437 -16.5437 -16.3423 -16.3423 -16.3248 -16.3248 -10.2267 -10.2267 -10.2259 -10.2259 -9.1984 -9.1984 -9.1892 -9.1892 -9.1884 -9.1884 4.1780 4.1780 5.8600 5.8600 8.0779 8.0779 8.1627 8.1627 8.1647 8.1647 9.2076 9.2076 9.3613 9.3613 9.5520 9.5520 12.4676 12.4676 12.4678 12.4678 12.6471 12.6471 12.7517 12.7517 12.7551 12.7551 k = 0.3917 0.3917 0.3917 ( 3975 PWs) bands (ev): -38.0450 -38.0450 -38.0370 -38.0370 -38.0370 -38.0370 -17.1135 -17.1135 -17.1108 -17.1108 -17.0724 -17.0724 -16.7354 -16.7354 -16.6066 -16.6066 -16.5521 -16.5521 -16.5428 -16.5428 -16.3390 -16.3390 -16.3238 -16.3238 -10.2267 -10.2267 -10.2260 -10.2260 -9.1986 -9.1986 -9.1891 -9.1891 -9.1884 -9.1884 4.1912 4.1912 5.9237 5.9237 8.0683 8.0683 8.1484 8.1484 8.1507 8.1507 9.1736 9.1736 9.3346 9.3346 9.5118 9.5118 12.4925 12.4925 12.4926 12.4926 12.6277 12.6277 12.7235 12.7235 12.7274 12.7274 k = 0.4000 0.4000 0.4000 ( 3975 PWs) bands (ev): -38.0442 -38.0442 -38.0374 -38.0374 -38.0374 -38.0374 -17.1142 -17.1142 -17.1116 -17.1116 -17.0745 -17.0745 -16.7375 -16.7375 -16.6079 -16.6079 -16.5499 -16.5499 -16.5420 -16.5420 -16.3358 -16.3358 -16.3228 -16.3228 -10.2267 -10.2267 -10.2261 -10.2261 -9.1987 -9.1987 -9.1891 -9.1891 -9.1884 -9.1884 4.2023 4.2023 5.9868 5.9868 8.0605 8.0605 8.1354 8.1354 8.1377 8.1377 9.1414 9.1414 9.3101 9.3101 9.4715 9.4715 12.5139 12.5139 12.5142 12.5142 12.6091 12.6091 12.6974 12.6974 12.7021 12.7021 k = 0.4083 0.4083 0.4083 ( 3975 PWs) bands (ev): -38.0435 -38.0435 -38.0377 -38.0377 -38.0377 -38.0377 -17.1149 -17.1149 -17.1125 -17.1125 -17.0764 -17.0764 -16.7394 -16.7394 -16.6091 -16.6091 -16.5479 -16.5479 -16.5413 -16.5413 -16.3329 -16.3329 -16.3219 -16.3219 -10.2267 -10.2267 -10.2262 -10.2262 -9.1989 -9.1989 -9.1890 -9.1890 -9.1885 -9.1885 4.2115 4.2115 6.0488 6.0488 8.0545 8.0545 8.1238 8.1238 8.1256 8.1256 9.1111 9.1111 9.2877 9.2877 9.4317 9.4317 12.5310 12.5310 12.5320 12.5320 12.5913 12.5913 12.6743 12.6743 12.6801 12.6801 k = 0.4167 0.4167 0.4167 ( 3969 PWs) bands (ev): -38.0429 -38.0429 -38.0381 -38.0381 -38.0381 -38.0381 -17.1155 -17.1155 -17.1133 -17.1133 -17.0781 -17.0781 -16.7412 -16.7412 -16.6101 -16.6101 -16.5460 -16.5460 -16.5406 -16.5406 -16.3301 -16.3301 -16.3209 -16.3209 -10.2268 -10.2268 -10.2263 -10.2263 -9.1991 -9.1991 -9.1890 -9.1890 -9.1885 -9.1885 4.2190 4.2190 6.1088 6.1088 8.0504 8.0504 8.1134 8.1134 8.1147 8.1147 9.0824 9.0824 9.2676 9.2676 9.3929 9.3929 12.5427 12.5427 12.5447 12.5447 12.5746 12.5746 12.6557 12.6557 12.6629 12.6629 k = 0.4250 0.4250 0.4250 ( 3957 PWs) bands (ev): -38.0423 -38.0423 -38.0383 -38.0383 -38.0383 -38.0383 -17.1161 -17.1161 -17.1142 -17.1142 -17.0797 -17.0797 -16.7428 -16.7428 -16.6111 -16.6111 -16.5443 -16.5443 -16.5399 -16.5399 -16.3275 -16.3275 -16.3201 -16.3201 -10.2268 -10.2268 -10.2264 -10.2264 -9.1992 -9.1992 -9.1889 -9.1889 -9.1885 -9.1885 4.2252 4.2252 6.1663 6.1663 8.0480 8.0480 8.1042 8.1042 8.1047 8.1047 9.0554 9.0554 9.2495 9.2495 9.3557 9.3557 12.5472 12.5472 12.5503 12.5503 12.5589 12.5589 12.6437 12.6437 12.6523 12.6523 k = 0.4333 0.4333 0.4333 ( 3957 PWs) bands (ev): -38.0417 -38.0417 -38.0386 -38.0386 -38.0386 -38.0386 -17.1166 -17.1166 -17.1150 -17.1150 -17.0810 -17.0810 -16.7443 -16.7443 -16.6119 -16.6119 -16.5428 -16.5428 -16.5393 -16.5393 -16.3252 -16.3252 -16.3193 -16.3193 -10.2268 -10.2268 -10.2265 -10.2265 -9.1993 -9.1993 -9.1889 -9.1889 -9.1886 -9.1886 4.2302 4.2302 6.2204 6.2204 8.0471 8.0471 8.0957 8.0957 8.0960 8.0960 9.0300 9.0300 9.2335 9.2335 9.3207 9.3207 12.5440 12.5440 12.5448 12.5448 12.5478 12.5478 12.6396 12.6396 12.6490 12.6490 k = 0.4417 0.4417 0.4417 ( 3960 PWs) bands (ev): -38.0412 -38.0412 -38.0388 -38.0388 -38.0388 -38.0388 -17.1171 -17.1171 -17.1158 -17.1158 -17.0822 -17.0822 -16.7456 -16.7456 -16.6127 -16.6127 -16.5414 -16.5414 -16.5388 -16.5388 -16.3231 -16.3231 -16.3186 -16.3186 -10.2268 -10.2268 -10.2266 -10.2266 -9.1995 -9.1995 -9.1889 -9.1889 -9.1886 -9.1886 4.2341 4.2341 6.2703 6.2703 8.0476 8.0476 8.0878 8.0878 8.0888 8.0888 9.0061 9.0061 9.2196 9.2196 9.2882 9.2882 12.5313 12.5314 12.5360 12.5360 12.5392 12.5392 12.6417 12.6417 12.6511 12.6512 k = 0.4500 0.4500 0.4500 ( 3960 PWs) bands (ev): -38.0408 -38.0408 -38.0391 -38.0391 -38.0391 -38.0391 -17.1176 -17.1176 -17.1165 -17.1165 -17.0833 -17.0833 -16.7468 -16.7468 -16.6133 -16.6133 -16.5403 -16.5403 -16.5383 -16.5383 -16.3212 -16.3212 -16.3179 -16.3179 -10.2268 -10.2268 -10.2266 -10.2266 -9.1996 -9.1996 -9.1888 -9.1888 -9.1887 -9.1887 4.2372 4.2372 6.3155 6.3155 8.0492 8.0492 8.0808 8.0808 8.0827 8.0827 8.9839 8.9839 9.2076 9.2076 9.2591 9.2591 12.5197 12.5197 12.5254 12.5254 12.5280 12.5280 12.6468 12.6468 12.6558 12.6558 k = 0.4583 0.4583 0.4583 ( 3960 PWs) bands (ev): -38.0404 -38.0404 -38.0392 -38.0392 -38.0392 -38.0392 -17.1179 -17.1179 -17.1172 -17.1172 -17.0841 -17.0841 -16.7478 -16.7478 -16.6138 -16.6138 -16.5393 -16.5393 -16.5379 -16.5379 -16.3197 -16.3197 -16.3173 -16.3173 -10.2268 -10.2268 -10.2267 -10.2267 -9.1997 -9.1997 -9.1888 -9.1888 -9.1887 -9.1887 4.2396 4.2396 6.3551 6.3551 8.0516 8.0516 8.0749 8.0749 8.0775 8.0775 8.9638 8.9638 9.1975 9.1975 9.2338 9.2338 12.5096 12.5096 12.5145 12.5145 12.5167 12.5167 12.6524 12.6524 12.6611 12.6611 k = 0.4667 0.4667 0.4667 ( 3960 PWs) bands (ev): -38.0402 -38.0402 -38.0394 -38.0394 -38.0394 -38.0394 -17.1183 -17.1183 -17.1178 -17.1178 -17.0848 -17.0848 -16.7486 -16.7486 -16.6142 -16.6142 -16.5384 -16.5384 -16.5376 -16.5376 -16.3184 -16.3184 -16.3169 -16.3169 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2413 4.2413 6.3885 6.3885 8.0543 8.0543 8.0701 8.0701 8.0733 8.0733 8.9460 8.9460 9.1894 9.1894 9.2128 9.2128 12.5012 12.5012 12.5048 12.5048 12.5065 12.5065 12.6577 12.6577 12.6656 12.6656 k = 0.4750 0.4750 0.4750 ( 3954 PWs) bands (ev): -38.0399 -38.0399 -38.0395 -38.0395 -38.0395 -38.0395 -17.1185 -17.1185 -17.1182 -17.1182 -17.0853 -17.0853 -16.7492 -16.7492 -16.6146 -16.6146 -16.5378 -16.5378 -16.5373 -16.5373 -16.3174 -16.3174 -16.3165 -16.3165 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1888 -9.1888 4.2426 4.2426 6.4151 6.4151 8.0571 8.0571 8.0664 8.0664 8.0701 8.0701 8.9313 8.9313 9.1830 9.1830 9.1963 9.1963 12.4945 12.4945 12.4969 12.4969 12.4982 12.4982 12.6621 12.6621 12.6686 12.6687 k = 0.4833 0.4833 0.4833 ( 3933 PWs) bands (ev): -38.0398 -38.0398 -38.0396 -38.0396 -38.0396 -38.0396 -17.1186 -17.1186 -17.1185 -17.1185 -17.0857 -17.0857 -16.7496 -16.7496 -16.6148 -16.6148 -16.5373 -16.5373 -16.5370 -16.5370 -16.3166 -16.3166 -16.3162 -16.3162 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2436 4.2436 6.4345 6.4345 8.0596 8.0596 8.0638 8.0638 8.0679 8.0679 8.9202 8.9202 9.1786 9.1786 9.1845 9.1845 12.4894 12.4894 12.4913 12.4913 12.4921 12.4921 12.6653 12.6654 12.6694 12.6695 k = 0.4917 0.4917 0.4917 ( 3912 PWs) bands (ev): -38.0397 -38.0397 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0859 -17.0859 -16.7499 -16.7499 -16.6149 -16.6149 -16.5370 -16.5370 -16.5369 -16.5369 -16.3161 -16.3161 -16.3160 -16.3160 -10.2267 -10.2267 -10.2267 -10.2267 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2441 4.2441 6.4463 6.4463 8.0612 8.0612 8.0623 8.0623 8.0668 8.0668 8.9133 8.9133 9.1759 9.1759 9.1774 9.1774 12.4862 12.4862 12.4881 12.4881 12.4883 12.4883 12.6674 12.6677 12.6686 12.6689 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0860 -17.0860 -16.7499 -16.7499 -16.6149 -16.6149 -16.5369 -16.5369 -16.5369 -16.5369 -16.3159 -16.3159 -16.3159 -16.3159 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2443 4.2443 6.4502 6.4502 8.0617 8.0617 8.0617 8.0617 8.0664 8.0664 8.9110 8.9110 9.1750 9.1750 9.1750 9.1750 12.4850 12.4850 12.4870 12.4870 12.4870 12.4870 12.6680 12.6680 12.6680 12.6681 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0860 -17.0860 -16.7499 -16.7499 -16.6149 -16.6149 -16.5369 -16.5369 -16.5369 -16.5369 -16.3159 -16.3159 -16.3159 -16.3159 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2443 4.2443 6.4502 6.4502 8.0617 8.0617 8.0617 8.0617 8.0664 8.0664 8.9110 8.9110 9.1750 9.1750 9.1750 9.1750 12.4850 12.4850 12.4870 12.4870 12.4870 12.4870 12.6680 12.6680 12.6680 12.6681 k = 0.4898 0.5000 0.4898 ( 3912 PWs) bands (ev): -38.0397 -38.0397 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0859 -17.0859 -16.7499 -16.7499 -16.6149 -16.6149 -16.5370 -16.5370 -16.5369 -16.5369 -16.3161 -16.3161 -16.3160 -16.3160 -10.2267 -10.2267 -10.2267 -10.2267 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2441 4.2441 6.4463 6.4463 8.0599 8.0599 8.0631 8.0631 8.0672 8.0672 8.9133 8.9133 9.1760 9.1760 9.1773 9.1773 12.4862 12.4862 12.4881 12.4881 12.4883 12.4883 12.6674 12.6674 12.6685 12.6686 k = 0.4796 0.5000 0.4796 ( 3940 PWs) bands (ev): -38.0397 -38.0397 -38.0396 -38.0396 -38.0395 -38.0395 -17.1187 -17.1187 -17.1185 -17.1185 -17.0857 -17.0857 -16.7496 -16.7496 -16.6148 -16.6148 -16.5373 -16.5373 -16.5371 -16.5371 -16.3166 -16.3166 -16.3161 -16.3161 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2435 4.2435 6.4345 6.4345 8.0530 8.0530 8.0666 8.0666 8.0716 8.0716 8.9202 8.9202 9.1790 9.1790 9.1841 9.1841 12.4894 12.4894 12.4913 12.4913 12.4920 12.4920 12.6654 12.6654 12.6693 12.6694 k = 0.4694 0.5000 0.4694 ( 3946 PWs) bands (ev): -38.0399 -38.0399 -38.0396 -38.0396 -38.0394 -38.0394 -17.1185 -17.1185 -17.1182 -17.1182 -17.0853 -17.0853 -16.7492 -16.7492 -16.6146 -16.6146 -16.5378 -16.5378 -16.5372 -16.5372 -16.3174 -16.3174 -16.3164 -16.3164 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2427 4.2427 6.4153 6.4153 8.0416 8.0416 8.0716 8.0716 8.0804 8.0804 8.9314 8.9314 9.1841 9.1841 9.1952 9.1952 12.4944 12.4944 12.4970 12.4970 12.4982 12.4982 12.6623 12.6623 12.6688 12.6688 k = 0.4592 0.5000 0.4592 ( 3950 PWs) bands (ev): -38.0400 -38.0400 -38.0396 -38.0396 -38.0392 -38.0392 -17.1183 -17.1183 -17.1177 -17.1177 -17.0848 -17.0848 -16.7486 -16.7486 -16.6142 -16.6142 -16.5385 -16.5385 -16.5375 -16.5375 -16.3186 -16.3186 -16.3166 -16.3166 -10.2268 -10.2268 -10.2267 -10.2267 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2414 4.2414 6.3890 6.3890 8.0264 8.0264 8.0777 8.0777 8.0933 8.0933 8.9461 8.9461 9.1914 9.1914 9.2106 9.2106 12.5008 12.5008 12.5051 12.5051 12.5068 12.5068 12.6579 12.6579 12.6661 12.6661 k = 0.4490 0.5000 0.4490 ( 3950 PWs) bands (ev): -38.0402 -38.0402 -38.0396 -38.0396 -38.0390 -38.0390 -17.1180 -17.1180 -17.1171 -17.1171 -17.0841 -17.0841 -16.7478 -16.7478 -16.6138 -16.6138 -16.5393 -16.5393 -16.5378 -16.5378 -16.3200 -16.3200 -16.3170 -16.3170 -10.2268 -10.2268 -10.2267 -10.2267 -9.1997 -9.1997 -9.1888 -9.1888 -9.1886 -9.1886 4.2398 4.2398 6.3562 6.3562 8.0083 8.0083 8.0847 8.0847 8.1099 8.1099 8.9638 8.9638 9.2014 9.2014 9.2298 9.2298 12.5083 12.5083 12.5152 12.5152 12.5177 12.5177 12.6525 12.6525 12.6616 12.6616 k = 0.4388 0.5000 0.4388 ( 3950 PWs) bands (ev): -38.0405 -38.0405 -38.0396 -38.0396 -38.0388 -38.0388 -17.1177 -17.1177 -17.1163 -17.1163 -17.0833 -17.0833 -16.7468 -16.7468 -16.6133 -16.6133 -16.5404 -16.5404 -16.5382 -16.5382 -16.3216 -16.3216 -16.3175 -16.3175 -10.2268 -10.2268 -10.2266 -10.2266 -9.1996 -9.1996 -9.1889 -9.1889 -9.1886 -9.1886 4.2376 4.2376 6.3176 6.3176 7.9881 7.9881 8.0922 8.0922 8.1303 8.1303 8.9835 8.9835 9.2141 9.2141 9.2526 9.2526 12.5166 12.5166 12.5271 12.5271 12.5310 12.5310 12.6463 12.6463 12.6558 12.6558 k = 0.4286 0.5000 0.4286 ( 3958 PWs) bands (ev): -38.0408 -38.0408 -38.0396 -38.0396 -38.0385 -38.0385 -17.1173 -17.1173 -17.1155 -17.1155 -17.0823 -17.0823 -16.7456 -16.7456 -16.6127 -16.6127 -16.5416 -16.5416 -16.5386 -16.5386 -16.3236 -16.3236 -16.3180 -16.3180 -10.2268 -10.2268 -10.2266 -10.2266 -9.1995 -9.1995 -9.1889 -9.1889 -9.1886 -9.1886 4.2348 4.2348 6.2738 6.2738 7.9667 7.9667 8.0996 8.0996 8.1542 8.1542 9.0044 9.0044 9.2301 9.2301 9.2786 9.2786 12.5246 12.5246 12.5403 12.5403 12.5464 12.5464 12.6396 12.6396 12.6492 12.6492 k = 0.4184 0.5000 0.4184 ( 3950 PWs) bands (ev): -38.0412 -38.0412 -38.0397 -38.0397 -38.0381 -38.0381 -17.1168 -17.1168 -17.1146 -17.1146 -17.0811 -17.0811 -16.7443 -16.7443 -16.6119 -16.6119 -16.5429 -16.5429 -16.5391 -16.5391 -16.3259 -16.3259 -16.3186 -16.3186 -10.2268 -10.2268 -10.2265 -10.2265 -9.1993 -9.1993 -9.1889 -9.1889 -9.1885 -9.1885 4.2314 4.2314 6.2256 6.2256 7.9448 7.9448 8.1066 8.1066 8.1818 8.1818 9.0257 9.0257 9.2496 9.2496 9.3074 9.3074 12.5312 12.5312 12.5546 12.5546 12.5638 12.5638 12.6324 12.6324 12.6433 12.6433 k = 0.4082 0.5000 0.4082 ( 3962 PWs) bands (ev): -38.0416 -38.0416 -38.0397 -38.0397 -38.0377 -38.0377 -17.1164 -17.1164 -17.1137 -17.1137 -17.0799 -17.0799 -16.7428 -16.7428 -16.6111 -16.6111 -16.5445 -16.5445 -16.5397 -16.5397 -16.3284 -16.3284 -16.3193 -16.3193 -10.2267 -10.2267 -10.2264 -10.2264 -9.1992 -9.1992 -9.1890 -9.1890 -9.1885 -9.1885 4.2272 4.2272 6.1735 6.1735 7.9232 7.9232 8.1129 8.1129 8.2128 8.2128 9.0468 9.0468 9.2728 9.2728 9.3384 9.3384 12.5342 12.5342 12.5695 12.5695 12.5829 12.5829 12.6233 12.6233 12.6408 12.6408 k = 0.3980 0.5000 0.3980 ( 3966 PWs) bands (ev): -38.0420 -38.0420 -38.0397 -38.0397 -38.0373 -38.0373 -17.1159 -17.1159 -17.1126 -17.1126 -17.0784 -17.0784 -16.7412 -16.7412 -16.6102 -16.6102 -16.5462 -16.5462 -16.5403 -16.5403 -16.3311 -16.3311 -16.3200 -16.3200 -10.2267 -10.2267 -10.2263 -10.2263 -9.1991 -9.1991 -9.1890 -9.1890 -9.1885 -9.1885 4.2222 4.2222 6.1182 6.1182 7.9025 7.9025 8.1184 8.1184 8.2473 8.2473 9.0671 9.0671 9.2998 9.2998 9.3717 9.3717 12.5321 12.5321 12.5847 12.5847 12.6017 12.6017 12.6138 12.6138 12.6438 12.6438 k = 0.3878 0.5000 0.3878 ( 3978 PWs) bands (ev): -38.0425 -38.0425 -38.0397 -38.0397 -38.0368 -38.0368 -17.1153 -17.1153 -17.1115 -17.1115 -17.0769 -17.0769 -16.7394 -16.7394 -16.6092 -16.6092 -16.5480 -16.5480 -16.5410 -16.5410 -16.3341 -16.3341 -16.3208 -16.3208 -10.2267 -10.2267 -10.2263 -10.2263 -9.1989 -9.1989 -9.1891 -9.1891 -9.1884 -9.1884 4.2163 4.2163 6.0603 6.0603 7.8835 7.8835 8.1227 8.1227 8.2851 8.2851 9.0866 9.0866 9.3303 9.3303 9.4065 9.4065 12.5245 12.5245 12.5955 12.5955 12.6000 12.6000 12.6285 12.6285 12.6521 12.6521 k = 0.3776 0.5000 0.3776 ( 3974 PWs) bands (ev): -38.0430 -38.0430 -38.0397 -38.0397 -38.0363 -38.0363 -17.1148 -17.1148 -17.1104 -17.1104 -17.0751 -17.0751 -16.7374 -16.7374 -16.6081 -16.6081 -16.5500 -16.5500 -16.5417 -16.5417 -16.3372 -16.3372 -16.3217 -16.3217 -10.2267 -10.2267 -10.2262 -10.2262 -9.1987 -9.1987 -9.1891 -9.1891 -9.1884 -9.1884 4.2094 4.2094 6.0003 6.0003 7.8667 7.8667 8.1260 8.1260 8.3263 8.3263 9.1053 9.1053 9.3640 9.3640 9.4429 9.4429 12.5122 12.5122 12.5797 12.5797 12.6148 12.6148 12.6523 12.6523 12.6643 12.6643 k = 0.3673 0.5000 0.3673 ( 3974 PWs) bands (ev): -38.0436 -38.0436 -38.0397 -38.0397 -38.0357 -38.0357 -17.1142 -17.1142 -17.1092 -17.1092 -17.0732 -17.0732 -16.7353 -16.7353 -16.6069 -16.6069 -16.5520 -16.5520 -16.5425 -16.5425 -16.3405 -16.3405 -16.3227 -16.3227 -10.2266 -10.2266 -10.2261 -10.2261 -9.1985 -9.1985 -9.1892 -9.1892 -9.1883 -9.1883 4.2013 4.2013 5.9386 5.9386 7.8525 7.8525 8.1281 8.1281 8.3706 8.3706 9.1233 9.1233 9.4003 9.4003 9.4804 9.4804 12.4963 12.4963 12.5614 12.5614 12.6290 12.6290 12.6773 12.6773 12.6795 12.6795 k = 0.3571 0.5000 0.3571 ( 3966 PWs) bands (ev): -38.0442 -38.0442 -38.0397 -38.0397 -38.0352 -38.0352 -17.1136 -17.1136 -17.1080 -17.1080 -17.0712 -17.0712 -16.7331 -16.7331 -16.6055 -16.6055 -16.5541 -16.5541 -16.5433 -16.5433 -16.3440 -16.3440 -16.3236 -16.3236 -10.2266 -10.2266 -10.2259 -10.2259 -9.1983 -9.1983 -9.1892 -9.1892 -9.1882 -9.1882 4.1921 4.1921 5.8757 5.8757 7.8414 7.8414 8.1291 8.1291 8.4180 8.4180 9.1408 9.1408 9.4386 9.4386 9.5188 9.5188 12.4777 12.4777 12.5409 12.5409 12.6423 12.6423 12.6946 12.6946 12.7049 12.7049 k = 0.3469 0.5000 0.3469 ( 3970 PWs) bands (ev): -38.0448 -38.0448 -38.0397 -38.0397 -38.0346 -38.0346 -17.1130 -17.1130 -17.1068 -17.1068 -17.0692 -17.0692 -16.7307 -16.7307 -16.6042 -16.6042 -16.5563 -16.5563 -16.5443 -16.5443 -16.3476 -16.3476 -16.3247 -16.3247 -10.2266 -10.2266 -10.2258 -10.2258 -9.1981 -9.1981 -9.1893 -9.1893 -9.1882 -9.1882 4.1817 4.1817 5.8119 5.8119 7.8338 7.8338 8.1290 8.1290 8.4684 8.4684 9.1580 9.1580 9.4784 9.4784 9.5578 9.5578 12.4568 12.4568 12.5182 12.5182 12.6545 12.6545 12.7107 12.7107 12.7329 12.7329 k = 0.3367 0.5000 0.3367 ( 3966 PWs) bands (ev): -38.0454 -38.0454 -38.0397 -38.0397 -38.0339 -38.0339 -17.1125 -17.1125 -17.1055 -17.1055 -17.0670 -17.0670 -16.7282 -16.7282 -16.6028 -16.6028 -16.5585 -16.5585 -16.5452 -16.5452 -16.3513 -16.3513 -16.3258 -16.3258 -10.2265 -10.2265 -10.2257 -10.2257 -9.1979 -9.1979 -9.1894 -9.1894 -9.1881 -9.1881 4.1700 4.1700 5.7476 5.7476 7.8300 7.8300 8.1278 8.1278 8.5216 8.5216 9.1753 9.1753 9.5192 9.5192 9.5973 9.5973 12.4341 12.4341 12.4935 12.4935 12.6653 12.6653 12.7263 12.7263 12.7620 12.7620 k = 0.3265 0.5000 0.3265 ( 3982 PWs) bands (ev): -38.0461 -38.0461 -38.0397 -38.0397 -38.0333 -38.0333 -17.1119 -17.1119 -17.1042 -17.1042 -17.0648 -17.0648 -16.7256 -16.7256 -16.6015 -16.6015 -16.5607 -16.5607 -16.5462 -16.5462 -16.3552 -16.3552 -16.3271 -16.3271 -10.2265 -10.2265 -10.2256 -10.2256 -9.1978 -9.1978 -9.1895 -9.1895 -9.1881 -9.1881 4.1570 4.1570 5.6830 5.6830 7.8302 7.8302 8.1257 8.1257 8.5775 8.5775 9.1928 9.1928 9.5604 9.5604 9.6370 9.6370 12.4095 12.4095 12.4666 12.4666 12.6746 12.6746 12.7408 12.7408 12.7922 12.7922 k = 0.3163 0.5000 0.3163 ( 3970 PWs) bands (ev): -38.0468 -38.0468 -38.0397 -38.0397 -38.0326 -38.0326 -17.1114 -17.1114 -17.1028 -17.1028 -17.0625 -17.0625 -16.7229 -16.7229 -16.6001 -16.6001 -16.5627 -16.5627 -16.5472 -16.5472 -16.3590 -16.3590 -16.3283 -16.3283 -10.2265 -10.2265 -10.2255 -10.2255 -9.1975 -9.1975 -9.1895 -9.1895 -9.1880 -9.1880 4.1427 4.1427 5.6185 5.6185 7.8346 7.8346 8.1228 8.1228 8.6360 8.6360 9.2106 9.2106 9.6018 9.6018 9.6769 9.6769 12.3834 12.3834 12.4380 12.4380 12.6824 12.6824 12.7539 12.7539 12.8235 12.8235 k = 0.3061 0.5000 0.3061 ( 3970 PWs) bands (ev): -38.0475 -38.0475 -38.0398 -38.0398 -38.0319 -38.0319 -17.1110 -17.1110 -17.1015 -17.1015 -17.0602 -17.0602 -16.7201 -16.7201 -16.5990 -16.5990 -16.5645 -16.5645 -16.5482 -16.5482 -16.3630 -16.3630 -16.3296 -16.3296 -10.2265 -10.2265 -10.2254 -10.2254 -9.1973 -9.1973 -9.1896 -9.1896 -9.1880 -9.1880 4.1271 4.1271 5.5543 5.5543 7.8435 7.8435 8.1193 8.1193 8.6970 8.6970 9.2288 9.2288 9.6431 9.6431 9.7167 9.7167 12.3557 12.3557 12.4074 12.4074 12.6887 12.6887 12.7651 12.7651 12.8558 12.8558 k = 0.2959 0.5000 0.2959 ( 3966 PWs) bands (ev): -38.0482 -38.0482 -38.0398 -38.0398 -38.0311 -38.0311 -17.1106 -17.1106 -17.1000 -17.1000 -17.0579 -17.0579 -16.7172 -16.7172 -16.5981 -16.5981 -16.5660 -16.5660 -16.5492 -16.5492 -16.3669 -16.3669 -16.3309 -16.3309 -10.2264 -10.2264 -10.2253 -10.2253 -9.1971 -9.1971 -9.1897 -9.1897 -9.1879 -9.1879 4.1103 4.1103 5.4905 5.4905 7.8567 7.8567 8.1151 8.1151 8.7602 8.7602 9.2475 9.2475 9.6838 9.6838 9.7565 9.7565 12.3265 12.3265 12.3751 12.3751 12.6934 12.6934 12.7741 12.7741 12.8891 12.8891 k = 0.2857 0.5000 0.2857 ( 3964 PWs) bands (ev): -38.0490 -38.0490 -38.0398 -38.0398 -38.0304 -38.0304 -17.1103 -17.1103 -17.0986 -17.0986 -17.0556 -17.0556 -16.7143 -16.7143 -16.5977 -16.5977 -16.5671 -16.5671 -16.5502 -16.5502 -16.3709 -16.3709 -16.3322 -16.3322 -10.2264 -10.2264 -10.2252 -10.2252 -9.1969 -9.1969 -9.1898 -9.1898 -9.1879 -9.1879 4.0923 4.0923 5.4275 5.4275 7.8745 7.8745 8.1106 8.1106 8.8256 8.8256 9.2669 9.2669 9.7238 9.7238 9.7960 9.7960 12.2958 12.2958 12.3412 12.3412 12.6965 12.6965 12.7807 12.7807 12.9233 12.9233 k = 0.2755 0.5000 0.2755 ( 3952 PWs) bands (ev): -38.0497 -38.0497 -38.0398 -38.0398 -38.0297 -38.0297 -17.1101 -17.1101 -17.0971 -17.0971 -17.0533 -17.0533 -16.7112 -16.7112 -16.5978 -16.5978 -16.5676 -16.5676 -16.5511 -16.5511 -16.3749 -16.3749 -16.3336 -16.3336 -10.2264 -10.2264 -10.2251 -10.2251 -9.1967 -9.1967 -9.1898 -9.1898 -9.1879 -9.1879 4.0732 4.0732 5.3654 5.3654 7.8966 7.8966 8.1060 8.1060 8.8929 8.8929 9.2868 9.2868 9.7629 9.7629 9.8352 9.8352 12.2636 12.2636 12.3059 12.3059 12.6983 12.6983 12.7848 12.7848 12.9584 12.9584 k = 0.2653 0.5000 0.2653 ( 3952 PWs) bands (ev): -38.0505 -38.0505 -38.0398 -38.0398 -38.0289 -38.0289 -17.1099 -17.1099 -17.0955 -17.0955 -17.0511 -17.0511 -16.7082 -16.7082 -16.5985 -16.5985 -16.5676 -16.5676 -16.5519 -16.5519 -16.3789 -16.3789 -16.3350 -16.3350 -10.2263 -10.2263 -10.2250 -10.2250 -9.1965 -9.1965 -9.1899 -9.1899 -9.1879 -9.1879 4.0531 4.0531 5.3044 5.3044 7.9226 7.9226 8.1017 8.1017 8.9619 8.9619 9.3074 9.3074 9.8009 9.8009 9.8738 9.8738 12.2300 12.2300 12.2693 12.2693 12.6986 12.6986 12.7864 12.7864 12.9944 12.9944 k = 0.2551 0.5000 0.2551 ( 3952 PWs) bands (ev): -38.0513 -38.0513 -38.0398 -38.0398 -38.0281 -38.0281 -17.1098 -17.1098 -17.0940 -17.0940 -17.0489 -17.0489 -16.7051 -16.7051 -16.5997 -16.5997 -16.5673 -16.5673 -16.5523 -16.5523 -16.3829 -16.3829 -16.3365 -16.3365 -10.2263 -10.2263 -10.2250 -10.2250 -9.1963 -9.1963 -9.1900 -9.1900 -9.1878 -9.1878 4.0321 4.0321 5.2445 5.2445 7.9519 7.9519 8.0985 8.0985 9.0324 9.0324 9.3286 9.3286 9.8377 9.8377 9.9119 9.9119 12.1949 12.1949 12.2315 12.2315 12.6978 12.6978 12.7857 12.7857 13.0312 13.0312 k = 0.2449 0.5000 0.2449 ( 3948 PWs) bands (ev): -38.0521 -38.0521 -38.0398 -38.0398 -38.0274 -38.0274 -17.1098 -17.1098 -17.0924 -17.0924 -17.0468 -17.0468 -16.7020 -16.7020 -16.6015 -16.6015 -16.5669 -16.5669 -16.5522 -16.5522 -16.3868 -16.3868 -16.3380 -16.3380 -10.2263 -10.2263 -10.2249 -10.2249 -9.1961 -9.1961 -9.1902 -9.1902 -9.1878 -9.1878 4.0103 4.0103 5.1861 5.1861 7.9825 7.9825 8.0983 8.0983 9.1042 9.1042 9.3505 9.3505 9.8732 9.8732 9.9491 9.9491 12.1583 12.1583 12.1928 12.1928 12.6960 12.6960 12.7828 12.7828 13.0688 13.0688 k = 0.2347 0.5000 0.2347 ( 3948 PWs) bands (ev): -38.0528 -38.0528 -38.0398 -38.0398 -38.0266 -38.0266 -17.1099 -17.1099 -17.0908 -17.0908 -17.0449 -17.0449 -16.6989 -16.6989 -16.6036 -16.6036 -16.5667 -16.5667 -16.5513 -16.5513 -16.3906 -16.3906 -16.3394 -16.3394 -10.2263 -10.2263 -10.2248 -10.2248 -9.1959 -9.1959 -9.1903 -9.1903 -9.1878 -9.1878 3.9879 3.9879 5.1291 5.1291 8.0100 8.0100 8.1054 8.1054 9.1771 9.1771 9.3729 9.3729 9.9074 9.9074 9.9852 9.9852 12.1204 12.1204 12.1534 12.1534 12.6933 12.6933 12.7779 12.7779 13.1070 13.1070 k = 0.2245 0.5000 0.2245 ( 3952 PWs) bands (ev): -38.0536 -38.0536 -38.0399 -38.0399 -38.0259 -38.0259 -17.1101 -17.1101 -17.0891 -17.0891 -17.0430 -17.0430 -16.6957 -16.6957 -16.6060 -16.6060 -16.5670 -16.5670 -16.5497 -16.5497 -16.3944 -16.3944 -16.3409 -16.3409 -10.2263 -10.2263 -10.2248 -10.2248 -9.1958 -9.1958 -9.1904 -9.1904 -9.1879 -9.1879 3.9651 3.9651 5.0737 5.0737 8.0270 8.0270 8.1272 8.1272 9.2508 9.2508 9.3960 9.3960 9.9404 9.9404 10.0201 10.0201 12.0813 12.0813 12.1134 12.1134 12.6901 12.6901 12.7713 12.7713 13.1458 13.1458 k = 0.2143 0.5000 0.2143 ( 3956 PWs) bands (ev): -38.0543 -38.0543 -38.0399 -38.0399 -38.0251 -38.0251 -17.1104 -17.1104 -17.0875 -17.0875 -17.0412 -17.0412 -16.6926 -16.6926 -16.6084 -16.6084 -16.5678 -16.5678 -16.5473 -16.5473 -16.3982 -16.3982 -16.3424 -16.3424 -10.2263 -10.2263 -10.2248 -10.2248 -9.1956 -9.1956 -9.1905 -9.1905 -9.1879 -9.1879 3.9419 3.9419 5.0201 5.0201 8.0322 8.0322 8.1649 8.1649 9.3250 9.3250 9.4196 9.4196 9.9722 9.9722 10.0532 10.0532 12.0409 12.0409 12.0729 12.0729 12.6865 12.6865 12.7634 12.7634 13.1851 13.1851 k = 0.2041 0.5000 0.2041 ( 3952 PWs) bands (ev): -38.0551 -38.0551 -38.0399 -38.0399 -38.0244 -38.0244 -17.1107 -17.1107 -17.0858 -17.0858 -17.0395 -17.0395 -16.6895 -16.6895 -16.6110 -16.6110 -16.5690 -16.5690 -16.5443 -16.5443 -16.4018 -16.4018 -16.3439 -16.3439 -10.2264 -10.2264 -10.2247 -10.2247 -9.1955 -9.1955 -9.1907 -9.1907 -9.1879 -9.1879 3.9186 3.9186 4.9682 4.9682 8.0307 8.0307 8.2133 8.2133 9.3993 9.3993 9.4438 9.4438 10.0029 10.0029 10.0844 10.0844 11.9995 11.9995 12.0323 12.0323 12.6829 12.6829 12.7545 12.7545 13.2246 13.2246 k = 0.1939 0.5000 0.1939 ( 3954 PWs) bands (ev): -38.0558 -38.0558 -38.0399 -38.0399 -38.0237 -38.0237 -17.1111 -17.1111 -17.0841 -17.0841 -17.0380 -17.0380 -16.6865 -16.6865 -16.6136 -16.6136 -16.5704 -16.5704 -16.5409 -16.5409 -16.4054 -16.4054 -16.3454 -16.3454 -10.2264 -10.2264 -10.2247 -10.2247 -9.1953 -9.1953 -9.1908 -9.1908 -9.1879 -9.1879 3.8953 3.8953 4.9184 4.9184 8.0263 8.0263 8.2683 8.2683 9.4651 9.4651 9.4770 9.4770 10.0325 10.0325 10.1132 10.1132 11.9572 11.9572 11.9917 11.9917 12.6794 12.6794 12.7447 12.7447 13.2642 13.2642 k = 0.1837 0.5000 0.1837 ( 3950 PWs) bands (ev): -38.0565 -38.0565 -38.0399 -38.0399 -38.0229 -38.0229 -17.1115 -17.1115 -17.0824 -17.0824 -17.0366 -17.0366 -16.6834 -16.6834 -16.6161 -16.6161 -16.5720 -16.5720 -16.5371 -16.5371 -16.4089 -16.4089 -16.3468 -16.3468 -10.2264 -10.2264 -10.2247 -10.2247 -9.1952 -9.1952 -9.1909 -9.1909 -9.1880 -9.1880 3.8721 3.8721 4.8705 4.8705 8.0206 8.0206 8.3283 8.3283 9.4919 9.4919 9.5491 9.5491 10.0611 10.0611 10.1392 10.1392 11.9142 11.9142 11.9511 11.9511 12.6765 12.6765 12.7345 12.7345 13.3038 13.3038 k = 0.1735 0.5000 0.1735 ( 3962 PWs) bands (ev): -38.0572 -38.0572 -38.0399 -38.0399 -38.0223 -38.0223 -17.1121 -17.1121 -17.0808 -17.0808 -17.0353 -17.0353 -16.6805 -16.6805 -16.6185 -16.6185 -16.5738 -16.5738 -16.5332 -16.5332 -16.4123 -16.4123 -16.3483 -16.3483 -10.2265 -10.2265 -10.2247 -10.2247 -9.1951 -9.1951 -9.1911 -9.1911 -9.1880 -9.1880 3.8493 3.8493 4.8247 4.8247 8.0142 8.0142 8.3923 8.3923 9.5169 9.5169 9.6224 9.6224 10.0888 10.0888 10.1618 10.1618 11.8708 11.8708 11.9109 11.9109 12.6745 12.6745 12.7240 12.7240 13.3430 13.3430 k = 0.1633 0.5000 0.1633 ( 3976 PWs) bands (ev): -38.0579 -38.0579 -38.0399 -38.0399 -38.0216 -38.0216 -17.1126 -17.1126 -17.0791 -17.0791 -17.0342 -17.0342 -16.6777 -16.6777 -16.6208 -16.6208 -16.5757 -16.5757 -16.5292 -16.5292 -16.4156 -16.4156 -16.3497 -16.3497 -10.2266 -10.2266 -10.2247 -10.2247 -9.1950 -9.1950 -9.1913 -9.1913 -9.1881 -9.1881 3.8269 3.8269 4.7811 4.7811 8.0074 8.0074 8.4598 8.4598 9.5419 9.5419 9.6949 9.6949 10.1155 10.1155 10.1809 10.1809 11.8269 11.8269 11.8712 11.8712 12.6736 12.6736 12.7136 12.7136 13.3817 13.3817 k = 0.1531 0.5000 0.1531 ( 3964 PWs) bands (ev): -38.0585 -38.0585 -38.0399 -38.0399 -38.0210 -38.0210 -17.1132 -17.1132 -17.0775 -17.0775 -17.0331 -17.0331 -16.6749 -16.6749 -16.6229 -16.6229 -16.5776 -16.5776 -16.5250 -16.5250 -16.4188 -16.4188 -16.3511 -16.3511 -10.2266 -10.2266 -10.2246 -10.2246 -9.1949 -9.1949 -9.1914 -9.1914 -9.1881 -9.1881 3.8052 3.8052 4.7399 4.7399 8.0007 8.0007 8.5305 8.5305 9.5668 9.5668 9.7661 9.7661 10.1415 10.1415 10.1960 10.1960 11.7832 11.7832 11.8322 11.8322 12.6740 12.6740 12.7035 12.7035 13.4195 13.4195 k = 0.1429 0.5000 0.1429 ( 3964 PWs) bands (ev): -38.0592 -38.0592 -38.0400 -38.0400 -38.0203 -38.0203 -17.1139 -17.1139 -17.0758 -17.0758 -17.0321 -17.0321 -16.6722 -16.6722 -16.6248 -16.6248 -16.5797 -16.5797 -16.5208 -16.5208 -16.4219 -16.4219 -16.3524 -16.3524 -10.2267 -10.2267 -10.2246 -10.2246 -9.1948 -9.1948 -9.1915 -9.1915 -9.1881 -9.1881 3.7842 3.7842 4.7009 4.7009 7.9941 7.9941 8.6038 8.6038 9.5916 9.5916 9.8355 9.8355 10.1664 10.1664 10.2068 10.2068 11.7397 11.7397 11.7942 11.7942 12.6754 12.6754 12.6946 12.6946 13.4561 13.4561 k = 0.1327 0.5000 0.1327 ( 3962 PWs) bands (ev): -38.0597 -38.0597 -38.0400 -38.0400 -38.0198 -38.0198 -17.1145 -17.1145 -17.0743 -17.0743 -17.0313 -17.0313 -16.6697 -16.6697 -16.6264 -16.6264 -16.5819 -16.5819 -16.5166 -16.5166 -16.4249 -16.4249 -16.3536 -16.3536 -10.2267 -10.2267 -10.2246 -10.2246 -9.1947 -9.1947 -9.1916 -9.1916 -9.1882 -9.1882 3.7641 3.7641 4.6643 4.6643 7.9876 7.9876 8.6794 8.6794 9.6159 9.6159 9.9027 9.9027 10.1891 10.1891 10.2140 10.2140 11.6968 11.6968 11.7572 11.7572 12.6751 12.6751 12.6901 12.6901 13.4911 13.4911 k = 0.1224 0.5000 0.1224 ( 3970 PWs) bands (ev): -38.0603 -38.0603 -38.0400 -38.0400 -38.0192 -38.0192 -17.1152 -17.1152 -17.0728 -17.0728 -17.0307 -17.0307 -16.6674 -16.6674 -16.6277 -16.6277 -16.5841 -16.5841 -16.5124 -16.5124 -16.4279 -16.4279 -16.3549 -16.3549 -10.2268 -10.2268 -10.2245 -10.2245 -9.1947 -9.1947 -9.1918 -9.1918 -9.1882 -9.1882 3.7450 3.7450 4.6302 4.6302 7.9814 7.9814 8.7570 8.7570 9.6396 9.6396 9.9673 9.9673 10.2032 10.2032 10.2239 10.2239 11.6547 11.6547 11.7215 11.7215 12.6692 12.6692 12.6940 12.6940 13.5242 13.5242 k = 0.1122 0.5000 0.1122 ( 3970 PWs) bands (ev): -38.0608 -38.0608 -38.0400 -38.0400 -38.0187 -38.0187 -17.1158 -17.1158 -17.0713 -17.0713 -17.0301 -17.0301 -16.6653 -16.6653 -16.6287 -16.6287 -16.5864 -16.5864 -16.5083 -16.5083 -16.4307 -16.4307 -16.3561 -16.3561 -10.2269 -10.2269 -10.2245 -10.2245 -9.1947 -9.1947 -9.1919 -9.1919 -9.1883 -9.1883 3.7270 3.7270 4.5987 4.5987 7.9754 7.9754 8.8362 8.8362 9.6627 9.6627 10.0290 10.0290 10.2013 10.2013 10.2433 10.2433 11.6137 11.6137 11.6874 11.6874 12.6613 12.6613 12.7032 12.7032 13.5549 13.5550 k = 0.1020 0.5000 0.1020 ( 3978 PWs) bands (ev): -38.0613 -38.0613 -38.0400 -38.0400 -38.0182 -38.0182 -17.1165 -17.1165 -17.0699 -17.0699 -17.0296 -17.0296 -16.6636 -16.6636 -16.6292 -16.6292 -16.5887 -16.5887 -16.5043 -16.5043 -16.4335 -16.4335 -16.3572 -16.3572 -10.2270 -10.2270 -10.2245 -10.2245 -9.1946 -9.1946 -9.1920 -9.1920 -9.1883 -9.1883 3.7103 3.7103 4.5697 4.5697 7.9699 7.9699 8.9165 8.9165 9.6846 9.6846 10.0872 10.0872 10.1906 10.1906 10.2647 10.2647 11.5743 11.5743 11.6551 11.6551 12.6534 12.6534 12.7156 12.7156 13.5453 13.5727 k = 0.0918 0.5000 0.0918 ( 3974 PWs) bands (ev): -38.0617 -38.0617 -38.0400 -38.0400 -38.0178 -38.0178 -17.1171 -17.1171 -17.0686 -17.0686 -17.0292 -17.0292 -16.6621 -16.6621 -16.6293 -16.6293 -16.5911 -16.5911 -16.5003 -16.5003 -16.4362 -16.4362 -16.3582 -16.3582 -10.2270 -10.2270 -10.2245 -10.2245 -9.1946 -9.1946 -9.1920 -9.1920 -9.1883 -9.1883 3.6948 3.6948 4.5433 4.5433 7.9647 7.9647 8.9977 8.9977 9.7054 9.7054 10.1415 10.1415 10.1735 10.1735 10.2858 10.2858 11.5367 11.5367 11.6249 11.6249 12.6460 12.6460 12.7309 12.7309 13.5283 13.5289 k = 0.0816 0.5000 0.0816 ( 3970 PWs) bands (ev): -38.0621 -38.0621 -38.0400 -38.0400 -38.0174 -38.0174 -17.1177 -17.1177 -17.0674 -17.0674 -17.0289 -17.0289 -16.6609 -16.6609 -16.6289 -16.6289 -16.5935 -16.5935 -16.4965 -16.4965 -16.4388 -16.4388 -16.3591 -16.3591 -10.2271 -10.2271 -10.2245 -10.2245 -9.1946 -9.1946 -9.1921 -9.1921 -9.1884 -9.1884 3.6808 3.6808 4.5196 4.5196 7.9600 7.9600 9.0792 9.0792 9.7245 9.7245 10.1500 10.1500 10.1917 10.1917 10.3061 10.3061 11.5012 11.5012 11.5969 11.5969 12.6391 12.6391 12.7487 12.7487 13.5126 13.5127 k = 0.0714 0.5000 0.0714 ( 3974 PWs) bands (ev): -38.0625 -38.0625 -38.0400 -38.0400 -38.0170 -38.0170 -17.1182 -17.1182 -17.0662 -17.0662 -17.0287 -17.0287 -16.6601 -16.6601 -16.6280 -16.6280 -16.5960 -16.5960 -16.4928 -16.4928 -16.4414 -16.4414 -16.3599 -16.3599 -10.2271 -10.2271 -10.2245 -10.2245 -9.1946 -9.1946 -9.1922 -9.1922 -9.1884 -9.1884 3.6682 3.6682 4.4985 4.4985 7.9557 7.9557 9.1606 9.1606 9.7417 9.7417 10.1210 10.1210 10.2369 10.2369 10.3252 10.3252 11.4686 11.4686 11.5714 11.5714 12.6330 12.6330 12.7685 12.7685 13.4981 13.4982 k = 0.0612 0.5000 0.0612 ( 3972 PWs) bands (ev): -38.0628 -38.0628 -38.0400 -38.0400 -38.0167 -38.0167 -17.1187 -17.1187 -17.0652 -17.0652 -17.0285 -17.0285 -16.6596 -16.6596 -16.6268 -16.6268 -16.5986 -16.5986 -16.4894 -16.4894 -16.4438 -16.4438 -16.3607 -16.3607 -10.2272 -10.2272 -10.2245 -10.2245 -9.1946 -9.1946 -9.1922 -9.1922 -9.1884 -9.1884 3.6572 3.6572 4.4803 4.4803 7.9519 7.9519 9.2414 9.2414 9.7564 9.7564 10.0868 10.0868 10.2768 10.2768 10.3429 10.3429 11.4390 11.4390 11.5487 11.5487 12.6276 12.6276 12.7896 12.7896 13.4848 13.4848 k = 0.0510 0.5000 0.0510 ( 3976 PWs) bands (ev): -38.0631 -38.0631 -38.0400 -38.0400 -38.0165 -38.0165 -17.1192 -17.1192 -17.0644 -17.0644 -17.0283 -17.0283 -16.6592 -16.6592 -16.6252 -16.6252 -16.6011 -16.6011 -16.4862 -16.4862 -16.4462 -16.4462 -16.3613 -16.3613 -10.2272 -10.2272 -10.2245 -10.2245 -9.1947 -9.1947 -9.1923 -9.1923 -9.1884 -9.1884 3.6478 3.6478 4.4647 4.4647 7.9487 7.9487 9.3210 9.3210 9.7679 9.7679 10.0482 10.0482 10.3110 10.3110 10.3590 10.3590 11.4130 11.4130 11.5290 11.5290 12.6230 12.6230 12.8110 12.8110 13.4726 13.4726 k = 0.0408 0.5000 0.0408 ( 3976 PWs) bands (ev): -38.0633 -38.0633 -38.0400 -38.0400 -38.0162 -38.0162 -17.1195 -17.1195 -17.0637 -17.0637 -17.0283 -17.0283 -16.6590 -16.6590 -16.6234 -16.6234 -16.6037 -16.6037 -16.4832 -16.4832 -16.4483 -16.4483 -16.3618 -16.3618 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1884 -9.1884 3.6400 3.6400 4.4520 4.4520 7.9460 7.9460 9.3985 9.3985 9.7752 9.7752 10.0069 10.0069 10.3388 10.3388 10.3734 10.3734 11.3909 11.3909 11.5125 11.5125 12.6192 12.6192 12.8316 12.8316 13.4613 13.4614 k = 0.0306 0.5000 0.0306 ( 3964 PWs) bands (ev): -38.0634 -38.0634 -38.0400 -38.0400 -38.0161 -38.0161 -17.1198 -17.1198 -17.0630 -17.0630 -17.0282 -17.0282 -16.6589 -16.6589 -16.6213 -16.6213 -16.6062 -16.6062 -16.4807 -16.4807 -16.4502 -16.4502 -16.3622 -16.3622 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1884 -9.1884 3.6339 3.6339 4.4421 4.4421 7.9440 7.9440 9.4729 9.4729 9.7761 9.7761 9.9658 9.9658 10.3600 10.3600 10.3860 10.3860 11.3732 11.3732 11.4995 11.4995 12.6162 12.6162 12.8501 12.8501 13.4513 13.4514 k = 0.0204 0.5000 0.0204 ( 3964 PWs) bands (ev): -38.0636 -38.0636 -38.0400 -38.0400 -38.0160 -38.0160 -17.1200 -17.1200 -17.0626 -17.0626 -17.0282 -17.0282 -16.6589 -16.6589 -16.6191 -16.6191 -16.6087 -16.6087 -16.4787 -16.4787 -16.4518 -16.4518 -16.3625 -16.3625 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6296 3.6296 4.4350 4.4350 7.9425 7.9425 9.5422 9.5422 9.7668 9.7668 9.9303 9.9303 10.3741 10.3741 10.3963 10.3963 11.3602 11.3602 11.4901 11.4901 12.6141 12.6141 12.8648 12.8648 13.4430 13.4431 k = 0.0102 0.5000 0.0102 ( 3972 PWs) bands (ev): -38.0636 -38.0636 -38.0400 -38.0400 -38.0159 -38.0159 -17.1201 -17.1201 -17.0624 -17.0624 -17.0282 -17.0282 -16.6589 -16.6589 -16.6169 -16.6169 -16.6111 -16.6111 -16.4774 -16.4774 -16.4529 -16.4529 -16.3628 -16.3628 -10.2273 -10.2273 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6269 3.6269 4.4307 4.4307 7.9416 7.9416 9.6014 9.6014 9.7455 9.7455 9.9072 9.9072 10.3819 10.3819 10.4033 10.4033 11.3523 11.3523 11.4843 11.4843 12.6128 12.6128 12.8744 12.8744 13.4374 13.4374 k = 0.0000 0.5000-0.0000 ( 3980 PWs) bands (ev): -38.0637 -38.0637 -38.0400 -38.0400 -38.0159 -38.0159 -17.1202 -17.1202 -17.0623 -17.0623 -17.0282 -17.0282 -16.6589 -16.6589 -16.6154 -16.6154 -16.6126 -16.6126 -16.4770 -16.4770 -16.4533 -16.4533 -16.3629 -16.3629 -10.2274 -10.2274 -10.2244 -10.2244 -9.1947 -9.1947 -9.1923 -9.1923 -9.1885 -9.1885 3.6261 3.6261 4.4293 4.4293 7.9413 7.9413 9.6308 9.6308 9.7286 9.7286 9.8995 9.8995 10.3844 10.3844 10.4057 10.4057 11.3496 11.3496 11.4823 11.4823 12.6124 12.6124 12.8777 12.8777 13.4353 13.4354 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1081 -17.1081 -17.0663 -17.0663 -17.0600 -17.0600 -16.6748 -16.6748 -16.6189 -16.6189 -16.5874 -16.5874 -16.5123 -16.5123 -16.4508 -16.4508 -16.3213 -16.3213 -10.2250 -10.2250 -10.2247 -10.2247 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1716 4.1716 5.4503 5.4503 7.2854 7.2854 7.3666 7.3666 9.6852 9.6852 9.8276 9.8276 9.9078 9.9078 9.9448 9.9448 12.2799 12.2799 12.2842 12.2842 12.6440 12.6440 12.6575 12.6575 12.8258 12.8258 k = 0.5000 0.5000 0.0143 ( 3952 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1082 -17.1082 -17.0666 -17.0666 -17.0599 -17.0599 -16.6752 -16.6752 -16.6186 -16.6186 -16.5875 -16.5875 -16.5127 -16.5127 -16.4503 -16.4503 -16.3214 -16.3214 -10.2251 -10.2251 -10.2248 -10.2248 -9.1956 -9.1956 -9.1900 -9.1900 -9.1862 -9.1862 4.1718 4.1718 5.4516 5.4516 7.2865 7.2865 7.3676 7.3676 9.6836 9.6836 9.8243 9.8243 9.9060 9.9060 9.9430 9.9430 12.2811 12.2811 12.2855 12.2855 12.6444 12.6444 12.6579 12.6579 12.8258 12.8258 k = 0.5000 0.5000 0.0286 ( 3968 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1083 -17.1083 -17.0674 -17.0674 -17.0597 -17.0597 -16.6764 -16.6764 -16.6174 -16.6174 -16.5877 -16.5877 -16.5139 -16.5139 -16.4485 -16.4485 -16.3213 -16.3213 -10.2251 -10.2251 -10.2248 -10.2248 -9.1957 -9.1957 -9.1900 -9.1900 -9.1863 -9.1863 4.1722 4.1722 5.4554 5.4554 7.2898 7.2898 7.3708 7.3708 9.6792 9.6792 9.8147 9.8147 9.9008 9.9008 9.9378 9.9378 12.2849 12.2849 12.2892 12.2892 12.6456 12.6456 12.6591 12.6591 12.8257 12.8257 k = 0.5000 0.5000 0.0429 ( 3968 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1084 -17.1084 -17.0684 -17.0684 -17.0595 -17.0595 -16.6782 -16.6782 -16.6156 -16.6156 -16.5879 -16.5879 -16.5157 -16.5157 -16.4457 -16.4457 -16.3213 -16.3213 -10.2251 -10.2251 -10.2248 -10.2248 -9.1957 -9.1957 -9.1900 -9.1900 -9.1863 -9.1863 4.1728 4.1728 5.4619 5.4619 7.2954 7.2954 7.3762 7.3762 9.6720 9.6720 9.7989 9.7989 9.8923 9.8923 9.9294 9.9294 12.2912 12.2912 12.2954 12.2954 12.6476 12.6476 12.6612 12.6612 12.8256 12.8256 k = 0.5000 0.5000 0.0571 ( 3960 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1085 -17.1085 -17.0697 -17.0697 -17.0593 -17.0593 -16.6804 -16.6804 -16.6132 -16.6132 -16.5882 -16.5882 -16.5179 -16.5179 -16.4420 -16.4420 -16.3212 -16.3212 -10.2251 -10.2251 -10.2249 -10.2249 -9.1957 -9.1957 -9.1899 -9.1899 -9.1863 -9.1863 4.1738 4.1738 5.4710 5.4710 7.3031 7.3031 7.3836 7.3836 9.6620 9.6620 9.7771 9.7771 9.8807 9.8807 9.9178 9.9178 12.2998 12.2998 12.3039 12.3039 12.6504 12.6504 12.6640 12.6640 12.8253 12.8253 k = 0.5000 0.5000 0.0714 ( 3960 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1087 -17.1087 -17.0712 -17.0712 -17.0592 -17.0592 -16.6831 -16.6831 -16.6104 -16.6104 -16.5885 -16.5885 -16.5204 -16.5204 -16.4377 -16.4377 -16.3211 -16.3211 -10.2251 -10.2251 -10.2249 -10.2249 -9.1958 -9.1958 -9.1899 -9.1899 -9.1864 -9.1864 4.1750 4.1750 5.4826 5.4826 7.3131 7.3131 7.3931 7.3931 9.6493 9.6493 9.7493 9.7493 9.8660 9.8660 9.9031 9.9031 12.3104 12.3104 12.3144 12.3144 12.6537 12.6537 12.6675 12.6675 12.8245 12.8245 k = 0.5000 0.5000 0.0857 ( 3968 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1090 -17.1090 -17.0729 -17.0729 -17.0592 -17.0592 -16.6862 -16.6862 -16.6072 -16.6072 -16.5890 -16.5890 -16.5230 -16.5230 -16.4328 -16.4328 -16.3210 -16.3210 -10.2252 -10.2252 -10.2250 -10.2250 -9.1959 -9.1959 -9.1899 -9.1899 -9.1865 -9.1865 4.1764 4.1764 5.4967 5.4967 7.3251 7.3251 7.4047 7.4047 9.6339 9.6339 9.7158 9.7158 9.8484 9.8484 9.8856 9.8856 12.3229 12.3229 12.3267 12.3267 12.6576 12.6576 12.6715 12.6715 12.8231 12.8231 k = 0.5000 0.5000 0.1000 ( 3968 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1092 -17.1092 -17.0747 -17.0747 -17.0594 -17.0594 -16.6894 -16.6894 -16.6038 -16.6038 -16.5896 -16.5896 -16.5255 -16.5255 -16.4276 -16.4276 -16.3209 -16.3209 -10.2252 -10.2252 -10.2250 -10.2250 -9.1960 -9.1960 -9.1899 -9.1899 -9.1865 -9.1865 4.1781 4.1781 5.5134 5.5134 7.3393 7.3393 7.4183 7.4183 9.6161 9.6161 9.6769 9.6769 9.8282 9.8282 9.8655 9.8655 12.3369 12.3369 12.3405 12.3405 12.6619 12.6619 12.6759 12.6759 12.8208 12.8208 k = 0.5000 0.5000 0.1143 ( 3984 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1095 -17.1095 -17.0767 -17.0767 -17.0597 -17.0597 -16.6928 -16.6928 -16.6003 -16.6003 -16.5904 -16.5904 -16.5280 -16.5280 -16.4222 -16.4222 -16.3208 -16.3208 -10.2253 -10.2253 -10.2251 -10.2251 -9.1962 -9.1962 -9.1899 -9.1899 -9.1867 -9.1867 4.1800 4.1800 5.5324 5.5324 7.3555 7.3555 7.4338 7.4338 9.5960 9.5960 9.6330 9.6330 9.8056 9.8056 9.8429 9.8429 12.3521 12.3521 12.3555 12.3555 12.6665 12.6665 12.6805 12.6805 12.8174 12.8174 k = 0.5000 0.5000 0.1286 ( 3976 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0397 -38.0397 -17.1098 -17.1098 -17.0787 -17.0787 -17.0602 -17.0602 -16.6962 -16.6962 -16.5967 -16.5967 -16.5912 -16.5912 -16.5302 -16.5302 -16.4165 -16.4165 -16.3207 -16.3207 -10.2253 -10.2253 -10.2252 -10.2252 -9.1963 -9.1963 -9.1898 -9.1898 -9.1867 -9.1867 4.1821 4.1821 5.5540 5.5540 7.3737 7.3737 7.4512 7.4512 9.5739 9.5739 9.5844 9.5844 9.7810 9.7810 9.8184 9.8184 12.3684 12.3684 12.3716 12.3716 12.6711 12.6711 12.6851 12.6851 12.8128 12.8128 k = 0.5000 0.5000 0.1429 ( 3976 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0396 -38.0396 -17.1102 -17.1102 -17.0808 -17.0808 -17.0608 -17.0608 -16.6996 -16.6996 -16.5930 -16.5930 -16.5921 -16.5921 -16.5322 -16.5322 -16.4107 -16.4107 -16.3205 -16.3205 -10.2254 -10.2254 -10.2252 -10.2252 -9.1964 -9.1964 -9.1898 -9.1898 -9.1868 -9.1868 4.1844 4.1844 5.5780 5.5780 7.3939 7.3939 7.4704 7.4704 9.5314 9.5314 9.5498 9.5498 9.7545 9.7545 9.7920 9.7920 12.3853 12.3853 12.3883 12.3883 12.6756 12.6756 12.6896 12.6896 12.8067 12.8067 k = 0.5000 0.5000 0.1571 ( 3960 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0396 -38.0396 -17.1105 -17.1105 -17.0829 -17.0829 -17.0615 -17.0615 -16.7030 -16.7030 -16.5931 -16.5931 -16.5893 -16.5893 -16.5340 -16.5340 -16.4048 -16.4048 -16.3203 -16.3203 -10.2254 -10.2254 -10.2253 -10.2253 -9.1965 -9.1965 -9.1897 -9.1897 -9.1869 -9.1869 4.1869 4.1869 5.6043 5.6043 7.4159 7.4159 7.4913 7.4913 9.4746 9.4746 9.5241 9.5241 9.7266 9.7266 9.7640 9.7640 12.4027 12.4027 12.4055 12.4055 12.6796 12.6796 12.6936 12.6936 12.7991 12.7991 k = 0.5000 0.5000 0.1714 ( 3948 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0396 -38.0396 -17.1109 -17.1109 -17.0851 -17.0851 -17.0623 -17.0623 -16.7064 -16.7064 -16.5942 -16.5942 -16.5856 -16.5856 -16.5355 -16.5355 -16.3988 -16.3988 -16.3201 -16.3201 -10.2255 -10.2255 -10.2254 -10.2254 -9.1967 -9.1967 -9.1896 -9.1896 -9.1870 -9.1870 4.1896 4.1896 5.6329 5.6329 7.4397 7.4397 7.5139 7.5139 9.4140 9.4140 9.4967 9.4967 9.6973 9.6973 9.7348 9.7348 12.4202 12.4202 12.4229 12.4229 12.6831 12.6831 12.6968 12.6968 12.7898 12.7898 k = 0.5000 0.5000 0.1857 ( 3972 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0396 -38.0396 -17.1114 -17.1114 -17.0873 -17.0873 -17.0634 -17.0634 -16.7098 -16.7098 -16.5955 -16.5955 -16.5820 -16.5820 -16.5368 -16.5368 -16.3930 -16.3930 -16.3199 -16.3199 -10.2256 -10.2256 -10.2255 -10.2255 -9.1969 -9.1969 -9.1896 -9.1896 -9.1872 -9.1872 4.1924 4.1924 5.6637 5.6637 7.4652 7.4652 7.5380 7.5380 9.3501 9.3501 9.4680 9.4680 9.6669 9.6669 9.7044 9.7044 12.4376 12.4376 12.4401 12.4401 12.6855 12.6855 12.6991 12.6991 12.7788 12.7788 k = 0.5000 0.5000 0.2000 ( 3972 PWs) bands (ev): -38.0398 -38.0398 -38.0398 -38.0398 -38.0396 -38.0396 -17.1118 -17.1118 -17.0895 -17.0895 -17.0645 -17.0645 -16.7131 -16.7131 -16.5968 -16.5968 -16.5784 -16.5784 -16.5378 -16.5378 -16.3872 -16.3872 -16.3197 -16.3197 -10.2257 -10.2257 -10.2256 -10.2256 -9.1971 -9.1971 -9.1896 -9.1896 -9.1873 -9.1873 4.1954 4.1954 5.6966 5.6966 7.4923 7.4923 7.5636 7.5636 9.2835 9.2835 9.4382 9.4382 9.6357 9.6357 9.6731 9.6731 12.4550 12.4550 12.4573 12.4573 12.6868 12.6868 12.7001 12.7001 12.7663 12.7663 k = 0.5000 0.5000 0.2143 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1122 -17.1122 -17.0918 -17.0918 -17.0656 -17.0656 -16.7163 -16.7163 -16.5981 -16.5981 -16.5749 -16.5749 -16.5386 -16.5386 -16.3814 -16.3814 -16.3194 -16.3194 -10.2258 -10.2258 -10.2256 -10.2256 -9.1972 -9.1972 -9.1895 -9.1895 -9.1874 -9.1874 4.1985 4.1985 5.7315 5.7315 7.5208 7.5208 7.5904 7.5904 9.2144 9.2144 9.4075 9.4075 9.6039 9.6039 9.6412 9.6412 12.4720 12.4720 12.4741 12.4741 12.6868 12.6868 12.6997 12.6997 12.7523 12.7523 k = 0.5000 0.5000 0.2286 ( 3976 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1127 -17.1127 -17.0940 -17.0940 -17.0669 -17.0669 -16.7194 -16.7194 -16.5995 -16.5995 -16.5715 -16.5715 -16.5392 -16.5392 -16.3758 -16.3758 -16.3192 -16.3192 -10.2259 -10.2259 -10.2257 -10.2257 -9.1975 -9.1975 -9.1895 -9.1895 -9.1875 -9.1875 4.2016 4.2016 5.7684 5.7684 7.5507 7.5507 7.6184 7.6184 9.1433 9.1433 9.3761 9.3761 9.5718 9.5718 9.6089 9.6089 12.4885 12.4885 12.4905 12.4905 12.6851 12.6851 12.6976 12.6976 12.7369 12.7369 k = 0.5000 0.5000 0.2429 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1132 -17.1132 -17.0961 -17.0961 -17.0683 -17.0683 -16.7224 -16.7224 -16.6009 -16.6009 -16.5682 -16.5682 -16.5396 -16.5396 -16.3703 -16.3703 -16.3190 -16.3190 -10.2259 -10.2259 -10.2258 -10.2258 -9.1976 -9.1976 -9.1894 -9.1894 -9.1876 -9.1876 4.2048 4.2048 5.8071 5.8071 7.5818 7.5818 7.6474 7.6474 9.0706 9.0706 9.3443 9.3443 9.5397 9.5397 9.5764 9.5764 12.5045 12.5045 12.5063 12.5063 12.6817 12.6817 12.6939 12.6939 12.7204 12.7204 k = 0.5000 0.5000 0.2571 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1137 -17.1137 -17.0983 -17.0983 -17.0696 -17.0696 -16.7253 -16.7253 -16.6023 -16.6023 -16.5650 -16.5650 -16.5399 -16.5399 -16.3650 -16.3650 -16.3187 -16.3187 -10.2260 -10.2260 -10.2259 -10.2259 -9.1978 -9.1978 -9.1894 -9.1894 -9.1877 -9.1877 4.2081 4.2081 5.8475 5.8475 7.6140 7.6140 7.6773 7.6773 8.9966 8.9966 9.3120 9.3120 9.5076 9.5076 9.5439 9.5439 12.5197 12.5197 12.5214 12.5214 12.6764 12.6764 12.6883 12.6883 12.7030 12.7030 k = 0.5000 0.5000 0.2714 ( 3976 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1141 -17.1141 -17.1004 -17.1004 -17.0711 -17.0711 -16.7280 -16.7280 -16.6036 -16.6036 -16.5620 -16.5620 -16.5400 -16.5400 -16.3599 -16.3599 -16.3185 -16.3185 -10.2261 -10.2261 -10.2260 -10.2260 -9.1980 -9.1980 -9.1893 -9.1893 -9.1878 -9.1878 4.2113 4.2113 5.8893 5.8893 7.6471 7.6471 7.7078 7.7078 8.9217 8.9217 9.2796 9.2796 9.4759 9.4759 9.5115 9.5115 12.5342 12.5342 12.5355 12.5355 12.6694 12.6694 12.6811 12.6811 12.6849 12.6849 k = 0.5000 0.5000 0.2857 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1146 -17.1146 -17.1024 -17.1024 -17.0725 -17.0725 -16.7306 -16.7306 -16.6049 -16.6049 -16.5591 -16.5591 -16.5400 -16.5400 -16.3549 -16.3549 -16.3183 -16.3183 -10.2262 -10.2262 -10.2261 -10.2261 -9.1982 -9.1982 -9.1893 -9.1893 -9.1879 -9.1879 4.2146 4.2146 5.9325 5.9325 7.6809 7.6809 7.7387 7.7387 8.8465 8.8465 9.2473 9.2473 9.4448 9.4448 9.4795 9.4795 12.5477 12.5477 12.5486 12.5486 12.6608 12.6608 12.6665 12.6665 12.6725 12.6725 k = 0.5000 0.5000 0.3000 ( 3976 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1151 -17.1151 -17.1043 -17.1043 -17.0739 -17.0739 -16.7330 -16.7330 -16.6062 -16.6062 -16.5564 -16.5564 -16.5399 -16.5399 -16.3502 -16.3502 -16.3180 -16.3180 -10.2263 -10.2263 -10.2262 -10.2262 -9.1984 -9.1984 -9.1892 -9.1892 -9.1880 -9.1880 4.2178 4.2178 5.9767 5.9767 7.7152 7.7152 7.7699 7.7699 8.7711 8.7711 9.2151 9.2151 9.4144 9.4144 9.4479 9.4479 12.5600 12.5600 12.5602 12.5602 12.6477 12.6477 12.6511 12.6511 12.6629 12.6629 k = 0.5000 0.5000 0.3143 ( 3984 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1156 -17.1156 -17.1062 -17.1062 -17.0754 -17.0754 -16.7354 -16.7354 -16.6074 -16.6074 -16.5538 -16.5538 -16.5397 -16.5397 -16.3458 -16.3458 -16.3178 -16.3178 -10.2264 -10.2264 -10.2263 -10.2263 -9.1986 -9.1986 -9.1892 -9.1892 -9.1881 -9.1881 4.2209 4.2209 6.0218 6.0218 7.7498 7.7498 7.8011 7.8011 8.6962 8.6962 9.1832 9.1832 9.3850 9.3850 9.4170 9.4170 12.5697 12.5697 12.5705 12.5705 12.6292 12.6292 12.6407 12.6407 12.6532 12.6532 k = 0.5000 0.5000 0.3286 ( 3984 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1160 -17.1160 -17.1080 -17.1080 -17.0767 -17.0767 -16.7375 -16.7375 -16.6085 -16.6085 -16.5514 -16.5514 -16.5395 -16.5395 -16.3416 -16.3416 -16.3176 -16.3176 -10.2265 -10.2265 -10.2264 -10.2264 -9.1988 -9.1988 -9.1892 -9.1892 -9.1882 -9.1882 4.2239 4.2239 6.0673 6.0673 7.7844 7.7844 7.8321 7.8321 8.6223 8.6223 9.1519 9.1519 9.3568 9.3568 9.3870 9.3870 12.5759 12.5759 12.5779 12.5779 12.6112 12.6112 12.6313 12.6313 12.6449 12.6449 k = 0.5000 0.5000 0.3429 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1164 -17.1164 -17.1096 -17.1096 -17.0780 -17.0780 -16.7394 -16.7394 -16.6095 -16.6095 -16.5491 -16.5491 -16.5392 -16.5392 -16.3376 -16.3376 -16.3173 -16.3173 -10.2265 -10.2265 -10.2264 -10.2264 -9.1989 -9.1989 -9.1891 -9.1891 -9.1883 -9.1883 4.2269 4.2269 6.1130 6.1130 7.8188 7.8188 7.8626 7.8626 8.5501 8.5501 9.1213 9.1213 9.3300 9.3300 9.3580 9.3580 12.5770 12.5770 12.5794 12.5794 12.5941 12.5941 12.6258 12.6258 12.6401 12.6401 k = 0.5000 0.5000 0.3571 ( 3968 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1168 -17.1168 -17.1111 -17.1111 -17.0793 -17.0793 -16.7413 -16.7413 -16.6104 -16.6104 -16.5470 -16.5470 -16.5389 -16.5389 -16.3340 -16.3340 -16.3171 -16.3171 -10.2266 -10.2266 -10.2265 -10.2265 -9.1991 -9.1991 -9.1891 -9.1891 -9.1884 -9.1884 4.2296 4.2296 6.1585 6.1585 7.8527 7.8527 7.8921 7.8921 8.4798 8.4798 9.0914 9.0914 9.3048 9.3048 9.3303 9.3303 12.5720 12.5720 12.5721 12.5721 12.5791 12.5791 12.6266 12.6266 12.6399 12.6399 k = 0.5000 0.5000 0.3714 ( 3960 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1171 -17.1171 -17.1125 -17.1125 -17.0805 -17.0805 -16.7429 -16.7429 -16.6113 -16.6113 -16.5452 -16.5452 -16.5386 -16.5386 -16.3306 -16.3306 -16.3169 -16.3169 -10.2266 -10.2266 -10.2265 -10.2265 -9.1992 -9.1992 -9.1890 -9.1890 -9.1884 -9.1884 4.2322 4.2322 6.2032 6.2032 7.8856 7.8856 7.9206 7.9206 8.4122 8.4122 9.0627 9.0627 9.2814 9.2814 9.3041 9.3041 12.5587 12.5587 12.5627 12.5627 12.5659 12.5659 12.6315 12.6315 12.6434 12.6434 k = 0.5000 0.5000 0.3857 ( 3952 PWs) bands (ev): -38.0397 -38.0397 -38.0397 -38.0397 -38.0396 -38.0396 -17.1174 -17.1174 -17.1138 -17.1138 -17.0816 -17.0816 -16.7444 -16.7444 -16.6121 -16.6121 -16.5435 -16.5435 -16.5383 -16.5383 -16.3276 -16.3276 -16.3168 -16.3168 -10.2266 -10.2266 -10.2266 -10.2266 -9.1994 -9.1994 -9.1889 -9.1889 -9.1885 -9.1885 4.2346 4.2346 6.2466 6.2466 7.9172 7.9172 7.9475 7.9475 8.3481 8.3481 9.0353 9.0353 9.2600 9.2600 9.2795 9.2795 12.5447 12.5447 12.5509 12.5509 12.5525 12.5525 12.6378 12.6378 12.6486 12.6486 k = 0.5000 0.5000 0.4000 ( 3952 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1178 -17.1178 -17.1149 -17.1149 -17.0826 -17.0826 -16.7457 -16.7457 -16.6127 -16.6127 -16.5419 -16.5419 -16.5380 -16.5380 -16.3249 -16.3249 -16.3166 -16.3166 -10.2267 -10.2267 -10.2267 -10.2267 -9.1995 -9.1995 -9.1889 -9.1889 -9.1886 -9.1886 4.2367 4.2367 6.2879 6.2879 7.9470 7.9470 7.9726 7.9726 8.2881 8.2881 9.0096 9.0096 9.2406 9.2406 9.2568 9.2568 12.5316 12.5316 12.5384 12.5384 12.5391 12.5391 12.6443 12.6443 12.6541 12.6541 k = 0.5000 0.5000 0.4143 ( 3964 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1181 -17.1181 -17.1160 -17.1160 -17.0835 -17.0835 -16.7468 -16.7468 -16.6134 -16.6134 -16.5407 -16.5407 -16.5378 -16.5378 -16.3226 -16.3226 -16.3165 -16.3165 -10.2268 -10.2268 -10.2267 -10.2267 -9.1996 -9.1996 -9.1889 -9.1889 -9.1886 -9.1886 4.2386 4.2386 6.3264 6.3264 7.9745 7.9745 7.9953 7.9953 8.2332 8.2332 8.9858 8.9858 9.2236 9.2236 9.2364 9.2364 12.5198 12.5198 12.5263 12.5263 12.5263 12.5263 12.6502 12.6502 12.6594 12.6594 k = 0.5000 0.5000 0.4286 ( 3956 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1183 -17.1183 -17.1168 -17.1168 -17.0842 -17.0842 -16.7478 -16.7478 -16.6139 -16.6139 -16.5395 -16.5395 -16.5376 -16.5376 -16.3206 -16.3206 -16.3163 -16.3163 -10.2268 -10.2268 -10.2267 -10.2267 -9.1997 -9.1997 -9.1888 -9.1888 -9.1886 -9.1886 4.2403 4.2403 6.3612 6.3612 7.9993 7.9993 8.0155 8.0155 8.1843 8.1843 8.9646 8.9646 9.2090 9.2090 9.2184 9.2184 12.5097 12.5097 12.5148 12.5148 12.5151 12.5151 12.6554 12.6554 12.6639 12.6639 k = 0.5000 0.5000 0.4429 ( 3956 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1185 -17.1185 -17.1175 -17.1175 -17.0849 -17.0849 -16.7486 -16.7486 -16.6143 -16.6143 -16.5386 -16.5386 -16.5374 -16.5374 -16.3190 -16.3190 -16.3162 -16.3162 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2417 4.2417 6.3916 6.3916 8.0206 8.0206 8.0326 8.0326 8.1424 8.1424 8.9462 8.9462 9.1969 9.1969 9.2032 9.2032 12.5012 12.5012 12.5049 12.5049 12.5054 12.5054 12.6598 12.6598 12.6673 12.6673 k = 0.5000 0.5000 0.4571 ( 3944 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1186 -17.1186 -17.1181 -17.1181 -17.0854 -17.0854 -16.7492 -16.7492 -16.6146 -16.6146 -16.5379 -16.5379 -16.5372 -16.5372 -16.3177 -16.3177 -16.3161 -16.3161 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2428 4.2428 6.4164 6.4164 8.0381 8.0381 8.0463 8.0463 8.1086 8.1086 8.9312 8.9312 9.1874 9.1874 9.1911 9.1911 12.4944 12.4944 12.4970 12.4970 12.4976 12.4976 12.6634 12.6634 12.6692 12.6692 k = 0.5000 0.5000 0.4714 ( 3936 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1185 -17.1185 -17.0857 -17.0857 -16.7496 -16.7496 -16.6148 -16.6148 -16.5373 -16.5373 -16.5370 -16.5370 -16.3167 -16.3167 -16.3160 -16.3160 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1888 -9.1888 -9.1887 -9.1887 4.2436 4.2436 6.4349 6.4349 8.0511 8.0511 8.0564 8.0564 8.0837 8.0837 8.9201 8.9201 9.1805 9.1805 9.1822 9.1822 12.4893 12.4893 12.4914 12.4914 12.4918 12.4918 12.6659 12.6659 12.6692 12.6692 k = 0.5000 0.5000 0.4857 ( 3912 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0859 -17.0859 -16.7499 -16.7499 -16.6149 -16.6149 -16.5370 -16.5370 -16.5369 -16.5369 -16.3161 -16.3161 -16.3159 -16.3159 -10.2267 -10.2267 -10.2267 -10.2267 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2441 4.2441 6.4464 6.4464 8.0590 8.0590 8.0620 8.0620 8.0692 8.0692 8.9133 8.9133 9.1764 9.1764 9.1768 9.1768 12.4861 12.4861 12.4881 12.4881 12.4882 12.4882 12.6675 12.6677 12.6685 12.6685 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -38.0396 -17.1187 -17.1187 -17.1187 -17.1187 -17.0860 -17.0860 -16.7499 -16.7499 -16.6149 -16.6149 -16.5369 -16.5369 -16.5369 -16.5369 -16.3159 -16.3159 -16.3159 -16.3159 -10.2268 -10.2268 -10.2268 -10.2268 -9.1998 -9.1998 -9.1887 -9.1887 -9.1887 -9.1887 4.2443 4.2443 6.4502 6.4502 8.0617 8.0617 8.0617 8.0617 8.0664 8.0664 8.9110 8.9110 9.1750 9.1750 9.1750 9.1750 12.4850 12.4850 12.4870 12.4870 12.4870 12.4870 12.6680 12.6680 12.6681 12.6684 Writing output data file Sc3SnB.save init_run : 0.31s CPU 0.68s WALL ( 1 calls) electrons : 314.02s CPU 319.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 314.01s CPU 319.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 269 calls) cegterg : 295.25s CPU 299.09s WALL ( 967 calls) Called by sum_band: Called by *egterg: h_psi : 127.53s CPU 129.58s WALL ( 18211 calls) s_psi : 9.37s CPU 9.35s WALL ( 18211 calls) g_psi : 0.36s CPU 0.36s WALL ( 16975 calls) cdiaghg : 139.12s CPU 141.37s WALL ( 17244 calls) cegterg:over : 9.64s CPU 9.97s WALL ( 16975 calls) cegterg:upda : 10.79s CPU 10.47s WALL ( 16975 calls) cegterg:last : 4.22s CPU 4.13s WALL ( 1830 calls) cdiaghg:chol : 7.58s CPU 7.78s WALL ( 17244 calls) cdiaghg:inve : 5.26s CPU 5.33s WALL ( 17244 calls) cdiaghg:para : 8.44s CPU 8.62s WALL ( 34488 calls) Called by h_psi: h_psi:vloc : 108.09s CPU 109.49s WALL ( 18211 calls) h_psi:vnl : 19.15s CPU 19.73s WALL ( 18211 calls) add_vuspsi : 10.60s CPU 10.89s WALL ( 18211 calls) General routines calbec : 8.48s CPU 8.78s WALL ( 18211 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.11s CPU 101.14s WALL ( 1293772 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.19s WALL ( 538 calls) Parallel routines fft_scatter : 36.77s CPU 36.99s WALL ( 1293795 calls) PWSCF : 5m29.06s CPU 5m59.22s WALL This run was terminated on: 16:11:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=