Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:54:41 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: ./Ba3SnO.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 44 13 2985 1351 213 Max 76 45 15 2992 1371 215 Sum 2733 1617 481 107591 49029 7689 bravais-lattice index = 14 lattice parameter (alat) = 10.2952 a.u. unit-cell volume = 1091.2087 (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 = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.295227 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 PseudoPot. # 3 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Sn 14.00 118.71000 Sn( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 107591 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 49029 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 348, 60) NL pseudopotentials 0.41 Mb ( 174, 153) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2990) G-vector shells 0.00 Mb ( 559) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.27 Mb ( 348, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.28 Mb ( 153, 2, 60) The potential is recalculated from file : ./Ba3SnO.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.3 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 15.0 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.6 secs Computing kpt #: 24 total cpu time spent up to now is 18.3 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.1 secs Computing kpt #: 27 total cpu time spent up to now is 21.1 secs Computing kpt #: 28 total cpu time spent up to now is 21.8 secs Computing kpt #: 29 total cpu time spent up to now is 22.5 secs Computing kpt #: 30 total cpu time spent up to now is 23.2 secs Computing kpt #: 31 total cpu time spent up to now is 23.9 secs Computing kpt #: 32 total cpu time spent up to now is 24.6 secs Computing kpt #: 33 total cpu time spent up to now is 25.3 secs Computing kpt #: 34 total cpu time spent up to now is 26.0 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.0 secs Computing kpt #: 38 total cpu time spent up to now is 28.7 secs Computing kpt #: 39 total cpu time spent up to now is 29.4 secs Computing kpt #: 40 total cpu time spent up to now is 30.1 secs Computing kpt #: 41 total cpu time spent up to now is 30.9 secs Computing kpt #: 42 total cpu time spent up to now is 31.6 secs Computing kpt #: 43 total cpu time spent up to now is 32.4 secs Computing kpt #: 44 total cpu time spent up to now is 33.1 secs Computing kpt #: 45 total cpu time spent up to now is 33.8 secs Computing kpt #: 46 total cpu time spent up to now is 34.5 secs Computing kpt #: 47 total cpu time spent up to now is 35.3 secs Computing kpt #: 48 total cpu time spent up to now is 35.9 secs Computing kpt #: 49 total cpu time spent up to now is 36.7 secs Computing kpt #: 50 total cpu time spent up to now is 37.4 secs Computing kpt #: 51 total cpu time spent up to now is 38.1 secs Computing kpt #: 52 total cpu time spent up to now is 38.8 secs Computing kpt #: 53 total cpu time spent up to now is 39.5 secs Computing kpt #: 54 total cpu time spent up to now is 40.2 secs Computing kpt #: 55 total cpu time spent up to now is 40.9 secs Computing kpt #: 56 total cpu time spent up to now is 41.5 secs Computing kpt #: 57 total cpu time spent up to now is 42.3 secs Computing kpt #: 58 total cpu time spent up to now is 43.0 secs Computing kpt #: 59 total cpu time spent up to now is 43.8 secs Computing kpt #: 60 total cpu time spent up to now is 44.5 secs Computing kpt #: 61 total cpu time spent up to now is 45.1 secs Computing kpt #: 62 total cpu time spent up to now is 45.8 secs Computing kpt #: 63 total cpu time spent up to now is 46.6 secs Computing kpt #: 64 total cpu time spent up to now is 47.4 secs Computing kpt #: 65 total cpu time spent up to now is 48.1 secs Computing kpt #: 66 total cpu time spent up to now is 48.8 secs Computing kpt #: 67 total cpu time spent up to now is 49.5 secs Computing kpt #: 68 total cpu time spent up to now is 50.2 secs Computing kpt #: 69 total cpu time spent up to now is 50.9 secs Computing kpt #: 70 total cpu time spent up to now is 51.6 secs Computing kpt #: 71 total cpu time spent up to now is 52.2 secs Computing kpt #: 72 total cpu time spent up to now is 52.9 secs Computing kpt #: 73 total cpu time spent up to now is 53.6 secs Computing kpt #: 74 total cpu time spent up to now is 54.2 secs Computing kpt #: 75 total cpu time spent up to now is 54.9 secs Computing kpt #: 76 total cpu time spent up to now is 55.6 secs Computing kpt #: 77 total cpu time spent up to now is 56.2 secs Computing kpt #: 78 total cpu time spent up to now is 56.8 secs Computing kpt #: 79 total cpu time spent up to now is 57.4 secs Computing kpt #: 80 total cpu time spent up to now is 58.1 secs Computing kpt #: 81 total cpu time spent up to now is 58.7 secs Computing kpt #: 82 total cpu time spent up to now is 59.3 secs Computing kpt #: 83 total cpu time spent up to now is 59.9 secs Computing kpt #: 84 total cpu time spent up to now is 60.5 secs Computing kpt #: 85 total cpu time spent up to now is 61.2 secs Computing kpt #: 86 total cpu time spent up to now is 61.8 secs Computing kpt #: 87 total cpu time spent up to now is 62.4 secs Computing kpt #: 88 total cpu time spent up to now is 63.0 secs Computing kpt #: 89 total cpu time spent up to now is 63.6 secs Computing kpt #: 90 total cpu time spent up to now is 64.2 secs Computing kpt #: 91 total cpu time spent up to now is 64.9 secs Computing kpt #: 92 total cpu time spent up to now is 65.5 secs Computing kpt #: 93 total cpu time spent up to now is 66.2 secs Computing kpt #: 94 total cpu time spent up to now is 66.8 secs Computing kpt #: 95 total cpu time spent up to now is 67.5 secs Computing kpt #: 96 total cpu time spent up to now is 68.2 secs Computing kpt #: 97 total cpu time spent up to now is 68.8 secs Computing kpt #: 98 total cpu time spent up to now is 69.5 secs Computing kpt #: 99 total cpu time spent up to now is 70.2 secs Computing kpt #: 100 total cpu time spent up to now is 70.9 secs Computing kpt #: 101 total cpu time spent up to now is 71.6 secs Computing kpt #: 102 total cpu time spent up to now is 72.2 secs Computing kpt #: 103 total cpu time spent up to now is 72.8 secs Computing kpt #: 104 total cpu time spent up to now is 73.5 secs Computing kpt #: 105 total cpu time spent up to now is 74.2 secs Computing kpt #: 106 total cpu time spent up to now is 74.8 secs Computing kpt #: 107 total cpu time spent up to now is 75.5 secs Computing kpt #: 108 total cpu time spent up to now is 76.2 secs Computing kpt #: 109 total cpu time spent up to now is 76.8 secs Computing kpt #: 110 total cpu time spent up to now is 77.5 secs Computing kpt #: 111 total cpu time spent up to now is 78.1 secs Computing kpt #: 112 total cpu time spent up to now is 78.8 secs Computing kpt #: 113 total cpu time spent up to now is 79.4 secs Computing kpt #: 114 total cpu time spent up to now is 80.1 secs Computing kpt #: 115 total cpu time spent up to now is 80.7 secs Computing kpt #: 116 total cpu time spent up to now is 81.3 secs Computing kpt #: 117 total cpu time spent up to now is 82.0 secs Computing kpt #: 118 total cpu time spent up to now is 82.6 secs Computing kpt #: 119 total cpu time spent up to now is 83.2 secs Computing kpt #: 120 total cpu time spent up to now is 83.9 secs Computing kpt #: 121 total cpu time spent up to now is 84.5 secs Computing kpt #: 122 total cpu time spent up to now is 85.2 secs Computing kpt #: 123 total cpu time spent up to now is 85.8 secs Computing kpt #: 124 total cpu time spent up to now is 86.5 secs Computing kpt #: 125 total cpu time spent up to now is 87.2 secs Computing kpt #: 126 total cpu time spent up to now is 87.9 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.3 secs Computing kpt #: 129 total cpu time spent up to now is 90.0 secs Computing kpt #: 130 total cpu time spent up to now is 90.7 secs Computing kpt #: 131 total cpu time spent up to now is 91.4 secs Computing kpt #: 132 total cpu time spent up to now is 92.1 secs Computing kpt #: 133 total cpu time spent up to now is 92.8 secs Computing kpt #: 134 total cpu time spent up to now is 93.6 secs Computing kpt #: 135 total cpu time spent up to now is 94.3 secs Computing kpt #: 136 total cpu time spent up to now is 95.0 secs Computing kpt #: 137 total cpu time spent up to now is 95.7 secs Computing kpt #: 138 total cpu time spent up to now is 96.4 secs Computing kpt #: 139 total cpu time spent up to now is 97.1 secs Computing kpt #: 140 total cpu time spent up to now is 97.8 secs Computing kpt #: 141 total cpu time spent up to now is 98.6 secs Computing kpt #: 142 total cpu time spent up to now is 99.3 secs Computing kpt #: 143 total cpu time spent up to now is 100.0 secs Computing kpt #: 144 total cpu time spent up to now is 100.7 secs Computing kpt #: 145 total cpu time spent up to now is 101.4 secs Computing kpt #: 146 total cpu time spent up to now is 102.1 secs Computing kpt #: 147 total cpu time spent up to now is 102.9 secs Computing kpt #: 148 total cpu time spent up to now is 103.7 secs Computing kpt #: 149 total cpu time spent up to now is 104.5 secs Computing kpt #: 150 total cpu time spent up to now is 105.4 secs Computing kpt #: 151 total cpu time spent up to now is 106.1 secs Computing kpt #: 152 total cpu time spent up to now is 106.8 secs Computing kpt #: 153 total cpu time spent up to now is 107.5 secs Computing kpt #: 154 total cpu time spent up to now is 108.3 secs Computing kpt #: 155 total cpu time spent up to now is 108.9 secs Computing kpt #: 156 total cpu time spent up to now is 109.6 secs Computing kpt #: 157 total cpu time spent up to now is 110.4 secs Computing kpt #: 158 total cpu time spent up to now is 111.1 secs Computing kpt #: 159 total cpu time spent up to now is 111.8 secs Computing kpt #: 160 total cpu time spent up to now is 112.5 secs Computing kpt #: 161 total cpu time spent up to now is 113.2 secs Computing kpt #: 162 total cpu time spent up to now is 113.9 secs Computing kpt #: 163 total cpu time spent up to now is 114.6 secs Computing kpt #: 164 total cpu time spent up to now is 115.4 secs Computing kpt #: 165 total cpu time spent up to now is 116.0 secs Computing kpt #: 166 total cpu time spent up to now is 116.8 secs Computing kpt #: 167 total cpu time spent up to now is 117.5 secs Computing kpt #: 168 total cpu time spent up to now is 118.2 secs Computing kpt #: 169 total cpu time spent up to now is 118.9 secs Computing kpt #: 170 total cpu time spent up to now is 119.6 secs Computing kpt #: 171 total cpu time spent up to now is 120.3 secs Computing kpt #: 172 total cpu time spent up to now is 121.0 secs Computing kpt #: 173 total cpu time spent up to now is 121.7 secs Computing kpt #: 174 total cpu time spent up to now is 122.5 secs Computing kpt #: 175 total cpu time spent up to now is 123.1 secs Computing kpt #: 176 total cpu time spent up to now is 123.8 secs Computing kpt #: 177 total cpu time spent up to now is 124.6 secs Computing kpt #: 178 total cpu time spent up to now is 125.3 secs Computing kpt #: 179 total cpu time spent up to now is 126.1 secs Computing kpt #: 180 total cpu time spent up to now is 126.9 secs Computing kpt #: 181 total cpu time spent up to now is 127.6 secs Computing kpt #: 182 total cpu time spent up to now is 128.3 secs Computing kpt #: 183 total cpu time spent up to now is 129.0 secs Computing kpt #: 184 total cpu time spent up to now is 129.8 secs Computing kpt #: 185 total cpu time spent up to now is 130.6 secs Computing kpt #: 186 total cpu time spent up to now is 131.3 secs Computing kpt #: 187 total cpu time spent up to now is 132.2 secs Computing kpt #: 188 total cpu time spent up to now is 133.8 secs Computing kpt #: 189 total cpu time spent up to now is 134.6 secs Computing kpt #: 190 total cpu time spent up to now is 135.3 secs Computing kpt #: 191 total cpu time spent up to now is 136.0 secs Computing kpt #: 192 total cpu time spent up to now is 136.8 secs Computing kpt #: 193 total cpu time spent up to now is 137.7 secs Computing kpt #: 194 total cpu time spent up to now is 138.5 secs Computing kpt #: 195 total cpu time spent up to now is 139.2 secs Computing kpt #: 196 total cpu time spent up to now is 139.9 secs Computing kpt #: 197 total cpu time spent up to now is 140.6 secs Computing kpt #: 198 total cpu time spent up to now is 141.3 secs Computing kpt #: 199 total cpu time spent up to now is 142.0 secs Computing kpt #: 200 total cpu time spent up to now is 142.6 secs Computing kpt #: 201 total cpu time spent up to now is 143.3 secs Computing kpt #: 202 total cpu time spent up to now is 144.0 secs Computing kpt #: 203 total cpu time spent up to now is 144.7 secs Computing kpt #: 204 total cpu time spent up to now is 145.4 secs Computing kpt #: 205 total cpu time spent up to now is 146.0 secs Computing kpt #: 206 total cpu time spent up to now is 146.7 secs Computing kpt #: 207 total cpu time spent up to now is 147.4 secs Computing kpt #: 208 total cpu time spent up to now is 148.1 secs Computing kpt #: 209 total cpu time spent up to now is 148.8 secs Computing kpt #: 210 total cpu time spent up to now is 149.5 secs Computing kpt #: 211 total cpu time spent up to now is 150.2 secs Computing kpt #: 212 total cpu time spent up to now is 150.9 secs Computing kpt #: 213 total cpu time spent up to now is 151.6 secs Computing kpt #: 214 total cpu time spent up to now is 152.3 secs Computing kpt #: 215 total cpu time spent up to now is 153.1 secs Computing kpt #: 216 total cpu time spent up to now is 153.8 secs Computing kpt #: 217 total cpu time spent up to now is 154.5 secs Computing kpt #: 218 total cpu time spent up to now is 155.2 secs Computing kpt #: 219 total cpu time spent up to now is 155.9 secs Computing kpt #: 220 total cpu time spent up to now is 156.6 secs Computing kpt #: 221 total cpu time spent up to now is 157.4 secs Computing kpt #: 222 total cpu time spent up to now is 158.2 secs Computing kpt #: 223 total cpu time spent up to now is 159.0 secs Computing kpt #: 224 total cpu time spent up to now is 159.7 secs Computing kpt #: 225 total cpu time spent up to now is 160.4 secs ethr = 2.00E-08, avg # of iterations = 19.0 total cpu time spent up to now is 160.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -19.0305 -19.0305 -18.7648 -18.7648 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3423 -8.3423 -5.8226 -5.8226 -5.8226 -5.8226 -5.2218 -5.2218 -4.2186 -4.2186 -3.7886 -3.7886 -3.7886 -3.7886 -3.4114 -3.4114 -3.0605 -3.0605 -3.0605 -3.0605 2.8053 2.8053 6.7048 6.7048 6.7048 6.7048 6.7500 6.7500 9.1694 9.1694 9.1694 9.1694 9.4938 9.4938 9.4990 9.4990 9.4990 9.4990 9.5393 9.5393 9.9508 9.9508 9.9508 9.9508 k = 0.0000 0.0172-0.0000 ( 6095 PWs) bands (ev): -19.0304 -19.0304 -18.7649 -18.7649 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3432 -8.3432 -5.8225 -5.8225 -5.8216 -5.8216 -5.2220 -5.2220 -4.2178 -4.2178 -3.7885 -3.7885 -3.7884 -3.7884 -3.4116 -3.4116 -3.0608 -3.0608 -3.0608 -3.0608 2.8067 2.8067 6.7017 6.7017 6.7044 6.7044 6.7483 6.7483 9.1577 9.1577 9.1721 9.1721 9.4667 9.4667 9.4905 9.4905 9.4990 9.4990 9.5750 9.5750 9.9505 9.9505 9.9566 9.9566 k = 0.0000 0.0345-0.0000 ( 6111 PWs) bands (ev): -19.0298 -19.0298 -18.7654 -18.7654 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3456 -8.3456 -5.8223 -5.8223 -5.8188 -5.8188 -5.2227 -5.2227 -4.2151 -4.2151 -3.7882 -3.7882 -3.7877 -3.7877 -3.4122 -3.4122 -3.0619 -3.0619 -3.0619 -3.0619 2.8108 2.8108 6.6918 6.6918 6.7032 6.7032 6.7442 6.7442 9.1236 9.1236 9.1802 9.1802 9.4238 9.4238 9.4789 9.4789 9.5013 9.5013 9.6271 9.6271 9.9508 9.9508 9.9733 9.9733 k = 0.0000 0.0517-0.0000 ( 6115 PWs) bands (ev): -19.0290 -19.0290 -18.7663 -18.7663 -18.7647 -18.7647 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3497 -8.3497 -5.8219 -5.8219 -5.8140 -5.8140 -5.2238 -5.2238 -4.2108 -4.2108 -3.7876 -3.7876 -3.7866 -3.7866 -3.4131 -3.4131 -3.0637 -3.0637 -3.0636 -3.0636 2.8176 2.8176 6.6736 6.6736 6.7012 6.7012 6.7393 6.7393 9.0702 9.0702 9.1938 9.1938 9.3821 9.3821 9.4603 9.4603 9.5059 9.5059 9.6807 9.6807 9.9553 9.9553 9.9998 9.9998 k = 0.0000 0.0690-0.0000 ( 6119 PWs) bands (ev): -19.0278 -19.0278 -18.7674 -18.7674 -18.7647 -18.7647 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3554 -8.3554 -5.8213 -5.8213 -5.8075 -5.8075 -5.2253 -5.2253 -4.2049 -4.2049 -3.7867 -3.7867 -3.7850 -3.7850 -3.4143 -3.4143 -3.0662 -3.0662 -3.0660 -3.0660 2.8271 2.8271 6.6466 6.6466 6.6985 6.6985 6.7346 6.7346 9.0014 9.0014 9.2127 9.2127 9.3408 9.3408 9.4364 9.4364 9.5124 9.5124 9.7330 9.7330 9.9684 9.9684 10.0347 10.0347 k = 0.0000 0.0862-0.0000 ( 6123 PWs) bands (ev): -19.0262 -19.0262 -18.7689 -18.7689 -18.7647 -18.7647 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3625 -8.3625 -5.8206 -5.8206 -5.7993 -5.7993 -5.2272 -5.2272 -4.1975 -4.1975 -3.7854 -3.7854 -3.7830 -3.7830 -3.4159 -3.4159 -3.0694 -3.0694 -3.0691 -3.0691 2.8392 2.8392 6.6114 6.6114 6.6951 6.6951 6.7301 6.7301 8.9209 8.9209 9.2369 9.2369 9.2987 9.2987 9.4088 9.4088 9.5207 9.5207 9.7824 9.7824 9.9934 9.9934 10.0769 10.0769 k = 0.0000 0.1034-0.0000 ( 6131 PWs) bands (ev): -19.0244 -19.0244 -18.7707 -18.7707 -18.7647 -18.7647 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3709 -8.3709 -5.8198 -5.8198 -5.7894 -5.7894 -5.2296 -5.2296 -4.1888 -4.1888 -3.7836 -3.7836 -3.7805 -3.7805 -3.4180 -3.4180 -3.0732 -3.0732 -3.0728 -3.0728 2.8538 2.8538 6.5688 6.5688 6.6911 6.6911 6.7256 6.7256 8.8319 8.8319 9.2556 9.2556 9.2663 9.2663 9.3784 9.3784 9.5309 9.5309 9.8281 9.8281 10.0318 10.0318 10.1254 10.1254 k = 0.0000 0.1207-0.0000 ( 6143 PWs) bands (ev): -19.0222 -19.0222 -18.7728 -18.7728 -18.7646 -18.7646 -11.4624 -11.4624 -11.4624 -11.4624 -10.4283 -10.4283 -10.4245 -10.4245 -10.4244 -10.4244 -8.3805 -8.3805 -5.8188 -5.8188 -5.7781 -5.7781 -5.2324 -5.2324 -4.1789 -4.1789 -3.7812 -3.7812 -3.7776 -3.7776 -3.4204 -3.4204 -3.0776 -3.0776 -3.0770 -3.0770 2.8707 2.8707 6.5197 6.5197 6.6865 6.6865 6.7210 6.7210 8.7368 8.7368 9.2117 9.2117 9.3009 9.3009 9.3461 9.3461 9.5428 9.5428 9.8713 9.8713 10.0829 10.0829 10.1796 10.1796 k = 0.0000 0.1379-0.0000 ( 6135 PWs) bands (ev): -19.0197 -19.0197 -18.7752 -18.7752 -18.7646 -18.7646 -11.4624 -11.4624 -11.4624 -11.4624 -10.4283 -10.4283 -10.4246 -10.4246 -10.4244 -10.4244 -8.3912 -8.3912 -5.8177 -5.8177 -5.7654 -5.7654 -5.2357 -5.2357 -4.1682 -4.1682 -3.7780 -3.7780 -3.7742 -3.7742 -3.4232 -3.4232 -3.0827 -3.0827 -3.0816 -3.0816 2.8898 2.8898 6.4652 6.4652 6.6815 6.6815 6.7161 6.7161 8.6377 8.6377 9.1674 9.1674 9.3126 9.3126 9.3405 9.3405 9.5564 9.5564 9.9143 9.9143 10.1441 10.1441 10.2391 10.2391 k = 0.0000 0.1552-0.0000 ( 6135 PWs) bands (ev): -19.0169 -19.0169 -18.7779 -18.7779 -18.7645 -18.7645 -11.4625 -11.4625 -11.4624 -11.4624 -10.4283 -10.4283 -10.4246 -10.4246 -10.4244 -10.4244 -8.4028 -8.4028 -5.8165 -5.8165 -5.7516 -5.7516 -5.2394 -5.2394 -4.1569 -4.1569 -3.7739 -3.7739 -3.7704 -3.7704 -3.4264 -3.4264 -3.0882 -3.0882 -3.0868 -3.0868 2.9110 2.9110 6.4062 6.4062 6.6760 6.6760 6.7111 6.7111 8.5360 8.5360 9.1233 9.1233 9.2783 9.2783 9.3850 9.3850 9.5716 9.5716 9.9590 9.9590 10.2132 10.2132 10.3037 10.3037 k = 0.0000 0.1724-0.0000 ( 6131 PWs) bands (ev): -19.0138 -19.0138 -18.7809 -18.7809 -18.7645 -18.7645 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4247 -10.4247 -10.4244 -10.4244 -8.4151 -8.4151 -5.8152 -5.8152 -5.7367 -5.7367 -5.2436 -5.2436 -4.1453 -4.1453 -3.7687 -3.7687 -3.7661 -3.7661 -3.4301 -3.4301 -3.0943 -3.0943 -3.0923 -3.0923 2.9340 2.9340 6.3434 6.3434 6.6703 6.6703 6.7059 6.7059 8.4333 8.4333 9.0798 9.0798 9.2438 9.2438 9.4341 9.4341 9.5884 9.5884 10.0069 10.0069 10.2884 10.2884 10.3730 10.3730 k = 0.0000 0.1897-0.0000 ( 6127 PWs) bands (ev): -19.0104 -19.0104 -18.7841 -18.7841 -18.7644 -18.7644 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4247 -10.4247 -10.4244 -10.4244 -8.4280 -8.4280 -5.8139 -5.8139 -5.7210 -5.7210 -5.2482 -5.2482 -4.1337 -4.1337 -3.7623 -3.7623 -3.7613 -3.7613 -3.4342 -3.4342 -3.1009 -3.1009 -3.0980 -3.0980 2.9587 2.9587 6.2780 6.2780 6.6643 6.6643 6.7005 6.7005 8.3305 8.3305 9.0371 9.0371 9.2092 9.2092 9.4878 9.4878 9.6067 9.6067 10.0586 10.0586 10.3687 10.3687 10.4471 10.4471 k = 0.0000 0.2069-0.0000 ( 6127 PWs) bands (ev): -19.0068 -19.0068 -18.7876 -18.7876 -18.7644 -18.7644 -11.4625 -11.4625 -11.4624 -11.4624 -10.4285 -10.4285 -10.4247 -10.4247 -10.4244 -10.4244 -8.4412 -8.4412 -5.8124 -5.8124 -5.7045 -5.7045 -5.2532 -5.2532 -4.1225 -4.1225 -3.7561 -3.7561 -3.7544 -3.7544 -3.4388 -3.4388 -3.1078 -3.1078 -3.1040 -3.1040 2.9849 2.9849 6.2106 6.2106 6.6581 6.6581 6.6951 6.6951 8.2287 8.2287 8.9956 8.9956 9.1750 9.1750 9.5458 9.5458 9.6264 9.6264 10.1145 10.1145 10.4535 10.4535 10.5257 10.5257 k = 0.0000 0.2241-0.0000 ( 6135 PWs) bands (ev): -19.0029 -19.0029 -18.7913 -18.7913 -18.7643 -18.7643 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4248 -10.4248 -10.4244 -10.4244 -8.4547 -8.4547 -5.8110 -5.8110 -5.6874 -5.6874 -5.2587 -5.2587 -4.1118 -4.1118 -3.7505 -3.7505 -3.7449 -3.7449 -3.4439 -3.4439 -3.1152 -3.1152 -3.1101 -3.1101 3.0122 3.0122 6.1423 6.1423 6.6519 6.6519 6.6897 6.6897 8.1286 8.1286 8.9555 8.9555 9.1413 9.1413 9.6074 9.6074 9.6477 9.6477 10.1748 10.1748 10.5424 10.5424 10.6088 10.6088 k = 0.0000 0.2414-0.0000 ( 6135 PWs) bands (ev): -18.9989 -18.9989 -18.7952 -18.7952 -18.7643 -18.7643 -11.4626 -11.4626 -11.4625 -11.4625 -10.4285 -10.4285 -10.4248 -10.4248 -10.4244 -10.4244 -8.4683 -8.4683 -5.8095 -5.8095 -5.6699 -5.6699 -5.2647 -5.2647 -4.1020 -4.1020 -3.7443 -3.7443 -3.7339 -3.7339 -3.4495 -3.4495 -3.1229 -3.1229 -3.1163 -3.1163 3.0403 3.0403 6.0737 6.0737 6.6457 6.6457 6.6843 6.6843 8.0308 8.0308 8.9169 8.9169 9.1085 9.1085 9.6643 9.6643 9.6786 9.6786 10.2395 10.2395 10.6352 10.6352 10.6961 10.6961 k = 0.0000 0.2586-0.0000 ( 6135 PWs) bands (ev): -18.9946 -18.9946 -18.7993 -18.7993 -18.7642 -18.7642 -11.4626 -11.4626 -11.4625 -11.4625 -10.4286 -10.4286 -10.4249 -10.4249 -10.4244 -10.4244 -8.4818 -8.4818 -5.8079 -5.8079 -5.6521 -5.6521 -5.2711 -5.2711 -4.0932 -4.0932 -3.7378 -3.7378 -3.7212 -3.7212 -3.4555 -3.4555 -3.1308 -3.1308 -3.1224 -3.1224 3.0691 3.0691 6.0058 6.0058 6.6396 6.6396 6.6790 6.6790 7.9361 7.9361 8.8801 8.8801 9.0768 9.0768 9.6903 9.6903 9.7445 9.7445 10.3084 10.3084 10.7317 10.7317 10.7877 10.7877 k = 0.0000 0.2759-0.0000 ( 6139 PWs) bands (ev): -18.9902 -18.9902 -18.8036 -18.8036 -18.7642 -18.7642 -11.4626 -11.4626 -11.4625 -11.4625 -10.4286 -10.4286 -10.4249 -10.4249 -10.4244 -10.4244 -8.4950 -8.4950 -5.8064 -5.8064 -5.6340 -5.6340 -5.2781 -5.2781 -4.0856 -4.0856 -3.7308 -3.7308 -3.7071 -3.7071 -3.4621 -3.4621 -3.1390 -3.1390 -3.1285 -3.1285 3.0982 3.0982 5.9391 5.9391 6.6336 6.6336 6.6739 6.6739 7.8450 7.8450 8.8452 8.8452 9.0465 9.0465 9.7141 9.7141 9.8164 9.8164 10.3816 10.3816 10.8318 10.8318 10.8834 10.8834 k = 0.0000 0.2931-0.0000 ( 6139 PWs) bands (ev): -18.9856 -18.9856 -18.8080 -18.8080 -18.7641 -18.7641 -11.4626 -11.4626 -11.4625 -11.4625 -10.4287 -10.4287 -10.4250 -10.4250 -10.4244 -10.4244 -8.5078 -8.5078 -5.8050 -5.8050 -5.6159 -5.6159 -5.2855 -5.2855 -4.0791 -4.0791 -3.7235 -3.7235 -3.6916 -3.6916 -3.4691 -3.4691 -3.1474 -3.1474 -3.1343 -3.1343 3.1272 3.1272 5.8745 5.8745 6.6279 6.6279 6.6690 6.6690 7.7581 7.7581 8.8123 8.8123 9.0176 9.0176 9.7382 9.7382 9.8910 9.8910 10.4590 10.4590 10.9353 10.9353 10.9830 10.9830 k = 0.0000 0.3103-0.0000 ( 6135 PWs) bands (ev): -18.9810 -18.9810 -18.8126 -18.8126 -18.7641 -18.7641 -11.4627 -11.4627 -11.4625 -11.4625 -10.4287 -10.4287 -10.4250 -10.4250 -10.4243 -10.4243 -8.5201 -8.5201 -5.8035 -5.8035 -5.5978 -5.5978 -5.2933 -5.2933 -4.0738 -4.0738 -3.7157 -3.7157 -3.6751 -3.6751 -3.4766 -3.4766 -3.1558 -3.1558 -3.1399 -3.1399 3.1558 3.1558 5.8127 5.8127 6.6224 6.6224 6.6644 6.6644 7.6757 7.6757 8.7816 8.7816 8.9903 8.9903 9.7624 9.7624 9.9676 9.9676 10.5403 10.5403 11.0422 11.0422 11.0864 11.0864 k = 0.0000 0.3276-0.0000 ( 6127 PWs) bands (ev): -18.9763 -18.9763 -18.8171 -18.8171 -18.7640 -18.7640 -11.4627 -11.4627 -11.4625 -11.4625 -10.4288 -10.4288 -10.4250 -10.4250 -10.4243 -10.4243 -8.5318 -8.5318 -5.8022 -5.8022 -5.5798 -5.5798 -5.3017 -5.3017 -4.0696 -4.0696 -3.7076 -3.7076 -3.6579 -3.6579 -3.4845 -3.4845 -3.1643 -3.1643 -3.1452 -3.1452 3.1837 3.1837 5.7541 5.7541 6.6172 6.6172 6.6601 6.6601 7.5985 7.5985 8.7532 8.7532 8.9649 8.9649 9.7865 9.7865 10.0452 10.0452 10.6254 10.6254 11.1522 11.1522 11.1933 11.1933 k = 0.0000 0.3448-0.0000 ( 6127 PWs) bands (ev): -18.9716 -18.9716 -18.8217 -18.8217 -18.7640 -18.7640 -11.4627 -11.4627 -11.4625 -11.4625 -10.4288 -10.4288 -10.4251 -10.4251 -10.4243 -10.4243 -8.5427 -8.5427 -5.8009 -5.8009 -5.5619 -5.5619 -5.3106 -5.3106 -4.0663 -4.0663 -3.6993 -3.6993 -3.6403 -3.6403 -3.4928 -3.4928 -3.1728 -3.1728 -3.1501 -3.1501 3.2104 3.2104 5.6994 5.6994 6.6124 6.6124 6.6561 6.6561 7.5268 7.5268 8.7271 8.7271 8.9415 8.9415 9.8101 9.8101 10.1231 10.1231 10.7142 10.7142 11.2653 11.2653 11.3037 11.3037 k = 0.0000 0.3621-0.0000 ( 6134 PWs) bands (ev): -18.9669 -18.9669 -18.8262 -18.8262 -18.7639 -18.7639 -11.4627 -11.4627 -11.4625 -11.4625 -10.4289 -10.4289 -10.4251 -10.4251 -10.4243 -10.4243 -8.5527 -8.5527 -5.7997 -5.7997 -5.5443 -5.5443 -5.3199 -5.3199 -4.0639 -4.0639 -3.6906 -3.6906 -3.6228 -3.6228 -3.5014 -3.5014 -3.1811 -3.1811 -3.1546 -3.1546 3.2356 3.2356 5.6491 5.6491 6.6081 6.6081 6.6524 6.6524 7.4611 7.4611 8.7035 8.7035 8.9203 8.9203 9.8330 9.8330 10.2001 10.2001 10.8064 10.8064 11.3813 11.3813 11.4171 11.4171 k = 0.0000 0.3793-0.0000 ( 6146 PWs) bands (ev): -18.9624 -18.9624 -18.8306 -18.8306 -18.7639 -18.7639 -11.4627 -11.4627 -11.4625 -11.4625 -10.4289 -10.4289 -10.4251 -10.4251 -10.4243 -10.4243 -8.5617 -8.5617 -5.7986 -5.7986 -5.5271 -5.5271 -5.3298 -5.3298 -4.0621 -4.0621 -3.6819 -3.6819 -3.6058 -3.6058 -3.5102 -3.5102 -3.1892 -3.1892 -3.1586 -3.1586 3.2589 3.2589 5.6036 5.6036 6.6041 6.6041 6.6492 6.6492 7.4019 7.4019 8.6825 8.6825 8.9012 8.9012 9.8547 9.8547 10.2750 10.2750 10.9017 10.9017 11.5001 11.5001 11.5330 11.5330 k = 0.0000 0.3966-0.0000 ( 6146 PWs) bands (ev): -18.9581 -18.9581 -18.8348 -18.8348 -18.7638 -18.7638 -11.4628 -11.4628 -11.4625 -11.4625 -10.4289 -10.4289 -10.4252 -10.4252 -10.4243 -10.4243 -8.5697 -8.5697 -5.7976 -5.7976 -5.5102 -5.5102 -5.3401 -5.3401 -4.0608 -4.0608 -3.6730 -3.6730 -3.5897 -3.5897 -3.5191 -3.5191 -3.1968 -3.1968 -3.1622 -3.1622 3.2800 3.2800 5.5634 5.5634 6.6007 6.6007 6.6464 6.6464 7.3496 7.3496 8.6641 8.6641 8.8845 8.8845 9.8748 9.8748 10.3462 10.3462 10.9997 10.9997 11.6212 11.6212 11.6480 11.6480 k = 0.0000 0.4138-0.0000 ( 6146 PWs) bands (ev): -18.9542 -18.9542 -18.8387 -18.8387 -18.7638 -18.7638 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5766 -8.5766 -5.7967 -5.7967 -5.4938 -5.4938 -5.3509 -5.3509 -4.0600 -4.0600 -3.6643 -3.6643 -3.5751 -3.5751 -3.5280 -3.5280 -3.2039 -3.2039 -3.1652 -3.1652 3.2985 3.2985 5.5288 5.5288 6.5977 6.5977 6.6440 6.6440 7.3046 7.3046 8.6484 8.6484 8.8702 8.8702 9.8928 9.8928 10.4119 10.4119 11.1000 11.1000 11.6951 11.6951 11.7440 11.7440 k = 0.0000 0.4310-0.0000 ( 6146 PWs) bands (ev): -18.9506 -18.9506 -18.8422 -18.8422 -18.7638 -18.7638 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5824 -8.5824 -5.7960 -5.7960 -5.4779 -5.4779 -5.3622 -5.3622 -4.0594 -4.0594 -3.6559 -3.6559 -3.5622 -3.5622 -3.5364 -3.5364 -3.2102 -3.2102 -3.1677 -3.1677 3.3141 3.3141 5.5001 5.5001 6.5952 6.5952 6.6420 6.6420 7.2672 7.2672 8.6355 8.6355 8.8584 8.8584 9.9084 9.9084 10.4701 10.4701 11.2018 11.2018 11.6687 11.6687 11.8661 11.8661 k = 0.0000 0.4483-0.0000 ( 6134 PWs) bands (ev): -18.9477 -18.9477 -18.8451 -18.8451 -18.7638 -18.7638 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5869 -8.5869 -5.7955 -5.7955 -5.4627 -5.4627 -5.3737 -5.3737 -4.0591 -4.0591 -3.6483 -3.6483 -3.5517 -3.5517 -3.5442 -3.5442 -3.2154 -3.2154 -3.1697 -3.1697 3.3265 3.3265 5.4775 5.4775 6.5933 6.5933 6.6405 6.6405 7.2377 7.2377 8.6254 8.6254 8.8492 8.8492 9.9210 9.9210 10.5185 10.5185 11.3035 11.3035 11.6446 11.6446 11.9617 11.9617 k = 0.0000 0.4655-0.0000 ( 6130 PWs) bands (ev): -18.9454 -18.9454 -18.8473 -18.8473 -18.7638 -18.7638 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5901 -8.5901 -5.7951 -5.7951 -5.4485 -5.4485 -5.3853 -5.3853 -4.0589 -4.0589 -3.6419 -3.6419 -3.5507 -3.5507 -3.5438 -3.5438 -3.2194 -3.2194 -3.1711 -3.1711 3.3356 3.3356 5.4612 5.4612 6.5919 6.5919 6.6394 6.6394 7.2165 7.2165 8.6182 8.6182 8.8426 8.8426 9.9303 9.9303 10.5551 10.5551 11.4020 11.4020 11.6267 11.6267 11.9105 11.9105 k = 0.0000 0.4828-0.0000 ( 6126 PWs) bands (ev): -18.9440 -18.9440 -18.8487 -18.8487 -18.7637 -18.7637 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5921 -8.5921 -5.7948 -5.7948 -5.4363 -5.4363 -5.3958 -5.3958 -4.0589 -4.0589 -3.6375 -3.6375 -3.5551 -3.5551 -3.5389 -3.5389 -3.2218 -3.2218 -3.1720 -3.1720 3.3411 3.3411 5.4514 5.4514 6.5911 6.5911 6.6388 6.6388 7.2037 7.2037 8.6138 8.6138 8.8386 8.8386 9.9360 9.9360 10.5779 10.5779 11.4877 11.4877 11.6157 11.6157 11.8297 11.8297 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.9435 -18.9435 -18.8492 -18.8492 -18.7637 -18.7637 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5927 -8.5927 -5.7947 -5.7947 -5.4304 -5.4304 -5.4012 -5.4012 -4.0588 -4.0588 -3.6359 -3.6359 -3.5567 -3.5567 -3.5373 -3.5373 -3.2227 -3.2227 -3.1722 -3.1722 3.3429 3.3429 5.4481 5.4481 6.5908 6.5908 6.6386 6.6386 7.1994 7.1994 8.6124 8.6124 8.8372 8.8372 9.9379 9.9379 10.5857 10.5857 11.5286 11.5286 11.6120 11.6120 11.7897 11.7897 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.9435 -18.9435 -18.8492 -18.8492 -18.7637 -18.7637 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5927 -8.5927 -5.7947 -5.7947 -5.4304 -5.4304 -5.4012 -5.4012 -4.0588 -4.0588 -3.6359 -3.6359 -3.5567 -3.5567 -3.5373 -3.5373 -3.2227 -3.2227 -3.1722 -3.1722 3.3429 3.3429 5.4481 5.4481 6.5908 6.5908 6.6386 6.6386 7.1994 7.1994 8.6124 8.6124 8.8372 8.8372 9.9379 9.9379 10.5857 10.5857 11.5286 11.5286 11.6120 11.6120 11.7897 11.7897 k = 0.0172 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.9434 -18.9434 -18.8492 -18.8492 -18.7639 -18.7639 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5935 -8.5935 -5.7942 -5.7942 -5.4325 -5.4325 -5.3991 -5.3991 -4.0578 -4.0578 -3.6378 -3.6378 -3.5602 -3.5602 -3.5318 -3.5318 -3.2226 -3.2226 -3.1725 -3.1725 3.3431 3.3431 5.4476 5.4476 6.5882 6.5882 6.6361 6.6361 7.2017 7.2017 8.6103 8.6103 8.8348 8.8348 9.9408 9.9408 10.5863 10.5863 11.5261 11.5261 11.6118 11.6118 11.7949 11.7949 k = 0.0345 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.9430 -18.9430 -18.8492 -18.8492 -18.7642 -18.7642 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5959 -8.5959 -5.7925 -5.7925 -5.4376 -5.4376 -5.3938 -5.3938 -4.0548 -4.0548 -3.6432 -3.6432 -3.5657 -3.5657 -3.5205 -3.5205 -3.2223 -3.2223 -3.1732 -3.1732 3.3438 3.3438 5.4461 5.4461 6.5793 6.5793 6.6300 6.6300 7.2087 7.2087 8.6043 8.6043 8.8274 8.8274 9.9496 9.9496 10.5880 10.5880 11.5186 11.5186 11.6108 11.6108 11.8102 11.8102 k = 0.0517 0.5000-0.0000 ( 6122 PWs) bands (ev): -18.9423 -18.9423 -18.8492 -18.8492 -18.7649 -18.7649 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5998 -8.5998 -5.7898 -5.7898 -5.4441 -5.4441 -5.3871 -5.3871 -4.0497 -4.0497 -3.6514 -3.6514 -3.5704 -3.5704 -3.5069 -3.5069 -3.2218 -3.2218 -3.1744 -3.1744 3.3448 3.3448 5.4436 5.4436 6.5618 6.5618 6.6227 6.6227 7.2201 7.2201 8.5945 8.5945 8.8155 8.8155 9.9641 9.9641 10.5910 10.5910 11.5065 11.5065 11.6092 11.6092 11.8355 11.8355 k = 0.0690 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.9413 -18.9413 -18.8491 -18.8491 -18.7657 -18.7657 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6053 -8.6053 -5.7860 -5.7860 -5.4511 -5.4511 -5.3797 -5.3797 -4.0428 -4.0428 -3.6614 -3.6614 -3.5741 -3.5741 -3.4923 -3.4923 -3.2212 -3.2212 -3.1760 -3.1760 3.3463 3.3463 5.4402 5.4402 6.5346 6.5346 6.6161 6.6161 7.2358 7.2358 8.5809 8.5809 8.7991 8.7991 9.9843 9.9843 10.5953 10.5953 11.4902 11.4902 11.6068 11.6068 11.8704 11.8704 k = 0.0862 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.9401 -18.9401 -18.8491 -18.8491 -18.7668 -18.7668 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6121 -8.6121 -5.7813 -5.7813 -5.4585 -5.4585 -5.3719 -5.3719 -4.0339 -4.0339 -3.6725 -3.6725 -3.5772 -3.5772 -3.4771 -3.4771 -3.2204 -3.2204 -3.1779 -3.1779 3.3482 3.3482 5.4359 5.4359 6.4982 6.4982 6.6101 6.6101 7.2556 7.2556 8.5640 8.5640 8.7790 8.7790 10.0102 10.0102 10.6011 10.6011 11.4700 11.4700 11.6039 11.6039 11.9142 11.9142 k = 0.1034 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.9386 -18.9386 -18.8491 -18.8491 -18.7682 -18.7682 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6202 -8.6202 -5.7758 -5.7758 -5.4659 -5.4659 -5.3638 -5.3638 -4.0233 -4.0233 -3.6841 -3.6841 -3.5798 -3.5798 -3.4616 -3.4616 -3.2195 -3.2195 -3.1800 -3.1800 3.3504 3.3504 5.4307 5.4307 6.4540 6.4540 6.6045 6.6045 7.2793 7.2793 8.5440 8.5440 8.7554 8.7554 10.0416 10.0416 10.6085 10.6085 11.4463 11.4463 11.6008 11.6008 11.9664 11.9664 k = 0.1207 0.5000-0.0000 ( 6150 PWs) bands (ev): -18.9368 -18.9368 -18.8490 -18.8490 -18.7697 -18.7697 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6295 -8.6295 -5.7695 -5.7695 -5.4735 -5.4735 -5.3557 -5.3557 -4.0109 -4.0109 -3.6958 -3.6958 -3.5823 -3.5823 -3.4462 -3.4462 -3.2185 -3.2185 -3.1822 -3.1822 3.3530 3.3530 5.4247 5.4247 6.4029 6.4029 6.5988 6.5988 7.3066 7.3066 8.5214 8.5214 8.7290 8.7290 10.0783 10.0783 10.6177 10.6177 11.4196 11.4196 11.5976 11.5976 12.0262 12.0262 k = 0.1379 0.5000-0.0000 ( 6142 PWs) bands (ev): -18.9348 -18.9348 -18.8490 -18.8490 -18.7716 -18.7716 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6399 -8.6399 -5.7626 -5.7626 -5.4810 -5.4810 -5.3475 -5.3475 -3.9971 -3.9971 -3.7073 -3.7073 -3.5847 -3.5847 -3.4310 -3.4310 -3.2176 -3.2176 -3.1842 -3.1842 3.3559 3.3559 5.4180 5.4180 6.3462 6.3462 6.5929 6.5929 7.3373 7.3373 8.4965 8.4965 8.7002 8.7002 10.1203 10.1203 10.6288 10.6288 11.3906 11.3906 11.5948 11.5948 12.0927 12.0927 k = 0.1552 0.5000-0.0000 ( 6150 PWs) bands (ev): -18.9325 -18.9325 -18.8489 -18.8489 -18.7736 -18.7736 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6511 -8.6511 -5.7552 -5.7552 -5.4885 -5.4885 -5.3393 -5.3393 -3.9818 -3.9818 -3.7184 -3.7184 -3.5871 -3.5871 -3.4163 -3.4163 -3.2169 -3.2169 -3.1858 -3.1858 3.3591 3.3591 5.4106 5.4106 6.2848 6.2848 6.5867 6.5867 7.3712 7.3712 8.4698 8.4698 8.6698 8.6698 10.1673 10.1673 10.6420 10.6420 11.3599 11.3599 11.5925 11.5925 12.1649 12.1649 k = 0.1724 0.5000-0.0000 ( 6142 PWs) bands (ev): -18.9300 -18.9300 -18.8488 -18.8488 -18.7759 -18.7759 -11.4628 -11.4628 -11.4625 -11.4625 -10.4289 -10.4289 -10.4252 -10.4252 -10.4243 -10.4243 -8.6631 -8.6631 -5.7474 -5.7474 -5.4960 -5.4960 -5.3310 -5.3310 -3.9654 -3.9654 -3.7291 -3.7291 -3.5895 -3.5895 -3.4023 -3.4023 -3.2166 -3.2166 -3.1864 -3.1864 3.3625 3.3625 5.4027 5.4027 6.2195 6.2195 6.5804 6.5804 7.4081 7.4081 8.4416 8.4416 8.6381 8.6381 10.2191 10.2191 10.6575 10.6575 11.3284 11.3284 11.5909 11.5909 12.2205 12.2205 k = 0.1897 0.5000-0.0000 ( 6142 PWs) bands (ev): -18.9272 -18.9272 -18.8487 -18.8487 -18.7783 -18.7783 -11.4628 -11.4628 -11.4624 -11.4624 -10.4289 -10.4289 -10.4252 -10.4252 -10.4242 -10.4242 -8.6756 -8.6756 -5.7393 -5.7393 -5.5034 -5.5034 -5.3229 -5.3229 -3.9481 -3.9481 -3.7390 -3.7390 -3.5920 -3.5920 -3.3894 -3.3894 -3.2168 -3.2168 -3.1859 -3.1859 3.3661 3.3661 5.3943 5.3943 6.1514 6.1514 6.5738 6.5738 7.4475 7.4475 8.4125 8.4125 8.6057 8.6057 10.2756 10.2756 10.6753 10.6753 11.2968 11.2968 11.5901 11.5901 12.2188 12.2188 k = 0.2069 0.5000-0.0000 ( 6144 PWs) bands (ev): -18.9243 -18.9243 -18.8487 -18.8487 -18.7810 -18.7810 -11.4628 -11.4628 -11.4624 -11.4624 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.6886 -8.6886 -5.7311 -5.7311 -5.5107 -5.5107 -5.3148 -5.3148 -3.9300 -3.9300 -3.7482 -3.7482 -3.5944 -3.5944 -3.3777 -3.3777 -3.2175 -3.2175 -3.1840 -3.1840 3.3699 3.3699 5.3856 5.3856 6.0813 6.0813 6.5672 6.5672 7.4893 7.4893 8.3828 8.3828 8.5729 8.5729 10.3364 10.3364 10.6955 10.6955 11.2658 11.2658 11.5899 11.5899 12.2185 12.2185 k = 0.2241 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.9211 -18.9211 -18.8486 -18.8486 -18.7839 -18.7839 -11.4628 -11.4628 -11.4624 -11.4624 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.7017 -8.7017 -5.7228 -5.7228 -5.5179 -5.5179 -5.3069 -5.3069 -3.9117 -3.9117 -3.7565 -3.7565 -3.5969 -3.5969 -3.3676 -3.3676 -3.2185 -3.2185 -3.1807 -3.1807 3.3738 3.3738 5.3766 5.3766 6.0101 6.0101 6.5605 6.5605 7.5330 7.5330 8.3530 8.3530 8.5404 8.5404 10.4013 10.4013 10.7181 10.7181 11.2362 11.2362 11.5905 11.5905 12.2189 12.2189 k = 0.2414 0.5000-0.0000 ( 6138 PWs) bands (ev): -18.9177 -18.9177 -18.8485 -18.8485 -18.7870 -18.7870 -11.4628 -11.4628 -11.4624 -11.4624 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.7150 -8.7150 -5.7145 -5.7145 -5.5250 -5.5250 -5.2992 -5.2992 -3.8934 -3.8934 -3.7636 -3.7636 -3.5993 -3.5993 -3.3592 -3.3592 -3.2195 -3.2195 -3.1760 -3.1760 3.3777 3.3777 5.3674 5.3674 5.9385 5.9385 6.5538 6.5538 7.5783 7.5783 8.3234 8.3234 8.5083 8.5083 10.4702 10.4702 10.7432 10.7432 11.2086 11.2086 11.5917 11.5917 12.2192 12.2192 k = 0.2586 0.5000-0.0000 ( 6140 PWs) bands (ev): -18.9141 -18.9141 -18.8484 -18.8484 -18.7903 -18.7903 -11.4628 -11.4628 -11.4623 -11.4623 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.7282 -8.7282 -5.7063 -5.7063 -5.5319 -5.5319 -5.2917 -5.2917 -3.8759 -3.8759 -3.7692 -3.7692 -3.6016 -3.6016 -3.3528 -3.3528 -3.2203 -3.2203 -3.1702 -3.1702 3.3817 3.3817 5.3582 5.3582 5.8675 5.8675 6.5472 6.5472 7.6246 7.6246 8.2943 8.2943 8.4771 8.4771 10.5426 10.5426 10.7707 10.7707 11.1835 11.1835 11.5934 11.5934 12.2183 12.2183 k = 0.2759 0.5000-0.0000 ( 6140 PWs) bands (ev): -18.9104 -18.9104 -18.8484 -18.8484 -18.7938 -18.7938 -11.4628 -11.4628 -11.4623 -11.4623 -10.4289 -10.4289 -10.4251 -10.4251 -10.4241 -10.4241 -8.7412 -8.7412 -5.6983 -5.6983 -5.5387 -5.5387 -5.2845 -5.2845 -3.8599 -3.8599 -3.7727 -3.7727 -3.6038 -3.6038 -3.3484 -3.3484 -3.2205 -3.2205 -3.1634 -3.1634 3.3856 3.3856 5.3491 5.3491 5.7978 5.7978 6.5408 6.5408 7.6715 7.6715 8.2662 8.2662 8.4470 8.4470 10.6182 10.6182 10.8004 10.8004 11.1615 11.1615 11.5956 11.5956 12.2149 12.2149 k = 0.2931 0.5000-0.0000 ( 6140 PWs) bands (ev): -18.9064 -18.9064 -18.8483 -18.8483 -18.7974 -18.7974 -11.4628 -11.4628 -11.4623 -11.4623 -10.4289 -10.4289 -10.4251 -10.4251 -10.4241 -10.4241 -8.7538 -8.7538 -5.6905 -5.6905 -5.5453 -5.5453 -5.2776 -5.2776 -3.8467 -3.8467 -3.7731 -3.7731 -3.6058 -3.6058 -3.3459 -3.3459 -3.2203 -3.2203 -3.1557 -3.1557 3.3895 3.3895 5.3401 5.3401 5.7300 5.7300 6.5346 6.5346 7.7185 7.7185 8.2393 8.2393 8.4184 8.4184 10.6968 10.6968 10.8321 10.8321 11.1429 11.1429 11.5981 11.5981 12.2078 12.2078 k = 0.3103 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.9024 -18.9024 -18.8482 -18.8482 -18.8012 -18.8012 -11.4628 -11.4628 -11.4623 -11.4623 -10.4289 -10.4289 -10.4251 -10.4251 -10.4241 -10.4241 -8.7660 -8.7660 -5.6829 -5.6829 -5.5518 -5.5518 -5.2711 -5.2711 -3.8376 -3.8376 -3.7694 -3.7694 -3.6075 -3.6075 -3.3451 -3.3451 -3.2196 -3.2196 -3.1473 -3.1473 3.3933 3.3933 5.3313 5.3313 5.6650 5.6650 6.5286 6.5286 7.7648 7.7648 8.2139 8.2139 8.3914 8.3914 10.7778 10.7778 10.8656 10.8656 11.1283 11.1283 11.6009 11.6009 12.1952 12.1952 k = 0.3276 0.5000-0.0000 ( 6132 PWs) bands (ev): -18.8981 -18.8981 -18.8481 -18.8481 -18.8052 -18.8052 -11.4628 -11.4628 -11.4622 -11.4622 -10.4289 -10.4289 -10.4251 -10.4251 -10.4240 -10.4240 -8.7775 -8.7775 -5.6756 -5.6756 -5.5580 -5.5580 -5.2651 -5.2651 -3.8330 -3.8330 -3.7616 -3.7616 -3.6088 -3.6088 -3.3458 -3.3458 -3.2186 -3.2186 -3.1386 -3.1386 3.3969 3.3969 5.3230 5.3230 5.6034 5.6034 6.5231 6.5231 7.8098 7.8098 8.1903 8.1903 8.3664 8.3664 10.8606 10.8606 10.9007 10.9007 11.1180 11.1180 11.6037 11.6037 12.1761 12.1761 k = 0.3448 0.5000-0.0000 ( 6138 PWs) bands (ev): -18.8938 -18.8938 -18.8481 -18.8481 -18.8093 -18.8093 -11.4628 -11.4628 -11.4622 -11.4622 -10.4289 -10.4289 -10.4251 -10.4251 -10.4240 -10.4240 -8.7882 -8.7882 -5.6686 -5.6686 -5.5641 -5.5641 -5.2594 -5.2594 -3.8318 -3.8318 -3.7511 -3.7511 -3.6096 -3.6096 -3.3476 -3.3476 -3.2173 -3.2173 -3.1297 -3.1297 3.4003 3.4003 5.3150 5.3150 5.5457 5.5457 6.5179 6.5179 7.8528 7.8528 8.1688 8.1688 8.3436 8.3436 10.9330 10.9330 10.9483 10.9483 11.1125 11.1125 11.6065 11.6065 12.1495 12.1495 k = 0.3621 0.5000-0.0000 ( 6134 PWs) bands (ev): -18.8893 -18.8893 -18.8480 -18.8480 -18.8135 -18.8135 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.7981 -8.7981 -5.6620 -5.6620 -5.5699 -5.5699 -5.2543 -5.2543 -3.8323 -3.8323 -3.7397 -3.7397 -3.6099 -3.6099 -3.3502 -3.3502 -3.2158 -3.2158 -3.1210 -3.1210 3.4034 3.4034 5.3076 5.3076 5.4925 5.4925 6.5131 6.5131 7.8928 7.8928 8.1496 8.1496 8.3231 8.3231 10.9700 10.9700 11.0311 11.0311 11.1131 11.1131 11.6092 11.6092 12.1153 12.1153 k = 0.3793 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.8848 -18.8848 -18.8479 -18.8479 -18.8179 -18.8179 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.8071 -8.8071 -5.6556 -5.6556 -5.5755 -5.5755 -5.2497 -5.2497 -3.8337 -3.8337 -3.7287 -3.7287 -3.6096 -3.6096 -3.3533 -3.3533 -3.2143 -3.2143 -3.1126 -3.1126 3.4063 3.4063 5.3008 5.3008 5.4445 5.4445 6.5088 6.5088 7.9290 7.9290 8.1333 8.1333 8.3051 8.3051 11.0044 11.0044 11.0995 11.0995 11.1354 11.1354 11.6116 11.6116 12.0742 12.0742 k = 0.3966 0.5000-0.0000 ( 6142 PWs) bands (ev): -18.8801 -18.8801 -18.8479 -18.8479 -18.8223 -18.8223 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8150 -8.8150 -5.6496 -5.6496 -5.5809 -5.5809 -5.2456 -5.2456 -3.8354 -3.8354 -3.7189 -3.7189 -3.6087 -3.6087 -3.3566 -3.3566 -3.2129 -3.2129 -3.1049 -3.1049 3.4089 3.4089 5.2946 5.2946 5.4020 5.4020 6.5050 6.5050 7.9602 7.9602 8.1202 8.1202 8.2898 8.2898 11.0361 11.0361 11.1183 11.1183 11.2125 11.2125 11.6137 11.6137 12.0280 12.0280 k = 0.4138 0.5000-0.0000 ( 6138 PWs) bands (ev): -18.8754 -18.8754 -18.8478 -18.8478 -18.8269 -18.8269 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8219 -8.8219 -5.6440 -5.6440 -5.5861 -5.5861 -5.2421 -5.2421 -3.8370 -3.8370 -3.7106 -3.7106 -3.6072 -3.6072 -3.3599 -3.3599 -3.2116 -3.2116 -3.0979 -3.0979 3.4111 3.4111 5.2891 5.2891 5.3655 5.3655 6.5018 6.5018 7.9853 7.9853 8.1109 8.1109 8.2774 8.2774 11.0638 11.0638 11.1335 11.1335 11.2972 11.2972 11.6153 11.6153 11.9794 11.9794 k = 0.4310 0.5000-0.0000 ( 6148 PWs) bands (ev): -18.8707 -18.8707 -18.8478 -18.8478 -18.8315 -18.8315 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8275 -8.8275 -5.6387 -5.6387 -5.5910 -5.5910 -5.2393 -5.2393 -3.8385 -3.8385 -3.7041 -3.7041 -3.6054 -3.6054 -3.3629 -3.3629 -3.2104 -3.2104 -3.0920 -3.0920 3.4130 3.4130 5.2840 5.2840 5.3357 5.3357 6.4991 6.4991 8.0033 8.0033 8.1060 8.1060 8.2678 8.2678 11.0866 11.0866 11.1515 11.1515 11.3807 11.3807 11.6166 11.6166 11.9322 11.9322 k = 0.4483 0.5000-0.0000 ( 6144 PWs) bands (ev): -18.8659 -18.8659 -18.8478 -18.8478 -18.8361 -18.8361 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8320 -8.8320 -5.6339 -5.6339 -5.5955 -5.5955 -5.2370 -5.2370 -3.8397 -3.8397 -3.6992 -3.6992 -3.6035 -3.6035 -3.3655 -3.3655 -3.2095 -3.2095 -3.0872 -3.0872 3.4144 3.4144 5.2791 5.2791 5.3130 5.3130 6.4969 6.4969 8.0143 8.0143 8.1051 8.1051 8.2610 8.2610 11.1047 11.1047 11.1702 11.1702 11.4598 11.4598 11.6181 11.6181 11.8902 11.8902 k = 0.4655 0.5000-0.0000 ( 6136 PWs) bands (ev): -18.8612 -18.8612 -18.8477 -18.8477 -18.8407 -18.8407 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8352 -8.8352 -5.6297 -5.6297 -5.5995 -5.5995 -5.2354 -5.2354 -3.8405 -3.8405 -3.6959 -3.6959 -3.6018 -3.6018 -3.3674 -3.3674 -3.2088 -3.2088 -3.0837 -3.0837 3.4155 3.4155 5.2740 5.2740 5.2983 5.2983 6.4954 6.4954 8.0197 8.0197 8.1066 8.1066 8.2566 8.2566 11.1181 11.1181 11.1864 11.1864 11.5294 11.5294 11.6215 11.6215 11.8576 11.8576 k = 0.4828 0.5000-0.0000 ( 6152 PWs) bands (ev): -18.8568 -18.8568 -18.8477 -18.8477 -18.8451 -18.8451 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8372 -8.8372 -5.6266 -5.6266 -5.6024 -5.6024 -5.2344 -5.2344 -3.8410 -3.8410 -3.6940 -3.6940 -3.6006 -3.6006 -3.3687 -3.3687 -3.2084 -3.2084 -3.0816 -3.0816 3.4161 3.4161 5.2693 5.2693 5.2910 5.2910 6.4945 6.4945 8.0218 8.0218 8.1085 8.1085 8.2542 8.2542 11.1267 11.1267 11.1974 11.1974 11.5755 11.5755 11.6333 11.6333 11.8388 11.8388 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -18.8542 -18.8542 -18.8478 -18.8478 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8378 -8.8378 -5.6254 -5.6254 -5.6036 -5.6036 -5.2341 -5.2341 -3.8412 -3.8412 -3.6934 -3.6934 -3.6002 -3.6002 -3.3691 -3.3691 -3.2082 -3.2082 -3.0808 -3.0808 3.4163 3.4163 5.2673 5.2673 5.2889 5.2889 6.4942 6.4942 8.0223 8.0223 8.1093 8.1093 8.2535 8.2535 11.1296 11.1296 11.2013 11.2013 11.5877 11.5877 11.6456 11.6456 11.8364 11.8364 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -18.8542 -18.8542 -18.8478 -18.8478 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8378 -8.8378 -5.6254 -5.6254 -5.6036 -5.6036 -5.2341 -5.2341 -3.8412 -3.8412 -3.6934 -3.6934 -3.6002 -3.6002 -3.3691 -3.3691 -3.2082 -3.2082 -3.0808 -3.0808 3.4163 3.4163 5.2673 5.2673 5.2889 5.2889 6.4942 6.4942 8.0223 8.0223 8.1093 8.1093 8.2535 8.2535 11.1296 11.1296 11.2013 11.2013 11.5877 11.5877 11.6456 11.6456 11.8364 11.8364 k = 0.4878 0.4878-0.0000 ( 6150 PWs) bands (ev): -18.8568 -18.8568 -18.8476 -18.8476 -18.8452 -18.8452 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8372 -8.8372 -5.6266 -5.6266 -5.6024 -5.6024 -5.2344 -5.2344 -3.8410 -3.8410 -3.6940 -3.6940 -3.6006 -3.6006 -3.3687 -3.3687 -3.2084 -3.2084 -3.0816 -3.0816 3.4161 3.4161 5.2694 5.2694 5.2909 5.2909 6.4945 6.4945 8.0218 8.0218 8.1085 8.1085 8.2542 8.2542 11.1263 11.1263 11.1977 11.1977 11.5770 11.5770 11.6313 11.6313 11.8383 11.8383 k = 0.4756 0.4756-0.0000 ( 6136 PWs) bands (ev): -18.8614 -18.8614 -18.8473 -18.8473 -18.8411 -18.8411 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8352 -8.8352 -5.6296 -5.6296 -5.5995 -5.5995 -5.2354 -5.2354 -3.8405 -3.8405 -3.6958 -3.6958 -3.6019 -3.6019 -3.3674 -3.3674 -3.2088 -3.2088 -3.0837 -3.0837 3.4155 3.4155 5.2755 5.2755 5.2967 5.2967 6.4954 6.4954 8.0200 8.0200 8.1064 8.1064 8.2565 8.2565 11.1132 11.1132 11.1912 11.1912 11.5433 11.5433 11.6035 11.6035 11.8555 11.8555 k = 0.4634 0.4634-0.0000 ( 6140 PWs) bands (ev): -18.8664 -18.8664 -18.8467 -18.8467 -18.8368 -18.8368 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8320 -8.8320 -5.6337 -5.6337 -5.5957 -5.5957 -5.2370 -5.2370 -3.8397 -3.8397 -3.6988 -3.6988 -3.6039 -3.6039 -3.3654 -3.3654 -3.2096 -3.2096 -3.0871 -3.0871 3.4143 3.4143 5.2857 5.2857 5.3066 5.3066 6.4969 6.4969 8.0160 8.0160 8.1041 8.1041 8.2607 8.2607 11.0849 11.0849 11.1893 11.1893 11.4930 11.4930 11.5709 11.5709 11.8871 11.8871 k = 0.4512 0.4512-0.0000 ( 6132 PWs) bands (ev): -18.8716 -18.8716 -18.8458 -18.8458 -18.8325 -18.8325 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8275 -8.8275 -5.6383 -5.6383 -5.5915 -5.5915 -5.2392 -5.2392 -3.8385 -3.8385 -3.7029 -3.7029 -3.6067 -3.6067 -3.3627 -3.3627 -3.2107 -3.2107 -3.0916 -3.0916 3.4126 3.4126 5.2996 5.2996 5.3204 5.3204 6.4991 6.4991 8.0086 8.0086 8.1029 8.1029 8.2670 8.2670 11.0420 11.0420 11.1941 11.1941 11.4364 11.4364 11.5305 11.5305 11.9305 11.9305 k = 0.4390 0.4390-0.0000 ( 6134 PWs) bands (ev): -18.8770 -18.8770 -18.8448 -18.8448 -18.8284 -18.8284 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8217 -8.8217 -5.6432 -5.6432 -5.5871 -5.5871 -5.2420 -5.2420 -3.8372 -3.8372 -3.7081 -3.7081 -3.6102 -3.6102 -3.3595 -3.3595 -3.2123 -3.2123 -3.0971 -3.0971 3.4103 3.4103 5.3170 5.3170 5.3384 5.3384 6.5018 6.5018 7.9969 7.9969 8.1044 8.1044 8.2757 8.2757 10.9885 10.9885 11.2034 11.2034 11.3785 11.3785 11.4813 11.4813 11.9830 11.9830 k = 0.4268 0.4268-0.0000 ( 6130 PWs) bands (ev): -18.8824 -18.8824 -18.8435 -18.8435 -18.8244 -18.8244 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8147 -8.8147 -5.6484 -5.6484 -5.5829 -5.5829 -5.2452 -5.2452 -3.8357 -3.8357 -3.7141 -3.7141 -3.6144 -3.6144 -3.3560 -3.3560 -3.2145 -3.2145 -3.1030 -3.1030 3.4073 3.4073 5.3377 5.3377 5.3606 5.3606 6.5051 6.5051 7.9810 7.9810 8.1089 8.1089 8.2869 8.2869 10.9278 10.9278 11.2157 11.2157 11.3211 11.3211 11.4242 11.4242 12.0415 12.0415 k = 0.4146 0.4146-0.0000 ( 6134 PWs) bands (ev): -18.8880 -18.8880 -18.8420 -18.8420 -18.8206 -18.8206 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.8065 -8.8065 -5.6537 -5.6537 -5.5788 -5.5788 -5.2490 -5.2490 -3.8341 -3.8341 -3.7209 -3.7209 -3.6192 -3.6192 -3.3523 -3.3523 -3.2172 -3.2172 -3.1092 -3.1092 3.4034 3.4034 5.3614 5.3614 5.3869 5.3869 6.5089 6.5089 7.9621 7.9621 8.1165 8.1165 8.3007 8.3007 10.8621 10.8621 11.2285 11.2285 11.2660 11.2660 11.3610 11.3610 12.1025 12.1025 k = 0.4024 0.4024-0.0000 ( 6142 PWs) bands (ev): -18.8937 -18.8937 -18.8403 -18.8403 -18.8169 -18.8169 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.7971 -8.7971 -5.6591 -5.6591 -5.5750 -5.5750 -5.2530 -5.2530 -3.8327 -3.8327 -3.7282 -3.7282 -3.6246 -3.6246 -3.3487 -3.3487 -3.2206 -3.2206 -3.1152 -3.1152 3.3985 3.3985 5.3881 5.3881 5.4171 5.4171 6.5133 6.5133 7.9415 7.9415 8.1267 8.1267 8.3169 8.3169 10.7930 10.7930 11.2074 11.2074 11.2440 11.2440 11.2960 11.2960 12.1616 12.1616 k = 0.3902 0.3902-0.0000 ( 6134 PWs) bands (ev): -18.8994 -18.8994 -18.8384 -18.8384 -18.8134 -18.8134 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.7867 -8.7867 -5.6647 -5.6647 -5.5716 -5.5716 -5.2574 -5.2574 -3.8317 -3.8317 -3.7358 -3.7358 -3.6305 -3.6305 -3.3456 -3.3456 -3.2245 -3.2245 -3.1206 -3.1206 3.3925 3.3925 5.4176 5.4176 5.4511 5.4511 6.5183 6.5183 7.9205 7.9205 8.1392 8.1392 8.3355 8.3355 10.7216 10.7216 11.1555 11.1555 11.2097 11.2097 11.2721 11.2721 12.2124 12.2124 k = 0.3780 0.3780-0.0000 ( 6120 PWs) bands (ev): -18.9052 -18.9052 -18.8363 -18.8363 -18.8100 -18.8100 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4240 -10.4240 -8.7751 -8.7751 -5.6704 -5.6704 -5.5688 -5.5688 -5.2618 -5.2618 -3.8314 -3.8314 -3.7433 -3.7433 -3.6369 -3.6369 -3.3434 -3.3434 -3.2286 -3.2286 -3.1251 -3.1251 3.3853 3.3853 5.4500 5.4500 5.4885 5.4885 6.5237 6.5237 7.9005 7.9005 8.1537 8.1537 8.3565 8.3565 10.6489 10.6489 11.1039 11.1039 11.1370 11.1370 11.2842 11.2842 12.2467 12.2467 k = 0.3659 0.3659-0.0000 ( 6116 PWs) bands (ev): -18.9111 -18.9111 -18.8341 -18.8341 -18.8067 -18.8067 -11.4628 -11.4628 -11.4622 -11.4622 -10.4288 -10.4288 -10.4251 -10.4251 -10.4241 -10.4241 -8.7625 -8.7625 -5.6763 -5.6763 -5.5667 -5.5667 -5.2662 -5.2662 -3.8323 -3.8323 -3.7503 -3.7503 -3.6436 -3.6436 -3.3425 -3.3425 -3.2325 -3.2325 -3.1285 -3.1285 3.3766 3.3766 5.4851 5.4851 5.5290 5.5290 6.5295 6.5295 7.8825 7.8825 8.1699 8.1699 8.3797 8.3797 10.5755 10.5755 11.0486 11.0486 11.0650 11.0650 11.2972 11.2972 12.2545 12.2545 k = 0.3537 0.3537-0.0000 ( 6122 PWs) bands (ev): -18.9170 -18.9170 -18.8316 -18.8316 -18.8036 -18.8036 -11.4628 -11.4628 -11.4623 -11.4623 -10.4288 -10.4288 -10.4251 -10.4251 -10.4241 -10.4241 -8.7490 -8.7490 -5.6822 -5.6822 -5.5655 -5.5655 -5.2705 -5.2705 -3.8351 -3.8351 -3.7561 -3.7561 -3.6508 -3.6508 -3.3435 -3.3435 -3.2355 -3.2355 -3.1308 -3.1308 3.3665 3.3665 5.5228 5.5228 5.5723 5.5723 6.5358 6.5358 7.8676 7.8676 8.1878 8.1878 8.4049 8.4049 10.5020 10.5020 10.9741 10.9741 11.0121 11.0121 11.3076 11.3076 12.2286 12.2286 k = 0.3415 0.3415-0.0000 ( 6128 PWs) bands (ev): -18.9229 -18.9229 -18.8291 -18.8291 -18.8007 -18.8007 -11.4628 -11.4628 -11.4623 -11.4623 -10.4288 -10.4288 -10.4251 -10.4251 -10.4241 -10.4241 -8.7345 -8.7345 -5.6883 -5.6883 -5.5653 -5.5653 -5.2745 -5.2745 -3.8402 -3.8402 -3.7604 -3.7604 -3.6582 -3.6582 -3.3467 -3.3467 -3.2370 -3.2370 -3.1320 -3.1320 3.3547 3.3547 5.5630 5.5630 5.6181 5.6181 6.5425 6.5425 7.8566 7.8566 8.2073 8.2073 8.4321 8.4321 10.4289 10.4289 10.8935 10.8935 10.9660 10.9660 11.3139 11.3139 12.1688 12.1688 k = 0.3293 0.3293-0.0000 ( 6128 PWs) bands (ev): -18.9288 -18.9288 -18.8264 -18.8264 -18.7978 -18.7978 -11.4628 -11.4628 -11.4623 -11.4623 -10.4288 -10.4288 -10.4251 -10.4251 -10.4242 -10.4242 -8.7193 -8.7193 -5.6945 -5.6945 -5.5664 -5.5664 -5.2779 -5.2779 -3.8479 -3.8479 -3.7628 -3.7628 -3.6659 -3.6659 -3.3522 -3.3522 -3.2367 -3.2367 -3.1322 -3.1322 3.3412 3.3412 5.6056 5.6056 5.6661 5.6661 6.5496 6.5496 7.8502 7.8502 8.2282 8.2282 8.4612 8.4612 10.3565 10.3565 10.8121 10.8121 10.9223 10.9223 11.3145 11.3145 12.0820 12.0820 k = 0.3171 0.3171-0.0000 ( 6126 PWs) bands (ev): -18.9347 -18.9347 -18.8235 -18.8235 -18.7952 -18.7952 -11.4628 -11.4628 -11.4623 -11.4623 -10.4288 -10.4288 -10.4250 -10.4250 -10.4242 -10.4242 -8.7032 -8.7032 -5.7007 -5.7007 -5.5688 -5.5688 -5.2808 -5.2808 -3.8580 -3.8580 -3.7637 -3.7637 -3.6737 -3.6737 -3.3595 -3.3595 -3.2344 -3.2344 -3.1316 -3.1316 3.3259 3.3259 5.6504 5.6504 5.7160 5.7160 6.5570 6.5570 7.8491 7.8491 8.2505 8.2505 8.4921 8.4921 10.2852 10.2852 10.7307 10.7307 10.8801 10.8801 11.3084 11.3084 11.9767 11.9767 k = 0.3049 0.3049-0.0000 ( 6126 PWs) bands (ev): -18.9406 -18.9406 -18.8206 -18.8206 -18.7926 -18.7926 -11.4628 -11.4628 -11.4623 -11.4623 -10.4288 -10.4288 -10.4250 -10.4250 -10.4242 -10.4242 -8.6865 -8.6865 -5.7071 -5.7071 -5.5726 -5.5726 -5.2828 -5.2828 -3.8703 -3.8703 -3.7633 -3.7633 -3.6816 -3.6816 -3.3682 -3.3682 -3.2305 -3.2305 -3.1302 -3.1302 3.3089 3.3089 5.6973 5.6973 5.7674 5.7674 6.5647 6.5647 7.8538 7.8538 8.2742 8.2742 8.5246 8.5246 10.2152 10.2152 10.6498 10.6498 10.8394 10.8394 11.2947 11.2947 11.8595 11.8595 k = 0.2927 0.2927-0.0000 ( 6128 PWs) bands (ev): -18.9464 -18.9464 -18.8176 -18.8176 -18.7902 -18.7902 -11.4628 -11.4628 -11.4624 -11.4624 -10.4288 -10.4288 -10.4250 -10.4250 -10.4242 -10.4242 -8.6692 -8.6692 -5.7135 -5.7135 -5.5779 -5.5779 -5.2841 -5.2841 -3.8843 -3.8843 -3.7623 -3.7623 -3.6895 -3.6895 -3.3775 -3.3775 -3.2253 -3.2253 -3.1282 -3.1282 3.2901 3.2901 5.7460 5.7460 5.8201 5.8201 6.5727 6.5727 7.8646 7.8646 8.2994 8.2994 8.5585 8.5585 10.1467 10.1467 10.5700 10.5700 10.7998 10.7998 11.2729 11.2729 11.7352 11.7352 k = 0.2805 0.2805-0.0000 ( 6124 PWs) bands (ev): -18.9522 -18.9522 -18.8145 -18.8145 -18.7880 -18.7880 -11.4627 -11.4627 -11.4624 -11.4624 -10.4288 -10.4288 -10.4250 -10.4250 -10.4243 -10.4243 -8.6514 -8.6514 -5.7200 -5.7200 -5.5848 -5.5848 -5.2844 -5.2844 -3.8997 -3.8997 -3.7609 -3.7609 -3.6974 -3.6974 -3.3868 -3.3868 -3.2191 -3.2191 -3.1257 -3.1257 3.2696 3.2696 5.7963 5.7963 5.8738 5.8738 6.5809 6.5809 7.8819 7.8819 8.3259 8.3259 8.5939 8.5939 10.0800 10.0800 10.4916 10.4916 10.7611 10.7611 11.2426 11.2426 11.6069 11.6069 k = 0.2683 0.2683-0.0000 ( 6120 PWs) bands (ev): -18.9579 -18.9579 -18.8114 -18.8114 -18.7858 -18.7858 -11.4627 -11.4627 -11.4624 -11.4624 -10.4288 -10.4288 -10.4250 -10.4250 -10.4243 -10.4243 -8.6331 -8.6331 -5.7265 -5.7265 -5.5931 -5.5931 -5.2839 -5.2839 -3.9162 -3.9162 -3.7594 -3.7594 -3.7052 -3.7052 -3.3958 -3.3958 -3.2121 -3.2121 -3.1227 -3.1227 3.2475 3.2475 5.8481 5.8481 5.9281 5.9281 6.5892 6.5892 7.9058 7.9058 8.3539 8.3539 8.6305 8.6305 10.0151 10.0151 10.4148 10.4148 10.7229 10.7229 11.2040 11.2040 11.4770 11.4770 k = 0.2561 0.2561-0.0000 ( 6126 PWs) bands (ev): -18.9635 -18.9635 -18.8082 -18.8082 -18.7838 -18.7838 -11.4627 -11.4627 -11.4624 -11.4624 -10.4287 -10.4287 -10.4250 -10.4250 -10.4243 -10.4243 -8.6146 -8.6146 -5.7331 -5.7331 -5.6028 -5.6028 -5.2826 -5.2826 -3.9337 -3.9337 -3.7582 -3.7582 -3.7128 -3.7128 -3.4040 -3.4040 -3.2045 -3.2045 -3.1195 -3.1195 3.2240 3.2240 5.9010 5.9010 5.9827 5.9827 6.5977 6.5977 7.9365 7.9365 8.3833 8.3833 8.6682 8.6682 9.9523 9.9523 10.3400 10.3400 10.6850 10.6850 11.1576 11.1576 11.3472 11.3472 k = 0.2439 0.2439-0.0000 ( 6126 PWs) bands (ev): -18.9689 -18.9689 -18.8050 -18.8050 -18.7819 -18.7819 -11.4627 -11.4627 -11.4624 -11.4624 -10.4287 -10.4287 -10.4249 -10.4249 -10.4243 -10.4243 -8.5958 -8.5958 -5.7396 -5.7396 -5.6138 -5.6138 -5.2805 -5.2805 -3.9519 -3.9519 -3.7573 -3.7573 -3.7201 -3.7201 -3.4113 -3.4113 -3.1964 -3.1964 -3.1159 -3.1159 3.1991 3.1991 5.9549 5.9549 6.0374 6.0374 6.6063 6.6063 7.9738 7.9738 8.4142 8.4142 8.7070 8.7070 9.8917 9.8917 10.2673 10.2673 10.6470 10.6470 11.1038 11.1038 11.2190 11.2190 k = 0.2317 0.2317-0.0000 ( 6134 PWs) bands (ev): -18.9743 -18.9743 -18.8019 -18.8019 -18.7801 -18.7801 -11.4627 -11.4627 -11.4624 -11.4624 -10.4287 -10.4287 -10.4249 -10.4249 -10.4243 -10.4243 -8.5769 -8.5769 -5.7461 -5.7461 -5.6259 -5.6259 -5.2778 -5.2778 -3.9706 -3.9706 -3.7569 -3.7569 -3.7272 -3.7272 -3.4173 -3.4173 -3.1880 -3.1880 -3.1121 -3.1121 3.1732 3.1732 6.0094 6.0094 6.0918 6.0918 6.6149 6.6149 8.0179 8.0179 8.4466 8.4466 8.7467 8.7467 9.8334 9.8334 10.1971 10.1971 10.6085 10.6085 11.0420 11.0420 11.0949 11.0949 k = 0.2195 0.2195-0.0000 ( 6144 PWs) bands (ev): -18.9795 -18.9795 -18.7987 -18.7987 -18.7784 -18.7784 -11.4627 -11.4627 -11.4624 -11.4624 -10.4287 -10.4287 -10.4249 -10.4249 -10.4244 -10.4244 -8.5580 -8.5580 -5.7525 -5.7525 -5.6388 -5.6388 -5.2745 -5.2745 -3.9898 -3.9898 -3.7571 -3.7571 -3.7338 -3.7338 -3.4221 -3.4221 -3.1792 -3.1792 -3.1082 -3.1082 3.1464 3.1464 6.0643 6.0643 6.1456 6.1456 6.6235 6.6235 8.0684 8.0684 8.4807 8.4807 8.7873 8.7873 9.7776 9.7776 10.1294 10.1294 10.5693 10.5693 10.9573 10.9573 10.9917 10.9917 k = 0.2073 0.2073-0.0000 ( 6142 PWs) bands (ev): -18.9845 -18.9845 -18.7956 -18.7956 -18.7769 -18.7769 -11.4627 -11.4627 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5391 -8.5391 -5.7588 -5.7588 -5.6525 -5.6525 -5.2708 -5.2708 -4.0091 -4.0091 -3.7578 -3.7578 -3.7401 -3.7401 -3.4257 -3.4257 -3.1703 -3.1703 -3.1043 -3.1043 3.1189 3.1189 6.1192 6.1192 6.1986 6.1986 6.6321 6.6321 8.1251 8.1251 8.5164 8.5164 8.8285 8.8285 9.7242 9.7242 10.0645 10.0645 10.5290 10.5290 10.8431 10.8431 10.9175 10.9175 k = 0.1951 0.1951-0.0000 ( 6126 PWs) bands (ev): -18.9894 -18.9894 -18.7926 -18.7926 -18.7754 -18.7754 -11.4626 -11.4626 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5205 -8.5205 -5.7651 -5.7651 -5.6667 -5.6667 -5.2669 -5.2669 -4.0285 -4.0285 -3.7590 -3.7590 -3.7460 -3.7460 -3.4281 -3.4281 -3.1612 -3.1612 -3.1002 -3.1002 3.0912 3.0912 6.1738 6.1738 6.2504 6.2504 6.6406 6.6406 8.1878 8.1878 8.5537 8.5537 8.8705 8.8705 9.6735 9.6735 10.0025 10.0025 10.4872 10.4872 10.7288 10.7288 10.8447 10.8447 k = 0.1829 0.1829-0.0000 ( 6120 PWs) bands (ev): -18.9940 -18.9940 -18.7896 -18.7896 -18.7741 -18.7741 -11.4626 -11.4626 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5022 -8.5022 -5.7711 -5.7711 -5.6812 -5.6812 -5.2627 -5.2627 -4.0477 -4.0477 -3.7608 -3.7608 -3.7514 -3.7514 -3.4294 -3.4294 -3.1520 -3.1520 -3.0962 -3.0962 3.0633 3.0633 6.2277 6.2277 6.3008 6.3008 6.6490 6.6490 8.2560 8.2560 8.5929 8.5929 8.9130 8.9130 9.6255 9.6255 9.9437 9.9437 10.4437 10.4437 10.6189 10.6189 10.7704 10.7704 k = 0.1707 0.1707-0.0000 ( 6124 PWs) bands (ev): -18.9984 -18.9984 -18.7867 -18.7867 -18.7728 -18.7728 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4248 -10.4248 -10.4244 -10.4244 -8.4844 -8.4844 -5.7770 -5.7770 -5.6957 -5.6957 -5.2584 -5.2584 -4.0666 -4.0666 -3.7630 -3.7630 -3.7563 -3.7563 -3.4298 -3.4298 -3.1428 -3.1428 -3.0923 -3.0923 3.0357 3.0357 6.2806 6.2806 6.3495 6.3495 6.6572 6.6572 8.3291 8.3291 8.6339 8.6339 8.9560 8.9560 9.5803 9.5803 9.8880 9.8880 10.3978 10.3978 10.5146 10.5146 10.6949 10.6949 k = 0.1585 0.1585-0.0000 ( 6112 PWs) bands (ev): -19.0026 -19.0026 -18.7840 -18.7840 -18.7717 -18.7717 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4247 -10.4247 -10.4244 -10.4244 -8.4671 -8.4671 -5.7826 -5.7826 -5.7103 -5.7103 -5.2542 -5.2542 -4.0851 -4.0851 -3.7656 -3.7656 -3.7607 -3.7607 -3.4294 -3.4294 -3.1337 -3.1337 -3.0884 -3.0884 3.0085 3.0085 6.3322 6.3322 6.3963 6.3963 6.6652 6.6652 8.4065 8.4065 8.6768 8.6768 8.9995 8.9995 9.5381 9.5381 9.8356 9.8356 10.3484 10.3484 10.4176 10.4176 10.6191 10.6191 k = 0.1463 0.1463-0.0000 ( 6134 PWs) bands (ev): -19.0066 -19.0066 -18.7813 -18.7813 -18.7706 -18.7706 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4247 -10.4247 -10.4244 -10.4244 -8.4505 -8.4505 -5.7880 -5.7880 -5.7245 -5.7245 -5.2500 -5.2500 -4.1028 -4.1028 -3.7685 -3.7685 -3.7646 -3.7646 -3.4284 -3.4284 -3.1247 -3.1247 -3.0847 -3.0847 2.9821 2.9821 6.3819 6.3819 6.4408 6.4408 6.6729 6.6729 8.4874 8.4874 8.7219 8.7219 9.0434 9.0434 9.4992 9.4992 9.7868 9.7868 10.2906 10.2906 10.3332 10.3332 10.5436 10.5436 k = 0.1341 0.1341-0.0000 ( 6130 PWs) bands (ev): -19.0103 -19.0103 -18.7789 -18.7789 -18.7697 -18.7697 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4247 -10.4247 -10.4244 -10.4244 -8.4347 -8.4347 -5.7931 -5.7931 -5.7383 -5.7383 -5.2459 -5.2459 -4.1198 -4.1198 -3.7715 -3.7715 -3.7681 -3.7681 -3.4270 -3.4270 -3.1159 -3.1159 -3.0811 -3.0811 2.9567 2.9567 6.4294 6.4294 6.4828 6.4828 6.6804 6.6804 8.5704 8.5704 8.7693 8.7693 9.0876 9.0876 9.4637 9.4637 9.7414 9.7414 10.2175 10.2175 10.2683 10.2683 10.4695 10.4695 k = 0.1220 0.1220-0.0000 ( 6136 PWs) bands (ev): -19.0137 -19.0137 -18.7765 -18.7765 -18.7688 -18.7688 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4246 -10.4246 -10.4244 -10.4244 -8.4198 -8.4198 -5.7979 -5.7979 -5.7515 -5.7515 -5.2421 -5.2421 -4.1358 -4.1358 -3.7744 -3.7744 -3.7713 -3.7713 -3.4252 -3.4252 -3.1075 -3.1075 -3.0778 -3.0778 2.9326 2.9326 6.4743 6.4743 6.5222 6.5222 6.6875 6.6875 8.6542 8.6542 8.8194 8.8194 9.1318 9.1318 9.4320 9.4320 9.6997 9.6997 10.1397 10.1397 10.2130 10.2130 10.3975 10.3975 k = 0.1098 0.1098-0.0000 ( 6140 PWs) bands (ev): -19.0168 -19.0168 -18.7744 -18.7744 -18.7680 -18.7680 -11.4625 -11.4625 -11.4624 -11.4624 -10.4283 -10.4283 -10.4246 -10.4246 -10.4244 -10.4244 -8.4060 -8.4060 -5.8024 -5.8024 -5.7640 -5.7640 -5.2384 -5.2384 -4.1507 -4.1507 -3.7772 -3.7772 -3.7743 -3.7743 -3.4233 -3.4233 -3.0994 -3.0994 -3.0746 -3.0746 2.9100 2.9100 6.5162 6.5162 6.5585 6.5585 6.6944 6.6944 8.7364 8.7364 8.8728 8.8728 9.1758 9.1758 9.4050 9.4050 9.6618 9.6618 10.0651 10.0651 10.1599 10.1599 10.3284 10.3284 k = 0.0976 0.0976-0.0000 ( 6132 PWs) bands (ev): -19.0196 -19.0196 -18.7724 -18.7724 -18.7673 -18.7673 -11.4625 -11.4625 -11.4624 -11.4624 -10.4283 -10.4283 -10.4246 -10.4246 -10.4244 -10.4244 -8.3932 -8.3932 -5.8065 -5.8065 -5.7755 -5.7755 -5.2351 -5.2351 -4.1643 -4.1643 -3.7796 -3.7796 -3.7771 -3.7771 -3.4212 -3.4212 -3.0919 -3.0919 -3.0718 -3.0718 2.8892 2.8892 6.5546 6.5546 6.5916 6.5916 6.7010 6.7010 8.8143 8.8143 8.9300 8.9300 9.2187 9.2187 9.3839 9.3839 9.6276 9.6276 9.9950 9.9950 10.1086 10.1086 10.2628 10.2628 k = 0.0854 0.0854-0.0000 ( 6136 PWs) bands (ev): -19.0221 -19.0221 -18.7707 -18.7707 -18.7667 -18.7667 -11.4624 -11.4624 -11.4624 -11.4624 -10.4283 -10.4283 -10.4245 -10.4245 -10.4244 -10.4244 -8.3817 -8.3817 -5.8101 -5.8101 -5.7860 -5.7860 -5.2321 -5.2321 -4.1766 -4.1766 -3.7818 -3.7818 -3.7796 -3.7796 -3.4192 -3.4192 -3.0850 -3.0850 -3.0692 -3.0692 2.8703 2.8703 6.5892 6.5892 6.6211 6.6211 6.7075 6.7075 8.8855 8.8855 8.9903 8.9903 9.2587 9.2587 9.3715 9.3715 9.5973 9.5973 9.9289 9.9289 10.0604 10.0604 10.2013 10.2013 k = 0.0732 0.0732-0.0000 ( 6124 PWs) bands (ev): -19.0243 -19.0243 -18.7692 -18.7692 -18.7662 -18.7662 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3716 -8.3716 -5.8134 -5.8134 -5.7954 -5.7954 -5.2294 -5.2294 -4.1875 -4.1875 -3.7836 -3.7836 -3.7819 -3.7819 -3.4174 -3.4174 -3.0788 -3.0788 -3.0669 -3.0669 2.8536 2.8536 6.6196 6.6196 6.6466 6.6466 6.7140 6.7140 8.9492 8.9492 9.0498 9.0498 9.2918 9.2918 9.3735 9.3735 9.5709 9.5709 9.8658 9.8658 10.0182 10.0182 10.1443 10.1443 k = 0.0610 0.0610-0.0000 ( 6110 PWs) bands (ev): -19.0262 -19.0262 -18.7678 -18.7678 -18.7658 -18.7658 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3628 -8.3628 -5.8161 -5.8161 -5.8035 -5.8035 -5.2271 -5.2271 -4.1969 -4.1969 -3.7852 -3.7852 -3.7839 -3.7839 -3.4157 -3.4157 -3.0734 -3.0734 -3.0650 -3.0650 2.8391 2.8391 6.6456 6.6456 6.6675 6.6675 6.7209 6.7209 9.0062 9.0062 9.1013 9.1013 9.3170 9.3170 9.3934 9.3934 9.5485 9.5485 9.8045 9.8045 9.9847 9.9847 10.0924 10.0924 k = 0.0488 0.0488-0.0000 ( 6110 PWs) bands (ev): -19.0278 -19.0278 -18.7667 -18.7667 -18.7654 -18.7654 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3555 -8.3555 -5.8184 -5.8184 -5.8103 -5.8103 -5.2252 -5.2252 -4.2046 -4.2046 -3.7864 -3.7864 -3.7856 -3.7856 -3.4142 -3.4142 -3.0688 -3.0688 -3.0634 -3.0634 2.8271 2.8271 6.6669 6.6669 6.6833 6.6833 6.7284 6.7284 9.0573 9.0573 9.1374 9.1374 9.3439 9.3439 9.4233 9.4233 9.5301 9.5301 9.7443 9.7443 9.9619 9.9619 10.0462 10.0462 k = 0.0366 0.0366-0.0000 ( 6108 PWs) bands (ev): -19.0290 -19.0290 -18.7659 -18.7659 -18.7651 -18.7651 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3498 -8.3498 -5.8203 -5.8203 -5.8156 -5.8156 -5.2238 -5.2238 -4.2107 -4.2107 -3.7874 -3.7874 -3.7869 -3.7869 -3.4130 -3.4130 -3.0652 -3.0652 -3.0621 -3.0621 2.8176 2.8176 6.6835 6.6835 6.6939 6.6939 6.7364 6.7364 9.1018 9.1018 9.1570 9.1570 9.3796 9.3796 9.4527 9.4527 9.5158 9.5158 9.6853 9.6853 9.9504 9.9504 10.0072 10.0072 k = 0.0244 0.0244-0.0000 ( 6107 PWs) bands (ev): -19.0298 -19.0298 -18.7653 -18.7653 -18.7649 -18.7649 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3456 -8.3456 -5.8216 -5.8216 -5.8195 -5.8195 -5.2227 -5.2227 -4.2151 -4.2151 -3.7881 -3.7881 -3.7878 -3.7878 -3.4122 -3.4122 -3.0626 -3.0626 -3.0612 -3.0612 2.8108 2.8108 6.6953 6.6953 6.7004 6.7004 6.7434 6.7434 9.1375 9.1375 9.1656 9.1656 9.4217 9.4217 9.4759 9.4759 9.5057 9.5057 9.6283 9.6283 9.9478 9.9478 9.9769 9.9769 k = 0.0122 0.0122-0.0000 ( 6089 PWs) bands (ev): -19.0304 -19.0304 -18.7649 -18.7649 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3432 -8.3432 -5.8223 -5.8223 -5.8218 -5.8218 -5.2220 -5.2220 -4.2178 -4.2178 -3.7885 -3.7885 -3.7884 -3.7884 -3.4116 -3.4116 -3.0610 -3.0610 -3.0606 -3.0606 2.8067 2.8067 6.7024 6.7024 6.7038 6.7038 6.7483 6.7483 9.1611 9.1611 9.1687 9.1687 9.4662 9.4662 9.4900 9.4900 9.5000 9.5000 9.5751 9.5751 9.9495 9.9495 9.9575 9.9575 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -19.0305 -19.0305 -18.7648 -18.7648 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3423 -8.3423 -5.8226 -5.8226 -5.8226 -5.8226 -5.2218 -5.2218 -4.2186 -4.2186 -3.7886 -3.7886 -3.7886 -3.7886 -3.4114 -3.4114 -3.0605 -3.0605 -3.0605 -3.0605 2.8053 2.8053 6.7048 6.7048 6.7048 6.7048 6.7500 6.7500 9.1694 9.1694 9.1694 9.1694 9.4938 9.4938 9.4990 9.4990 9.4990 9.4990 9.5393 9.5393 9.9508 9.9508 9.9508 9.9508 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -19.0305 -19.0305 -18.7648 -18.7648 -18.7648 -18.7648 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3423 -8.3423 -5.8226 -5.8226 -5.8226 -5.8226 -5.2218 -5.2218 -4.2186 -4.2186 -3.7886 -3.7886 -3.7886 -3.7886 -3.4114 -3.4114 -3.0605 -3.0605 -3.0605 -3.0605 2.8053 2.8053 6.7048 6.7048 6.7048 6.7048 6.7500 6.7500 9.1694 9.1694 9.1694 9.1694 9.4938 9.4938 9.4990 9.4990 9.4990 9.4990 9.5393 9.5393 9.9508 9.9508 9.9508 9.9508 k = 0.0100 0.0100 0.0100 ( 6091 PWs) bands (ev): -19.0304 -19.0304 -18.7649 -18.7649 -18.7649 -18.7649 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3432 -8.3432 -5.8222 -5.8222 -5.8219 -5.8219 -5.2220 -5.2220 -4.2178 -4.2178 -3.7885 -3.7885 -3.7884 -3.7884 -3.4116 -3.4116 -3.0610 -3.0610 -3.0606 -3.0606 2.8067 2.8067 6.7029 6.7029 6.7033 6.7033 6.7482 6.7482 9.1632 9.1632 9.1664 9.1664 9.4654 9.4654 9.4916 9.4916 9.4989 9.4989 9.5754 9.5754 9.9492 9.9492 9.9579 9.9579 k = 0.0200 0.0200 0.0200 ( 6097 PWs) bands (ev): -19.0298 -19.0298 -18.7651 -18.7651 -18.7651 -18.7651 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3457 -8.3457 -5.8211 -5.8211 -5.8199 -5.8199 -5.2227 -5.2227 -4.2151 -4.2151 -3.7880 -3.7880 -3.7879 -3.7879 -3.4122 -3.4122 -3.0627 -3.0627 -3.0611 -3.0611 2.8109 2.8109 6.6972 6.6972 6.6987 6.6987 6.7430 6.7430 9.1451 9.1451 9.1578 9.1578 9.4165 9.4165 9.4867 9.4867 9.4991 9.4991 9.6291 9.6291 9.9466 9.9466 9.9785 9.9785 k = 0.0300 0.0300 0.0300 ( 6106 PWs) bands (ev): -19.0290 -19.0290 -18.7655 -18.7655 -18.7655 -18.7655 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4244 -10.4244 -10.4244 -10.4244 -8.3499 -8.3499 -5.8193 -5.8193 -5.8165 -5.8165 -5.2238 -5.2238 -4.2106 -4.2106 -3.7872 -3.7872 -3.7871 -3.7871 -3.4130 -3.4130 -3.0655 -3.0655 -3.0619 -3.0619 2.8177 2.8177 6.6878 6.6878 6.6910 6.6910 6.7345 6.7345 9.1166 9.1166 9.1437 9.1437 9.3609 9.3609 9.4827 9.4827 9.5007 9.5007 9.6866 9.6866 9.9481 9.9481 10.0111 10.0111 k = 0.0400 0.0400 0.0400 ( 6112 PWs) bands (ev): -19.0277 -19.0277 -18.7661 -18.7661 -18.7661 -18.7661 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3557 -8.3557 -5.8168 -5.8168 -5.8118 -5.8118 -5.2253 -5.2253 -4.2044 -4.2044 -3.7861 -3.7861 -3.7860 -3.7860 -3.4142 -3.4142 -3.0693 -3.0693 -3.0629 -3.0629 2.8273 2.8273 6.6745 6.6745 6.6804 6.6804 6.7227 6.7227 9.0796 9.0796 9.1249 9.1249 9.2963 9.2963 9.4826 9.4826 9.5049 9.5049 9.7452 9.7452 9.9591 9.9591 10.0539 10.0539 k = 0.0500 0.0500 0.0500 ( 6118 PWs) bands (ev): -19.0262 -19.0262 -18.7668 -18.7668 -18.7668 -18.7668 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3631 -8.3631 -5.8136 -5.8136 -5.8058 -5.8058 -5.2272 -5.2272 -4.1965 -4.1965 -3.7847 -3.7847 -3.7846 -3.7846 -3.4156 -3.4156 -3.0742 -3.0742 -3.0643 -3.0643 2.8394 2.8394 6.6575 6.6575 6.6668 6.6668 6.7078 6.7078 9.0352 9.0352 9.1022 9.1022 9.2239 9.2239 9.4878 9.4878 9.5125 9.5125 9.8019 9.8019 9.9837 9.9837 10.1052 10.1052 k = 0.0600 0.0600 0.0600 ( 6121 PWs) bands (ev): -19.0243 -19.0243 -18.7677 -18.7677 -18.7677 -18.7677 -11.4624 -11.4624 -11.4624 -11.4624 -10.4282 -10.4282 -10.4245 -10.4245 -10.4244 -10.4244 -8.3720 -8.3720 -5.8098 -5.8098 -5.7986 -5.7986 -5.2294 -5.2294 -4.1869 -4.1869 -3.7831 -3.7831 -3.7828 -3.7828 -3.4172 -3.4172 -3.0800 -3.0800 -3.0659 -3.0659 2.8539 2.8539 6.6367 6.6367 6.6503 6.6503 6.6899 6.6899 8.9832 8.9832 9.0766 9.0766 9.1479 9.1479 9.4982 9.4982 9.5240 9.5240 9.8545 9.8545 10.0244 10.0244 10.1635 10.1635 k = 0.0700 0.0700 0.0700 ( 6127 PWs) bands (ev): -19.0221 -19.0221 -18.7687 -18.7687 -18.7687 -18.7687 -11.4624 -11.4624 -11.4624 -11.4624 -10.4283 -10.4283 -10.4245 -10.4245 -10.4244 -10.4244 -8.3825 -8.3825 -5.8053 -5.8053 -5.7902 -5.7902 -5.2321 -5.2321 -4.1755 -4.1755 -3.7815 -3.7815 -3.7806 -3.7806 -3.4189 -3.4189 -3.0866 -3.0866 -3.0677 -3.0677 2.8707 2.8707 6.6122 6.6122 6.6309 6.6309 6.6693 6.6693 8.9211 8.9211 9.0491 9.0491 9.0750 9.0750 9.5134 9.5134 9.5395 9.5395 9.9028 9.9028 10.0806 10.0806 10.2276 10.2276 k = 0.0800 0.0800 0.0800 ( 6145 PWs) bands (ev): -19.0195 -19.0195 -18.7699 -18.7699 -18.7699 -18.7699 -11.4625 -11.4625 -11.4624 -11.4624 -10.4283 -10.4283 -10.4245 -10.4245 -10.4244 -10.4244 -8.3944 -8.3944 -5.8003 -5.8003 -5.7808 -5.7808 -5.2350 -5.2350 -4.1626 -4.1626 -3.7799 -3.7799 -3.7781 -3.7781 -3.4207 -3.4207 -3.0941 -3.0941 -3.0697 -3.0697 2.8896 2.8896 6.5843 6.5843 6.6088 6.6088 6.6460 6.6460 8.8465 8.8465 9.0111 9.0111 9.0205 9.0205 9.5329 9.5329 9.5588 9.5588 9.9493 9.9493 10.1489 10.1489 10.2967 10.2967 k = 0.0900 0.0900 0.0900 ( 6151 PWs) bands (ev): -19.0167 -19.0167 -18.7713 -18.7713 -18.7713 -18.7713 -11.4625 -11.4625 -11.4624 -11.4624 -10.4283 -10.4283 -10.4246 -10.4246 -10.4244 -10.4244 -8.4076 -8.4076 -5.7947 -5.7947 -5.7704 -5.7704 -5.2383 -5.2383 -4.1481 -4.1481 -3.7785 -3.7785 -3.7752 -3.7752 -3.4224 -3.4224 -3.1022 -3.1022 -3.0718 -3.0718 2.9104 2.9104 6.5530 6.5530 6.5841 6.5841 6.6201 6.6201 8.7610 8.7610 8.9574 8.9574 8.9917 8.9917 9.5561 9.5561 9.5817 9.5817 9.9967 9.9967 10.2256 10.2256 10.3701 10.3701 k = 0.1000 0.1000 0.1000 ( 6151 PWs) bands (ev): -19.0135 -19.0135 -18.7727 -18.7727 -18.7727 -18.7727 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4246 -10.4246 -10.4244 -10.4244 -8.4221 -8.4221 -5.7887 -5.7887 -5.7591 -5.7591 -5.2417 -5.2417 -4.1320 -4.1320 -3.7772 -3.7772 -3.7719 -3.7719 -3.4240 -3.4240 -3.1108 -3.1108 -3.0741 -3.0741 2.9329 2.9329 6.5187 6.5187 6.5567 6.5567 6.5918 6.5918 8.6692 8.6692 8.9116 8.9116 8.9631 8.9631 9.5830 9.5830 9.6082 9.6082 10.0469 10.0469 10.3081 10.3081 10.4472 10.4472 k = 0.1100 0.1100 0.1100 ( 6139 PWs) bands (ev): -19.0101 -19.0101 -18.7743 -18.7743 -18.7743 -18.7743 -11.4625 -11.4625 -11.4624 -11.4624 -10.4284 -10.4284 -10.4246 -10.4246 -10.4244 -10.4244 -8.4379 -8.4379 -5.7822 -5.7822 -5.7470 -5.7470 -5.2454 -5.2454 -4.1144 -4.1144 -3.7763 -3.7763 -3.7681 -3.7681 -3.4252 -3.4252 -3.1199 -3.1199 -3.0764 -3.0764 2.9568 2.9568 6.4815 6.4815 6.5269 6.5269 6.5611 6.5611 8.5750 8.5750 8.8714 8.8714 8.9353 8.9353 9.6131 9.6131 9.6380 9.6380 10.1006 10.1006 10.3950 10.3950 10.5277 10.5277 k = 0.1200 0.1200 0.1200 ( 6124 PWs) bands (ev): -19.0063 -19.0063 -18.7760 -18.7760 -18.7760 -18.7760 -11.4626 -11.4626 -11.4624 -11.4624 -10.4284 -10.4284 -10.4247 -10.4247 -10.4244 -10.4244 -8.4547 -8.4547 -5.7754 -5.7754 -5.7343 -5.7343 -5.2491 -5.2491 -4.0955 -4.0955 -3.7760 -3.7760 -3.7640 -3.7640 -3.4259 -3.4259 -3.1294 -3.1294 -3.0788 -3.0788 2.9819 2.9819 6.4417 6.4417 6.4947 6.4947 6.5282 6.5282 8.4811 8.4811 8.8354 8.8354 8.9087 8.9087 9.6463 9.6463 9.6710 9.6710 10.1582 10.1582 10.4852 10.4852 10.6111 10.6111 k = 0.1300 0.1300 0.1300 ( 6133 PWs) bands (ev): -19.0024 -19.0024 -18.7779 -18.7779 -18.7779 -18.7779 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4247 -10.4247 -10.4244 -10.4244 -8.4726 -8.4726 -5.7683 -5.7683 -5.7211 -5.7211 -5.2529 -5.2529 -4.0752 -4.0752 -3.7763 -3.7763 -3.7594 -3.7594 -3.4261 -3.4261 -3.1390 -3.1390 -3.0812 -3.0812 3.0078 3.0078 6.3996 6.3996 6.4603 6.4603 6.4931 6.4931 8.3893 8.3893 8.8028 8.8028 8.8835 8.8835 9.6824 9.6824 9.7069 9.7069 10.2198 10.2198 10.5780 10.5780 10.6969 10.6969 k = 0.1400 0.1400 0.1400 ( 6133 PWs) bands (ev): -18.9981 -18.9981 -18.7798 -18.7798 -18.7798 -18.7798 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4247 -10.4247 -10.4244 -10.4244 -8.4914 -8.4914 -5.7610 -5.7610 -5.7076 -5.7076 -5.2567 -5.2567 -4.0536 -4.0536 -3.7775 -3.7775 -3.7543 -3.7543 -3.4255 -3.4255 -3.1487 -3.1487 -3.0835 -3.0835 3.0342 3.0342 6.3555 6.3555 6.4238 6.4238 6.4560 6.4560 8.3008 8.3008 8.7734 8.7734 8.8599 8.8599 9.7213 9.7213 9.7457 9.7457 10.2852 10.2852 10.6729 10.6729 10.7847 10.7847 k = 0.1500 0.1500 0.1500 ( 6133 PWs) bands (ev): -18.9936 -18.9936 -18.7819 -18.7819 -18.7819 -18.7819 -11.4626 -11.4626 -11.4624 -11.4624 -10.4285 -10.4285 -10.4247 -10.4247 -10.4244 -10.4244 -8.5111 -8.5111 -5.7535 -5.7535 -5.6938 -5.6938 -5.2603 -5.2603 -4.0309 -4.0309 -3.7796 -3.7796 -3.7487 -3.7487 -3.4241 -3.4241 -3.1584 -3.1584 -3.0857 -3.0857 3.0609 3.0609 6.3097 6.3097 6.3854 6.3854 6.4169 6.4169 8.2166 8.2166 8.7470 8.7470 8.8382 8.8382 9.7629 9.7629 9.7872 9.7872 10.3541 10.3541 10.7692 10.7692 10.8742 10.8742 k = 0.1600 0.1600 0.1600 ( 6136 PWs) bands (ev): -18.9890 -18.9890 -18.7840 -18.7840 -18.7840 -18.7840 -11.4626 -11.4626 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5315 -8.5315 -5.7459 -5.7459 -5.6801 -5.6801 -5.2636 -5.2636 -4.0070 -4.0070 -3.7828 -3.7828 -3.7427 -3.7427 -3.4217 -3.4217 -3.1680 -3.1680 -3.0878 -3.0878 3.0874 3.0874 6.2624 6.2624 6.3451 6.3451 6.3760 6.3760 8.1374 8.1374 8.7235 8.7235 8.8185 8.8185 9.8070 9.8070 9.8313 9.8313 10.4262 10.4262 10.8664 10.8664 10.9646 10.9646 k = 0.1700 0.1700 0.1700 ( 6148 PWs) bands (ev): -18.9841 -18.9841 -18.7863 -18.7863 -18.7863 -18.7863 -11.4626 -11.4626 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5526 -8.5526 -5.7383 -5.7383 -5.6665 -5.6665 -5.2664 -5.2664 -3.9822 -3.9822 -3.7871 -3.7871 -3.7361 -3.7361 -3.4182 -3.4182 -3.1773 -3.1773 -3.0898 -3.0898 3.1134 3.1134 6.2139 6.2139 6.3031 6.3031 6.3335 6.3335 8.0638 8.0638 8.7028 8.7028 8.8008 8.8008 9.8535 9.8535 9.8778 9.8778 10.5011 10.5011 10.9637 10.9637 11.0553 11.0553 k = 0.1800 0.1800 0.1800 ( 6136 PWs) bands (ev): -18.9790 -18.9790 -18.7886 -18.7886 -18.7886 -18.7886 -11.4627 -11.4627 -11.4624 -11.4624 -10.4286 -10.4286 -10.4248 -10.4248 -10.4244 -10.4244 -8.5742 -8.5742 -5.7308 -5.7308 -5.6534 -5.6534 -5.2688 -5.2688 -3.9566 -3.9566 -3.7927 -3.7927 -3.7290 -3.7290 -3.4135 -3.4135 -3.1862 -3.1862 -3.0915 -3.0915 3.1385 3.1385 6.1645 6.1645 6.2596 6.2596 6.2893 6.2893 7.9964 7.9964 8.6849 8.6849 8.7854 8.7854 9.9022 9.9022 9.9266 9.9266 10.5780 10.5780 11.0603 11.0603 11.1455 11.1455 k = 0.1900 0.1900 0.1900 ( 6133 PWs) bands (ev): -18.9738 -18.9738 -18.7910 -18.7910 -18.7909 -18.7909 -11.4627 -11.4627 -11.4624 -11.4624 -10.4287 -10.4287 -10.4248 -10.4248 -10.4243 -10.4243 -8.5963 -8.5963 -5.7234 -5.7234 -5.6408 -5.6408 -5.2703 -5.2703 -3.9302 -3.9302 -3.7994 -3.7994 -3.7213 -3.7213 -3.4078 -3.4078 -3.1946 -3.1946 -3.0929 -3.0929 3.1625 3.1625 6.1144 6.1144 6.2147 6.2147 6.2438 6.2438 7.9358 7.9358 8.6698 8.6698 8.7722 8.7722 9.9529 9.9529 9.9775 9.9775 10.6561 10.6561 11.1551 11.1551 11.2340 11.2340 k = 0.2000 0.2000 0.2000 ( 6139 PWs) bands (ev): -18.9684 -18.9684 -18.7934 -18.7934 -18.7934 -18.7934 -11.4627 -11.4627 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4243 -10.4243 -8.6187 -8.6187 -5.7161 -5.7161 -5.6291 -5.6291 -5.2710 -5.2710 -3.9032 -3.9032 -3.8072 -3.8072 -3.7132 -3.7132 -3.4009 -3.4009 -3.2025 -3.2025 -3.0941 -3.0941 3.1849 3.1849 6.0638 6.0638 6.1686 6.1686 6.1970 6.1970 7.8824 7.8824 8.6575 8.6575 8.7614 8.7614 10.0056 10.0056 10.0304 10.0304 10.7343 10.7343 11.2465 11.2465 11.3196 11.3196 k = 0.2100 0.2100 0.2100 ( 6118 PWs) bands (ev): -18.9629 -18.9629 -18.7959 -18.7959 -18.7959 -18.7959 -11.4627 -11.4627 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4243 -10.4243 -8.6415 -8.6415 -5.7091 -5.7091 -5.6184 -5.6184 -5.2706 -5.2706 -3.8758 -3.8758 -3.8160 -3.8160 -3.7045 -3.7045 -3.3929 -3.3929 -3.2097 -3.2097 -3.0950 -3.0950 3.2055 3.2055 6.0131 6.0131 6.1215 6.1215 6.1491 6.1491 7.8365 7.8365 8.6479 8.6479 8.7529 8.7529 10.0600 10.0600 10.0850 10.0850 10.8107 10.8107 11.3326 11.3326 11.4004 11.4004 k = 0.2200 0.2200 0.2200 ( 6133 PWs) bands (ev): -18.9573 -18.9573 -18.7984 -18.7984 -18.7984 -18.7984 -11.4627 -11.4627 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4243 -10.4243 -8.6644 -8.6644 -5.7023 -5.7023 -5.6089 -5.6089 -5.2690 -5.2690 -3.8492 -3.8492 -3.8248 -3.8248 -3.6952 -3.6952 -3.3838 -3.3838 -3.2161 -3.2161 -3.0955 -3.0955 3.2239 3.2239 5.9624 5.9624 6.0734 6.0734 6.1002 6.1002 7.7985 7.7985 8.6411 8.6411 8.7469 8.7469 10.1159 10.1159 10.1411 10.1411 10.8831 10.8831 11.4111 11.4111 11.4744 11.4744 k = 0.2300 0.2300 0.2300 ( 6118 PWs) bands (ev): -18.9516 -18.9516 -18.8009 -18.8009 -18.8009 -18.8009 -11.4627 -11.4627 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4243 -10.4243 -8.6874 -8.6874 -5.6959 -5.6959 -5.6009 -5.6009 -5.2661 -5.2661 -3.8404 -3.8404 -3.8166 -3.8166 -3.6855 -3.6855 -3.3739 -3.3739 -3.2217 -3.2217 -3.0957 -3.0957 3.2399 3.2399 5.9118 5.9118 6.0247 6.0247 6.0506 6.0506 7.7688 7.7688 8.6369 8.6369 8.7433 8.7433 10.1730 10.1730 10.1985 10.1985 10.9483 10.9483 11.4793 11.4793 11.5391 11.5391 k = 0.2400 0.2400 0.2400 ( 6124 PWs) bands (ev): -18.9459 -18.9459 -18.8035 -18.8035 -18.8035 -18.8035 -11.4626 -11.4626 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4242 -10.4242 -8.7104 -8.7104 -5.6899 -5.6899 -5.5944 -5.5944 -5.2618 -5.2618 -3.8508 -3.8508 -3.7898 -3.7898 -3.6753 -3.6753 -3.3631 -3.3631 -3.2263 -3.2263 -3.0955 -3.0955 3.2533 3.2533 5.8617 5.8617 5.9754 5.9754 6.0003 6.0003 7.7475 7.7475 8.6355 8.6355 8.7421 8.7421 10.2310 10.2310 10.2569 10.2569 11.0026 11.0026 11.5355 11.5355 11.5916 11.5916 k = 0.2500 0.2500 0.2500 ( 6130 PWs) bands (ev): -18.9401 -18.9401 -18.8061 -18.8061 -18.8060 -18.8060 -11.4626 -11.4626 -11.4623 -11.4623 -10.4287 -10.4287 -10.4247 -10.4247 -10.4242 -10.4242 -8.7333 -8.7333 -5.6842 -5.6842 -5.5895 -5.5895 -5.2560 -5.2560 -3.8631 -3.8631 -3.7620 -3.7620 -3.6647 -3.6647 -3.3516 -3.3516 -3.2298 -3.2298 -3.0950 -3.0950 3.2639 3.2639 5.8122 5.8122 5.9257 5.9257 5.9495 5.9495 7.7348 7.7348 8.6368 8.6368 8.7434 8.7434 10.2896 10.2896 10.3160 10.3160 11.0425 11.0425 11.5813 11.5813 11.6294 11.6294 k = 0.2600 0.2600 0.2600 ( 6124 PWs) bands (ev): -18.9344 -18.9344 -18.8086 -18.8086 -18.8086 -18.8086 -11.4626 -11.4626 -11.4623 -11.4623 -10.4287 -10.4287 -10.4247 -10.4247 -10.4242 -10.4242 -8.7561 -8.7561 -5.6790 -5.6790 -5.5861 -5.5861 -5.2489 -5.2489 -3.8761 -3.8761 -3.7344 -3.7344 -3.6537 -3.6537 -3.3396 -3.3396 -3.2322 -3.2322 -3.0940 -3.0940 3.2717 3.2717 5.7634 5.7634 5.8759 5.8759 5.8985 5.8985 7.7308 7.7308 8.6407 8.6407 8.7471 8.7471 10.3484 10.3484 10.3753 10.3753 11.0665 11.0665 11.6173 11.6173 11.6506 11.6506 k = 0.2700 0.2700 0.2700 ( 6124 PWs) bands (ev): -18.9286 -18.9286 -18.8112 -18.8112 -18.8112 -18.8112 -11.4626 -11.4626 -11.4622 -11.4622 -10.4286 -10.4286 -10.4247 -10.4247 -10.4242 -10.4242 -8.7786 -8.7786 -5.6743 -5.6743 -5.5843 -5.5843 -5.2405 -5.2405 -3.8896 -3.8896 -3.7073 -3.7073 -3.6423 -3.6423 -3.3272 -3.3272 -3.2332 -3.2332 -3.0926 -3.0926 3.2766 3.2766 5.7155 5.7155 5.8260 5.8260 5.8474 5.8474 7.7356 7.7356 8.6472 8.6472 8.7533 8.7533 10.4067 10.4067 10.4343 10.4343 11.0757 11.0757 11.6362 11.6362 11.6548 11.6548 k = 0.2800 0.2800 0.2800 ( 6124 PWs) bands (ev): -18.9228 -18.9228 -18.8137 -18.8137 -18.8137 -18.8137 -11.4626 -11.4626 -11.4622 -11.4622 -10.4286 -10.4286 -10.4246 -10.4246 -10.4241 -10.4241 -8.8008 -8.8008 -5.6700 -5.6700 -5.5838 -5.5838 -5.2310 -5.2310 -3.9034 -3.9034 -3.6810 -3.6810 -3.6306 -3.6306 -3.3146 -3.3146 -3.2327 -3.2327 -3.0907 -3.0907 3.2787 3.2787 5.6687 5.6687 5.7763 5.7763 5.7964 5.7964 7.7490 7.7490 8.6562 8.6562 8.7619 8.7619 10.4640 10.4640 10.4924 10.4924 11.0730 11.0730 11.6347 11.6347 11.6433 11.6433 k = 0.2900 0.2900 0.2900 ( 6124 PWs) bands (ev): -18.9172 -18.9172 -18.8162 -18.8162 -18.8162 -18.8162 -11.4625 -11.4625 -11.4622 -11.4622 -10.4286 -10.4286 -10.4246 -10.4246 -10.4241 -10.4241 -8.8225 -8.8225 -5.6662 -5.6662 -5.5845 -5.5845 -5.2205 -5.2205 -3.9174 -3.9174 -3.6556 -3.6556 -3.6188 -3.6188 -3.3021 -3.3021 -3.2304 -3.2304 -3.0885 -3.0885 3.2780 3.2780 5.6229 5.6229 5.7270 5.7270 5.7457 5.7457 7.7710 7.7710 8.6677 8.6677 8.7728 8.7728 10.5193 10.5193 10.5488 10.5488 11.0616 11.0616 11.6169 11.6169 11.6187 11.6187 k = 0.3000 0.3000 0.3000 ( 6124 PWs) bands (ev): -18.9116 -18.9116 -18.8186 -18.8186 -18.8186 -18.8186 -11.4625 -11.4625 -11.4622 -11.4622 -10.4285 -10.4285 -10.4245 -10.4245 -10.4241 -10.4241 -8.8438 -8.8438 -5.6628 -5.6628 -5.5864 -5.5864 -5.2093 -5.2093 -3.9314 -3.9314 -3.6314 -3.6314 -3.6068 -3.6068 -3.2900 -3.2900 -3.2262 -3.2262 -3.0859 -3.0859 3.2747 3.2747 5.5784 5.5784 5.6783 5.6783 5.6955 5.6955 7.8014 7.8014 8.6817 8.6817 8.7860 8.7860 10.5715 10.5715 10.6025 10.6025 11.0441 11.0441 11.5845 11.5845 11.5880 11.5880 k = 0.3100 0.3100 0.3100 ( 6127 PWs) bands (ev): -18.9060 -18.9060 -18.8210 -18.8210 -18.8210 -18.8210 -11.4624 -11.4624 -11.4621 -11.4621 -10.4285 -10.4285 -10.4245 -10.4245 -10.4240 -10.4240 -8.8645 -8.8645 -5.6599 -5.6599 -5.5890 -5.5890 -5.1976 -5.1976 -3.9454 -3.9454 -3.6087 -3.6087 -3.5948 -3.5948 -3.2785 -3.2785 -3.2196 -3.2196 -3.0828 -3.0828 3.2689 3.2689 5.5354 5.5354 5.6303 5.6303 5.6460 5.6460 7.8399 7.8399 8.6979 8.6979 8.8015 8.8015 10.6193 10.6193 10.6521 10.6521 11.0222 11.0222 11.5447 11.5447 11.5528 11.5528 k = 0.3200 0.3200 0.3200 ( 6133 PWs) bands (ev): -18.9007 -18.9007 -18.8234 -18.8234 -18.8234 -18.8234 -11.4624 -11.4624 -11.4621 -11.4621 -10.4285 -10.4285 -10.4244 -10.4244 -10.4240 -10.4240 -8.8847 -8.8847 -5.6575 -5.6575 -5.5924 -5.5924 -5.1856 -5.1856 -3.9591 -3.9591 -3.5876 -3.5876 -3.5828 -3.5828 -3.2678 -3.2678 -3.2108 -3.2108 -3.0794 -3.0794 3.2611 3.2611 5.4937 5.4937 5.5833 5.5833 5.5973 5.5973 7.8861 7.8861 8.7165 8.7165 8.8191 8.8191 10.6607 10.6607 10.6959 10.6959 10.9972 10.9972 11.5032 11.5032 11.5157 11.5157 k = 0.3300 0.3300 0.3300 ( 6115 PWs) bands (ev): -18.8954 -18.8954 -18.8256 -18.8256 -18.8256 -18.8256 -11.4624 -11.4624 -11.4621 -11.4621 -10.4284 -10.4284 -10.4244 -10.4244 -10.4240 -10.4240 -8.9041 -8.9041 -5.6554 -5.6554 -5.5964 -5.5964 -5.1734 -5.1734 -3.9726 -3.9726 -3.5709 -3.5709 -3.5683 -3.5683 -3.2578 -3.2578 -3.1999 -3.1999 -3.0756 -3.0756 3.2513 3.2513 5.4537 5.4537 5.5374 5.5374 5.5498 5.5498 7.9396 7.9396 8.7371 8.7371 8.8388 8.8388 10.6935 10.6935 10.7316 10.7316 10.9699 10.9699 11.4640 11.4640 11.4809 11.4809 k = 0.3400 0.3400 0.3400 ( 6121 PWs) bands (ev): -18.8904 -18.8904 -18.8278 -18.8278 -18.8278 -18.8278 -11.4623 -11.4623 -11.4621 -11.4621 -10.4284 -10.4284 -10.4243 -10.4243 -10.4239 -10.4239 -8.9227 -8.9227 -5.6538 -5.6538 -5.6007 -5.6007 -5.1612 -5.1612 -3.9857 -3.9857 -3.5593 -3.5593 -3.5508 -3.5508 -3.2482 -3.2482 -3.1872 -3.1872 -3.0715 -3.0715 3.2399 3.2399 5.4154 5.4154 5.4928 5.4928 5.5036 5.5036 8.0000 8.0000 8.7598 8.7598 8.8604 8.8604 10.7153 10.7153 10.7565 10.7565 10.9406 10.9406 11.4310 11.4310 11.4523 11.4523 k = 0.3500 0.3500 0.3500 ( 6121 PWs) bands (ev): -18.8855 -18.8855 -18.8299 -18.8299 -18.8299 -18.8299 -11.4623 -11.4623 -11.4620 -11.4620 -10.4283 -10.4283 -10.4242 -10.4242 -10.4239 -10.4239 -8.9406 -8.9406 -5.6525 -5.6525 -5.6053 -5.6053 -5.1492 -5.1492 -3.9984 -3.9984 -3.5480 -3.5480 -3.5353 -3.5353 -3.2388 -3.2388 -3.1732 -3.1732 -3.0671 -3.0671 3.2273 3.2273 5.3788 5.3788 5.4498 5.4498 5.4589 5.4589 8.0667 8.0667 8.7844 8.7844 8.8839 8.8839 10.7240 10.7240 10.7682 10.7682 10.9097 10.9097 11.4076 11.4076 11.4331 11.4331 k = 0.3600 0.3600 0.3600 ( 6109 PWs) bands (ev): -18.8808 -18.8808 -18.8319 -18.8319 -18.8319 -18.8319 -11.4622 -11.4622 -11.4620 -11.4620 -10.4283 -10.4283 -10.4242 -10.4242 -10.4239 -10.4239 -8.9576 -8.9576 -5.6515 -5.6515 -5.6100 -5.6100 -5.1375 -5.1375 -4.0106 -4.0106 -3.5370 -3.5370 -3.5216 -3.5216 -3.2295 -3.2295 -3.1584 -3.1584 -3.0625 -3.0625 3.2137 3.2137 5.3441 5.3441 5.4085 5.4085 5.4159 5.4159 8.1392 8.1392 8.8106 8.8106 8.9090 8.9090 10.7185 10.7185 10.7653 10.7653 10.8770 10.8770 11.3959 11.3959 11.4249 11.4249 k = 0.3700 0.3700 0.3700 ( 6115 PWs) bands (ev): -18.8764 -18.8764 -18.8338 -18.8338 -18.8338 -18.8338 -11.4622 -11.4622 -11.4620 -11.4620 -10.4282 -10.4282 -10.4241 -10.4241 -10.4238 -10.4238 -8.9736 -8.9736 -5.6508 -5.6508 -5.6148 -5.6148 -5.1262 -5.1262 -4.0222 -4.0222 -3.5266 -3.5266 -3.5098 -3.5098 -3.2203 -3.2203 -3.1431 -3.1431 -3.0577 -3.0577 3.1995 3.1995 5.3114 5.3114 5.3691 5.3691 5.3748 5.3748 8.2167 8.2167 8.8384 8.8384 8.9355 8.9355 10.6997 10.6997 10.7481 10.7481 10.8423 10.8423 11.3959 11.3959 11.4275 11.4275 k = 0.3800 0.3800 0.3800 ( 6109 PWs) bands (ev): -18.8722 -18.8722 -18.8356 -18.8356 -18.8356 -18.8356 -11.4621 -11.4621 -11.4620 -11.4620 -10.4281 -10.4281 -10.4240 -10.4240 -10.4238 -10.4238 -8.9887 -8.9887 -5.6504 -5.6504 -5.6195 -5.6195 -5.1154 -5.1154 -4.0331 -4.0331 -3.5166 -3.5166 -3.4996 -3.4996 -3.2110 -3.2110 -3.1276 -3.1276 -3.0527 -3.0527 3.1850 3.1850 5.2807 5.2807 5.3317 5.3317 5.3358 5.3358 8.2987 8.2987 8.8675 8.8675 8.9633 8.9633 10.6701 10.6701 10.7190 10.7190 10.8052 10.8052 11.4056 11.4056 11.4390 11.4390 k = 0.3900 0.3900 0.3900 ( 6100 PWs) bands (ev): -18.8683 -18.8683 -18.8373 -18.8373 -18.8373 -18.8373 -11.4621 -11.4621 -11.4619 -11.4619 -10.4281 -10.4281 -10.4240 -10.4240 -10.4238 -10.4238 -9.0027 -9.0027 -5.6501 -5.6501 -5.6242 -5.6242 -5.1053 -5.1053 -4.0433 -4.0433 -3.5073 -3.5073 -3.4910 -3.4910 -3.2020 -3.2020 -3.1123 -3.1123 -3.0478 -3.0478 3.1705 3.1705 5.2522 5.2522 5.2966 5.2966 5.2992 5.2992 8.3843 8.3843 8.8976 8.8976 8.9921 8.9921 10.6325 10.6325 10.6811 10.6811 10.7653 10.7653 11.4220 11.4220 11.4568 11.4568 k = 0.4000 0.4000 0.4000 ( 6082 PWs) bands (ev): -18.8646 -18.8646 -18.8388 -18.8388 -18.8388 -18.8388 -11.4620 -11.4620 -11.4619 -11.4619 -10.4280 -10.4280 -10.4239 -10.4239 -10.4237 -10.4237 -9.0157 -9.0157 -5.6501 -5.6501 -5.6286 -5.6286 -5.0958 -5.0958 -4.0528 -4.0528 -3.4987 -3.4987 -3.4837 -3.4837 -3.1933 -3.1933 -3.0974 -3.0974 -3.0429 -3.0429 3.1563 3.1563 5.2258 5.2258 5.2640 5.2640 5.2651 5.2651 8.4725 8.4725 8.9286 8.9286 9.0214 9.0214 10.5899 10.5899 10.6378 10.6378 10.7225 10.7225 11.4422 11.4422 11.4781 11.4781 k = 0.4100 0.4100 0.4100 ( 6094 PWs) bands (ev): -18.8613 -18.8613 -18.8402 -18.8402 -18.8402 -18.8402 -11.4620 -11.4620 -11.4619 -11.4619 -10.4280 -10.4280 -10.4238 -10.4238 -10.4237 -10.4237 -9.0276 -9.0276 -5.6502 -5.6502 -5.6327 -5.6327 -5.0870 -5.0870 -4.0614 -4.0614 -3.4908 -3.4908 -3.4776 -3.4776 -3.1850 -3.1850 -3.0831 -3.0831 -3.0381 -3.0381 3.1426 3.1426 5.2017 5.2017 5.2337 5.2337 5.2339 5.2339 8.5623 8.5623 8.9601 8.9601 9.0510 9.0510 10.5447 10.5447 10.5917 10.5917 10.6768 10.6768 11.4638 11.4638 11.5007 11.5007 k = 0.4200 0.4200 0.4200 ( 6100 PWs) bands (ev): -18.8582 -18.8582 -18.8415 -18.8415 -18.8415 -18.8415 -11.4620 -11.4620 -11.4619 -11.4619 -10.4279 -10.4279 -10.4238 -10.4238 -10.4237 -10.4237 -9.0383 -9.0383 -5.6504 -5.6504 -5.6365 -5.6365 -5.0790 -5.0790 -4.0693 -4.0693 -3.4836 -3.4836 -3.4725 -3.4725 -3.1772 -3.1772 -3.0696 -3.0696 -3.0335 -3.0335 3.1298 3.1298 5.1798 5.1798 5.2051 5.2051 5.2066 5.2066 8.6523 8.6523 8.9919 8.9919 9.0804 9.0804 10.4989 10.4989 10.5449 10.5449 10.6283 10.6283 11.4851 11.4851 11.5226 11.5226 k = 0.4300 0.4300 0.4300 ( 6100 PWs) bands (ev): -18.8555 -18.8555 -18.8427 -18.8427 -18.8427 -18.8427 -11.4619 -11.4619 -11.4619 -11.4619 -10.4279 -10.4279 -10.4237 -10.4237 -10.4237 -10.4237 -9.0478 -9.0478 -5.6506 -5.6506 -5.6400 -5.6400 -5.0719 -5.0719 -4.0763 -4.0763 -3.4773 -3.4773 -3.4682 -3.4682 -3.1702 -3.1702 -3.0572 -3.0572 -3.0292 -3.0292 3.1179 3.1179 5.1603 5.1603 5.1797 5.1797 5.1821 5.1821 8.7407 8.7407 9.0239 9.0239 9.1090 9.1090 10.4541 10.4541 10.4993 10.4993 10.5776 10.5776 11.5050 11.5050 11.5424 11.5424 k = 0.4400 0.4400 0.4400 ( 6088 PWs) bands (ev): -18.8532 -18.8532 -18.8437 -18.8437 -18.8437 -18.8437 -11.4619 -11.4619 -11.4618 -11.4618 -10.4279 -10.4279 -10.4237 -10.4237 -10.4236 -10.4236 -9.0562 -9.0562 -5.6509 -5.6509 -5.6431 -5.6431 -5.0657 -5.0657 -4.0824 -4.0824 -3.4717 -3.4717 -3.4648 -3.4648 -3.1639 -3.1639 -3.0461 -3.0461 -3.0252 -3.0252 3.1072 3.1072 5.1431 5.1431 5.1575 5.1575 5.1606 5.1606 8.8251 8.8251 9.0561 9.0561 9.1362 9.1362 10.4116 10.4116 10.4563 10.4563 10.5254 10.5254 11.5227 11.5227 11.5589 11.5589 k = 0.4500 0.4500 0.4500 ( 6086 PWs) bands (ev): -18.8511 -18.8511 -18.8445 -18.8445 -18.8445 -18.8445 -11.4619 -11.4619 -11.4618 -11.4618 -10.4278 -10.4278 -10.4237 -10.4237 -10.4236 -10.4236 -9.0632 -9.0632 -5.6512 -5.6512 -5.6458 -5.6458 -5.0603 -5.0603 -4.0876 -4.0876 -3.4670 -3.4670 -3.4620 -3.4620 -3.1585 -3.1585 -3.0364 -3.0364 -3.0217 -3.0217 3.0978 3.0978 5.1281 5.1281 5.1389 5.1389 5.1422 5.1422 8.9023 8.9023 9.0890 9.0890 9.1613 9.1613 10.3725 10.3725 10.4171 10.4171 10.4733 10.4733 11.5378 11.5378 11.5710 11.5710 k = 0.4600 0.4600 0.4600 ( 6086 PWs) bands (ev): -18.8495 -18.8495 -18.8452 -18.8452 -18.8452 -18.8452 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0691 -9.0691 -5.6514 -5.6514 -5.6480 -5.6480 -5.0559 -5.0559 -4.0919 -4.0919 -3.4631 -3.4631 -3.4599 -3.4599 -3.1539 -3.1539 -3.0282 -3.0282 -3.0188 -3.0188 3.0900 3.0900 5.1152 5.1152 5.1241 5.1241 5.1271 5.1271 8.9678 8.9678 9.1235 9.1235 9.1834 9.1834 10.3378 10.3378 10.3830 10.3830 10.4237 10.4237 11.5501 11.5501 11.5775 11.5775 k = 0.4700 0.4700 0.4700 ( 6092 PWs) bands (ev): -18.8482 -18.8482 -18.8458 -18.8458 -18.8458 -18.8458 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0736 -9.0736 -5.6517 -5.6517 -5.6497 -5.6497 -5.0525 -5.0525 -4.0952 -4.0952 -3.4601 -3.4601 -3.4583 -3.4583 -3.1504 -3.1504 -3.0218 -3.0218 -3.0164 -3.0164 3.0838 3.0838 5.1045 5.1045 5.1131 5.1131 5.1152 5.1152 9.0175 9.0175 9.1596 9.1596 9.2018 9.2018 10.3082 10.3082 10.3551 10.3551 10.3799 10.3799 11.5597 11.5597 11.5784 11.5784 k = 0.4800 0.4800 0.4800 ( 6092 PWs) bands (ev): -18.8472 -18.8472 -18.8461 -18.8461 -18.8461 -18.8461 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0769 -9.0769 -5.6519 -5.6519 -5.6510 -5.6510 -5.0500 -5.0500 -4.0976 -4.0976 -3.4580 -3.4580 -3.4571 -3.4571 -3.1478 -3.1478 -3.0171 -3.0171 -3.0147 -3.0147 3.0793 3.0793 5.0964 5.0964 5.1056 5.1056 5.1066 5.1066 9.0502 9.0502 9.1936 9.1936 9.2157 9.2157 10.2845 10.2845 10.3344 10.3344 10.3457 10.3457 11.5664 11.5664 11.5758 11.5758 k = 0.4900 0.4900 0.4900 ( 6104 PWs) bands (ev): -18.8467 -18.8467 -18.8464 -18.8464 -18.8464 -18.8464 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0789 -9.0789 -5.6520 -5.6520 -5.6518 -5.6518 -5.0485 -5.0485 -4.0990 -4.0990 -3.4567 -3.4567 -3.4565 -3.4565 -3.1462 -3.1462 -3.0142 -3.0142 -3.0137 -3.0137 3.0766 3.0766 5.0914 5.0914 5.1012 5.1012 5.1015 5.1015 9.0682 9.0682 9.2183 9.2183 9.2243 9.2243 10.2685 10.2685 10.3216 10.3216 10.3244 10.3244 11.5705 11.5705 11.5730 11.5730 k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev): -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0795 -9.0795 -5.6520 -5.6520 -5.6520 -5.6520 -5.0481 -5.0481 -4.0995 -4.0995 -3.4562 -3.4562 -3.4562 -3.4562 -3.1457 -3.1457 -3.0133 -3.0133 -3.0133 -3.0133 3.0757 3.0757 5.0897 5.0897 5.0998 5.0998 5.0998 5.0998 9.0740 9.0740 9.2273 9.2273 9.2273 9.2273 10.2626 10.2626 10.3172 10.3172 10.3172 10.3172 11.5718 11.5718 11.5718 11.5718 k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev): -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0795 -9.0795 -5.6520 -5.6520 -5.6520 -5.6520 -5.0481 -5.0481 -4.0995 -4.0995 -3.4562 -3.4562 -3.4562 -3.4562 -3.1457 -3.1457 -3.0133 -3.0133 -3.0133 -3.0133 3.0757 3.0757 5.0897 5.0897 5.0998 5.0998 5.0998 5.0998 9.0740 9.0740 9.2273 9.2273 9.2273 9.2273 10.2626 10.2626 10.3172 10.3172 10.3172 10.3172 11.5718 11.5718 11.5718 11.5718 k = 0.4878 0.5000 0.4878 ( 6100 PWs) bands (ev): -18.8466 -18.8466 -18.8465 -18.8465 -18.8463 -18.8463 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0789 -9.0789 -5.6520 -5.6520 -5.6518 -5.6518 -5.0485 -5.0485 -4.0990 -4.0990 -3.4567 -3.4567 -3.4564 -3.4564 -3.1462 -3.1462 -3.0142 -3.0142 -3.0137 -3.0137 3.0766 3.0766 5.0913 5.0913 5.1009 5.1009 5.1019 5.1019 9.0683 9.0683 9.2185 9.2185 9.2241 9.2241 10.2684 10.2684 10.3216 10.3216 10.3243 10.3243 11.5706 11.5706 11.5729 11.5729 k = 0.4756 0.5000 0.4756 ( 6100 PWs) bands (ev): -18.8470 -18.8470 -18.8465 -18.8465 -18.8460 -18.8460 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0769 -9.0769 -5.6518 -5.6518 -5.6510 -5.6510 -5.0500 -5.0500 -4.0976 -4.0976 -3.4580 -3.4580 -3.4570 -3.4570 -3.1478 -3.1478 -3.0169 -3.0169 -3.0148 -3.0148 3.0793 3.0793 5.0953 5.0953 5.1050 5.1050 5.1082 5.1082 9.0509 9.0509 9.1934 9.1934 9.2157 9.2157 10.2838 10.2838 10.3355 10.3355 10.3449 10.3449 11.5668 11.5668 11.5756 11.5756 k = 0.4634 0.5000 0.4634 ( 6096 PWs) bands (ev): -18.8478 -18.8478 -18.8465 -18.8465 -18.8454 -18.8454 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0737 -9.0737 -5.6516 -5.6516 -5.6498 -5.6498 -5.0525 -5.0525 -4.0952 -4.0952 -3.4603 -3.4603 -3.4581 -3.4581 -3.1504 -3.1504 -3.0213 -3.0213 -3.0167 -3.0167 3.0837 3.0837 5.0996 5.0996 5.1137 5.1137 5.1190 5.1190 9.0210 9.0210 9.1545 9.1545 9.2043 9.2043 10.3044 10.3044 10.3611 10.3611 10.3770 10.3770 11.5604 11.5604 11.5784 11.5784 k = 0.4512 0.5000 0.4512 ( 6096 PWs) bands (ev): -18.8488 -18.8488 -18.8465 -18.8465 -18.8446 -18.8446 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0692 -9.0692 -5.6513 -5.6513 -5.6482 -5.6482 -5.0559 -5.0559 -4.0919 -4.0919 -3.4634 -3.4634 -3.4595 -3.4595 -3.1540 -3.1540 -3.0273 -3.0273 -3.0194 -3.0194 3.0899 3.0899 5.1040 5.1040 5.1270 5.1270 5.1345 5.1345 8.9786 8.9786 9.1053 9.1053 9.1919 9.1919 10.3273 10.3273 10.3985 10.3985 10.4181 10.4181 11.5514 11.5514 11.5784 11.5784 k = 0.4390 0.5000 0.4390 ( 6084 PWs) bands (ev): -18.8501 -18.8501 -18.8466 -18.8466 -18.8435 -18.8435 -11.4619 -11.4619 -11.4618 -11.4618 -10.4278 -10.4278 -10.4237 -10.4237 -10.4236 -10.4236 -9.0634 -9.0634 -5.6510 -5.6510 -5.6460 -5.6460 -5.0602 -5.0602 -4.0877 -4.0877 -3.4675 -3.4675 -3.4614 -3.4614 -3.1587 -3.1587 -3.0347 -3.0347 -3.0228 -3.0228 3.0977 3.0977 5.1090 5.1090 5.1441 5.1441 5.1548 5.1548 8.9252 8.9252 9.0489 9.0489 9.1794 9.1794 10.3524 10.3524 10.4447 10.4447 10.4656 10.4656 11.5397 11.5397 11.5735 11.5735 k = 0.4268 0.5000 0.4268 ( 6084 PWs) bands (ev): -18.8516 -18.8516 -18.8466 -18.8466 -18.8422 -18.8422 -11.4619 -11.4619 -11.4618 -11.4618 -10.4279 -10.4279 -10.4237 -10.4237 -10.4236 -10.4236 -9.0565 -9.0565 -5.6506 -5.6506 -5.6435 -5.6435 -5.0655 -5.0655 -4.0825 -4.0825 -3.4726 -3.4726 -3.4637 -3.4637 -3.1644 -3.1644 -3.0433 -3.0433 -3.0268 -3.0268 3.1071 3.1071 5.1148 5.1148 5.1648 5.1648 5.1795 5.1795 8.8633 8.8633 8.9875 8.9875 9.1671 9.1671 10.3807 10.3807 10.4961 10.4961 10.5174 10.5174 11.5253 11.5253 11.5630 11.5630 k = 0.4146 0.5000 0.4146 ( 6082 PWs) bands (ev): -18.8534 -18.8534 -18.8466 -18.8466 -18.8407 -18.8407 -11.4619 -11.4619 -11.4619 -11.4619 -10.4279 -10.4279 -10.4238 -10.4238 -10.4236 -10.4236 -9.0483 -9.0483 -5.6502 -5.6502 -5.6405 -5.6405 -5.0717 -5.0717 -4.0764 -4.0764 -3.4787 -3.4787 -3.4664 -3.4664 -3.1711 -3.1711 -3.0529 -3.0529 -3.0315 -3.0315 3.1178 3.1178 5.1215 5.1215 5.1891 5.1891 5.2084 5.2084 8.7958 8.7958 8.9226 8.9226 9.1547 9.1547 10.4126 10.4126 10.5494 10.5494 10.5721 10.5721 11.5083 11.5083 11.5477 11.5477 k = 0.4024 0.5000 0.4024 ( 6086 PWs) bands (ev): -18.8555 -18.8555 -18.8467 -18.8467 -18.8391 -18.8391 -11.4620 -11.4620 -11.4619 -11.4619 -10.4279 -10.4279 -10.4238 -10.4238 -10.4237 -10.4237 -9.0390 -9.0390 -5.6499 -5.6499 -5.6371 -5.6371 -5.0787 -5.0787 -4.0695 -4.0695 -3.4859 -3.4859 -3.4696 -3.4696 -3.1788 -3.1788 -3.0632 -3.0632 -3.0367 -3.0367 3.1298 3.1298 5.1290 5.1290 5.2167 5.2167 5.2413 5.2413 8.7250 8.7250 8.8555 8.8555 9.1421 9.1421 10.4481 10.4481 10.6025 10.6025 10.6285 10.6285 11.4889 11.4889 11.5280 11.5280 k = 0.3902 0.5000 0.3902 ( 6088 PWs) bands (ev): -18.8578 -18.8578 -18.8468 -18.8468 -18.8372 -18.8372 -11.4620 -11.4620 -11.4619 -11.4619 -10.4280 -10.4280 -10.4239 -10.4239 -10.4237 -10.4237 -9.0285 -9.0285 -5.6496 -5.6496 -5.6334 -5.6334 -5.0866 -5.0866 -4.0617 -4.0617 -3.4943 -3.4943 -3.4733 -3.4733 -3.1873 -3.1873 -3.0741 -3.0741 -3.0425 -3.0425 3.1429 3.1429 5.1373 5.1373 5.2475 5.2475 5.2779 5.2779 8.6531 8.6531 8.7867 8.7867 9.1290 9.1290 10.4873 10.4873 10.6541 10.6541 10.6852 10.6852 11.4671 11.4671 11.5047 11.5047 k = 0.3780 0.5000 0.3780 ( 6088 PWs) bands (ev): -18.8603 -18.8603 -18.8468 -18.8468 -18.8351 -18.8351 -11.4621 -11.4621 -11.4619 -11.4619 -10.4280 -10.4280 -10.4239 -10.4239 -10.4237 -10.4237 -9.0170 -9.0170 -5.6494 -5.6494 -5.6293 -5.6293 -5.0952 -5.0952 -4.0531 -4.0531 -3.5040 -3.5040 -3.4774 -3.4774 -3.1966 -3.1966 -3.0853 -3.0853 -3.0488 -3.0488 3.1569 3.1569 5.1465 5.1465 5.2816 5.2816 5.3180 5.3180 8.5816 8.5816 8.7170 8.7170 9.1155 9.1155 10.5298 10.5298 10.7037 10.7037 10.7404 10.7404 11.4427 11.4427 11.4787 11.4787 k = 0.3659 0.5000 0.3659 ( 6098 PWs) bands (ev): -18.8630 -18.8630 -18.8469 -18.8469 -18.8328 -18.8328 -11.4621 -11.4621 -11.4619 -11.4619 -10.4281 -10.4281 -10.4240 -10.4240 -10.4237 -10.4237 -9.0045 -9.0045 -5.6494 -5.6494 -5.6248 -5.6248 -5.1045 -5.1045 -4.0436 -4.0436 -3.5151 -3.5151 -3.4819 -3.4819 -3.2063 -3.2063 -3.0967 -3.0967 -3.0555 -3.0555 3.1717 3.1717 5.1563 5.1563 5.3186 5.3186 5.3612 5.3612 8.5118 8.5118 8.6469 8.6469 9.1015 9.1015 10.5753 10.5753 10.7514 10.7514 10.7924 10.7924 11.4148 11.4148 11.4516 11.4516 k = 0.3537 0.5000 0.3537 ( 6100 PWs) bands (ev): -18.8659 -18.8659 -18.8470 -18.8470 -18.8304 -18.8304 -11.4621 -11.4621 -11.4620 -11.4620 -10.4281 -10.4281 -10.4241 -10.4241 -10.4238 -10.4238 -8.9911 -8.9911 -5.6497 -5.6497 -5.6201 -5.6201 -5.1145 -5.1145 -4.0334 -4.0334 -3.5277 -3.5277 -3.4868 -3.4868 -3.2163 -3.2163 -3.1081 -3.1081 -3.0625 -3.0625 3.1870 3.1870 5.1669 5.1669 5.3586 5.3586 5.4074 5.4074 8.4448 8.4448 8.5768 8.5768 9.0870 9.0870 10.6237 10.6237 10.7972 10.7972 10.8393 10.8393 11.3824 11.3824 11.4255 11.4255 k = 0.3415 0.5000 0.3415 ( 6100 PWs) bands (ev): -18.8690 -18.8690 -18.8471 -18.8471 -18.8278 -18.8278 -11.4622 -11.4622 -11.4620 -11.4620 -10.4282 -10.4282 -10.4241 -10.4241 -10.4238 -10.4238 -8.9767 -8.9767 -5.6502 -5.6502 -5.6151 -5.6151 -5.1251 -5.1251 -4.0225 -4.0225 -3.5419 -3.5419 -3.4920 -3.4920 -3.2263 -3.2263 -3.1195 -3.1195 -3.0698 -3.0698 3.2027 3.2027 5.1781 5.1781 5.4011 5.4011 5.4560 5.4560 8.3813 8.3813 8.5071 8.5071 9.0722 9.0722 10.6745 10.6745 10.8412 10.8412 10.8793 10.8793 11.3451 11.3451 11.4018 11.4018 k = 0.3293 0.5000 0.3293 ( 6116 PWs) bands (ev): -18.8722 -18.8722 -18.8471 -18.8471 -18.8251 -18.8251 -11.4622 -11.4622 -11.4620 -11.4620 -10.4283 -10.4283 -10.4242 -10.4242 -10.4238 -10.4238 -8.9616 -8.9616 -5.6510 -5.6510 -5.6098 -5.6098 -5.1362 -5.1362 -4.0110 -4.0110 -3.5579 -3.5579 -3.4974 -3.4974 -3.2359 -3.2359 -3.1309 -3.1309 -3.0773 -3.0773 3.2184 3.2184 5.1898 5.1898 5.4462 5.4462 5.5070 5.5070 8.3216 8.3216 8.4386 8.4386 9.0570 9.0570 10.7273 10.7273 10.8834 10.8834 10.9107 10.9107 11.3038 11.3038 11.3813 11.3813 k = 0.3171 0.5000 0.3171 ( 6122 PWs) bands (ev): -18.8756 -18.8756 -18.8472 -18.8472 -18.8223 -18.8223 -11.4623 -11.4623 -11.4620 -11.4620 -10.4283 -10.4283 -10.4243 -10.4243 -10.4239 -10.4239 -8.9457 -8.9457 -5.6523 -5.6523 -5.6043 -5.6043 -5.1478 -5.1478 -3.9988 -3.9988 -3.5755 -3.5755 -3.5030 -3.5030 -3.2449 -3.2449 -3.1423 -3.1423 -3.0849 -3.0849 3.2341 3.2341 5.2020 5.2020 5.4936 5.4936 5.5599 5.5599 8.2659 8.2659 8.3718 8.3718 9.0416 9.0416 10.7815 10.7815 10.9226 10.9226 10.9334 10.9334 11.2596 11.2596 11.3644 11.3644 k = 0.3049 0.5000 0.3049 ( 6126 PWs) bands (ev): -18.8791 -18.8791 -18.8473 -18.8473 -18.8194 -18.8194 -11.4623 -11.4623 -11.4621 -11.4621 -10.4284 -10.4284 -10.4243 -10.4243 -10.4239 -10.4239 -8.9291 -8.9291 -5.6540 -5.6540 -5.5986 -5.5986 -5.1597 -5.1597 -3.9861 -3.9861 -3.5948 -3.5948 -3.5088 -3.5088 -3.2533 -3.2533 -3.1537 -3.1537 -3.0926 -3.0926 3.2494 3.2494 5.2146 5.2146 5.5431 5.5431 5.6144 5.6144 8.2134 8.2134 8.3084 8.3084 9.0260 9.0260 10.8360 10.8360 10.9397 10.9397 10.9662 10.9662 11.2135 11.2135 11.3516 11.3516 k = 0.2927 0.5000 0.2927 ( 6134 PWs) bands (ev): -18.8826 -18.8826 -18.8474 -18.8474 -18.8164 -18.8164 -11.4624 -11.4624 -11.4621 -11.4621 -10.4284 -10.4284 -10.4244 -10.4244 -10.4239 -10.4239 -8.9120 -8.9120 -5.6562 -5.6562 -5.5927 -5.5927 -5.1718 -5.1718 -3.9729 -3.9729 -3.6156 -3.6156 -3.5145 -3.5145 -3.2608 -3.2608 -3.1650 -3.1650 -3.1002 -3.1002 3.2641 3.2641 5.2276 5.2276 5.5944 5.5944 5.6702 5.6702 8.1624 8.1624 8.2505 8.2505 9.0103 9.0103 10.8856 10.8856 10.9434 10.9434 11.0047 11.0047 11.1663 11.1663 11.3428 11.3428 k = 0.2805 0.5000 0.2805 ( 6126 PWs) bands (ev): -18.8863 -18.8863 -18.8475 -18.8475 -18.8133 -18.8133 -11.4624 -11.4624 -11.4621 -11.4621 -10.4285 -10.4285 -10.4245 -10.4245 -10.4239 -10.4239 -8.8944 -8.8944 -5.6590 -5.6590 -5.5866 -5.5866 -5.1841 -5.1841 -3.9593 -3.9593 -3.6378 -3.6378 -3.5203 -3.5203 -3.2676 -3.2676 -3.1761 -3.1761 -3.1078 -3.1078 3.2782 3.2782 5.2408 5.2408 5.6473 5.6473 5.7271 5.7271 8.1099 8.1099 8.2018 8.2018 8.9944 8.9944 10.9005 10.9005 10.9698 10.9698 11.0429 11.0429 11.1189 11.1189 11.3376 11.3376 k = 0.2683 0.5000 0.2683 ( 6130 PWs) bands (ev): -18.8900 -18.8900 -18.8476 -18.8476 -18.8102 -18.8102 -11.4625 -11.4625 -11.4621 -11.4621 -10.4285 -10.4285 -10.4246 -10.4246 -10.4240 -10.4240 -8.8764 -8.8764 -5.6624 -5.6624 -5.5803 -5.5803 -5.1965 -5.1965 -3.9455 -3.9455 -3.6610 -3.6610 -3.5259 -3.5259 -3.2737 -3.2737 -3.1870 -3.1870 -3.1152 -3.1152 3.2914 3.2914 5.2542 5.2542 5.7016 5.7016 5.7845 5.7845 8.0539 8.0539 8.1647 8.1647 8.9786 8.9786 10.8784 10.8784 11.0210 11.0210 11.0699 11.0699 11.0842 11.0842 11.3351 11.3351 k = 0.2561 0.5000 0.2561 ( 6130 PWs) bands (ev): -18.8937 -18.8937 -18.8477 -18.8477 -18.8071 -18.8071 -11.4625 -11.4625 -11.4622 -11.4622 -10.4286 -10.4286 -10.4246 -10.4246 -10.4240 -10.4240 -8.8581 -8.8581 -5.6665 -5.6665 -5.5739 -5.5739 -5.2088 -5.2088 -3.9315 -3.9315 -3.6850 -3.6850 -3.5313 -3.5313 -3.2795 -3.2795 -3.1974 -3.1974 -3.1224 -3.1224 3.3035 3.3035 5.2676 5.2676 5.7570 5.7570 5.8424 5.8424 7.9951 7.9951 8.1387 8.1387 8.9627 8.9627 10.8425 10.8425 11.0223 11.0223 11.0781 11.0781 11.1236 11.1236 11.3344 11.3344 k = 0.2439 0.5000 0.2439 ( 6134 PWs) bands (ev): -18.8974 -18.8974 -18.8478 -18.8478 -18.8039 -18.8039 -11.4625 -11.4625 -11.4622 -11.4622 -10.4286 -10.4286 -10.4247 -10.4247 -10.4240 -10.4240 -8.8396 -8.8396 -5.6712 -5.6712 -5.5674 -5.5674 -5.2211 -5.2211 -3.9175 -3.9175 -3.7093 -3.7093 -3.5365 -3.5365 -3.2853 -3.2853 -3.2070 -3.2070 -3.1294 -3.1294 3.3144 3.3144 5.2811 5.2811 5.8132 5.8132 5.9002 5.9002 7.9352 7.9352 8.1225 8.1225 8.9470 8.9470 10.7978 10.7978 10.9778 10.9778 11.1261 11.1261 11.1715 11.1715 11.3350 11.3350 k = 0.2317 0.5000 0.2317 ( 6130 PWs) bands (ev): -18.9011 -18.9011 -18.8479 -18.8479 -18.8007 -18.8007 -11.4626 -11.4626 -11.4622 -11.4622 -10.4287 -10.4287 -10.4248 -10.4248 -10.4241 -10.4241 -8.8210 -8.8210 -5.6766 -5.6766 -5.5607 -5.5607 -5.2331 -5.2331 -3.9039 -3.9039 -3.7335 -3.7335 -3.5414 -3.5414 -3.2916 -3.2916 -3.2154 -3.2154 -3.1361 -3.1361 3.3241 3.3241 5.2946 5.2946 5.8700 5.8700 5.9578 5.9578 7.8753 7.8753 8.1150 8.1150 8.9314 8.9314 10.7467 10.7467 10.9343 10.9343 11.1666 11.1666 11.2277 11.2277 11.3366 11.3366 k = 0.2195 0.5000 0.2195 ( 6138 PWs) bands (ev): -18.9048 -18.9048 -18.8480 -18.8480 -18.7976 -18.7976 -11.4626 -11.4626 -11.4623 -11.4623 -10.4287 -10.4287 -10.4248 -10.4248 -10.4241 -10.4241 -8.8024 -8.8024 -5.6827 -5.6827 -5.5539 -5.5539 -5.2450 -5.2450 -3.8911 -3.8911 -3.7568 -3.7568 -3.5461 -3.5461 -3.2989 -3.2989 -3.2222 -3.2222 -3.1426 -3.1426 3.3324 3.3324 5.3079 5.3079 5.9269 5.9269 6.0148 6.0148 7.8162 7.8162 8.1156 8.1156 8.9160 8.9160 10.6908 10.6908 10.8928 10.8928 11.2023 11.2023 11.2886 11.2886 11.3397 11.3397 k = 0.2073 0.5000 0.2073 ( 6138 PWs) bands (ev): -18.9084 -18.9084 -18.8482 -18.8482 -18.7945 -18.7945 -11.4626 -11.4626 -11.4623 -11.4623 -10.4287 -10.4287 -10.4249 -10.4249 -10.4241 -10.4241 -8.7839 -8.7839 -5.6894 -5.6894 -5.5470 -5.5470 -5.2566 -5.2566 -3.8803 -3.8803 -3.7778 -3.7778 -3.5504 -3.5504 -3.3075 -3.3075 -3.2271 -3.2271 -3.1487 -3.1487 3.3394 3.3394 5.3209 5.3209 5.9838 5.9838 6.0709 6.0709 7.7585 7.7585 8.1237 8.1237 8.9009 8.9009 10.6315 10.6315 10.8537 10.8537 11.2352 11.2352 11.3408 11.3408 11.3556 11.3556 k = 0.1951 0.5000 0.1951 ( 6138 PWs) bands (ev): -18.9119 -18.9119 -18.8483 -18.8483 -18.7914 -18.7914 -11.4627 -11.4627 -11.4623 -11.4623 -10.4288 -10.4288 -10.4249 -10.4249 -10.4241 -10.4241 -8.7657 -8.7657 -5.6966 -5.6966 -5.5399 -5.5399 -5.2678 -5.2678 -3.8742 -3.8742 -3.7938 -3.7938 -3.5544 -3.5544 -3.3177 -3.3177 -3.2301 -3.2301 -3.1545 -3.1545 3.3451 3.3451 5.3337 5.3337 6.0403 6.0403 6.1259 6.1259 7.7024 7.7024 8.1388 8.1388 8.8861 8.8861 10.5700 10.5700 10.8173 10.8173 11.2660 11.2660 11.3495 11.3495 11.4185 11.4185 k = 0.1829 0.5000 0.1829 ( 6150 PWs) bands (ev): -18.9153 -18.9153 -18.8484 -18.8484 -18.7885 -18.7885 -11.4627 -11.4627 -11.4623 -11.4623 -10.4288 -10.4288 -10.4250 -10.4250 -10.4242 -10.4242 -8.7478 -8.7478 -5.7043 -5.7043 -5.5328 -5.5328 -5.2788 -5.2788 -3.8769 -3.8769 -3.8003 -3.8003 -3.5580 -3.5580 -3.3292 -3.3292 -3.2314 -3.2314 -3.1598 -3.1598 3.3494 3.3494 5.3461 5.3461 6.0959 6.0959 6.1793 6.1793 7.6482 7.6482 8.1605 8.1605 8.8718 8.8718 10.5077 10.5077 10.7837 10.7837 11.2941 11.2941 11.3594 11.3594 11.4844 11.4844 k = 0.1707 0.5000 0.1707 ( 6142 PWs) bands (ev): -18.9186 -18.9186 -18.8485 -18.8485 -18.7856 -18.7856 -11.4627 -11.4627 -11.4624 -11.4624 -10.4288 -10.4288 -10.4250 -10.4250 -10.4242 -10.4242 -8.7304 -8.7304 -5.7124 -5.7124 -5.5256 -5.5256 -5.2894 -5.2894 -3.8890 -3.8890 -3.7966 -3.7966 -3.5612 -3.5612 -3.3420 -3.3420 -3.2312 -3.2312 -3.1647 -3.1647 3.3526 3.3526 5.3580 5.3580 6.1505 6.1505 6.2311 6.2311 7.5962 7.5962 8.1883 8.1883 8.8581 8.8581 10.4454 10.4454 10.7531 10.7531 11.3185 11.3185 11.3737 11.3737 11.5513 11.5513 k = 0.1585 0.5000 0.1585 ( 6140 PWs) bands (ev): -18.9217 -18.9217 -18.8485 -18.8485 -18.7829 -18.7829 -11.4627 -11.4627 -11.4624 -11.4624 -10.4289 -10.4289 -10.4250 -10.4250 -10.4242 -10.4242 -8.7135 -8.7135 -5.7208 -5.7208 -5.5183 -5.5183 -5.2996 -5.2996 -3.9064 -3.9064 -3.7868 -3.7868 -3.5641 -3.5641 -3.3556 -3.3556 -3.2301 -3.2301 -3.1691 -3.1691 3.3547 3.3547 5.3695 5.3695 6.2035 6.2035 6.2808 6.2808 7.5465 7.5465 8.2214 8.2214 8.8451 8.8451 10.3841 10.3841 10.7254 10.7254 11.3388 11.3388 11.3932 11.3932 11.6188 11.6188 k = 0.1463 0.5000 0.1463 ( 6152 PWs) bands (ev): -18.9248 -18.9248 -18.8486 -18.8486 -18.7803 -18.7803 -11.4627 -11.4627 -11.4624 -11.4624 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.6974 -8.6974 -5.7293 -5.7293 -5.5110 -5.5110 -5.3095 -5.3095 -3.9254 -3.9254 -3.7743 -3.7743 -3.5667 -3.5667 -3.3700 -3.3700 -3.2283 -3.2283 -3.1729 -3.1729 3.3557 3.3557 5.3803 5.3803 6.2547 6.2547 6.3283 6.3283 7.4993 7.4993 8.2591 8.2591 8.8331 8.8331 10.3247 10.3247 10.7007 10.7007 11.3561 11.3561 11.4167 11.4167 11.6868 11.6868 k = 0.1341 0.5000 0.1341 ( 6140 PWs) bands (ev): -18.9276 -18.9276 -18.8487 -18.8487 -18.7778 -18.7778 -11.4627 -11.4627 -11.4624 -11.4624 -10.4289 -10.4289 -10.4251 -10.4251 -10.4242 -10.4242 -8.6820 -8.6820 -5.7378 -5.7378 -5.5036 -5.5036 -5.3192 -5.3192 -3.9444 -3.9444 -3.7606 -3.7606 -3.5689 -3.5689 -3.3848 -3.3848 -3.2263 -3.2263 -3.1760 -3.1760 3.3559 3.3559 5.3906 5.3906 6.3036 6.3036 6.3732 6.3732 7.4549 7.4549 8.3004 8.3004 8.8222 8.8222 10.2679 10.2679 10.6790 10.6790 11.3722 11.3722 11.4422 11.4422 11.7551 11.7551 k = 0.1220 0.5000 0.1220 ( 6140 PWs) bands (ev): -18.9302 -18.9302 -18.8488 -18.8488 -18.7755 -18.7755 -11.4627 -11.4627 -11.4625 -11.4625 -10.4289 -10.4289 -10.4251 -10.4251 -10.4243 -10.4243 -8.6676 -8.6676 -5.7462 -5.7462 -5.4961 -5.4961 -5.3285 -5.3285 -3.9628 -3.9628 -3.7462 -3.7462 -3.5707 -3.5707 -3.4001 -3.4001 -3.2243 -3.2243 -3.1782 -3.1782 3.3554 3.3554 5.4001 5.4001 6.3498 6.3498 6.4154 6.4154 7.4134 7.4134 8.3442 8.3442 8.8127 8.8127 10.2142 10.2142 10.6600 10.6600 11.3885 11.3885 11.4682 11.4682 11.8234 11.8234 k = 0.1098 0.5000 0.1098 ( 6148 PWs) bands (ev): -18.9326 -18.9326 -18.8489 -18.8489 -18.7733 -18.7733 -11.4628 -11.4628 -11.4625 -11.4625 -10.4289 -10.4289 -10.4252 -10.4252 -10.4243 -10.4243 -8.6541 -8.6541 -5.7543 -5.7543 -5.4886 -5.4886 -5.3376 -5.3376 -3.9801 -3.9801 -3.7317 -3.7317 -3.5722 -3.5722 -3.4156 -3.4156 -3.2226 -3.2226 -3.1796 -3.1796 3.3544 3.3544 5.4089 5.4089 6.3930 6.3930 6.4547 6.4547 7.3751 7.3751 8.3893 8.3893 8.8051 8.8051 10.1643 10.1643 10.6437 10.6437 11.4054 11.4054 11.4939 11.4939 11.8916 11.8916 k = 0.0976 0.5000 0.0976 ( 6140 PWs) bands (ev): -18.9349 -18.9349 -18.8489 -18.8489 -18.7714 -18.7714 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6418 -8.6418 -5.7620 -5.7620 -5.4811 -5.4811 -5.3465 -5.3465 -3.9959 -3.9959 -3.7171 -3.7171 -3.5733 -3.5733 -3.4312 -3.4312 -3.2215 -3.2215 -3.1801 -3.1801 3.3529 3.3529 5.4169 5.4169 6.4327 6.4327 6.4908 6.4908 7.3400 7.3400 8.4340 8.4340 8.7996 8.7996 10.1186 10.1186 10.6298 10.6298 11.4230 11.4230 11.5186 11.5186 11.9591 11.9591 k = 0.0854 0.5000 0.0854 ( 6132 PWs) bands (ev): -18.9368 -18.9368 -18.8490 -18.8490 -18.7696 -18.7696 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6307 -8.6307 -5.7691 -5.7691 -5.4735 -5.4735 -5.3551 -5.3551 -4.0103 -4.0103 -3.7027 -3.7027 -3.5739 -3.5739 -3.4468 -3.4468 -3.2209 -3.2209 -3.1797 -3.1797 3.3513 3.3513 5.4240 5.4240 6.4686 6.4686 6.5235 6.5235 7.3083 7.3083 8.4767 8.4767 8.7970 8.7970 10.0774 10.0774 10.6183 10.6183 11.4410 11.4410 11.5416 11.5416 12.0253 12.0254 k = 0.0732 0.5000 0.0732 ( 6128 PWs) bands (ev): -18.9386 -18.9386 -18.8491 -18.8491 -18.7681 -18.7681 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6209 -8.6209 -5.7755 -5.7755 -5.4660 -5.4660 -5.3635 -5.3635 -4.0229 -4.0229 -3.6887 -3.6887 -3.5740 -3.5740 -3.4624 -3.4624 -3.2208 -3.2208 -3.1786 -3.1786 3.3495 3.3495 5.4303 5.4303 6.5003 6.5003 6.5527 6.5527 7.2803 7.2803 8.5152 8.5152 8.7976 8.7976 10.0411 10.0411 10.6088 10.6088 11.4592 11.4592 11.5625 11.5625 11.9815 11.9815 k = 0.0610 0.5000 0.0610 ( 6136 PWs) bands (ev): -18.9401 -18.9401 -18.8491 -18.8491 -18.7668 -18.7668 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6124 -8.6124 -5.7812 -5.7812 -5.4585 -5.4585 -5.3717 -5.3717 -4.0337 -4.0337 -3.6752 -3.6752 -3.5735 -3.5735 -3.4778 -3.4778 -3.2210 -3.2210 -3.1772 -3.1772 3.3477 3.3477 5.4357 5.4357 6.5276 6.5276 6.5780 6.5780 7.2562 7.2562 8.5479 8.5479 8.8019 8.8019 10.0100 10.0100 10.6013 10.6013 11.4769 11.4769 11.5804 11.5804 11.9264 11.9264 k = 0.0488 0.5000 0.0488 ( 6134 PWs) bands (ev): -18.9413 -18.9413 -18.8491 -18.8491 -18.7657 -18.7657 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.6054 -8.6054 -5.7860 -5.7860 -5.4512 -5.4512 -5.3796 -5.3796 -4.0427 -4.0427 -3.6628 -3.6628 -3.5721 -3.5721 -3.4928 -3.4928 -3.2214 -3.2214 -3.1757 -3.1757 3.3461 3.3461 5.4401 5.4401 6.5502 6.5502 6.5993 6.5993 7.2361 7.2361 8.5736 8.5736 8.8094 8.8094 9.9843 9.9843 10.5954 10.5954 11.4933 11.4933 11.5945 11.5945 11.8779 11.8779 k = 0.0366 0.5000 0.0366 ( 6124 PWs) bands (ev): -18.9423 -18.9423 -18.8492 -18.8492 -18.7649 -18.7649 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5999 -8.5999 -5.7898 -5.7898 -5.4441 -5.4441 -5.3871 -5.3871 -4.0497 -4.0497 -3.6520 -3.6520 -3.5695 -3.5695 -3.5072 -3.5072 -3.2219 -3.2219 -3.1743 -3.1743 3.3448 3.3448 5.4436 5.4436 6.5679 6.5679 6.6162 6.6162 7.2202 7.2202 8.5920 8.5920 8.8189 8.8189 9.9641 9.9641 10.5910 10.5910 11.5076 11.5076 11.6043 11.6043 11.8389 11.8389 k = 0.0244 0.5000 0.0244 ( 6130 PWs) bands (ev): -18.9430 -18.9430 -18.8492 -18.8492 -18.7642 -18.7642 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5959 -8.5959 -5.7925 -5.7925 -5.4376 -5.4376 -5.3938 -5.3938 -4.0548 -4.0548 -3.6434 -3.6434 -3.5654 -3.5654 -3.5206 -3.5206 -3.2223 -3.2223 -3.1732 -3.1732 3.3438 3.3438 5.4461 5.4461 6.5806 6.5806 6.6285 6.6285 7.2087 7.2087 8.6038 8.6038 8.8281 8.8281 9.9496 9.9496 10.5880 10.5880 11.5188 11.5188 11.6097 11.6097 11.8111 11.8111 k = 0.0122 0.5000 0.0122 ( 6126 PWs) bands (ev): -18.9434 -18.9434 -18.8492 -18.8492 -18.7639 -18.7639 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5935 -8.5935 -5.7942 -5.7942 -5.4325 -5.4325 -5.3991 -5.3991 -4.0578 -4.0578 -3.6379 -3.6379 -3.5601 -3.5601 -3.5318 -3.5318 -3.2226 -3.2226 -3.1725 -3.1725 3.3431 3.3431 5.4476 5.4476 6.5883 6.5883 6.6360 6.6360 7.2018 7.2018 8.6103 8.6103 8.8348 8.8348 9.9408 9.9408 10.5863 10.5863 11.5261 11.5261 11.6117 11.6117 11.7949 11.7949 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -18.9435 -18.9435 -18.8492 -18.8492 -18.7637 -18.7637 -11.4628 -11.4628 -11.4625 -11.4625 -10.4290 -10.4290 -10.4252 -10.4252 -10.4243 -10.4243 -8.5927 -8.5927 -5.7947 -5.7947 -5.4304 -5.4304 -5.4012 -5.4012 -4.0588 -4.0588 -3.6359 -3.6359 -3.5567 -3.5567 -3.5373 -3.5373 -3.2227 -3.2227 -3.1722 -3.1722 3.3429 3.3429 5.4481 5.4481 6.5908 6.5908 6.6386 6.6386 7.1994 7.1994 8.6124 8.6124 8.8372 8.8372 9.9379 9.9379 10.5857 10.5857 11.5286 11.5286 11.6120 11.6120 11.7897 11.7897 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -18.8542 -18.8542 -18.8478 -18.8478 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8378 -8.8378 -5.6254 -5.6254 -5.6036 -5.6036 -5.2341 -5.2341 -3.8412 -3.8412 -3.6934 -3.6934 -3.6002 -3.6002 -3.3691 -3.3691 -3.2082 -3.2082 -3.0808 -3.0808 3.4163 3.4163 5.2673 5.2673 5.2889 5.2889 6.4942 6.4942 8.0223 8.0223 8.1093 8.1093 8.2535 8.2535 11.1296 11.1296 11.2013 11.2013 11.5877 11.5877 11.6456 11.6456 11.8364 11.8364 k = 0.5000 0.5000 0.0172 ( 6152 PWs) bands (ev): -18.8542 -18.8542 -18.8477 -18.8477 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8386 -8.8386 -5.6254 -5.6254 -5.6036 -5.6036 -5.2335 -5.2335 -3.8428 -3.8428 -3.6925 -3.6925 -3.5990 -3.5990 -3.3686 -3.3686 -3.2077 -3.2077 -3.0808 -3.0808 3.4152 3.4152 5.2668 5.2668 5.2884 5.2884 6.4896 6.4896 8.0244 8.0244 8.1112 8.1112 8.2558 8.2558 11.1298 11.1298 11.2015 11.2015 11.5817 11.5817 11.6442 11.6442 11.7504 11.7504 k = 0.5000 0.5000 0.0345 ( 6144 PWs) bands (ev): -18.8541 -18.8541 -18.8477 -18.8477 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8409 -8.8409 -5.6257 -5.6257 -5.6036 -5.6036 -5.2319 -5.2319 -3.8474 -3.8474 -3.6900 -3.6900 -3.5953 -3.5953 -3.3672 -3.3672 -3.2061 -3.2061 -3.0807 -3.0807 3.4119 3.4119 5.2652 5.2652 5.2867 5.2867 6.4757 6.4757 8.0307 8.0307 8.1171 8.1171 8.2629 8.2629 11.1305 11.1305 11.2023 11.2023 11.5572 11.5572 11.6399 11.6399 11.6754 11.6754 k = 0.5000 0.5000 0.0517 ( 6140 PWs) bands (ev): -18.8540 -18.8540 -18.8477 -18.8477 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8448 -8.8448 -5.6260 -5.6260 -5.6037 -5.6037 -5.2292 -5.2292 -3.8546 -3.8546 -3.6858 -3.6858 -3.5896 -3.5896 -3.3648 -3.3648 -3.2033 -3.2033 -3.0805 -3.0805 3.4064 3.4064 5.2627 5.2627 5.2840 5.2840 6.4530 6.4530 8.0412 8.0412 8.1268 8.1268 8.2746 8.2746 11.1314 11.1314 11.2034 11.2034 11.5005 11.5005 11.6328 11.6328 11.6329 11.6329 k = 0.5000 0.5000 0.0690 ( 6132 PWs) bands (ev): -18.8538 -18.8538 -18.8477 -18.8477 -18.8477 -18.8477 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4251 -10.4251 -10.4239 -10.4239 -8.8501 -8.8501 -5.6265 -5.6265 -5.6038 -5.6038 -5.2255 -5.2255 -3.8641 -3.8641 -3.6800 -3.6800 -3.5824 -3.5824 -3.3614 -3.3614 -3.1996 -3.1996 -3.0802 -3.0802 3.3989 3.3989 5.2591 5.2591 5.2801 5.2801 6.4217 6.4217 8.0559 8.0559 8.1405 8.1405 8.2909 8.2909 11.1325 11.1325 11.2047 11.2047 11.4229 11.4229 11.6116 11.6116 11.6231 11.6231 k = 0.5000 0.5000 0.0862 ( 6140 PWs) bands (ev): -18.8536 -18.8536 -18.8477 -18.8477 -18.8476 -18.8476 -11.4628 -11.4628 -11.4621 -11.4621 -10.4288 -10.4288 -10.4250 -10.4250 -10.4238 -10.4238 -8.8567 -8.8567 -5.6272 -5.6272 -5.6041 -5.6041 -5.2207 -5.2207 -3.8753 -3.8753 -3.6726 -3.6726 -3.5740 -3.5740 -3.3570 -3.3570 -3.1948 -3.1948 -3.0798 -3.0798 3.3894 3.3894 5.2547 5.2547 5.2753 5.2753 6.3824 6.3824 8.0745 8.0745 8.1580 8.1580 8.3116 8.3116 11.1332 11.1332 11.2060 11.2060 11.3410 11.3410 11.5960 11.5960 11.6107 11.6107 k = 0.5000 0.5000 0.1034 ( 6132 PWs) bands (ev): -18.8534 -18.8534 -18.8476 -18.8476 -18.8476 -18.8476 -11.4627 -11.4627 -11.4621 -11.4621 -10.4287 -10.4287 -10.4250 -10.4250 -10.4238 -10.4238 -8.8646 -8.8646 -5.6280 -5.6280 -5.6045 -5.6045 -5.2149 -5.2149 -3.8877 -3.8877 -3.6639 -3.6639 -3.5649 -3.5649 -3.3517 -3.3517 -3.1890 -3.1890 -3.0794 -3.0794 3.3781 3.3781 5.2493 5.2493 5.2695 5.2695 6.3357 6.3357 8.0970 8.0970 8.1794 8.1794 8.3367 8.3367 11.1327 11.1327 11.2067 11.2067 11.2606 11.2606 11.5810 11.5810 11.5959 11.5959 k = 0.5000 0.5000 0.1207 ( 6132 PWs) bands (ev): -18.8531 -18.8531 -18.8476 -18.8476 -18.8475 -18.8475 -11.4627 -11.4627 -11.4621 -11.4621 -10.4287 -10.4287 -10.4249 -10.4249 -10.4238 -10.4238 -8.8737 -8.8737 -5.6289 -5.6289 -5.6052 -5.6052 -5.2082 -5.2082 -3.9010 -3.9010 -3.6539 -3.6539 -3.5556 -3.5556 -3.3454 -3.3454 -3.1822 -3.1822 -3.0788 -3.0788 3.3652 3.3652 5.2431 5.2431 5.2629 5.2629 6.2823 6.2823 8.1233 8.1233 8.2046 8.2046 8.3658 8.3658 11.1273 11.1273 11.1865 11.1865 11.2063 11.2063 11.5652 11.5652 11.5793 11.5793 k = 0.5000 0.5000 0.1379 ( 6116 PWs) bands (ev): -18.8528 -18.8528 -18.8475 -18.8475 -18.8475 -18.8475 -11.4627 -11.4627 -11.4620 -11.4620 -10.4286 -10.4286 -10.4248 -10.4248 -10.4238 -10.4238 -8.8838 -8.8838 -5.6299 -5.6299 -5.6062 -5.6062 -5.2006 -5.2006 -3.9149 -3.9149 -3.6427 -3.6427 -3.5462 -3.5462 -3.3381 -3.3381 -3.1746 -3.1746 -3.0781 -3.0781 3.3508 3.3508 5.2362 5.2362 5.2554 5.2554 6.2232 6.2232 8.1533 8.1533 8.2336 8.2336 8.3989 8.3989 11.0903 11.0903 11.1453 11.1453 11.2038 11.2038 11.5485 11.5485 11.5615 11.5615 k = 0.5000 0.5000 0.1552 ( 6104 PWs) bands (ev): -18.8525 -18.8525 -18.8475 -18.8475 -18.8474 -18.8474 -11.4626 -11.4626 -11.4620 -11.4620 -10.4286 -10.4286 -10.4248 -10.4248 -10.4238 -10.4238 -8.8948 -8.8948 -5.6310 -5.6310 -5.6074 -5.6074 -5.1923 -5.1923 -3.9291 -3.9291 -3.6307 -3.6307 -3.5371 -3.5371 -3.3298 -3.3298 -3.1661 -3.1661 -3.0773 -3.0773 3.3352 3.3352 5.2286 5.2286 5.2472 5.2472 6.1591 6.1591 8.1867 8.1867 8.2663 8.2663 8.4356 8.4356 11.0228 11.0228 11.1353 11.1353 11.1982 11.1982 11.5315 11.5315 11.5435 11.5435 k = 0.5000 0.5000 0.1724 ( 6104 PWs) bands (ev): -18.8521 -18.8521 -18.8474 -18.8474 -18.8474 -18.8474 -11.4626 -11.4626 -11.4620 -11.4620 -10.4285 -10.4285 -10.4247 -10.4247 -10.4238 -10.4238 -8.9066 -8.9066 -5.6322 -5.6322 -5.6090 -5.6090 -5.1833 -5.1833 -3.9433 -3.9433 -3.6179 -3.6179 -3.5283 -3.5283 -3.3205 -3.3205 -3.1570 -3.1570 -3.0764 -3.0764 3.3186 3.3186 5.2205 5.2205 5.2384 5.2384 6.0909 6.0909 8.2236 8.2236 8.3026 8.3026 8.4757 8.4757 10.9541 10.9541 11.1262 11.1262 11.1880 11.1880 11.5148 11.5148 11.5267 11.5267 k = 0.5000 0.5000 0.1897 ( 6112 PWs) bands (ev): -18.8518 -18.8518 -18.8473 -18.8473 -18.8473 -18.8473 -11.4625 -11.4625 -11.4620 -11.4620 -10.4285 -10.4285 -10.4246 -10.4246 -10.4238 -10.4238 -8.9189 -8.9189 -5.6335 -5.6335 -5.6110 -5.6110 -5.1737 -5.1737 -3.9574 -3.9574 -3.6046 -3.6046 -3.5200 -3.5200 -3.3102 -3.3102 -3.1473 -3.1473 -3.0752 -3.0752 3.3012 3.3012 5.2118 5.2118 5.2290 5.2290 6.0197 6.0197 8.2637 8.2637 8.3425 8.3425 8.5186 8.5186 10.8879 10.8879 11.1132 11.1132 11.1717 11.1717 11.4997 11.4997 11.5125 11.5125 k = 0.5000 0.5000 0.2069 ( 6104 PWs) bands (ev): -18.8514 -18.8514 -18.8473 -18.8473 -18.8473 -18.8473 -11.4625 -11.4625 -11.4620 -11.4620 -10.4284 -10.4284 -10.4246 -10.4246 -10.4238 -10.4238 -8.9316 -8.9316 -5.6348 -5.6348 -5.6132 -5.6132 -5.1638 -5.1638 -3.9712 -3.9712 -3.5910 -3.5910 -3.5122 -3.5122 -3.2991 -3.2991 -3.1371 -3.1371 -3.0739 -3.0739 3.2832 3.2832 5.2029 5.2029 5.2193 5.2193 5.9462 5.9462 8.3068 8.3068 8.3857 8.3857 8.5642 8.5642 10.8248 10.8248 11.0942 11.0942 11.1479 11.1479 11.4872 11.4872 11.5023 11.5023 k = 0.5000 0.5000 0.2241 ( 6120 PWs) bands (ev): -18.8510 -18.8510 -18.8472 -18.8472 -18.8472 -18.8472 -11.4624 -11.4624 -11.4620 -11.4620 -10.4284 -10.4284 -10.4245 -10.4245 -10.4237 -10.4237 -8.9446 -8.9446 -5.6362 -5.6362 -5.6157 -5.6157 -5.1535 -5.1535 -3.9847 -3.9847 -3.5774 -3.5774 -3.5050 -3.5050 -3.2870 -3.2870 -3.1266 -3.1266 -3.0724 -3.0724 3.2649 3.2649 5.1936 5.1936 5.2093 5.2093 5.8713 5.8713 8.3528 8.3528 8.4323 8.4323 8.6119 8.6119 10.7651 10.7651 11.0684 11.0684 11.1161 11.1161 11.4783 11.4783 11.4967 11.4967 k = 0.5000 0.5000 0.2414 ( 6120 PWs) bands (ev): -18.8505 -18.8505 -18.8471 -18.8471 -18.8471 -18.8471 -11.4623 -11.4623 -11.4620 -11.4620 -10.4283 -10.4283 -10.4244 -10.4244 -10.4237 -10.4237 -8.9577 -8.9577 -5.6376 -5.6376 -5.6185 -5.6185 -5.1432 -5.1432 -3.9977 -3.9977 -3.5639 -3.5639 -3.4984 -3.4984 -3.2743 -3.2743 -3.1159 -3.1159 -3.0706 -3.0706 3.2464 3.2464 5.1842 5.1842 5.1991 5.1991 5.7961 5.7961 8.4014 8.4014 8.4819 8.4819 8.6612 8.6612 10.7088 10.7088 11.0350 11.0350 11.0764 11.0764 11.4735 11.4735 11.4958 11.4958 k = 0.5000 0.5000 0.2586 ( 6112 PWs) bands (ev): -18.8501 -18.8501 -18.8471 -18.8471 -18.8471 -18.8471 -11.4623 -11.4623 -11.4619 -11.4619 -10.4283 -10.4283 -10.4243 -10.4243 -10.4237 -10.4237 -8.9707 -8.9707 -5.6391 -5.6391 -5.6214 -5.6214 -5.1329 -5.1329 -4.0101 -4.0101 -3.5508 -3.5508 -3.4924 -3.4924 -3.2610 -3.2610 -3.1052 -3.1052 -3.0685 -3.0685 3.2281 3.2281 5.1748 5.1748 5.1888 5.1888 5.7212 5.7212 8.4525 8.4525 8.5343 8.5343 8.7118 8.7118 10.6560 10.6560 10.9943 10.9943 11.0296 11.0296 11.4727 11.4727 11.4989 11.4989 k = 0.5000 0.5000 0.2759 ( 6108 PWs) bands (ev): -18.8497 -18.8497 -18.8470 -18.8470 -18.8470 -18.8470 -11.4622 -11.4622 -11.4619 -11.4619 -10.4282 -10.4282 -10.4242 -10.4242 -10.4237 -10.4237 -8.9835 -8.9835 -5.6405 -5.6405 -5.6245 -5.6245 -5.1227 -5.1227 -4.0219 -4.0219 -3.5382 -3.5382 -3.4869 -3.4869 -3.2473 -3.2473 -3.0945 -3.0945 -3.0660 -3.0660 3.2100 3.2100 5.1654 5.1654 5.1786 5.1786 5.6476 5.6476 8.5058 8.5058 8.5894 8.5894 8.7631 8.7631 10.6067 10.6067 10.9468 10.9468 10.9766 10.9766 11.4755 11.4755 11.5053 11.5053 k = 0.5000 0.5000 0.2931 ( 6092 PWs) bands (ev): -18.8493 -18.8493 -18.8469 -18.8469 -18.8469 -18.8469 -11.4622 -11.4622 -11.4619 -11.4619 -10.4281 -10.4281 -10.4241 -10.4241 -10.4237 -10.4237 -8.9960 -8.9960 -5.6419 -5.6419 -5.6277 -5.6277 -5.1128 -5.1128 -4.0329 -4.0329 -3.5263 -3.5263 -3.4820 -3.4820 -3.2336 -3.2336 -3.0841 -3.0841 -3.0631 -3.0631 3.1925 3.1925 5.1563 5.1563 5.1686 5.1686 5.5760 5.5760 8.5608 8.5608 8.6468 8.6468 8.8145 8.8145 10.5609 10.5609 10.8936 10.8936 10.9188 10.9188 11.4813 11.4813 11.5140 11.5140 k = 0.5000 0.5000 0.3103 ( 6084 PWs) bands (ev): -18.8489 -18.8489 -18.8469 -18.8469 -18.8469 -18.8469 -11.4621 -11.4621 -11.4619 -11.4619 -10.4281 -10.4281 -10.4241 -10.4241 -10.4237 -10.4237 -9.0080 -9.0080 -5.6433 -5.6433 -5.6308 -5.6308 -5.1034 -5.1034 -4.0433 -4.0433 -3.5152 -3.5152 -3.4776 -3.4776 -3.2200 -3.2200 -3.0740 -3.0740 -3.0597 -3.0597 3.1756 3.1756 5.1474 5.1474 5.1590 5.1590 5.5072 5.5072 8.6172 8.6172 8.7061 8.7061 8.8655 8.8655 10.5186 10.5186 10.8356 10.8356 10.8572 10.8572 11.4892 11.4892 11.5243 11.5243 k = 0.5000 0.5000 0.3276 ( 6084 PWs) bands (ev): -18.8485 -18.8485 -18.8468 -18.8468 -18.8468 -18.8468 -11.4621 -11.4621 -11.4619 -11.4619 -10.4280 -10.4280 -10.4240 -10.4240 -10.4237 -10.4237 -9.0194 -9.0194 -5.6447 -5.6447 -5.6340 -5.6340 -5.0944 -5.0944 -4.0528 -4.0528 -3.5050 -3.5050 -3.4736 -3.4736 -3.2070 -3.2070 -3.0644 -3.0644 -3.0557 -3.0557 3.1597 3.1597 5.1389 5.1389 5.1497 5.1497 5.4419 5.4419 8.6746 8.6746 8.7669 8.7669 8.9156 8.9156 10.4799 10.4799 10.7740 10.7740 10.7930 10.7930 11.4986 11.4986 11.5353 11.5353 k = 0.5000 0.5000 0.3448 ( 6092 PWs) bands (ev): -18.8482 -18.8482 -18.8467 -18.8467 -18.8467 -18.8467 -11.4620 -11.4620 -11.4619 -11.4619 -10.4280 -10.4280 -10.4239 -10.4239 -10.4236 -10.4236 -9.0301 -9.0301 -5.6459 -5.6459 -5.6370 -5.6370 -5.0861 -5.0861 -4.0615 -4.0615 -3.4957 -3.4957 -3.4702 -3.4702 -3.1949 -3.1949 -3.0554 -3.0554 -3.0512 -3.0512 3.1447 3.1447 5.1309 5.1309 5.1410 5.1410 5.3806 5.3806 8.7321 8.7321 8.8287 8.8287 8.9641 8.9641 10.4447 10.4447 10.7101 10.7101 10.7274 10.7274 11.5089 11.5089 11.5465 11.5465 k = 0.5000 0.5000 0.3621 ( 6092 PWs) bands (ev): -18.8478 -18.8478 -18.8467 -18.8467 -18.8467 -18.8467 -11.4620 -11.4620 -11.4619 -11.4619 -10.4279 -10.4279 -10.4238 -10.4238 -10.4236 -10.4236 -9.0400 -9.0400 -5.6471 -5.6471 -5.6398 -5.6398 -5.0784 -5.0784 -4.0694 -4.0694 -3.4874 -3.4874 -3.4671 -3.4671 -3.1840 -3.1840 -3.0470 -3.0470 -3.0461 -3.0461 3.1309 3.1309 5.1235 5.1235 5.1329 5.1329 5.3241 5.3241 8.7892 8.7892 8.8907 8.8907 9.0105 9.0105 10.4131 10.4131 10.6450 10.6450 10.6615 10.6615 11.5196 11.5196 11.5572 11.5572 k = 0.5000 0.5000 0.3793 ( 6092 PWs) bands (ev): -18.8475 -18.8475 -18.8466 -18.8466 -18.8466 -18.8466 -11.4619 -11.4619 -11.4618 -11.4618 -10.4279 -10.4279 -10.4238 -10.4238 -10.4236 -10.4236 -9.0489 -9.0489 -5.6482 -5.6482 -5.6425 -5.6425 -5.0715 -5.0715 -4.0764 -4.0764 -3.4801 -3.4801 -3.4645 -3.4645 -3.1744 -3.1744 -3.0406 -3.0406 -3.0395 -3.0395 3.1185 3.1185 5.1167 5.1167 5.1255 5.1255 5.2729 5.2729 8.8447 8.8447 8.9520 8.9520 9.0542 9.0542 10.3849 10.3849 10.5801 10.5801 10.5966 10.5966 11.5301 11.5301 11.5665 11.5665 k = 0.5000 0.5000 0.3966 ( 6100 PWs) bands (ev): -18.8473 -18.8473 -18.8466 -18.8466 -18.8466 -18.8466 -11.4619 -11.4619 -11.4618 -11.4618 -10.4279 -10.4279 -10.4237 -10.4237 -10.4236 -10.4236 -9.0568 -9.0568 -5.6492 -5.6492 -5.6449 -5.6449 -5.0654 -5.0654 -4.0825 -4.0825 -3.4737 -3.4737 -3.4622 -3.4622 -3.1663 -3.1663 -3.0349 -3.0349 -3.0327 -3.0327 3.1074 3.1074 5.1106 5.1106 5.1189 5.1189 5.2275 5.2275 8.8976 8.8976 9.0116 9.0116 9.0946 9.0946 10.3600 10.3600 10.5172 10.5172 10.5342 10.5342 11.5400 11.5400 11.5738 11.5738 k = 0.5000 0.5000 0.4138 ( 6088 PWs) bands (ev): -18.8470 -18.8470 -18.8466 -18.8466 -18.8466 -18.8466 -11.4619 -11.4619 -11.4618 -11.4618 -10.4278 -10.4278 -10.4237 -10.4237 -10.4236 -10.4236 -9.0636 -9.0636 -5.6500 -5.6500 -5.6470 -5.6470 -5.0602 -5.0602 -4.0877 -4.0877 -3.4684 -3.4684 -3.4604 -3.4604 -3.1596 -3.1596 -3.0293 -3.0293 -3.0269 -3.0269 3.0979 3.0979 5.1053 5.1053 5.1132 5.1132 5.1883 5.1883 8.9465 8.9465 9.0680 9.0680 9.1311 9.1311 10.3382 10.3382 10.4582 10.4582 10.4759 10.4759 11.5491 11.5491 11.5781 11.5781 k = 0.5000 0.5000 0.4310 ( 6088 PWs) bands (ev): -18.8468 -18.8468 -18.8465 -18.8465 -18.8465 -18.8465 -11.4619 -11.4619 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0693 -9.0693 -5.6507 -5.6507 -5.6488 -5.6488 -5.0558 -5.0558 -4.0919 -4.0919 -3.4640 -3.4640 -3.4589 -3.4589 -3.1544 -3.1544 -3.0241 -3.0241 -3.0221 -3.0221 3.0900 3.0900 5.1008 5.1008 5.1084 5.1084 5.1558 5.1558 8.9895 8.9895 9.1194 9.1194 9.1631 9.1631 10.3189 10.3189 10.4058 10.4058 10.4236 10.4236 11.5569 11.5569 11.5791 11.5791 k = 0.5000 0.5000 0.4483 ( 6088 PWs) bands (ev): -18.8467 -18.8467 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0737 -9.0737 -5.6513 -5.6513 -5.6502 -5.6502 -5.0524 -5.0524 -4.0952 -4.0952 -3.4606 -3.4606 -3.4577 -3.4577 -3.1505 -3.1505 -3.0196 -3.0196 -3.0183 -3.0183 3.0838 3.0838 5.0971 5.0971 5.1047 5.1047 5.1304 5.1304 9.0252 9.0252 9.1635 9.1635 9.1897 9.1897 10.3008 10.3008 10.3637 10.3637 10.3795 10.3795 11.5633 11.5633 11.5775 11.5775 k = 0.5000 0.5000 0.4655 ( 6088 PWs) bands (ev): -18.8466 -18.8466 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0769 -9.0769 -5.6517 -5.6517 -5.6512 -5.6512 -5.0500 -5.0500 -4.0976 -4.0976 -3.4582 -3.4582 -3.4569 -3.4569 -3.1478 -3.1478 -3.0162 -3.0162 -3.0155 -3.0155 3.0793 3.0793 5.0940 5.0940 5.1020 5.1020 5.1125 5.1125 9.0519 9.0519 9.1978 9.1978 9.2100 9.2100 10.2830 10.2830 10.3357 10.3357 10.3458 10.3458 11.5680 11.5680 11.5748 11.5748 k = 0.5000 0.5000 0.4828 ( 6096 PWs) bands (ev): -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0789 -9.0789 -5.6519 -5.6519 -5.6518 -5.6518 -5.0485 -5.0485 -4.0990 -4.0990 -3.4567 -3.4567 -3.4564 -3.4564 -3.1462 -3.1462 -3.0140 -3.0140 -3.0139 -3.0139 3.0766 3.0766 5.0912 5.0912 5.1003 5.1003 5.1026 5.1026 9.0684 9.0684 9.2197 9.2197 9.2229 9.2229 10.2683 10.2683 10.3214 10.3214 10.3245 10.3245 11.5708 11.5708 11.5726 11.5726 k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev): -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -18.8465 -11.4618 -11.4618 -11.4618 -11.4618 -10.4278 -10.4278 -10.4236 -10.4236 -10.4236 -10.4236 -9.0795 -9.0795 -5.6520 -5.6520 -5.6520 -5.6520 -5.0481 -5.0481 -4.0995 -4.0995 -3.4562 -3.4562 -3.4562 -3.4562 -3.1457 -3.1457 -3.0133 -3.0133 -3.0133 -3.0133 3.0757 3.0757 5.0897 5.0897 5.0998 5.0998 5.0998 5.0998 9.0740 9.0740 9.2273 9.2273 9.2273 9.2273 10.2626 10.2626 10.3172 10.3172 10.3172 10.3172 11.5718 11.5718 11.5718 11.5718 Writing output data file Ba3SnO.save init_run : 0.36s CPU 0.49s WALL ( 1 calls) electrons : 155.69s CPU 157.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 155.68s CPU 157.96s 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 : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 225 calls) cegterg : 144.62s CPU 146.38s WALL ( 257 calls) Called by sum_band: Called by *egterg: h_psi : 82.73s CPU 84.11s WALL ( 4762 calls) s_psi : 5.20s CPU 5.13s WALL ( 4762 calls) g_psi : 0.22s CPU 0.26s WALL ( 4280 calls) cdiaghg : 46.04s CPU 46.63s WALL ( 4505 calls) cegterg:over : 6.99s CPU 6.89s WALL ( 4280 calls) cegterg:upda : 6.45s CPU 6.58s WALL ( 4280 calls) cegterg:last : 3.34s CPU 3.34s WALL ( 776 calls) cdiaghg:chol : 2.68s CPU 2.72s WALL ( 4505 calls) cdiaghg:inve : 1.78s CPU 1.88s WALL ( 4505 calls) cdiaghg:para : 3.30s CPU 3.23s WALL ( 9010 calls) Called by h_psi: h_psi:vloc : 72.00s CPU 73.18s WALL ( 4762 calls) h_psi:vnl : 10.48s CPU 10.66s WALL ( 4762 calls) add_vuspsi : 5.42s CPU 5.52s WALL ( 4762 calls) General routines calbec : 5.05s CPU 5.13s WALL ( 4762 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.89s CPU 68.98s WALL ( 589228 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.30s WALL ( 450 calls) Parallel routines fft_scatter : 25.36s CPU 25.88s WALL ( 589251 calls) PWSCF : 2m52.29s CPU 3m 2.92s WALL This run was terminated on: 13:57:44 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=