Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:47:11 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: ./RbHgF3.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 65 31 9 2397 790 129 Max 66 32 10 2402 807 132 Sum 2361 1129 341 86407 28671 4697 bravais-lattice index = 14 lattice parameter (alat) = 8.4471 a.u. unit-cell volume = 602.7248 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.447075 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Hg 12.00 200.59000 Hg( 1.00) F 7.00 18.99840 F( 1.00) Rb 9.00 85.46780 Rb( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 Dense grid: 86407 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 28671 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 50) NL pseudopotentials 0.18 Mb ( 108, 110) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2399) G-vector shells 0.00 Mb ( 504) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 216, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) The potential is recalculated from file : ./RbHgF3.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.1 secs Computing kpt #: 27 total cpu time spent up to now is 14.6 secs Computing kpt #: 28 total cpu time spent up to now is 15.0 secs Computing kpt #: 29 total cpu time spent up to now is 15.4 secs Computing kpt #: 30 total cpu time spent up to now is 15.8 secs Computing kpt #: 31 total cpu time spent up to now is 16.1 secs Computing kpt #: 32 total cpu time spent up to now is 16.5 secs Computing kpt #: 33 total cpu time spent up to now is 16.9 secs Computing kpt #: 34 total cpu time spent up to now is 17.3 secs Computing kpt #: 35 total cpu time spent up to now is 17.7 secs Computing kpt #: 36 total cpu time spent up to now is 18.1 secs Computing kpt #: 37 total cpu time spent up to now is 18.6 secs Computing kpt #: 38 total cpu time spent up to now is 19.0 secs Computing kpt #: 39 total cpu time spent up to now is 19.4 secs Computing kpt #: 40 total cpu time spent up to now is 19.8 secs Computing kpt #: 41 total cpu time spent up to now is 20.3 secs Computing kpt #: 42 total cpu time spent up to now is 20.8 secs Computing kpt #: 43 total cpu time spent up to now is 21.3 secs Computing kpt #: 44 total cpu time spent up to now is 21.9 secs Computing kpt #: 45 total cpu time spent up to now is 22.4 secs Computing kpt #: 46 total cpu time spent up to now is 22.9 secs Computing kpt #: 47 total cpu time spent up to now is 23.4 secs Computing kpt #: 48 total cpu time spent up to now is 23.9 secs Computing kpt #: 49 total cpu time spent up to now is 24.4 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.4 secs Computing kpt #: 52 total cpu time spent up to now is 25.9 secs Computing kpt #: 53 total cpu time spent up to now is 26.4 secs Computing kpt #: 54 total cpu time spent up to now is 26.9 secs Computing kpt #: 55 total cpu time spent up to now is 27.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.0 secs Computing kpt #: 57 total cpu time spent up to now is 28.4 secs Computing kpt #: 58 total cpu time spent up to now is 28.9 secs Computing kpt #: 59 total cpu time spent up to now is 29.4 secs Computing kpt #: 60 total cpu time spent up to now is 29.9 secs Computing kpt #: 61 total cpu time spent up to now is 30.4 secs Computing kpt #: 62 total cpu time spent up to now is 30.9 secs Computing kpt #: 63 total cpu time spent up to now is 31.4 secs Computing kpt #: 64 total cpu time spent up to now is 31.9 secs Computing kpt #: 65 total cpu time spent up to now is 32.4 secs Computing kpt #: 66 total cpu time spent up to now is 32.9 secs Computing kpt #: 67 total cpu time spent up to now is 33.3 secs Computing kpt #: 68 total cpu time spent up to now is 33.7 secs Computing kpt #: 69 total cpu time spent up to now is 34.1 secs Computing kpt #: 70 total cpu time spent up to now is 34.5 secs Computing kpt #: 71 total cpu time spent up to now is 34.9 secs Computing kpt #: 72 total cpu time spent up to now is 35.3 secs Computing kpt #: 73 total cpu time spent up to now is 35.7 secs Computing kpt #: 74 total cpu time spent up to now is 36.1 secs Computing kpt #: 75 total cpu time spent up to now is 36.4 secs Computing kpt #: 76 total cpu time spent up to now is 36.8 secs Computing kpt #: 77 total cpu time spent up to now is 37.2 secs Computing kpt #: 78 total cpu time spent up to now is 37.6 secs Computing kpt #: 79 total cpu time spent up to now is 38.0 secs Computing kpt #: 80 total cpu time spent up to now is 38.4 secs Computing kpt #: 81 total cpu time spent up to now is 38.8 secs Computing kpt #: 82 total cpu time spent up to now is 39.3 secs Computing kpt #: 83 total cpu time spent up to now is 39.8 secs Computing kpt #: 84 total cpu time spent up to now is 40.3 secs Computing kpt #: 85 total cpu time spent up to now is 40.8 secs Computing kpt #: 86 total cpu time spent up to now is 41.3 secs Computing kpt #: 87 total cpu time spent up to now is 41.8 secs Computing kpt #: 88 total cpu time spent up to now is 42.3 secs Computing kpt #: 89 total cpu time spent up to now is 42.8 secs Computing kpt #: 90 total cpu time spent up to now is 43.3 secs Computing kpt #: 91 total cpu time spent up to now is 43.8 secs Computing kpt #: 92 total cpu time spent up to now is 44.3 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.3 secs Computing kpt #: 95 total cpu time spent up to now is 45.8 secs Computing kpt #: 96 total cpu time spent up to now is 46.3 secs Computing kpt #: 97 total cpu time spent up to now is 46.8 secs Computing kpt #: 98 total cpu time spent up to now is 47.3 secs Computing kpt #: 99 total cpu time spent up to now is 47.8 secs Computing kpt #: 100 total cpu time spent up to now is 48.3 secs Computing kpt #: 101 total cpu time spent up to now is 48.8 secs Computing kpt #: 102 total cpu time spent up to now is 49.2 secs Computing kpt #: 103 total cpu time spent up to now is 49.7 secs Computing kpt #: 104 total cpu time spent up to now is 50.2 secs Computing kpt #: 105 total cpu time spent up to now is 50.7 secs Computing kpt #: 106 total cpu time spent up to now is 51.2 secs Computing kpt #: 107 total cpu time spent up to now is 51.6 secs Computing kpt #: 108 total cpu time spent up to now is 52.1 secs Computing kpt #: 109 total cpu time spent up to now is 52.5 secs Computing kpt #: 110 total cpu time spent up to now is 52.9 secs Computing kpt #: 111 total cpu time spent up to now is 53.3 secs Computing kpt #: 112 total cpu time spent up to now is 53.8 secs Computing kpt #: 113 total cpu time spent up to now is 54.2 secs Computing kpt #: 114 total cpu time spent up to now is 54.6 secs Computing kpt #: 115 total cpu time spent up to now is 55.0 secs Computing kpt #: 116 total cpu time spent up to now is 55.4 secs Computing kpt #: 117 total cpu time spent up to now is 55.8 secs Computing kpt #: 118 total cpu time spent up to now is 56.2 secs Computing kpt #: 119 total cpu time spent up to now is 56.6 secs Computing kpt #: 120 total cpu time spent up to now is 57.0 secs Computing kpt #: 121 total cpu time spent up to now is 57.4 secs Computing kpt #: 122 total cpu time spent up to now is 57.9 secs Computing kpt #: 123 total cpu time spent up to now is 58.3 secs Computing kpt #: 124 total cpu time spent up to now is 58.7 secs Computing kpt #: 125 total cpu time spent up to now is 59.1 secs Computing kpt #: 126 total cpu time spent up to now is 59.5 secs Computing kpt #: 127 total cpu time spent up to now is 59.9 secs Computing kpt #: 128 total cpu time spent up to now is 60.3 secs Computing kpt #: 129 total cpu time spent up to now is 60.8 secs Computing kpt #: 130 total cpu time spent up to now is 61.2 secs Computing kpt #: 131 total cpu time spent up to now is 61.6 secs Computing kpt #: 132 total cpu time spent up to now is 62.0 secs Computing kpt #: 133 total cpu time spent up to now is 62.4 secs Computing kpt #: 134 total cpu time spent up to now is 62.8 secs Computing kpt #: 135 total cpu time spent up to now is 63.2 secs Computing kpt #: 136 total cpu time spent up to now is 63.6 secs Computing kpt #: 137 total cpu time spent up to now is 64.1 secs Computing kpt #: 138 total cpu time spent up to now is 64.5 secs Computing kpt #: 139 total cpu time spent up to now is 64.9 secs Computing kpt #: 140 total cpu time spent up to now is 65.3 secs Computing kpt #: 141 total cpu time spent up to now is 65.7 secs Computing kpt #: 142 total cpu time spent up to now is 66.1 secs Computing kpt #: 143 total cpu time spent up to now is 66.5 secs Computing kpt #: 144 total cpu time spent up to now is 66.9 secs Computing kpt #: 145 total cpu time spent up to now is 67.3 secs Computing kpt #: 146 total cpu time spent up to now is 67.7 secs Computing kpt #: 147 total cpu time spent up to now is 68.1 secs Computing kpt #: 148 total cpu time spent up to now is 68.6 secs Computing kpt #: 149 total cpu time spent up to now is 69.0 secs Computing kpt #: 150 total cpu time spent up to now is 69.4 secs Computing kpt #: 151 total cpu time spent up to now is 69.8 secs Computing kpt #: 152 total cpu time spent up to now is 70.3 secs Computing kpt #: 153 total cpu time spent up to now is 70.7 secs Computing kpt #: 154 total cpu time spent up to now is 71.1 secs Computing kpt #: 155 total cpu time spent up to now is 71.5 secs Computing kpt #: 156 total cpu time spent up to now is 72.0 secs Computing kpt #: 157 total cpu time spent up to now is 72.4 secs Computing kpt #: 158 total cpu time spent up to now is 72.8 secs Computing kpt #: 159 total cpu time spent up to now is 73.2 secs Computing kpt #: 160 total cpu time spent up to now is 73.6 secs Computing kpt #: 161 total cpu time spent up to now is 74.0 secs Computing kpt #: 162 total cpu time spent up to now is 74.4 secs Computing kpt #: 163 total cpu time spent up to now is 74.8 secs Computing kpt #: 164 total cpu time spent up to now is 75.2 secs Computing kpt #: 165 total cpu time spent up to now is 75.6 secs Computing kpt #: 166 total cpu time spent up to now is 76.1 secs Computing kpt #: 167 total cpu time spent up to now is 76.5 secs Computing kpt #: 168 total cpu time spent up to now is 76.9 secs Computing kpt #: 169 total cpu time spent up to now is 77.3 secs Computing kpt #: 170 total cpu time spent up to now is 77.7 secs Computing kpt #: 171 total cpu time spent up to now is 78.1 secs Computing kpt #: 172 total cpu time spent up to now is 78.5 secs Computing kpt #: 173 total cpu time spent up to now is 78.8 secs Computing kpt #: 174 total cpu time spent up to now is 79.2 secs Computing kpt #: 175 total cpu time spent up to now is 79.6 secs Computing kpt #: 176 total cpu time spent up to now is 79.9 secs Computing kpt #: 177 total cpu time spent up to now is 80.3 secs Computing kpt #: 178 total cpu time spent up to now is 80.7 secs Computing kpt #: 179 total cpu time spent up to now is 81.0 secs Computing kpt #: 180 total cpu time spent up to now is 81.4 secs Computing kpt #: 181 total cpu time spent up to now is 81.7 secs Computing kpt #: 182 total cpu time spent up to now is 82.1 secs Computing kpt #: 183 total cpu time spent up to now is 82.4 secs Computing kpt #: 184 total cpu time spent up to now is 82.8 secs Computing kpt #: 185 total cpu time spent up to now is 83.2 secs Computing kpt #: 186 total cpu time spent up to now is 83.5 secs Computing kpt #: 187 total cpu time spent up to now is 83.9 secs Computing kpt #: 188 total cpu time spent up to now is 84.3 secs Computing kpt #: 189 total cpu time spent up to now is 84.6 secs Computing kpt #: 190 total cpu time spent up to now is 85.0 secs Computing kpt #: 191 total cpu time spent up to now is 85.3 secs Computing kpt #: 192 total cpu time spent up to now is 85.7 secs Computing kpt #: 193 total cpu time spent up to now is 86.0 secs Computing kpt #: 194 total cpu time spent up to now is 86.4 secs Computing kpt #: 195 total cpu time spent up to now is 86.7 secs Computing kpt #: 196 total cpu time spent up to now is 87.1 secs Computing kpt #: 197 total cpu time spent up to now is 87.4 secs Computing kpt #: 198 total cpu time spent up to now is 87.8 secs Computing kpt #: 199 total cpu time spent up to now is 88.2 secs Computing kpt #: 200 total cpu time spent up to now is 88.6 secs Computing kpt #: 201 total cpu time spent up to now is 89.0 secs Computing kpt #: 202 total cpu time spent up to now is 89.3 secs Computing kpt #: 203 total cpu time spent up to now is 89.7 secs Computing kpt #: 204 total cpu time spent up to now is 90.1 secs Computing kpt #: 205 total cpu time spent up to now is 90.5 secs Computing kpt #: 206 total cpu time spent up to now is 90.9 secs Computing kpt #: 207 total cpu time spent up to now is 91.3 secs Computing kpt #: 208 total cpu time spent up to now is 91.8 secs Computing kpt #: 209 total cpu time spent up to now is 92.2 secs Computing kpt #: 210 total cpu time spent up to now is 92.6 secs Computing kpt #: 211 total cpu time spent up to now is 93.1 secs Computing kpt #: 212 total cpu time spent up to now is 93.7 secs Computing kpt #: 213 total cpu time spent up to now is 94.8 secs Computing kpt #: 214 total cpu time spent up to now is 95.5 secs Computing kpt #: 215 total cpu time spent up to now is 96.1 secs Computing kpt #: 216 total cpu time spent up to now is 96.7 secs Computing kpt #: 217 total cpu time spent up to now is 97.3 secs Computing kpt #: 218 total cpu time spent up to now is 97.8 secs Computing kpt #: 219 total cpu time spent up to now is 98.3 secs Computing kpt #: 220 total cpu time spent up to now is 98.8 secs Computing kpt #: 221 total cpu time spent up to now is 99.3 secs Computing kpt #: 222 total cpu time spent up to now is 99.8 secs Computing kpt #: 223 total cpu time spent up to now is 100.3 secs Computing kpt #: 224 total cpu time spent up to now is 100.8 secs Computing kpt #: 225 total cpu time spent up to now is 101.3 secs Computing kpt #: 226 total cpu time spent up to now is 101.8 secs Computing kpt #: 227 total cpu time spent up to now is 102.2 secs Computing kpt #: 228 total cpu time spent up to now is 102.7 secs Computing kpt #: 229 total cpu time spent up to now is 103.2 secs Computing kpt #: 230 total cpu time spent up to now is 103.7 secs Computing kpt #: 231 total cpu time spent up to now is 104.2 secs Computing kpt #: 232 total cpu time spent up to now is 104.6 secs Computing kpt #: 233 total cpu time spent up to now is 105.1 secs Computing kpt #: 234 total cpu time spent up to now is 105.5 secs Computing kpt #: 235 total cpu time spent up to now is 105.9 secs Computing kpt #: 236 total cpu time spent up to now is 106.3 secs Computing kpt #: 237 total cpu time spent up to now is 106.7 secs Computing kpt #: 238 total cpu time spent up to now is 107.1 secs Computing kpt #: 239 total cpu time spent up to now is 107.5 secs Computing kpt #: 240 total cpu time spent up to now is 107.9 secs Computing kpt #: 241 total cpu time spent up to now is 108.3 secs Computing kpt #: 242 total cpu time spent up to now is 108.6 secs Computing kpt #: 243 total cpu time spent up to now is 109.0 secs Computing kpt #: 244 total cpu time spent up to now is 109.4 secs Computing kpt #: 245 total cpu time spent up to now is 109.8 secs Computing kpt #: 246 total cpu time spent up to now is 110.3 secs Computing kpt #: 247 total cpu time spent up to now is 110.8 secs Computing kpt #: 248 total cpu time spent up to now is 111.3 secs Computing kpt #: 249 total cpu time spent up to now is 111.8 secs Computing kpt #: 250 total cpu time spent up to now is 112.4 secs Computing kpt #: 251 total cpu time spent up to now is 112.9 secs Computing kpt #: 252 total cpu time spent up to now is 113.5 secs Computing kpt #: 253 total cpu time spent up to now is 114.0 secs Computing kpt #: 254 total cpu time spent up to now is 114.4 secs Computing kpt #: 255 total cpu time spent up to now is 114.9 secs Computing kpt #: 256 total cpu time spent up to now is 115.3 secs Computing kpt #: 257 total cpu time spent up to now is 115.8 secs Computing kpt #: 258 total cpu time spent up to now is 116.2 secs Computing kpt #: 259 total cpu time spent up to now is 116.6 secs Computing kpt #: 260 total cpu time spent up to now is 116.9 secs Computing kpt #: 261 total cpu time spent up to now is 117.3 secs Computing kpt #: 262 total cpu time spent up to now is 117.7 secs Computing kpt #: 263 total cpu time spent up to now is 118.1 secs Computing kpt #: 264 total cpu time spent up to now is 118.4 secs Computing kpt #: 265 total cpu time spent up to now is 118.8 secs Computing kpt #: 266 total cpu time spent up to now is 119.2 secs Computing kpt #: 267 total cpu time spent up to now is 119.5 secs Computing kpt #: 268 total cpu time spent up to now is 119.9 secs Computing kpt #: 269 total cpu time spent up to now is 120.2 secs Computing kpt #: 270 total cpu time spent up to now is 120.6 secs Computing kpt #: 271 total cpu time spent up to now is 120.9 secs Computing kpt #: 272 total cpu time spent up to now is 121.3 secs Computing kpt #: 273 total cpu time spent up to now is 121.6 secs Computing kpt #: 274 total cpu time spent up to now is 122.0 secs Computing kpt #: 275 total cpu time spent up to now is 122.4 secs ethr = 2.38E-08, avg # of iterations = 19.6 total cpu time spent up to now is 122.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -20.0660 -20.0660 -16.9827 -16.9827 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8710 -3.8710 -3.8710 -3.8710 -0.5281 -0.5281 -0.5281 -0.5281 0.4051 0.4051 0.7071 0.7071 0.7071 0.7071 1.1057 1.1057 1.5344 1.5344 1.5344 1.5344 2.1198 2.1198 2.1198 2.1198 2.1486 2.1486 2.1727 2.1727 2.2528 2.2528 2.2528 2.2528 5.5549 5.5549 12.0319 12.0319 12.0321 12.0321 12.0321 12.0321 k = 0.0000 0.0139-0.0000 ( 3695 PWs) bands (ev): -20.0659 -20.0659 -16.9826 -16.9826 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8711 -3.8711 -3.8710 -3.8710 -0.5311 -0.5311 -0.5282 -0.5282 0.4046 0.4046 0.7008 0.7008 0.7070 0.7070 1.1047 1.1047 1.5341 1.5341 1.5395 1.5395 2.1200 2.1200 2.1205 2.1205 2.1493 2.1493 2.1744 2.1744 2.2531 2.2531 2.2535 2.2535 5.5590 5.5590 12.0312 12.0312 12.0333 12.0333 12.0351 12.0351 k = 0.0000 0.0278-0.0000 ( 3675 PWs) bands (ev): -20.0658 -20.0658 -16.9821 -16.9821 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8712 -3.8712 -3.8707 -3.8707 -0.5401 -0.5401 -0.5286 -0.5286 0.4029 0.4029 0.6829 0.6829 0.7068 0.7068 1.1016 1.1016 1.5333 1.5333 1.5541 1.5541 2.1203 2.1203 2.1223 2.1223 2.1513 2.1513 2.1796 2.1796 2.2541 2.2541 2.2555 2.2555 5.5715 5.5715 12.0287 12.0287 12.0372 12.0372 12.0445 12.0445 k = 0.0000 0.0417-0.0000 ( 3667 PWs) bands (ev): -20.0657 -20.0657 -16.9815 -16.9815 -16.7302 -16.7302 -16.7302 -16.7302 -4.7370 -4.7370 -3.8714 -3.8714 -3.8703 -3.8703 -0.5552 -0.5552 -0.5293 -0.5293 0.3993 0.3993 0.6562 0.6562 0.7063 0.7063 1.0964 1.0964 1.5320 1.5320 1.5758 1.5758 2.1204 2.1204 2.1246 2.1246 2.1546 2.1546 2.1888 2.1888 2.2562 2.2562 2.2592 2.2592 5.5923 5.5923 12.0247 12.0247 12.0436 12.0436 12.0602 12.0602 k = 0.0000 0.0556-0.0000 ( 3659 PWs) bands (ev): -20.0654 -20.0654 -16.9806 -16.9806 -16.7302 -16.7302 -16.7302 -16.7302 -4.7369 -4.7369 -3.8716 -3.8716 -3.8698 -3.8698 -0.5762 -0.5762 -0.5303 -0.5303 0.3927 0.3927 0.6246 0.6246 0.7057 0.7057 1.0894 1.0894 1.5303 1.5303 1.6017 1.6017 2.1200 2.1200 2.1265 2.1265 2.1589 2.1589 2.2013 2.2013 2.2610 2.2610 2.2649 2.2649 5.6214 5.6214 12.0189 12.0189 12.0525 12.0525 12.0821 12.0821 k = 0.0000 0.0694-0.0000 ( 3655 PWs) bands (ev): -20.0651 -20.0651 -16.9794 -16.9794 -16.7302 -16.7302 -16.7301 -16.7301 -4.7368 -4.7368 -3.8720 -3.8720 -3.8691 -3.8691 -0.6030 -0.6030 -0.5315 -0.5315 0.3813 0.3813 0.5927 0.5927 0.7049 0.7049 1.0806 1.0806 1.5283 1.5283 1.6288 1.6288 2.1188 2.1188 2.1279 2.1279 2.1636 2.1636 2.2145 2.2145 2.2717 2.2717 2.2732 2.2732 5.6585 5.6585 12.0113 12.0113 12.0639 12.0639 12.1102 12.1102 k = 0.0000 0.0833-0.0000 ( 3651 PWs) bands (ev): -20.0648 -20.0648 -16.9780 -16.9780 -16.7301 -16.7301 -16.7301 -16.7301 -4.7367 -4.7367 -3.8724 -3.8724 -3.8683 -3.8683 -0.6355 -0.6355 -0.5330 -0.5330 0.3628 0.3628 0.5650 0.5650 0.7039 0.7039 1.0702 1.0702 1.5261 1.5261 1.6549 1.6549 2.1170 2.1170 2.1287 2.1287 2.1681 2.1681 2.2244 2.2244 2.2845 2.2845 2.2919 2.2919 5.7035 5.7035 12.0019 12.0019 12.0776 12.0776 12.1445 12.1445 k = 0.0000 0.0972-0.0000 ( 3631 PWs) bands (ev): -20.0643 -20.0643 -16.9764 -16.9764 -16.7301 -16.7301 -16.7300 -16.7300 -4.7366 -4.7366 -3.8729 -3.8729 -3.8674 -3.8674 -0.6734 -0.6734 -0.5347 -0.5347 0.3362 0.3362 0.5445 0.5445 0.7028 0.7028 1.0584 1.0584 1.5238 1.5238 1.6785 1.6785 2.1146 2.1146 2.1291 2.1291 2.1717 2.1717 2.2303 2.2303 2.2990 2.2990 2.3220 2.3220 5.7563 5.7563 11.9904 11.9904 12.0937 12.0937 12.1849 12.1849 k = 0.0000 0.1111-0.0000 ( 3639 PWs) bands (ev): -20.0639 -20.0639 -16.9746 -16.9746 -16.7300 -16.7300 -16.7300 -16.7300 -4.7364 -4.7364 -3.8734 -3.8734 -3.8663 -3.8663 -0.7165 -0.7165 -0.5367 -0.5367 0.3024 0.3024 0.5315 0.5315 0.7015 0.7015 1.0454 1.0454 1.5216 1.5216 1.6985 1.6985 2.1117 2.1117 2.1292 2.1292 2.1741 2.1741 2.2339 2.2339 2.3166 2.3166 2.3594 2.3594 5.8166 5.8166 11.9768 11.9768 12.1120 12.1120 12.2314 12.2314 k = 0.0000 0.1250-0.0000 ( 3631 PWs) bands (ev): -20.0634 -20.0634 -16.9726 -16.9726 -16.7299 -16.7299 -16.7299 -16.7299 -4.7362 -4.7362 -3.8740 -3.8740 -3.8651 -3.8651 -0.7643 -0.7643 -0.5390 -0.5390 0.2638 0.2638 0.5246 0.5246 0.7000 0.7000 1.0314 1.0314 1.5193 1.5193 1.7146 1.7146 2.1083 2.1083 2.1292 2.1292 2.1754 2.1754 2.2369 2.2369 2.3370 2.3370 2.4018 2.4018 5.8842 5.8842 11.9609 11.9609 12.1324 12.1324 12.2839 12.2839 k = 0.0000 0.1389-0.0000 ( 3627 PWs) bands (ev): -20.0628 -20.0628 -16.9704 -16.9704 -16.7298 -16.7298 -16.7297 -16.7297 -4.7361 -4.7361 -3.8746 -3.8746 -3.8639 -3.8639 -0.8163 -0.8163 -0.5414 -0.5414 0.2231 0.2231 0.5217 0.5217 0.6984 0.6984 1.0166 1.0166 1.5172 1.5172 1.7268 1.7268 2.1045 2.1045 2.1290 2.1290 2.1757 2.1757 2.2401 2.2401 2.3597 2.3597 2.4474 2.4474 5.9586 5.9586 11.9427 11.9427 12.1547 12.1547 12.3423 12.3423 k = 0.0000 0.1528-0.0000 ( 3627 PWs) bands (ev): -20.0622 -20.0622 -16.9681 -16.9681 -16.7297 -16.7297 -16.7296 -16.7296 -4.7359 -4.7359 -3.8753 -3.8753 -3.8625 -3.8625 -0.8721 -0.8721 -0.5440 -0.5440 0.1822 0.1822 0.5214 0.5214 0.6967 0.6967 1.0012 1.0012 1.5152 1.5152 1.7353 1.7353 2.1003 2.1003 2.1287 2.1287 2.1751 2.1751 2.2438 2.2438 2.3843 2.3843 2.4949 2.4949 6.0396 6.0396 11.9218 11.9218 12.1790 12.1790 12.4065 12.4065 k = 0.0000 0.1667-0.0000 ( 3635 PWs) bands (ev): -20.0615 -20.0615 -16.9657 -16.9657 -16.7297 -16.7297 -16.7294 -16.7294 -4.7357 -4.7357 -3.8761 -3.8761 -3.8610 -3.8610 -0.9309 -0.9309 -0.5468 -0.5468 0.1421 0.1421 0.5227 0.5227 0.6949 0.6949 0.9854 0.9854 1.5134 1.5134 1.7405 1.7405 2.0958 2.0958 2.1282 2.1282 2.1739 2.1739 2.2484 2.2484 2.4103 2.4103 2.5432 2.5432 6.1268 6.1268 11.8982 11.8982 12.2049 12.2049 12.4765 12.4765 k = 0.0000 0.1806-0.0000 ( 3619 PWs) bands (ev): -20.0608 -20.0608 -16.9631 -16.9631 -16.7295 -16.7295 -16.7292 -16.7292 -4.7355 -4.7355 -3.8768 -3.8768 -3.8594 -3.8594 -0.9921 -0.9921 -0.5498 -0.5498 0.1036 0.1036 0.5250 0.5250 0.6930 0.6930 0.9694 0.9694 1.5117 1.5117 1.7428 1.7428 2.0911 2.0911 2.1275 2.1275 2.1721 2.1721 2.2541 2.2541 2.4374 2.4374 2.5916 2.5916 6.2196 6.2196 11.8719 11.8719 12.2323 12.2323 12.5521 12.5521 k = 0.0000 0.1944-0.0000 ( 3611 PWs) bands (ev): -20.0601 -20.0601 -16.9605 -16.9605 -16.7294 -16.7294 -16.7289 -16.7289 -4.7353 -4.7353 -3.8776 -3.8776 -3.8578 -3.8578 -1.0550 -1.0550 -0.5529 -0.5529 0.0670 0.0670 0.5279 0.5279 0.6909 0.6909 0.9533 0.9533 1.5102 1.5102 1.7425 1.7425 2.0862 2.0862 2.1266 2.1266 2.1699 2.1699 2.2609 2.2609 2.4652 2.4652 2.6392 2.6392 6.3177 6.3177 11.8426 11.8426 12.2611 12.2611 12.6332 12.6332 k = 0.0000 0.2083-0.0000 ( 3619 PWs) bands (ev): -20.0594 -20.0594 -16.9578 -16.9578 -16.7293 -16.7293 -16.7286 -16.7286 -4.7351 -4.7351 -3.8784 -3.8784 -3.8561 -3.8561 -1.1191 -1.1191 -0.5562 -0.5562 0.0324 0.0324 0.5310 0.5310 0.6888 0.6888 0.9373 0.9373 1.5089 1.5089 1.7401 1.7401 2.0811 2.0811 2.1253 2.1253 2.1673 2.1673 2.2687 2.2687 2.4935 2.4935 2.6856 2.6856 6.4204 6.4204 11.8102 11.8102 12.2911 12.2911 12.7197 12.7197 k = 0.0000 0.2222-0.0000 ( 3611 PWs) bands (ev): -20.0586 -20.0586 -16.9551 -16.9551 -16.7292 -16.7292 -16.7282 -16.7282 -4.7349 -4.7349 -3.8792 -3.8792 -3.8544 -3.8544 -1.1835 -1.1835 -0.5595 -0.5595 -0.0001 -0.0001 0.5343 0.5343 0.6866 0.6866 0.9215 0.9215 1.5077 1.5077 1.7358 1.7358 2.0758 2.0758 2.1238 2.1238 2.1646 2.1646 2.2776 2.2776 2.5218 2.5218 2.7305 2.7305 6.5272 6.5272 11.7749 11.7749 12.3220 12.3220 12.8115 12.8115 k = 0.0000 0.2361-0.0000 ( 3611 PWs) bands (ev): -20.0578 -20.0578 -16.9524 -16.9524 -16.7291 -16.7291 -16.7278 -16.7278 -4.7347 -4.7347 -3.8800 -3.8800 -3.8526 -3.8526 -1.2478 -1.2478 -0.5629 -0.5629 -0.0306 -0.0306 0.5375 0.5375 0.6844 0.6844 0.9060 0.9060 1.5066 1.5066 1.7301 1.7301 2.0705 2.0705 2.1220 2.1220 2.1616 2.1616 2.2874 2.2874 2.5501 2.5501 2.7735 2.7735 6.6375 6.6375 11.7364 11.7364 12.3536 12.3536 12.9084 12.9084 k = 0.0000 0.2500-0.0000 ( 3603 PWs) bands (ev): -20.0570 -20.0570 -16.9497 -16.9497 -16.7290 -16.7290 -16.7273 -16.7273 -4.7345 -4.7345 -3.8808 -3.8808 -3.8509 -3.8509 -1.3114 -1.3114 -0.5664 -0.5664 -0.0591 -0.0591 0.5406 0.5406 0.6821 0.6821 0.8910 0.8910 1.5057 1.5057 1.7232 1.7232 2.0652 2.0652 2.1199 2.1199 2.1585 2.1585 2.2979 2.2979 2.5781 2.5781 2.8144 2.8144 6.7508 6.7508 11.6948 11.6948 12.3858 12.3858 13.0103 13.0103 k = 0.0000 0.2639-0.0000 ( 3603 PWs) bands (ev): -20.0563 -20.0563 -16.9470 -16.9470 -16.7289 -16.7289 -16.7268 -16.7268 -4.7343 -4.7343 -3.8816 -3.8816 -3.8491 -3.8491 -1.3738 -1.3738 -0.5698 -0.5698 -0.0857 -0.0857 0.5436 0.5436 0.6799 0.6799 0.8765 0.8765 1.5048 1.5048 1.7154 1.7154 2.0599 2.0599 2.1177 2.1177 2.1554 2.1554 2.3090 2.3090 2.6056 2.6056 2.8532 2.8532 6.8664 6.8664 11.6503 11.6503 12.4183 12.4183 13.1169 13.1169 k = 0.0000 0.2778-0.0000 ( 3619 PWs) bands (ev): -20.0555 -20.0555 -16.9444 -16.9444 -16.7288 -16.7288 -16.7262 -16.7262 -4.7341 -4.7341 -3.8824 -3.8824 -3.8474 -3.8474 -1.4346 -1.4346 -0.5733 -0.5733 -0.1106 -0.1106 0.5464 0.5464 0.6776 0.6776 0.8625 0.8625 1.5041 1.5041 1.7070 1.7070 2.0545 2.0545 2.1153 2.1153 2.1522 2.1522 2.3205 2.3205 2.6324 2.6324 2.8897 2.8897 6.9835 6.9835 11.6028 11.6028 12.4508 12.4508 13.2280 13.2280 k = 0.0000 0.2917-0.0000 ( 3615 PWs) bands (ev): -20.0547 -20.0547 -16.9419 -16.9419 -16.7287 -16.7287 -16.7256 -16.7256 -4.7339 -4.7339 -3.8832 -3.8832 -3.8456 -3.8456 -1.4934 -1.4934 -0.5767 -0.5767 -0.1337 -0.1337 0.5490 0.5490 0.6753 0.6753 0.8493 0.8493 1.5035 1.5035 1.6981 1.6981 2.0493 2.0493 2.1128 2.1128 2.1490 2.1490 2.3322 2.3322 2.6584 2.6584 2.9239 2.9239 7.1016 7.1016 11.5527 11.5527 12.4832 12.4832 13.3434 13.3434 k = 0.0000 0.3056-0.0000 ( 3603 PWs) bands (ev): -20.0540 -20.0540 -16.9395 -16.9395 -16.7286 -16.7286 -16.7250 -16.7250 -4.7337 -4.7337 -3.8839 -3.8839 -3.8439 -3.8439 -1.5497 -1.5497 -0.5801 -0.5801 -0.1551 -0.1551 0.5514 0.5514 0.6731 0.6731 0.8367 0.8367 1.5030 1.5030 1.6891 1.6891 2.0443 2.0443 2.1103 2.1103 2.1458 2.1458 2.3439 2.3439 2.6834 2.6834 2.9558 2.9558 7.2198 7.2198 11.5002 11.5002 12.5151 12.5151 13.4629 13.4629 k = 0.0000 0.3194-0.0000 ( 3595 PWs) bands (ev): -20.0532 -20.0532 -16.9372 -16.9372 -16.7285 -16.7285 -16.7243 -16.7243 -4.7336 -4.7336 -3.8846 -3.8846 -3.8423 -3.8423 -1.6034 -1.6034 -0.5834 -0.5834 -0.1749 -0.1749 0.5536 0.5536 0.6710 0.6710 0.8249 0.8249 1.5026 1.5026 1.6800 1.6800 2.0394 2.0394 2.1078 2.1078 2.1428 2.1428 2.3555 2.3555 2.7073 2.7073 2.9853 2.9853 7.3375 7.3375 11.4455 11.4455 12.5462 12.5462 13.5861 13.5861 k = 0.0000 0.3333-0.0000 ( 3595 PWs) bands (ev): -20.0526 -20.0526 -16.9351 -16.9351 -16.7284 -16.7284 -16.7237 -16.7237 -4.7334 -4.7334 -3.8853 -3.8853 -3.8407 -3.8407 -1.6540 -1.6540 -0.5866 -0.5866 -0.1931 -0.1931 0.5556 0.5556 0.6689 0.6689 0.8138 0.8138 1.5022 1.5022 1.6710 1.6710 2.0346 2.0346 2.1053 2.1053 2.1398 2.1398 2.3667 2.3667 2.7300 2.7300 3.0126 3.0126 7.4536 7.4536 11.3891 11.3891 12.5764 12.5764 13.7126 13.7126 k = 0.0000 0.3472-0.0000 ( 3595 PWs) bands (ev): -20.0519 -20.0519 -16.9331 -16.9331 -16.7283 -16.7283 -16.7230 -16.7230 -4.7333 -4.7333 -3.8860 -3.8860 -3.8392 -3.8392 -1.7015 -1.7015 -0.5896 -0.5896 -0.2097 -0.2097 0.5573 0.5573 0.6669 0.6669 0.8036 0.8036 1.5018 1.5018 1.6623 1.6623 2.0302 2.0302 2.1029 2.1029 2.1370 2.1370 2.3776 2.3776 2.7512 2.7512 3.0375 3.0375 7.5675 7.5675 11.3316 11.3316 12.6054 12.6054 13.7992 13.7992 k = 0.0000 0.3611-0.0000 ( 3587 PWs) bands (ev): -20.0513 -20.0513 -16.9312 -16.9312 -16.7282 -16.7282 -16.7223 -16.7223 -4.7332 -4.7332 -3.8865 -3.8865 -3.8378 -3.8378 -1.7454 -1.7454 -0.5924 -0.5924 -0.2249 -0.2249 0.5588 0.5588 0.6650 0.6650 0.7942 0.7942 1.5016 1.5016 1.6540 1.6540 2.0260 2.0260 2.1007 2.1007 2.1343 2.1343 2.3879 2.3879 2.7710 2.7710 3.0601 3.0601 7.6781 7.6781 11.2735 11.2735 12.6329 12.6329 13.7790 13.7790 k = 0.0000 0.3750-0.0000 ( 3583 PWs) bands (ev): -20.0507 -20.0507 -16.9295 -16.9295 -16.7282 -16.7282 -16.7216 -16.7216 -4.7331 -4.7331 -3.8871 -3.8871 -3.8365 -3.8365 -1.7857 -1.7857 -0.5951 -0.5951 -0.2386 -0.2386 0.5602 0.5602 0.6632 0.6632 0.7857 0.7857 1.5013 1.5013 1.6461 1.6461 2.0220 2.0220 2.0985 2.0985 2.1319 2.1319 2.3976 2.3976 2.7892 2.7892 3.0806 3.0806 7.7844 7.7844 11.2156 11.2156 12.6586 12.6586 13.7603 13.7603 k = 0.0000 0.3889-0.0000 ( 3579 PWs) bands (ev): -20.0502 -20.0502 -16.9279 -16.9279 -16.7281 -16.7281 -16.7210 -16.7210 -4.7330 -4.7330 -3.8876 -3.8876 -3.8353 -3.8353 -1.8221 -1.8221 -0.5976 -0.5976 -0.2507 -0.2507 0.5613 0.5613 0.6616 0.6616 0.7780 0.7780 1.5012 1.5012 1.6389 1.6389 2.0185 2.0185 2.0965 2.0965 2.1296 2.1296 2.4065 2.4065 2.8058 2.8058 3.0987 3.0987 7.8851 7.8851 11.1588 11.1588 12.6824 12.6824 13.7434 13.7434 k = 0.0000 0.4028-0.0000 ( 3583 PWs) bands (ev): -20.0497 -20.0497 -16.9266 -16.9266 -16.7280 -16.7280 -16.7204 -16.7204 -4.7329 -4.7329 -3.8880 -3.8880 -3.8342 -3.8342 -1.8547 -1.8547 -0.5998 -0.5998 -0.2615 -0.2615 0.5623 0.5623 0.6601 0.6601 0.7713 0.7713 1.5010 1.5010 1.6324 1.6324 2.0153 2.0153 2.0947 2.0947 2.1275 2.1275 2.4146 2.4146 2.8206 2.8206 3.1147 3.1147 7.9792 7.9792 11.1041 11.1041 12.7039 12.7039 13.7285 13.7285 k = 0.0000 0.4167-0.0000 ( 3583 PWs) bands (ev): -20.0493 -20.0493 -16.9254 -16.9254 -16.7280 -16.7280 -16.7198 -16.7198 -4.7328 -4.7328 -3.8884 -3.8884 -3.8332 -3.8332 -1.8831 -1.8831 -0.6017 -0.6017 -0.2708 -0.2708 0.5632 0.5632 0.6588 0.6588 0.7654 0.7654 1.5009 1.5009 1.6265 1.6265 2.0124 2.0124 2.0931 2.0931 2.1257 2.1257 2.4217 2.4217 2.8335 2.8335 3.1285 3.1285 8.0651 8.0651 11.0527 11.0527 12.7231 12.7231 13.7155 13.7155 k = 0.0000 0.4306-0.0000 ( 3575 PWs) bands (ev): -20.0489 -20.0489 -16.9244 -16.9244 -16.7279 -16.7279 -16.7193 -16.7193 -4.7327 -4.7327 -3.8888 -3.8888 -3.8324 -3.8324 -1.9073 -1.9073 -0.6034 -0.6034 -0.2786 -0.2786 0.5639 0.5639 0.6577 0.6577 0.7604 0.7604 1.5008 1.5008 1.6215 1.6215 2.0100 2.0100 2.0917 2.0917 2.1242 2.1242 2.4279 2.4279 2.8446 2.8446 3.1402 3.1402 8.1415 8.1415 11.0058 11.0058 12.7397 12.7397 13.7045 13.7045 k = 0.0000 0.4444-0.0000 ( 3579 PWs) bands (ev): -20.0486 -20.0486 -16.9235 -16.9235 -16.7279 -16.7279 -16.7189 -16.7189 -4.7327 -4.7327 -3.8890 -3.8890 -3.8317 -3.8317 -1.9272 -1.9272 -0.6048 -0.6048 -0.2850 -0.2850 0.5644 0.5644 0.6567 0.6567 0.7563 0.7563 1.5007 1.5007 1.6173 1.6173 2.0080 2.0080 2.0906 2.0906 2.1229 2.1229 2.4330 2.4330 2.8538 2.8538 3.1497 3.1497 8.2068 8.2068 10.9648 10.9648 12.7535 12.7535 13.6954 13.6954 k = 0.0000 0.4583-0.0000 ( 3575 PWs) bands (ev): -20.0484 -20.0484 -16.9229 -16.9229 -16.7279 -16.7279 -16.7186 -16.7186 -4.7326 -4.7326 -3.8893 -3.8893 -3.8312 -3.8312 -1.9428 -1.9428 -0.6059 -0.6059 -0.2900 -0.2900 0.5648 0.5648 0.6560 0.6560 0.7532 0.7532 1.5006 1.5006 1.6140 1.6140 2.0064 2.0064 2.0897 2.0897 2.1219 2.1219 2.4370 2.4370 2.8609 2.8609 3.1570 3.1570 8.2595 8.2595 10.9311 10.9311 12.7643 12.7643 13.6884 13.6884 k = 0.0000 0.4722-0.0000 ( 3575 PWs) bands (ev): -20.0482 -20.0482 -16.9224 -16.9224 -16.7278 -16.7278 -16.7184 -16.7184 -4.7326 -4.7326 -3.8894 -3.8894 -3.8308 -3.8308 -1.9540 -1.9540 -0.6067 -0.6067 -0.2936 -0.2936 0.5651 0.5651 0.6554 0.6554 0.7509 0.7509 1.5006 1.5006 1.6116 1.6116 2.0052 2.0052 2.0890 2.0890 2.1211 2.1211 2.4399 2.4399 2.8661 2.8661 3.1623 3.1623 8.2983 8.2983 10.9060 10.9060 12.7722 12.7722 13.6833 13.6833 k = 0.0000 0.4861-0.0000 ( 3575 PWs) bands (ev): -20.0481 -20.0481 -16.9222 -16.9222 -16.7278 -16.7278 -16.7182 -16.7182 -4.7326 -4.7326 -3.8895 -3.8895 -3.8306 -3.8306 -1.9607 -1.9607 -0.6072 -0.6072 -0.2957 -0.2957 0.5653 0.5653 0.6551 0.6551 0.7495 0.7495 1.5006 1.5006 1.6102 1.6102 2.0046 2.0046 2.0886 2.0886 2.1207 2.1207 2.4416 2.4416 2.8691 2.8691 3.1655 3.1655 8.3221 8.3221 10.8904 10.8904 12.7769 12.7769 13.6803 13.6803 k = 0.0000 0.5000-0.0000 ( 3588 PWs) bands (ev): -20.0481 -20.0481 -16.9221 -16.9221 -16.7278 -16.7278 -16.7182 -16.7182 -4.7326 -4.7326 -3.8895 -3.8895 -3.8305 -3.8305 -1.9630 -1.9630 -0.6074 -0.6074 -0.2965 -0.2965 0.5653 0.5653 0.6550 0.6550 0.7491 0.7491 1.5006 1.5006 1.6097 1.6097 2.0043 2.0043 2.0885 2.0885 2.1205 2.1205 2.4422 2.4422 2.8702 2.8702 3.1665 3.1665 8.3301 8.3301 10.8851 10.8851 12.7785 12.7785 13.6793 13.6793 k = 0.0000 0.5000-0.0000 ( 3588 PWs) bands (ev): -20.0481 -20.0481 -16.9221 -16.9221 -16.7278 -16.7278 -16.7182 -16.7182 -4.7326 -4.7326 -3.8895 -3.8895 -3.8305 -3.8305 -1.9630 -1.9630 -0.6074 -0.6074 -0.2965 -0.2965 0.5653 0.5653 0.6550 0.6550 0.7491 0.7491 1.5006 1.5006 1.6097 1.6097 2.0043 2.0043 2.0885 2.0885 2.1205 2.1205 2.4422 2.4422 2.8702 2.8702 3.1665 3.1665 8.3301 8.3301 10.8851 10.8851 12.7785 12.7785 13.6793 13.6793 k = 0.0139 0.5000-0.0000 ( 3580 PWs) bands (ev): -20.0480 -20.0480 -16.9219 -16.9219 -16.7278 -16.7278 -16.7182 -16.7182 -4.7327 -4.7327 -3.8896 -3.8896 -3.8306 -3.8306 -1.9630 -1.9630 -0.6094 -0.6094 -0.2973 -0.2973 0.5587 0.5587 0.6570 0.6570 0.7439 0.7439 1.5048 1.5048 1.6116 1.6116 2.0051 2.0051 2.0904 2.0904 2.1201 2.1201 2.4441 2.4441 2.8702 2.8702 3.1707 3.1707 8.3313 8.3313 10.8870 10.8870 12.7802 12.7802 13.6787 13.6787 k = 0.0278 0.5000-0.0000 ( 3568 PWs) bands (ev): -20.0480 -20.0480 -16.9213 -16.9213 -16.7278 -16.7278 -16.7182 -16.7182 -4.7329 -4.7329 -3.8899 -3.8899 -3.8308 -3.8308 -1.9632 -1.9632 -0.6156 -0.6156 -0.2997 -0.2997 0.5394 0.5394 0.6621 0.6621 0.7298 0.7298 1.5166 1.5166 1.6173 1.6173 2.0072 2.0072 2.0956 2.0956 2.1194 2.1194 2.4496 2.4496 2.8703 2.8703 3.1833 3.1833 8.3350 8.3350 10.8928 10.8928 12.7851 12.7851 13.6768 13.6768 k = 0.0417 0.5000-0.0000 ( 3568 PWs) bands (ev): -20.0479 -20.0479 -16.9204 -16.9204 -16.7279 -16.7279 -16.7182 -16.7182 -4.7332 -4.7332 -3.8903 -3.8903 -3.8312 -3.8312 -1.9635 -1.9635 -0.6259 -0.6259 -0.3036 -0.3036 0.5087 0.5087 0.6684 0.6684 0.7102 0.7102 1.5337 1.5337 1.6267 1.6267 2.0109 2.0109 2.1011 2.1011 2.1213 2.1213 2.4581 2.4581 2.8704 2.8704 3.2045 3.2045 8.3412 8.3412 10.9023 10.9023 12.7932 12.7932 13.6734 13.6734 k = 0.0556 0.5000-0.0000 ( 3576 PWs) bands (ev): -20.0477 -20.0477 -16.9192 -16.9192 -16.7279 -16.7279 -16.7183 -16.7183 -4.7337 -4.7337 -3.8910 -3.8910 -3.8318 -3.8318 -1.9639 -1.9639 -0.6407 -0.6407 -0.3089 -0.3089 0.4675 0.4675 0.6730 0.6730 0.6901 0.6901 1.5536 1.5536 1.6394 1.6394 2.0160 2.0160 2.1016 2.1016 2.1310 2.1310 2.4689 2.4689 2.8704 2.8704 3.2346 3.2346 8.3498 8.3498 10.9156 10.9156 12.8045 12.8045 13.6682 13.6682 k = 0.0694 0.5000-0.0000 ( 3582 PWs) bands (ev): -20.0475 -20.0475 -16.9175 -16.9175 -16.7280 -16.7280 -16.7183 -16.7183 -4.7343 -4.7343 -3.8919 -3.8919 -3.8324 -3.8324 -1.9645 -1.9645 -0.6599 -0.6599 -0.3153 -0.3153 0.4175 0.4175 0.6610 0.6610 0.6867 0.6867 1.5743 1.5743 1.6549 1.6549 2.0225 2.0225 2.0980 2.0980 2.1474 2.1474 2.4811 2.4811 2.8704 2.8704 3.2738 3.2738 8.3610 8.3610 10.9326 10.9326 12.8190 12.8190 13.6609 13.6609 k = 0.0833 0.5000-0.0000 ( 3586 PWs) bands (ev): -20.0473 -20.0473 -16.9156 -16.9156 -16.7280 -16.7280 -16.7184 -16.7184 -4.7351 -4.7351 -3.8929 -3.8929 -3.8332 -3.8332 -1.9651 -1.9651 -0.6838 -0.6838 -0.3226 -0.3226 0.3608 0.3608 0.6398 0.6398 0.6931 0.6931 1.5946 1.5946 1.6723 1.6723 2.0306 2.0306 2.0929 2.0929 2.1675 2.1675 2.4938 2.4938 2.8703 2.8703 3.3219 3.3219 8.3748 8.3748 10.9534 10.9534 12.8365 12.8365 13.6509 13.6509 k = 0.0972 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0470 -20.0470 -16.9133 -16.9133 -16.7281 -16.7281 -16.7185 -16.7185 -4.7360 -4.7360 -3.8943 -3.8943 -3.8340 -3.8340 -1.9659 -1.9659 -0.7126 -0.7126 -0.3306 -0.3306 0.3001 0.3001 0.6184 0.6184 0.7004 0.7004 1.6141 1.6141 1.6907 1.6907 2.0401 2.0401 2.0871 2.0871 2.1901 2.1901 2.5064 2.5064 2.8700 2.8700 3.3788 3.3788 8.3911 8.3911 10.9777 10.9777 12.8571 12.8571 13.6379 13.6379 k = 0.1111 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0467 -20.0467 -16.9107 -16.9107 -16.7282 -16.7282 -16.7185 -16.7185 -4.7370 -4.7370 -3.8958 -3.8958 -3.8348 -3.8348 -1.9668 -1.9668 -0.7462 -0.7462 -0.3392 -0.3392 0.2375 0.2375 0.5973 0.5973 0.7079 0.7079 1.6328 1.6328 1.7095 1.7095 2.0512 2.0512 2.0812 2.0812 2.2143 2.2143 2.5182 2.5182 2.8697 2.8697 3.4437 3.4437 8.4102 8.4102 11.0057 11.0057 12.8804 12.8804 13.6215 13.6215 k = 0.1250 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0463 -20.0463 -16.9079 -16.9079 -16.7283 -16.7283 -16.7186 -16.7186 -4.7381 -4.7381 -3.8976 -3.8976 -3.8356 -3.8356 -1.9679 -1.9679 -0.7847 -0.7847 -0.3481 -0.3481 0.1749 0.1749 0.5765 0.5765 0.7155 0.7155 1.6505 1.6505 1.7281 1.7281 2.0637 2.0637 2.0753 2.0753 2.2395 2.2395 2.5290 2.5290 2.8693 2.8693 3.5158 3.5158 8.4319 8.4319 11.0371 11.0371 12.9065 12.9065 13.6017 13.6017 k = 0.1389 0.5000-0.0000 ( 3590 PWs) bands (ev): -20.0460 -20.0460 -16.9047 -16.9047 -16.7285 -16.7285 -16.7186 -16.7186 -4.7394 -4.7394 -3.8997 -3.8997 -3.8364 -3.8364 -1.9690 -1.9690 -0.8278 -0.8278 -0.3573 -0.3573 0.1135 0.1135 0.5558 0.5558 0.7231 0.7231 1.6674 1.6674 1.7462 1.7462 2.0688 2.0688 2.0784 2.0784 2.2653 2.2653 2.5386 2.5386 2.8688 2.8688 3.5941 3.5941 8.4564 8.4564 11.0719 11.0719 12.9350 12.9350 13.5785 13.5785 k = 0.1528 0.5000-0.0000 ( 3586 PWs) bands (ev): -20.0455 -20.0455 -16.9014 -16.9014 -16.7287 -16.7287 -16.7187 -16.7187 -4.7407 -4.7407 -3.9021 -3.9021 -3.8370 -3.8370 -1.9703 -1.9703 -0.8753 -0.8753 -0.3666 -0.3666 0.0545 0.0545 0.5354 0.5354 0.7306 0.7306 1.6834 1.6834 1.7640 1.7640 2.0633 2.0633 2.0939 2.0939 2.2912 2.2912 2.5470 2.5470 2.8682 2.8682 3.6774 3.6774 8.4837 8.4837 11.1100 11.1100 12.9659 12.9659 13.5520 13.5520 k = 0.1667 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0451 -20.0451 -16.8978 -16.8978 -16.7289 -16.7289 -16.7187 -16.7187 -4.7422 -4.7422 -3.9047 -3.9047 -3.8376 -3.8376 -1.9717 -1.9717 -0.9268 -0.9268 -0.3761 -0.3761 -0.0016 -0.0016 0.5152 0.5152 0.7380 0.7380 1.6984 1.6984 1.7812 1.7812 2.0578 2.0578 2.1109 2.1109 2.3169 2.3169 2.5544 2.5544 2.8677 2.8677 3.7644 3.7644 8.5138 8.5138 11.1513 11.1513 12.9986 12.9986 13.5226 13.5226 k = 0.1806 0.5000-0.0000 ( 3588 PWs) bands (ev): -20.0447 -20.0447 -16.8940 -16.8940 -16.7291 -16.7291 -16.7188 -16.7188 -4.7437 -4.7437 -3.9076 -3.9076 -3.8381 -3.8381 -1.9732 -1.9732 -0.9817 -0.9817 -0.3857 -0.3857 -0.0544 -0.0544 0.4954 0.4954 0.7453 0.7453 1.7124 1.7124 1.7979 1.7979 2.0526 2.0526 2.1292 2.1292 2.3420 2.3420 2.5610 2.5610 2.8672 2.8672 3.8540 3.8540 8.5468 8.5468 11.1958 11.1958 13.0329 13.0329 13.4905 13.4905 k = 0.1944 0.5000-0.0000 ( 3596 PWs) bands (ev): -20.0442 -20.0442 -16.8900 -16.8900 -16.7294 -16.7294 -16.7188 -16.7188 -4.7453 -4.7453 -3.9107 -3.9107 -3.8385 -3.8385 -1.9748 -1.9748 -1.0393 -1.0393 -0.3954 -0.3954 -0.1037 -0.1037 0.4759 0.4759 0.7523 0.7523 1.7254 1.7254 1.8141 1.8141 2.0477 2.0477 2.1488 2.1488 2.3663 2.3663 2.5672 2.5672 2.8667 2.8667 3.9452 3.9452 8.5827 8.5827 11.2431 11.2431 13.0682 13.0682 13.4563 13.4563 k = 0.2083 0.5000-0.0000 ( 3596 PWs) bands (ev): -20.0437 -20.0437 -16.8859 -16.8859 -16.7297 -16.7297 -16.7188 -16.7188 -4.7469 -4.7469 -3.9140 -3.9140 -3.8387 -3.8387 -1.9766 -1.9766 -1.0989 -1.0989 -0.4051 -0.4051 -0.1496 -0.1496 0.4569 0.4569 0.7591 0.7591 1.7376 1.7376 1.8297 1.8297 2.0431 2.0431 2.1693 2.1693 2.3893 2.3893 2.5732 2.5732 2.8665 2.8665 4.0369 4.0369 8.6214 8.6214 11.2933 11.2933 13.1037 13.1037 13.4207 13.4207 k = 0.2222 0.5000-0.0000 ( 3596 PWs) bands (ev): -20.0432 -20.0432 -16.8817 -16.8817 -16.7300 -16.7300 -16.7187 -16.7187 -4.7487 -4.7487 -3.9174 -3.9174 -3.8388 -3.8388 -1.9785 -1.9785 -1.1597 -1.1597 -0.4150 -0.4150 -0.1920 -0.1920 0.4384 0.4384 0.7657 0.7657 1.7488 1.7488 1.8446 1.8446 2.0388 2.0388 2.1907 2.1907 2.4107 2.4107 2.5796 2.5796 2.8664 2.8664 4.1281 4.1281 8.6629 8.6629 11.3461 11.3461 13.1382 13.1382 13.3844 13.3844 k = 0.2361 0.5000-0.0000 ( 3600 PWs) bands (ev): -20.0427 -20.0427 -16.8774 -16.8774 -16.7303 -16.7303 -16.7187 -16.7187 -4.7504 -4.7504 -3.9210 -3.9210 -3.8389 -3.8389 -1.9806 -1.9806 -1.2212 -1.2212 -0.4249 -0.4249 -0.2310 -0.2310 0.4206 0.4206 0.7719 0.7719 1.7592 1.7592 1.8590 1.8590 2.0349 2.0349 2.2127 2.2127 2.4300 2.4300 2.5868 2.5868 2.8666 2.8666 4.2182 4.2182 8.7072 8.7072 11.4015 11.4015 13.1694 13.1694 13.3496 13.3496 k = 0.2500 0.5000-0.0000 ( 3614 PWs) bands (ev): -20.0422 -20.0422 -16.8731 -16.8731 -16.7307 -16.7307 -16.7187 -16.7187 -4.7522 -4.7522 -3.9247 -3.9247 -3.8388 -3.8388 -1.9829 -1.9829 -1.2824 -1.2824 -0.4350 -0.4350 -0.2670 -0.2670 0.4034 0.4034 0.7778 0.7778 1.7689 1.7689 1.8726 1.8726 2.0312 2.0312 2.2351 2.2351 2.4467 2.4467 2.5951 2.5951 2.8671 2.8671 4.3064 4.3064 8.7541 8.7541 11.4592 11.4592 13.1917 13.1917 13.3214 13.3214 k = 0.2639 0.5000-0.0000 ( 3596 PWs) bands (ev): -20.0416 -20.0416 -16.8687 -16.8687 -16.7311 -16.7311 -16.7186 -16.7186 -4.7540 -4.7540 -3.9285 -3.9285 -3.8386 -3.8386 -1.9853 -1.9853 -1.3428 -1.3428 -0.4452 -0.4452 -0.2998 -0.2998 0.3869 0.3869 0.7834 0.7834 1.7779 1.7779 1.8856 1.8856 2.0279 2.0279 2.2576 2.2576 2.4605 2.4605 2.6048 2.6048 2.8681 2.8681 4.3920 4.3920 8.8035 8.8035 11.5191 11.5191 13.1934 13.1934 13.3108 13.3108 k = 0.2778 0.5000-0.0000 ( 3596 PWs) bands (ev): -20.0411 -20.0411 -16.8644 -16.8644 -16.7315 -16.7315 -16.7185 -16.7185 -4.7558 -4.7558 -3.9322 -3.9322 -3.8383 -3.8383 -1.9880 -1.9880 -1.4019 -1.4019 -0.4557 -0.4557 -0.3296 -0.3296 0.3712 0.3712 0.7887 0.7887 1.7863 1.7863 1.8978 1.8978 2.0248 2.0248 2.2800 2.2800 2.4714 2.4714 2.6160 2.6160 2.8695 2.8695 4.4744 4.4744 8.8550 8.8550 11.5810 11.5810 13.1705 13.1705 13.3212 13.3212 k = 0.2917 0.5000-0.0000 ( 3592 PWs) bands (ev): -20.0406 -20.0406 -16.8601 -16.8601 -16.7320 -16.7320 -16.7184 -16.7184 -4.7576 -4.7576 -3.9360 -3.9360 -3.8380 -3.8380 -1.9910 -1.9910 -1.4589 -1.4589 -0.4666 -0.4666 -0.3565 -0.3565 0.3564 0.3564 0.7937 0.7937 1.7940 1.7940 1.9094 1.9094 2.0221 2.0221 2.3020 2.3020 2.4795 2.4795 2.6284 2.6284 2.8714 2.8714 4.5533 4.5533 8.9085 8.9085 11.6445 11.6445 13.1348 13.1348 13.3402 13.3402 k = 0.3056 0.5000-0.0000 ( 3592 PWs) bands (ev): -20.0401 -20.0401 -16.8559 -16.8559 -16.7324 -16.7324 -16.7183 -16.7183 -4.7593 -4.7593 -3.9397 -3.9397 -3.8376 -3.8376 -1.9943 -1.9943 -1.5134 -1.5134 -0.4778 -0.4778 -0.3804 -0.3804 0.3424 0.3424 0.7983 0.7983 1.8012 1.8012 1.9202 1.9202 2.0198 2.0198 2.3236 2.3236 2.4852 2.4852 2.6414 2.6414 2.8740 2.8740 4.6281 4.6281 8.9634 8.9634 11.7096 11.7096 13.0944 13.0944 13.3588 13.3588 k = 0.3194 0.5000-0.0000 ( 3592 PWs) bands (ev): -20.0396 -20.0396 -16.8518 -16.8518 -16.7329 -16.7329 -16.7182 -16.7182 -4.7610 -4.7610 -3.9433 -3.9433 -3.8372 -3.8372 -1.9980 -1.9980 -1.5650 -1.5650 -0.4895 -0.4895 -0.4014 -0.4014 0.3292 0.3292 0.8025 0.8025 1.8078 1.8078 1.9302 1.9302 2.0177 2.0177 2.3444 2.3444 2.4890 2.4890 2.6546 2.6546 2.8772 2.8772 4.6986 4.6986 9.0195 9.0195 11.7758 11.7758 13.0523 13.0523 13.3734 13.3734 k = 0.3333 0.5000-0.0000 ( 3604 PWs) bands (ev): -20.0392 -20.0392 -16.8479 -16.8479 -16.7333 -16.7333 -16.7181 -16.7181 -4.7627 -4.7627 -3.9467 -3.9467 -3.8367 -3.8367 -2.0021 -2.0021 -1.6132 -1.6132 -0.5017 -0.5017 -0.4195 -0.4195 0.3170 0.3170 0.8065 0.8065 1.8138 1.8138 1.9395 1.9395 2.0160 2.0160 2.3642 2.3642 2.4914 2.4914 2.6675 2.6675 2.8810 2.8810 4.7644 4.7644 9.0761 9.0761 11.8429 11.8429 13.0102 13.0102 13.3819 13.3819 k = 0.3472 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0388 -20.0388 -16.8441 -16.8441 -16.7338 -16.7338 -16.7180 -16.7180 -4.7643 -4.7643 -3.9500 -3.9500 -3.8363 -3.8363 -2.0068 -2.0068 -1.6577 -1.6577 -0.5142 -0.5142 -0.4348 -0.4348 0.3057 0.3057 0.8101 0.8101 1.8194 1.8194 1.9479 1.9479 2.0146 2.0146 2.3830 2.3830 2.4928 2.4928 2.6795 2.6795 2.8855 2.8855 4.8254 4.8254 9.1327 9.1327 11.9103 11.9103 12.9690 12.9690 13.3831 13.3831 k = 0.3611 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0383 -20.0383 -16.8405 -16.8405 -16.7342 -16.7342 -16.7179 -16.7179 -4.7658 -4.7658 -3.9532 -3.9532 -3.8358 -3.8358 -2.0121 -2.0121 -1.6981 -1.6981 -0.5268 -0.5268 -0.4477 -0.4477 0.2954 0.2954 0.8133 0.8133 1.8244 1.8244 1.9556 1.9556 2.0136 2.0136 2.4005 2.4005 2.4934 2.4934 2.6905 2.6905 2.8905 2.8905 4.8814 4.8814 9.1885 9.1885 11.9775 11.9775 12.9298 12.9298 13.3763 13.3763 k = 0.3750 0.5000-0.0000 ( 3592 PWs) bands (ev): -20.0380 -20.0380 -16.8372 -16.8372 -16.7347 -16.7347 -16.7178 -16.7178 -4.7672 -4.7672 -3.9561 -3.9561 -3.8354 -3.8354 -2.0180 -2.0180 -1.7341 -1.7341 -0.5391 -0.5391 -0.4585 -0.4585 0.2860 0.2860 0.8163 0.8163 1.8288 1.8288 1.9623 1.9623 2.0129 2.0129 2.4166 2.4166 2.4936 2.4936 2.7003 2.7003 2.8959 2.8959 4.9321 4.9321 9.2429 9.2429 12.0438 12.0438 12.8936 12.8936 13.3611 13.3611 k = 0.3889 0.5000-0.0000 ( 3590 PWs) bands (ev): -20.0376 -20.0376 -16.8341 -16.8341 -16.7351 -16.7351 -16.7177 -16.7177 -4.7685 -4.7685 -3.9587 -3.9587 -3.8349 -3.8349 -2.0246 -2.0246 -1.7655 -1.7655 -0.5507 -0.5507 -0.4676 -0.4676 0.2776 0.2776 0.8189 0.8189 1.8328 1.8328 1.9682 1.9682 2.0126 2.0126 2.4311 2.4311 2.4935 2.4935 2.7088 2.7088 2.9016 2.9016 4.9777 4.9777 9.2950 9.2950 12.1083 12.1083 12.8617 12.8617 13.3378 13.3378 k = 0.4028 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0373 -20.0373 -16.8313 -16.8313 -16.7354 -16.7354 -16.7176 -16.7176 -4.7696 -4.7696 -3.9612 -3.9612 -3.8345 -3.8345 -2.0318 -2.0318 -1.7923 -1.7923 -0.5615 -0.5615 -0.4752 -0.4752 0.2701 0.2701 0.8212 0.8212 1.8363 1.8363 1.9731 1.9731 2.0127 2.0127 2.4439 2.4439 2.4933 2.4933 2.7160 2.7160 2.9074 2.9074 5.0178 5.0178 9.3439 9.3439 12.1695 12.1695 12.8358 12.8358 13.3067 13.3067 k = 0.4167 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0370 -20.0370 -16.8289 -16.8289 -16.7358 -16.7358 -16.7175 -16.7175 -4.7707 -4.7707 -3.9633 -3.9633 -3.8341 -3.8341 -2.0392 -2.0392 -1.8145 -1.8145 -0.5711 -0.5711 -0.4815 -0.4815 0.2637 0.2637 0.8232 0.8232 1.8393 1.8393 1.9771 1.9771 2.0131 2.0131 2.4549 2.4549 2.4933 2.4933 2.7220 2.7220 2.9129 2.9129 5.0527 5.0527 9.3887 9.3887 12.2258 12.2258 12.8178 12.8178 13.2686 13.2686 k = 0.4306 0.5000-0.0000 ( 3594 PWs) bands (ev): -20.0368 -20.0368 -16.8267 -16.8267 -16.7361 -16.7361 -16.7174 -16.7174 -4.7716 -4.7716 -3.9651 -3.9651 -3.8338 -3.8338 -2.0467 -2.0467 -1.8323 -1.8323 -0.5794 -0.5794 -0.4867 -0.4867 0.2582 0.2582 0.8248 0.8248 1.8418 1.8418 1.9802 1.9802 2.0138 2.0138 2.4638 2.4638 2.4935 2.4935 2.7269 2.7269 2.9180 2.9180 5.0822 5.0822 9.4286 9.4286 12.2750 12.2750 12.8099 12.8099 13.2245 13.2245 k = 0.4444 0.5000-0.0000 ( 3590 PWs) bands (ev): -20.0366 -20.0366 -16.8249 -16.8249 -16.7364 -16.7364 -16.7174 -16.7174 -4.7723 -4.7723 -3.9666 -3.9666 -3.8335 -3.8335 -2.0538 -2.0538 -1.8461 -1.8461 -0.5864 -0.5864 -0.4908 -0.4908 0.2537 0.2537 0.8262 0.8262 1.8439 1.8439 1.9825 1.9825 2.0146 2.0146 2.4705 2.4705 2.4943 2.4943 2.7308 2.7308 2.9225 2.9225 5.1062 5.1062 9.4627 9.4627 12.3152 12.3152 12.8142 12.8142 13.1757 13.1757 k = 0.4583 0.5000-0.0000 ( 3586 PWs) bands (ev): -20.0364 -20.0364 -16.8235 -16.8235 -16.7366 -16.7366 -16.7173 -16.7173 -4.7729 -4.7729 -3.9678 -3.9678 -3.8333 -3.8333 -2.0599 -2.0599 -1.8563 -1.8563 -0.5918 -0.5918 -0.4940 -0.4940 0.2502 0.2502 0.8273 0.8273 1.8455 1.8455 1.9842 1.9842 2.0154 2.0154 2.4750 2.4750 2.4957 2.4957 2.7337 2.7337 2.9262 2.9262 5.1250 5.1250 9.4901 9.4901 12.3449 12.3449 12.8317 12.8317 13.1237 13.1237 k = 0.4722 0.5000-0.0000 ( 3586 PWs) bands (ev): -20.0363 -20.0363 -16.8225 -16.8225 -16.7367 -16.7367 -16.7173 -16.7173 -4.7733 -4.7733 -3.9687 -3.9687 -3.8331 -3.8331 -2.0646 -2.0646 -1.8633 -1.8633 -0.5958 -0.5958 -0.4962 -0.4962 0.2477 0.2477 0.8280 0.8280 1.8466 1.8466 1.9853 1.9853 2.0161 2.0161 2.4776 2.4776 2.4973 2.4973 2.7357 2.7357 2.9290 2.9290 5.1383 5.1383 9.5102 9.5102 12.3645 12.3645 12.8614 12.8614 13.0703 13.0703 k = 0.4861 0.5000-0.0000 ( 3574 PWs) bands (ev): -20.0362 -20.0362 -16.8219 -16.8219 -16.7368 -16.7368 -16.7173 -16.7173 -4.7736 -4.7736 -3.9692 -3.9692 -3.8330 -3.8330 -2.0676 -2.0676 -1.8673 -1.8673 -0.5981 -0.5981 -0.4975 -0.4975 0.2462 0.2462 0.8285 0.8285 1.8473 1.8473 1.9859 1.9859 2.0166 2.0166 2.4788 2.4788 2.4986 2.4986 2.7369 2.7369 2.9307 2.9307 5.1464 5.1464 9.5225 9.5225 12.3751 12.3751 12.8989 12.8989 13.0193 13.0193 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -20.0362 -20.0362 -16.8217 -16.8217 -16.7368 -16.7368 -16.7172 -16.7172 -4.7736 -4.7736 -3.9693 -3.9693 -3.8330 -3.8330 -2.0686 -2.0686 -1.8686 -1.8686 -0.5989 -0.5989 -0.4980 -0.4980 0.2458 0.2458 0.8286 0.8286 1.8475 1.8475 1.9861 1.9861 2.0168 2.0168 2.4792 2.4792 2.4990 2.4990 2.7373 2.7373 2.9312 2.9312 5.1490 5.1490 9.5267 9.5267 12.3785 12.3785 12.9251 12.9251 12.9887 12.9887 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -20.0362 -20.0362 -16.8217 -16.8217 -16.7368 -16.7368 -16.7172 -16.7172 -4.7736 -4.7736 -3.9693 -3.9693 -3.8330 -3.8330 -2.0686 -2.0686 -1.8686 -1.8686 -0.5989 -0.5989 -0.4980 -0.4980 0.2458 0.2458 0.8286 0.8286 1.8475 1.8475 1.9861 1.9861 2.0168 2.0168 2.4792 2.4792 2.4990 2.4990 2.7373 2.7373 2.9312 2.9312 5.1490 5.1490 9.5267 9.5267 12.3785 12.3785 12.9251 12.9251 12.9887 12.9887 k = 0.4900 0.4900-0.0000 ( 3580 PWs) bands (ev): -20.0362 -20.0362 -16.8219 -16.8219 -16.7368 -16.7368 -16.7173 -16.7173 -4.7736 -4.7736 -3.9692 -3.9692 -3.8330 -3.8330 -2.0676 -2.0676 -1.8672 -1.8672 -0.5981 -0.5981 -0.4975 -0.4975 0.2463 0.2463 0.8285 0.8285 1.8473 1.8473 1.9859 1.9859 2.0166 2.0166 2.4788 2.4788 2.4985 2.4985 2.7369 2.7369 2.9306 2.9306 5.1463 5.1463 9.5224 9.5224 12.3751 12.3751 12.8980 12.8980 13.0203 13.0203 k = 0.4800 0.4800-0.0000 ( 3580 PWs) bands (ev): -20.0363 -20.0363 -16.8226 -16.8226 -16.7367 -16.7367 -16.7173 -16.7173 -4.7733 -4.7733 -3.9686 -3.9686 -3.8331 -3.8331 -2.0644 -2.0644 -1.8632 -1.8632 -0.5956 -0.5956 -0.4962 -0.4962 0.2478 0.2478 0.8280 0.8280 1.8466 1.8466 1.9853 1.9853 2.0161 2.0161 2.4777 2.4777 2.4970 2.4970 2.7357 2.7357 2.9289 2.9289 5.1380 5.1380 9.5095 9.5095 12.3648 12.3648 12.8587 12.8587 13.0729 13.0729 k = 0.4700 0.4700-0.0000 ( 3584 PWs) bands (ev): -20.0364 -20.0364 -16.8236 -16.8236 -16.7366 -16.7366 -16.7173 -16.7173 -4.7729 -4.7729 -3.9677 -3.9677 -3.8333 -3.8333 -2.0590 -2.0590 -1.8563 -1.8563 -0.5915 -0.5915 -0.4939 -0.4939 0.2504 0.2504 0.8272 0.8272 1.8454 1.8454 1.9843 1.9843 2.0153 2.0153 2.4759 2.4759 2.4946 2.4946 2.7336 2.7336 2.9259 2.9259 5.1242 5.1242 9.4881 9.4881 12.3478 12.3478 12.8251 12.8251 13.1285 13.1285 k = 0.4600 0.4600-0.0000 ( 3592 PWs) bands (ev): -20.0366 -20.0366 -16.8251 -16.8251 -16.7364 -16.7364 -16.7174 -16.7174 -4.7723 -4.7723 -3.9665 -3.9665 -3.8335 -3.8335 -2.0516 -2.0516 -1.8468 -1.8468 -0.5858 -0.5858 -0.4906 -0.4906 0.2540 0.2540 0.8261 0.8261 1.8437 1.8437 1.9829 1.9829 2.0143 2.0143 2.4734 2.4734 2.4911 2.4911 2.7307 2.7307 2.9218 2.9218 5.1050 5.1050 9.4582 9.4582 12.3246 12.3246 12.8001 12.8001 13.1835 13.1835 k = 0.4500 0.4500-0.0000 ( 3590 PWs) bands (ev): -20.0368 -20.0368 -16.8269 -16.8269 -16.7361 -16.7361 -16.7175 -16.7175 -4.7715 -4.7715 -3.9650 -3.9650 -3.8338 -3.8338 -2.0420 -2.0420 -1.8347 -1.8347 -0.5785 -0.5785 -0.4865 -0.4865 0.2586 0.2586 0.8248 0.8248 1.8414 1.8414 1.9811 1.9811 2.0131 2.0131 2.4701 2.4701 2.4868 2.4868 2.7271 2.7271 2.9165 2.9165 5.0806 5.0806 9.4200 9.4200 12.2964 12.2964 12.7838 12.7838 13.2360 13.2360 k = 0.4400 0.4400-0.0000 ( 3594 PWs) bands (ev): -20.0371 -20.0371 -16.8291 -16.8291 -16.7358 -16.7358 -16.7175 -16.7175 -4.7706 -4.7706 -3.9631 -3.9631 -3.8342 -3.8342 -2.0304 -2.0304 -1.8198 -1.8198 -0.5696 -0.5696 -0.4814 -0.4814 0.2643 0.2643 0.8231 0.8231 1.8386 1.8386 1.9790 1.9790 2.0118 2.0118 2.4659 2.4659 2.4817 2.4817 2.7226 2.7226 2.9100 2.9100 5.0509 5.0509 9.3737 9.3737 12.2648 12.2648 12.7756 12.7756 13.2849 13.2849 k = 0.4300 0.4300-0.0000 ( 3602 PWs) bands (ev): -20.0374 -20.0374 -16.8316 -16.8316 -16.7355 -16.7355 -16.7177 -16.7177 -4.7695 -4.7695 -3.9609 -3.9609 -3.8346 -3.8346 -2.0166 -2.0166 -1.8024 -1.8024 -0.5591 -0.5591 -0.4754 -0.4754 0.2709 0.2709 0.8211 0.8211 1.8352 1.8352 1.9766 1.9766 2.0104 2.0104 2.4609 2.4609 2.4759 2.4759 2.7173 2.7173 2.9025 2.9025 5.0162 5.0162 9.3195 9.3195 12.2318 12.2318 12.7741 12.7741 13.3295 13.3295 k = 0.4200 0.4200-0.0000 ( 3592 PWs) bands (ev): -20.0377 -20.0377 -16.8345 -16.8345 -16.7352 -16.7352 -16.7178 -16.7178 -4.7683 -4.7683 -3.9585 -3.9585 -3.8351 -3.8351 -2.0008 -2.0008 -1.7824 -1.7824 -0.5471 -0.5471 -0.4685 -0.4685 0.2785 0.2785 0.8188 0.8188 1.8312 1.8312 1.9741 1.9741 2.0090 2.0090 2.4550 2.4550 2.4696 2.4696 2.7113 2.7113 2.8938 2.8938 4.9766 4.9766 9.2577 9.2577 12.1990 12.1990 12.7779 12.7779 13.3694 13.3694 k = 0.4100 0.4100-0.0000 ( 3602 PWs) bands (ev): -20.0381 -20.0381 -16.8376 -16.8376 -16.7348 -16.7348 -16.7180 -16.7180 -4.7671 -4.7671 -3.9558 -3.9558 -3.8356 -3.8356 -1.9829 -1.9829 -1.7599 -1.7599 -0.5336 -0.5336 -0.4606 -0.4606 0.2871 0.2871 0.8163 0.8163 1.8265 1.8265 1.9715 1.9715 2.0076 2.0076 2.4480 2.4480 2.4628 2.4628 2.7045 2.7045 2.8840 2.8840 4.9324 4.9324 9.1886 9.1886 12.1677 12.1677 12.7854 12.7854 13.4042 13.4042 k = 0.4000 0.4000-0.0000 ( 3608 PWs) bands (ev): -20.0386 -20.0386 -16.8410 -16.8410 -16.7345 -16.7345 -16.7182 -16.7182 -4.7657 -4.7657 -3.9528 -3.9528 -3.8362 -3.8362 -1.9630 -1.9630 -1.7350 -1.7350 -0.5186 -0.5186 -0.4518 -0.4518 0.2967 0.2967 0.8135 0.8135 1.8212 1.8212 1.9689 1.9689 2.0061 2.0061 2.4399 2.4399 2.4556 2.4556 2.6968 2.6968 2.8732 2.8732 4.8837 4.8837 9.1128 9.1128 12.1387 12.1387 12.7955 12.7955 13.4340 13.4340 k = 0.3900 0.3900-0.0000 ( 3596 PWs) bands (ev): -20.0390 -20.0390 -16.8446 -16.8446 -16.7342 -16.7342 -16.7184 -16.7184 -4.7642 -4.7642 -3.9497 -3.9497 -3.8367 -3.8367 -1.9411 -1.9411 -1.7077 -1.7077 -0.5023 -0.5023 -0.4419 -0.4419 0.3072 0.3072 0.8105 0.8105 1.8153 1.8153 1.9664 1.9664 2.0047 2.0047 2.4307 2.4307 2.4482 2.4482 2.6885 2.6885 2.8613 2.8613 4.8307 4.8307 9.0308 9.0308 12.1126 12.1126 12.8071 12.8071 13.4587 13.4587 k = 0.3800 0.3800-0.0000 ( 3592 PWs) bands (ev): -20.0396 -20.0396 -16.8485 -16.8485 -16.7338 -16.7338 -16.7186 -16.7186 -4.7626 -4.7626 -3.9464 -3.9464 -3.8374 -3.8374 -1.9173 -1.9173 -1.6781 -1.6781 -0.4847 -0.4847 -0.4311 -0.4311 0.3186 0.3186 0.8073 0.8073 1.8088 1.8088 1.9642 1.9642 2.0032 2.0032 2.4206 2.4206 2.4406 2.4406 2.6794 2.6794 2.8485 2.8485 4.7737 4.7737 8.9429 8.9429 12.0897 12.0897 12.8193 12.8193 13.4781 13.4781 k = 0.3700 0.3700-0.0000 ( 3590 PWs) bands (ev): -20.0401 -20.0401 -16.8526 -16.8526 -16.7335 -16.7335 -16.7189 -16.7189 -4.7610 -4.7610 -3.9429 -3.9429 -3.8380 -3.8380 -1.8915 -1.8915 -1.6463 -1.6463 -0.4659 -0.4659 -0.4190 -0.4190 0.3310 0.3310 0.8039 0.8039 1.8017 1.8017 1.9622 1.9622 2.0018 2.0018 2.4096 2.4096 2.4326 2.4326 2.6696 2.6696 2.8347 2.8347 4.7128 4.7128 8.8497 8.8497 12.0700 12.0700 12.8312 12.8312 13.4920 13.4920 k = 0.3600 0.3600-0.0000 ( 3598 PWs) bands (ev): -20.0407 -20.0407 -16.8568 -16.8568 -16.7333 -16.7333 -16.7192 -16.7192 -4.7594 -4.7594 -3.9393 -3.9393 -3.8387 -3.8387 -1.8638 -1.8638 -1.6124 -1.6124 -0.4461 -0.4461 -0.4058 -0.4058 0.3441 0.3441 0.8002 0.8002 1.7943 1.7943 1.9605 1.9605 2.0002 2.0002 2.3978 2.3978 2.4242 2.4242 2.6590 2.6590 2.8199 2.8199 4.6484 4.6484 8.7519 8.7519 12.0534 12.0534 12.8420 12.8420 13.4999 13.4999 k = 0.3500 0.3500-0.0000 ( 3600 PWs) bands (ev): -20.0414 -20.0414 -16.8612 -16.8612 -16.7330 -16.7330 -16.7195 -16.7195 -4.7577 -4.7577 -3.9357 -3.9357 -3.8394 -3.8394 -1.8343 -1.8343 -1.5766 -1.5766 -0.4256 -0.4256 -0.3910 -0.3910 0.3581 0.3581 0.7965 0.7965 1.7865 1.7865 1.9592 1.9592 1.9987 1.9987 2.3854 2.3854 2.4156 2.4156 2.6478 2.6478 2.8043 2.8043 4.5806 4.5806 8.6499 8.6499 12.0399 12.0399 12.8509 12.8509 13.5013 13.5013 k = 0.3400 0.3400-0.0000 ( 3604 PWs) bands (ev): -20.0421 -20.0421 -16.8658 -16.8658 -16.7327 -16.7327 -16.7199 -16.7199 -4.7561 -4.7561 -3.9320 -3.9320 -3.8401 -3.8401 -1.8030 -1.8030 -1.5389 -1.5389 -0.4047 -0.4047 -0.3745 -0.3745 0.3729 0.3729 0.7926 0.7926 1.7784 1.7784 1.9581 1.9581 1.9971 1.9971 2.3725 2.3725 2.4066 2.4066 2.6359 2.6359 2.7878 2.7878 4.5097 4.5097 8.5443 8.5443 12.0291 12.0291 12.8574 12.8574 13.4954 13.4954 k = 0.3300 0.3300-0.0000 ( 3604 PWs) bands (ev): -20.0428 -20.0428 -16.8704 -16.8704 -16.7325 -16.7325 -16.7203 -16.7203 -4.7544 -4.7544 -3.9283 -3.9283 -3.8409 -3.8409 -1.7699 -1.7699 -1.4995 -1.4995 -0.3840 -0.3840 -0.3556 -0.3556 0.3884 0.3884 0.7886 0.7886 1.7703 1.7703 1.9574 1.9574 1.9954 1.9954 2.3592 2.3592 2.3972 2.3972 2.6234 2.6234 2.7705 2.7705 4.4360 4.4360 8.4355 8.4355 12.0207 12.0207 12.8607 12.8607 13.4815 13.4815 k = 0.3200 0.3200-0.0000 ( 3604 PWs) bands (ev): -20.0436 -20.0436 -16.8752 -16.8752 -16.7323 -16.7323 -16.7207 -16.7207 -4.7528 -4.7528 -3.9246 -3.9246 -3.8416 -3.8416 -1.7350 -1.7350 -1.4585 -1.4585 -0.3637 -0.3637 -0.3341 -0.3341 0.4046 0.4046 0.7847 0.7847 1.7622 1.7622 1.9569 1.9569 1.9938 1.9938 2.3456 2.3456 2.3876 2.3876 2.6103 2.6103 2.7524 2.7524 4.3597 4.3597 8.3241 8.3241 12.0146 12.0146 12.8604 12.8604 13.4588 13.4588 k = 0.3100 0.3100-0.0000 ( 3594 PWs) bands (ev): -20.0443 -20.0443 -16.8800 -16.8800 -16.7321 -16.7321 -16.7211 -16.7211 -4.7512 -4.7512 -3.9209 -3.9209 -3.8424 -3.8424 -1.6985 -1.6985 -1.4162 -1.4162 -0.3437 -0.3437 -0.3102 -0.3102 0.4214 0.4214 0.7808 0.7808 1.7541 1.7541 1.9565 1.9565 1.9922 1.9922 2.3317 2.3317 2.3777 2.3777 2.5965 2.5965 2.7337 2.7337 4.2809 4.2809 8.2106 8.2106 12.0103 12.0103 12.8561 12.8561 13.4273 13.4273 k = 0.3000 0.3000-0.0000 ( 3590 PWs) bands (ev): -20.0452 -20.0452 -16.8849 -16.8849 -16.7319 -16.7319 -16.7215 -16.7215 -4.7496 -4.7496 -3.9173 -3.9173 -3.8431 -3.8431 -1.6605 -1.6605 -1.3726 -1.3726 -0.3236 -0.3236 -0.2844 -0.2844 0.4388 0.4388 0.7770 0.7770 1.7463 1.7463 1.9561 1.9561 1.9908 1.9908 2.3178 2.3178 2.3675 2.3675 2.5822 2.5822 2.7143 2.7143 4.2001 4.2001 8.0953 8.0953 12.0077 12.0077 12.8475 12.8475 13.3874 13.3874 k = 0.2900 0.2900-0.0000 ( 3602 PWs) bands (ev): -20.0460 -20.0460 -16.8898 -16.8898 -16.7318 -16.7318 -16.7220 -16.7220 -4.7481 -4.7481 -3.9138 -3.9138 -3.8439 -3.8439 -1.6209 -1.6209 -1.3281 -1.3281 -0.3030 -0.3030 -0.2571 -0.2571 0.4565 0.4565 0.7735 0.7735 1.7387 1.7387 1.9556 1.9556 1.9896 1.9896 2.3037 2.3037 2.3571 2.3571 2.5674 2.5674 2.6943 2.6943 4.1173 4.1173 7.9786 7.9786 12.0064 12.0064 12.8344 12.8344 13.3401 13.3401 k = 0.2800 0.2800-0.0000 ( 3604 PWs) bands (ev): -20.0469 -20.0469 -16.8947 -16.8947 -16.7316 -16.7316 -16.7225 -16.7225 -4.7467 -4.7467 -3.9104 -3.9104 -3.8447 -3.8447 -1.5799 -1.5799 -1.2828 -1.2828 -0.2815 -0.2815 -0.2285 -0.2285 0.4745 0.4745 0.7703 0.7703 1.7314 1.7314 1.9547 1.9547 1.9890 1.9890 2.2899 2.2899 2.3465 2.3465 2.5521 2.5521 2.6737 2.6737 4.0328 4.0328 7.8610 7.8610 12.0062 12.0062 12.8169 12.8169 13.2868 13.2868 k = 0.2700 0.2700-0.0000 ( 3603 PWs) bands (ev): -20.0478 -20.0478 -16.8997 -16.8997 -16.7315 -16.7315 -16.7229 -16.7229 -4.7454 -4.7454 -3.9072 -3.9072 -3.8456 -3.8456 -1.5375 -1.5375 -1.2369 -1.2369 -0.2590 -0.2590 -0.1990 -0.1990 0.4926 0.4926 0.7677 0.7677 1.7244 1.7244 1.9531 1.9531 1.9890 1.9890 2.2762 2.2762 2.3358 2.3358 2.5364 2.5364 2.6526 2.6526 3.9469 3.9469 7.7428 7.7428 12.0069 12.0069 12.7951 12.7951 13.2287 13.2287 k = 0.2600 0.2600-0.0000 ( 3605 PWs) bands (ev): -20.0487 -20.0487 -16.9046 -16.9046 -16.7314 -16.7314 -16.7234 -16.7234 -4.7441 -4.7441 -3.9041 -3.9041 -3.8464 -3.8464 -1.4938 -1.4938 -1.1908 -1.1908 -0.2352 -0.2352 -0.1687 -0.1687 0.5106 0.5106 0.7659 0.7659 1.7178 1.7178 1.9506 1.9506 1.9900 1.9900 2.2628 2.2628 2.3250 2.3250 2.5203 2.5203 2.6312 2.6312 3.8597 3.8597 7.6244 7.6244 12.0083 12.0083 12.7693 12.7693 13.1672 13.1672 k = 0.2500 0.2500-0.0000 ( 3609 PWs) bands (ev): -20.0496 -20.0496 -16.9095 -16.9095 -16.7313 -16.7313 -16.7239 -16.7239 -4.7429 -4.7429 -3.9011 -3.9011 -3.8473 -3.8473 -1.4490 -1.4490 -1.1446 -1.1446 -0.2100 -0.2100 -0.1377 -0.1377 0.5281 0.5281 0.7652 0.7652 1.7114 1.7114 1.9471 1.9471 1.9919 1.9919 2.2498 2.2498 2.3141 2.3141 2.5039 2.5039 2.6093 2.6093 3.7716 3.7716 7.5060 7.5060 12.0102 12.0102 12.7399 12.7399 13.1034 13.1034 k = 0.2400 0.2400-0.0000 ( 3609 PWs) bands (ev): -20.0506 -20.0506 -16.9143 -16.9143 -16.7312 -16.7312 -16.7244 -16.7244 -4.7419 -4.7419 -3.8983 -3.8983 -3.8482 -3.8482 -1.4031 -1.4031 -1.0987 -1.0987 -0.1833 -0.1833 -0.1061 -0.1061 0.5448 0.5448 0.7659 0.7659 1.7054 1.7054 1.9426 1.9426 1.9949 1.9949 2.2374 2.2374 2.3032 2.3032 2.4872 2.4872 2.5871 2.5871 3.6827 3.6827 7.3881 7.3881 12.0124 12.0124 12.7073 12.7073 13.0382 13.0382 k = 0.2300 0.2300-0.0000 ( 3607 PWs) bands (ev): -20.0515 -20.0515 -16.9191 -16.9191 -16.7311 -16.7311 -16.7248 -16.7248 -4.7409 -4.7409 -3.8957 -3.8957 -3.8491 -3.8491 -1.3563 -1.3563 -1.0534 -1.0534 -0.1550 -0.1550 -0.0740 -0.0740 0.5602 0.5602 0.7685 0.7685 1.6996 1.6996 1.9369 1.9369 1.9989 1.9989 2.2256 2.2256 2.2922 2.2922 2.4703 2.4703 2.5647 2.5647 3.5934 3.5934 7.2709 7.2709 12.0148 12.0148 12.6721 12.6721 12.9724 12.9724 k = 0.2200 0.2200-0.0000 ( 3603 PWs) bands (ev): -20.0525 -20.0525 -16.9238 -16.9238 -16.7310 -16.7310 -16.7253 -16.7253 -4.7400 -4.7400 -3.8932 -3.8932 -3.8501 -3.8501 -1.3087 -1.3087 -1.0089 -1.0089 -0.1250 -0.1250 -0.0416 -0.0416 0.5740 0.5740 0.7735 0.7735 1.6939 1.6939 1.9302 1.9302 2.0038 2.0038 2.2146 2.2146 2.2814 2.2814 2.4532 2.4532 2.5421 2.5421 3.5037 3.5037 7.1547 7.1547 12.0173 12.0173 12.6347 12.6347 12.9065 12.9065 k = 0.2100 0.2100-0.0000 ( 3611 PWs) bands (ev): -20.0534 -20.0534 -16.9284 -16.9284 -16.7310 -16.7310 -16.7257 -16.7257 -4.7393 -4.7393 -3.8909 -3.8909 -3.8511 -3.8511 -1.2605 -1.2605 -0.9655 -0.9655 -0.0931 -0.0931 -0.0089 -0.0089 0.5855 0.5855 0.7812 0.7812 1.6883 1.6883 1.9225 1.9225 2.0096 2.0096 2.2042 2.2042 2.2705 2.2705 2.4362 2.4362 2.5194 2.5194 3.4141 3.4141 7.0398 7.0398 12.0198 12.0198 12.5958 12.5958 12.8410 12.8410 k = 0.2000 0.2000-0.0000 ( 3609 PWs) bands (ev): -20.0544 -20.0544 -16.9329 -16.9329 -16.7309 -16.7309 -16.7262 -16.7262 -4.7386 -4.7386 -3.8888 -3.8888 -3.8522 -3.8522 -1.2117 -1.2117 -0.9235 -0.9235 -0.0594 -0.0594 0.0239 0.0239 0.5947 0.5947 0.7918 0.7918 1.6826 1.6826 1.9137 1.9137 2.0164 2.0164 2.1948 2.1948 2.2599 2.2599 2.4191 2.4191 2.4967 2.4967 3.3247 3.3247 6.9266 6.9266 12.0223 12.0223 12.5557 12.5557 12.7763 12.7763 k = 0.1900 0.1900-0.0000 ( 3613 PWs) bands (ev): -20.0553 -20.0553 -16.9373 -16.9373 -16.7308 -16.7308 -16.7266 -16.7266 -4.7380 -4.7380 -3.8868 -3.8868 -3.8533 -3.8533 -1.1627 -1.1627 -0.8833 -0.8833 -0.0238 -0.0238 0.0569 0.0569 0.6015 0.6015 0.8054 0.8054 1.6766 1.6766 1.9039 1.9039 2.0239 2.0239 2.1861 2.1861 2.2493 2.2493 2.4022 2.4022 2.4740 2.4740 3.2358 3.2358 6.8153 6.8153 12.0245 12.0245 12.5150 12.5150 12.7128 12.7128 k = 0.1800 0.1800-0.0000 ( 3609 PWs) bands (ev): -20.0562 -20.0562 -16.9416 -16.9416 -16.7308 -16.7308 -16.7270 -16.7270 -4.7376 -4.7376 -3.8850 -3.8850 -3.8544 -3.8544 -1.1135 -1.1135 -0.8449 -0.8449 0.0137 0.0137 0.0898 0.0898 0.6063 0.6063 0.8217 0.8217 1.6704 1.6704 1.8930 1.8930 2.0323 2.0323 2.1783 2.1783 2.2390 2.2390 2.3855 2.3855 2.4514 2.4514 3.1478 3.1478 6.7064 6.7064 12.0266 12.0266 12.4741 12.4741 12.6509 12.6509 k = 0.1700 0.1700-0.0000 ( 3605 PWs) bands (ev): -20.0571 -20.0571 -16.9457 -16.9457 -16.7307 -16.7307 -16.7273 -16.7273 -4.7372 -4.7372 -3.8833 -3.8833 -3.8556 -3.8556 -1.0645 -1.0645 -0.8085 -0.8085 0.0529 0.0529 0.1226 0.1226 0.6093 0.6093 0.8403 0.8403 1.6637 1.6637 1.8810 1.8810 2.0415 2.0415 2.1714 2.1714 2.2289 2.2289 2.3692 2.3692 2.4290 2.4290 3.0610 3.0610 6.5999 6.5999 12.0284 12.0284 12.4335 12.4335 12.5907 12.5907 k = 0.1600 0.1600-0.0000 ( 3615 PWs) bands (ev): -20.0580 -20.0580 -16.9496 -16.9496 -16.7307 -16.7307 -16.7277 -16.7277 -4.7369 -4.7369 -3.8817 -3.8817 -3.8568 -3.8568 -1.0158 -1.0158 -0.7744 -0.7744 0.0938 0.0938 0.1552 0.1552 0.6111 0.6111 0.8605 0.8605 1.6565 1.6565 1.8679 1.8679 2.0514 2.0514 2.1653 2.1653 2.2191 2.2191 2.3531 2.3531 2.4070 2.4070 2.9758 2.9758 6.4965 6.4965 12.0300 12.0300 12.3935 12.3935 12.5325 12.5325 k = 0.1500 0.1500-0.0000 ( 3615 PWs) bands (ev): -20.0589 -20.0589 -16.9534 -16.9534 -16.7306 -16.7306 -16.7280 -16.7280 -4.7366 -4.7366 -3.8803 -3.8803 -3.8581 -3.8581 -0.9676 -0.9676 -0.7427 -0.7427 0.1358 0.1358 0.1877 0.1877 0.6123 0.6123 0.8821 0.8821 1.6488 1.6488 1.8536 1.8536 2.0618 2.0618 2.1599 2.1599 2.2097 2.2097 2.3376 2.3376 2.3854 2.3854 2.8925 2.8925 6.3963 6.3963 12.0312 12.0312 12.3545 12.3545 12.4766 12.4766 k = 0.1400 0.1400-0.0000 ( 3611 PWs) bands (ev): -20.0597 -20.0597 -16.9570 -16.9570 -16.7306 -16.7306 -16.7283 -16.7283 -4.7365 -4.7365 -3.8790 -3.8790 -3.8594 -3.8594 -0.9204 -0.9204 -0.7132 -0.7132 0.1782 0.1782 0.2204 0.2204 0.6133 0.6133 0.9044 0.9044 1.6404 1.6404 1.8379 1.8379 2.0727 2.0727 2.1554 2.1554 2.2006 2.2006 2.3225 2.3225 2.3646 2.3646 2.8117 2.8117 6.2997 6.2997 12.0323 12.0323 12.3167 12.3167 12.4232 12.4232 k = 0.1300 0.1300-0.0000 ( 3619 PWs) bands (ev): -20.0605 -20.0605 -16.9604 -16.9604 -16.7305 -16.7305 -16.7286 -16.7286 -4.7364 -4.7364 -3.8779 -3.8779 -3.8606 -3.8606 -0.8743 -0.8743 -0.6862 -0.6862 0.2194 0.2194 0.2542 0.2542 0.6146 0.6146 0.9270 0.9270 1.6314 1.6314 1.8208 1.8208 2.0837 2.0837 2.1516 2.1516 2.1920 2.1920 2.3078 2.3078 2.3446 2.3446 2.7338 2.7338 6.2072 6.2072 12.0330 12.0330 12.2805 12.2805 12.3725 12.3725 k = 0.1200 0.1200-0.0000 ( 3619 PWs) bands (ev): -20.0612 -20.0612 -16.9635 -16.9635 -16.7305 -16.7305 -16.7288 -16.7288 -4.7363 -4.7363 -3.8768 -3.8768 -3.8619 -3.8619 -0.8296 -0.8296 -0.6616 -0.6616 0.2564 0.2564 0.2918 0.2918 0.6167 0.6167 0.9496 0.9496 1.6218 1.6218 1.8020 1.8020 2.0945 2.0945 2.1485 2.1485 2.1840 2.1840 2.2935 2.2935 2.3259 2.3259 2.6595 2.6595 6.1191 6.1191 12.0336 12.0336 12.2461 12.2461 12.3247 12.3247 k = 0.1100 0.1100-0.0000 ( 3623 PWs) bands (ev): -20.0620 -20.0620 -16.9665 -16.9665 -16.7305 -16.7305 -16.7291 -16.7291 -4.7363 -4.7363 -3.8758 -3.8758 -3.8631 -3.8631 -0.7868 -0.7868 -0.6392 -0.6392 0.2873 0.2873 0.3341 0.3341 0.6199 0.6199 0.9718 0.9718 1.6118 1.6118 1.7814 1.7814 2.1046 2.1046 2.1463 2.1463 2.1767 2.1767 2.2794 2.2794 2.3088 2.3088 2.5894 2.5894 6.0358 6.0358 12.0339 12.0339 12.2137 12.2137 12.2800 12.2800 k = 0.1000 0.1000-0.0000 ( 3619 PWs) bands (ev): -20.0626 -20.0626 -16.9692 -16.9692 -16.7304 -16.7304 -16.7293 -16.7293 -4.7364 -4.7364 -3.8750 -3.8750 -3.8643 -3.8643 -0.7461 -0.7461 -0.6191 -0.6191 0.3132 0.3132 0.3792 0.3792 0.6245 0.6245 0.9933 0.9933 1.6015 1.6015 1.7589 1.7589 2.1132 2.1132 2.1449 2.1449 2.1703 2.1703 2.2655 2.2655 2.2937 2.2937 2.5242 2.5242 5.9577 5.9577 12.0340 12.0340 12.1835 12.1835 12.2385 12.2385 k = 0.0900 0.0900-0.0000 ( 3629 PWs) bands (ev): -20.0632 -20.0632 -16.9717 -16.9717 -16.7304 -16.7304 -16.7295 -16.7295 -4.7364 -4.7364 -3.8742 -3.8742 -3.8654 -3.8654 -0.7079 -0.7079 -0.6012 -0.6012 0.3352 0.3352 0.4253 0.4253 0.6309 0.6309 1.0136 1.0136 1.5912 1.5912 1.7344 1.7344 2.1195 2.1195 2.1442 2.1442 2.1654 2.1654 2.2520 2.2520 2.2808 2.2808 2.4647 2.4647 5.8853 5.8853 12.0339 12.0339 12.1557 12.1557 12.2004 12.2004 k = 0.0800 0.0800-0.0000 ( 3637 PWs) bands (ev): -20.0638 -20.0638 -16.9740 -16.9740 -16.7304 -16.7304 -16.7296 -16.7296 -4.7365 -4.7365 -3.8735 -3.8735 -3.8665 -3.8665 -0.6725 -0.6725 -0.5854 -0.5854 0.3536 0.3536 0.4712 0.4712 0.6392 0.6392 1.0324 1.0324 1.5810 1.5810 1.7080 1.7080 2.1230 2.1230 2.1431 2.1431 2.1628 2.1628 2.2394 2.2394 2.2701 2.2701 2.4118 2.4118 5.8191 5.8191 12.0338 12.0338 12.1304 12.1304 12.1659 12.1659 k = 0.0700 0.0700-0.0000 ( 3641 PWs) bands (ev): -20.0643 -20.0643 -16.9760 -16.9760 -16.7303 -16.7303 -16.7298 -16.7298 -4.7366 -4.7366 -3.8729 -3.8729 -3.8675 -3.8675 -0.6403 -0.6403 -0.5717 -0.5717 0.3685 0.3685 0.5160 0.5160 0.6491 0.6491 1.0495 1.0495 1.5712 1.5712 1.6800 1.6800 2.1244 2.1244 2.1404 2.1404 2.1623 2.1623 2.2279 2.2279 2.2615 2.2615 2.3661 2.3661 5.7593 5.7593 12.0335 12.0335 12.1078 12.1078 12.1350 12.1350 k = 0.0600 0.0600-0.0000 ( 3661 PWs) bands (ev): -20.0647 -20.0647 -16.9778 -16.9778 -16.7303 -16.7303 -16.7299 -16.7299 -4.7367 -4.7367 -3.8724 -3.8724 -3.8684 -3.8684 -0.6116 -0.6116 -0.5599 -0.5599 0.3802 0.3802 0.5588 0.5588 0.6601 0.6601 1.0645 1.0645 1.5621 1.5621 1.6510 1.6510 2.1245 2.1245 2.1366 2.1366 2.1618 2.1618 2.2175 2.2175 2.2552 2.2552 2.3286 2.3286 5.7065 5.7065 12.0332 12.0332 12.0880 12.0880 12.1081 12.1081 k = 0.0500 0.0500-0.0000 ( 3667 PWs) bands (ev): -20.0651 -20.0651 -16.9793 -16.9793 -16.7303 -16.7303 -16.7300 -16.7300 -4.7368 -4.7368 -3.8720 -3.8720 -3.8692 -3.8692 -0.5867 -0.5867 -0.5501 -0.5501 0.3891 0.3891 0.5987 0.5987 0.6717 0.6717 1.0773 1.0773 1.5540 1.5540 1.6221 1.6221 2.1239 2.1239 2.1325 2.1325 2.1601 2.1601 2.2076 2.2076 2.2514 2.2514 2.2998 2.2998 5.6610 5.6610 12.0329 12.0329 12.0711 12.0711 12.0850 12.0850 k = 0.0400 0.0400-0.0000 ( 3671 PWs) bands (ev): -20.0654 -20.0654 -16.9805 -16.9805 -16.7303 -16.7303 -16.7301 -16.7301 -4.7369 -4.7369 -3.8716 -3.8716 -3.8698 -3.8698 -0.5660 -0.5660 -0.5421 -0.5421 0.3956 0.3956 0.6344 0.6344 0.6829 0.6829 1.0877 1.0877 1.5471 1.5471 1.5946 1.5946 2.1230 2.1230 2.1285 2.1285 2.1572 2.1572 2.1974 2.1974 2.2501 2.2501 2.2795 2.2795 5.6233 5.6233 12.0326 12.0326 12.0571 12.0571 12.0661 12.0661 k = 0.0300 0.0300-0.0000 ( 3669 PWs) bands (ev): -20.0657 -20.0657 -16.9814 -16.9814 -16.7303 -16.7303 -16.7302 -16.7302 -4.7370 -4.7370 -3.8714 -3.8714 -3.8703 -3.8703 -0.5495 -0.5495 -0.5359 -0.5359 0.4001 0.4001 0.6645 0.6645 0.6927 0.6927 1.0957 1.0957 1.5416 1.5416 1.5703 1.5703 2.1220 2.1220 2.1250 2.1250 2.1540 2.1540 2.1875 2.1875 2.2505 2.2505 2.2663 2.2663 5.5936 5.5936 12.0323 12.0323 12.0462 12.0462 12.0512 12.0512 k = 0.0200 0.0200-0.0000 ( 3681 PWs) bands (ev): -20.0658 -20.0658 -16.9821 -16.9821 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8712 -3.8712 -3.8707 -3.8707 -0.5376 -0.5376 -0.5315 -0.5315 0.4030 0.4030 0.6876 0.6876 0.7005 0.7005 1.1013 1.1013 1.5376 1.5376 1.5511 1.5511 2.1209 2.1209 2.1222 2.1222 2.1512 2.1512 2.1795 2.1795 2.2515 2.2515 2.2584 2.2584 5.5721 5.5721 12.0321 12.0321 12.0384 12.0384 12.0406 12.0406 k = 0.0100 0.0100-0.0000 ( 3695 PWs) bands (ev): -20.0659 -20.0659 -16.9825 -16.9825 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8711 -3.8711 -3.8710 -3.8710 -0.5305 -0.5305 -0.5289 -0.5289 0.4046 0.4046 0.7021 0.7021 0.7054 0.7054 1.1046 1.1046 1.5352 1.5352 1.5387 1.5387 2.1201 2.1201 2.1204 2.1204 2.1493 2.1493 2.1744 2.1744 2.2525 2.2525 2.2542 2.2542 5.5592 5.5592 12.0320 12.0320 12.0336 12.0336 12.0341 12.0341 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -20.0660 -20.0660 -16.9827 -16.9827 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8710 -3.8710 -3.8710 -3.8710 -0.5281 -0.5281 -0.5281 -0.5281 0.4051 0.4051 0.7071 0.7071 0.7071 0.7071 1.1057 1.1057 1.5344 1.5344 1.5344 1.5344 2.1198 2.1198 2.1198 2.1198 2.1486 2.1486 2.1727 2.1727 2.2528 2.2528 2.2528 2.2528 5.5549 5.5549 12.0319 12.0319 12.0321 12.0321 12.0321 12.0321 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -20.0660 -20.0660 -16.9827 -16.9827 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8710 -3.8710 -3.8710 -3.8710 -0.5281 -0.5281 -0.5281 -0.5281 0.4051 0.4051 0.7071 0.7071 0.7071 0.7071 1.1057 1.1057 1.5344 1.5344 1.5344 1.5344 2.1198 2.1198 2.1198 2.1198 2.1486 2.1486 2.1727 2.1727 2.2528 2.2528 2.2528 2.2528 5.5549 5.5549 12.0319 12.0319 12.0321 12.0321 12.0321 12.0321 k = 0.0082 0.0082 0.0082 ( 3695 PWs) bands (ev): -20.0659 -20.0659 -16.9825 -16.9825 -16.7303 -16.7303 -16.7303 -16.7303 -4.7371 -4.7371 -3.8711 -3.8711 -3.8710 -3.8710 -0.5299 -0.5299 -0.5295 -0.5295 0.4046 0.4046 0.7034 0.7034 0.7040 0.7040 1.1046 1.1046 1.5357 1.5357 1.5381 1.5381 2.1202 2.1202 2.1203 2.1203 2.1493 2.1493 2.1744 2.1744 2.2524 2.2524 2.2543 2.2543 5.5592 5.5592 12.0327 12.0327 12.0335 12.0335 12.0336 12.0336 k = 0.0164 0.0164 0.0164 ( 3671 PWs) bands (ev): -20.0658 -20.0658 -16.9821 -16.9821 -16.7303 -16.7303 -16.7302 -16.7302 -4.7371 -4.7371 -3.8712 -3.8712 -3.8707 -3.8707 -0.5355 -0.5355 -0.5338 -0.5338 0.4030 0.4030 0.6927 0.6927 0.6949 0.6949 1.1013 1.1013 1.5399 1.5399 1.5491 1.5491 2.1215 2.1215 2.1219 2.1219 2.1512 2.1512 2.1794 2.1794 2.2514 2.2514 2.2587 2.2587 5.5722 5.5722 12.0350 12.0350 12.0379 12.0379 12.0382 12.0382 k = 0.0246 0.0246 0.0246 ( 3671 PWs) bands (ev): -20.0657 -20.0657 -16.9814 -16.9814 -16.7303 -16.7303 -16.7302 -16.7302 -4.7370 -4.7370 -3.8714 -3.8714 -3.8703 -3.8703 -0.5447 -0.5447 -0.5410 -0.5410 0.4003 0.4003 0.6756 0.6756 0.6800 0.6800 1.0955 1.0955 1.5466 1.5466 1.5666 1.5666 2.1233 2.1233 2.1244 2.1244 2.1540 2.1540 2.1864 2.1864 2.2515 2.2515 2.2661 2.2661 5.5938 5.5938 12.0388 12.0388 12.0453 12.0453 12.0459 12.0459 k = 0.0328 0.0328 0.0328 ( 3665 PWs) bands (ev): -20.0654 -20.0654 -16.9805 -16.9805 -16.7303 -16.7303 -16.7301 -16.7301 -4.7369 -4.7369 -3.8716 -3.8716 -3.8698 -3.8698 -0.5574 -0.5574 -0.5509 -0.5509 0.3965 0.3965 0.6530 0.6530 0.6599 0.6599 1.0873 1.0873 1.5557 1.5557 1.5893 1.5893 2.1257 2.1257 2.1278 2.1278 2.1577 2.1577 2.1925 2.1925 2.2561 2.2561 2.2768 2.2768 5.6236 5.6236 12.0442 12.0442 12.0554 12.0554 12.0566 12.0566 k = 0.0410 0.0410 0.0410 ( 3665 PWs) bands (ev): -20.0651 -20.0651 -16.9792 -16.9792 -16.7303 -16.7303 -16.7300 -16.7300 -4.7368 -4.7368 -3.8720 -3.8720 -3.8692 -3.8692 -0.5735 -0.5735 -0.5637 -0.5637 0.3913 0.3913 0.6261 0.6261 0.6351 0.6351 1.0763 1.0763 1.5668 1.5668 1.6161 1.6161 2.1285 2.1285 2.1319 2.1319 2.1622 2.1622 2.1941 2.1941 2.2690 2.2690 2.2912 2.2912 5.6614 5.6614 12.0511 12.0511 12.0684 12.0684 12.0703 12.0703 k = 0.0492 0.0492 0.0492 ( 3653 PWs) bands (ev): -20.0647 -20.0647 -16.9777 -16.9777 -16.7304 -16.7304 -16.7299 -16.7299 -4.7367 -4.7367 -3.8724 -3.8724 -3.8684 -3.8684 -0.5928 -0.5928 -0.5791 -0.5791 0.3848 0.3848 0.5958 0.5958 0.6062 0.6062 1.0628 1.0628 1.5795 1.5795 1.6455 1.6455 2.1315 2.1315 2.1367 2.1367 2.1671 2.1671 2.1915 2.1915 2.2911 2.2911 2.3096 2.3096 5.7068 5.7068 12.0594 12.0594 12.0842 12.0842 12.0869 12.0869 k = 0.0574 0.0574 0.0574 ( 3644 PWs) bands (ev): -20.0643 -20.0643 -16.9759 -16.9759 -16.7304 -16.7304 -16.7298 -16.7298 -4.7367 -4.7367 -3.8730 -3.8730 -3.8675 -3.8675 -0.6150 -0.6150 -0.5972 -0.5972 0.3767 0.3767 0.5632 0.5632 0.5736 0.5736 1.0467 1.0467 1.5934 1.5934 1.6765 1.6765 2.1346 2.1346 2.1421 2.1421 2.1705 2.1705 2.1886 2.1886 2.3203 2.3203 2.3322 2.3322 5.7594 5.7594 12.0691 12.0691 12.1026 12.1026 12.1064 12.1064 k = 0.0656 0.0656 0.0656 ( 3644 PWs) bands (ev): -20.0638 -20.0638 -16.9738 -16.9738 -16.7304 -16.7304 -16.7296 -16.7296 -4.7366 -4.7366 -3.8736 -3.8736 -3.8665 -3.8665 -0.6400 -0.6400 -0.6178 -0.6178 0.3668 0.3668 0.5288 0.5288 0.5379 0.5379 1.0281 1.0281 1.6080 1.6080 1.7079 1.7079 2.1374 2.1374 2.1479 2.1479 2.1686 2.1686 2.1917 2.1917 2.3550 2.3550 2.3594 2.3594 5.8187 5.8187 12.0802 12.0802 12.1236 12.1236 12.1286 12.1286 k = 0.0738 0.0738 0.0738 ( 3641 PWs) bands (ev): -20.0632 -20.0632 -16.9715 -16.9715 -16.7305 -16.7305 -16.7294 -16.7294 -4.7365 -4.7365 -3.8744 -3.8744 -3.8654 -3.8654 -0.6675 -0.6675 -0.6409 -0.6409 0.3552 0.3552 0.4935 0.4935 0.4995 0.4995 1.0073 1.0073 1.6230 1.6230 1.7389 1.7389 2.1389 2.1389 2.1542 2.1542 2.1640 2.1640 2.2003 2.2003 2.3914 2.3914 2.3943 2.3943 5.8842 5.8842 12.0926 12.0926 12.1471 12.1471 12.1535 12.1535 k = 0.0820 0.0820 0.0820 ( 3629 PWs) bands (ev): -20.0626 -20.0626 -16.9689 -16.9689 -16.7305 -16.7305 -16.7292 -16.7292 -4.7365 -4.7365 -3.8753 -3.8753 -3.8643 -3.8643 -0.6972 -0.6972 -0.6662 -0.6662 0.3414 0.3414 0.4575 0.4575 0.4589 0.4589 0.9844 0.9844 1.6380 1.6380 1.7689 1.7689 2.1378 2.1378 2.1609 2.1609 2.1617 2.1617 2.2117 2.2117 2.4282 2.4282 2.4376 2.4376 5.9556 5.9556 12.1062 12.1062 12.1728 12.1728 12.1809 12.1809 k = 0.0902 0.0902 0.0902 ( 3623 PWs) bands (ev): -20.0619 -20.0619 -16.9660 -16.9660 -16.7306 -16.7306 -16.7290 -16.7290 -4.7365 -4.7365 -3.8763 -3.8763 -3.8631 -3.8631 -0.7290 -0.7290 -0.6936 -0.6936 0.3253 0.3253 0.4164 0.4164 0.4214 0.4214 0.9597 0.9597 1.6528 1.6528 1.7974 1.7974 2.1338 2.1338 2.1632 2.1632 2.1680 2.1680 2.2250 2.2250 2.4697 2.4697 2.4844 2.4844 6.0322 6.0322 12.1211 12.1211 12.2007 12.2007 12.2107 12.2107 k = 0.0984 0.0984 0.0984 ( 3617 PWs) bands (ev): -20.0612 -20.0612 -16.9629 -16.9629 -16.7306 -16.7306 -16.7288 -16.7288 -4.7366 -4.7366 -3.8775 -3.8775 -3.8620 -3.8620 -0.7625 -0.7625 -0.7231 -0.7231 0.3060 0.3060 0.3732 0.3732 0.3855 0.3855 0.9333 0.9333 1.6675 1.6675 1.8243 1.8243 2.1289 2.1289 2.1670 2.1670 2.1756 2.1756 2.2402 2.2402 2.5158 2.5158 2.5344 2.5344 6.1138 6.1138 12.1371 12.1371 12.2306 12.2306 12.2429 12.2429 k = 0.1066 0.1066 0.1066 ( 3617 PWs) bands (ev): -20.0604 -20.0604 -16.9595 -16.9595 -16.7307 -16.7307 -16.7286 -16.7286 -4.7368 -4.7368 -3.8788 -3.8788 -3.8608 -3.8608 -0.7976 -0.7976 -0.7545 -0.7545 0.2819 0.2819 0.3310 0.3310 0.3499 0.3499 0.9054 0.9054 1.6820 1.6820 1.8495 1.8495 2.1245 2.1245 2.1721 2.1721 2.1835 2.1835 2.2570 2.2570 2.5661 2.5661 2.5871 2.5871 6.1997 6.1997 12.1543 12.1543 12.2622 12.2622 12.2771 12.2771 k = 0.1148 0.1148 0.1148 ( 3623 PWs) bands (ev): -20.0596 -20.0596 -16.9558 -16.9558 -16.7307 -16.7307 -16.7283 -16.7283 -4.7371 -4.7371 -3.8803 -3.8803 -3.8597 -3.8597 -0.8340 -0.8340 -0.7875 -0.7875 0.2488 0.2488 0.2942 0.2942 0.3147 0.3147 0.8762 0.8762 1.6964 1.6964 1.8730 1.8730 2.1213 2.1213 2.1778 2.1778 2.1919 2.1919 2.2753 2.2753 2.6203 2.6203 2.6425 2.6425 6.2897 6.2897 12.1725 12.1725 12.2954 12.2954 12.3132 12.3132 k = 0.1230 0.1230 0.1230 ( 3629 PWs) bands (ev): -20.0587 -20.0587 -16.9519 -16.9519 -16.7308 -16.7308 -16.7280 -16.7280 -4.7374 -4.7374 -3.8820 -3.8820 -3.8586 -3.8586 -0.8715 -0.8715 -0.8220 -0.8220 0.2057 0.2057 0.2641 0.2641 0.2802 0.2802 0.8460 0.8460 1.7110 1.7110 1.8950 1.8950 2.1196 2.1196 2.1841 2.1841 2.2007 2.2007 2.2951 2.2951 2.6779 2.6779 2.7001 2.7001 6.3834 6.3834 12.1918 12.1918 12.3298 12.3298 12.3511 12.3511 k = 0.1311 0.1311 0.1311 ( 3629 PWs) bands (ev): -20.0579 -20.0579 -16.9478 -16.9478 -16.7309 -16.7309 -16.7278 -16.7278 -4.7379 -4.7379 -3.8838 -3.8838 -3.8576 -3.8576 -0.9100 -0.9100 -0.8578 -0.8578 0.1567 0.1567 0.2369 0.2369 0.2464 0.2464 0.8148 0.8148 1.7259 1.7259 1.9157 1.9157 2.1193 2.1193 2.1909 2.1909 2.2100 2.2100 2.3161 2.3161 2.7386 2.7386 2.7599 2.7599 6.4803 6.4803 12.2120 12.2120 12.3651 12.3651 12.3905 12.3905 k = 0.1393 0.1393 0.1393 ( 3629 PWs) bands (ev): -20.0569 -20.0569 -16.9434 -16.9434 -16.7309 -16.7309 -16.7274 -16.7274 -4.7385 -4.7385 -3.8859 -3.8859 -3.8568 -3.8568 -0.9491 -0.9491 -0.8948 -0.8948 0.1047 0.1047 0.2100 0.2100 0.2133 0.2133 0.7828 0.7828 1.7414 1.7414 1.9353 1.9353 2.1204 2.1204 2.1980 2.1980 2.2198 2.2198 2.3383 2.3383 2.8020 2.8020 2.8215 2.8215 6.5802 6.5802 12.2333 12.2333 12.4009 12.4009 12.4310 12.4310 k = 0.1475 0.1475 0.1475 ( 3626 PWs) bands (ev): -20.0560 -20.0560 -16.9388 -16.9388 -16.7310 -16.7310 -16.7271 -16.7271 -4.7393 -4.7393 -3.8881 -3.8881 -3.8561 -3.8561 -0.9888 -0.9888 -0.9328 -0.9328 0.0507 0.0507 0.1810 0.1810 0.1825 0.1825 0.7503 0.7503 1.7575 1.7575 1.9539 1.9539 2.1230 2.1230 2.2055 2.2055 2.2300 2.2300 2.3615 2.3615 2.8676 2.8676 2.8848 2.8848 6.6827 6.6827 12.2554 12.2554 12.4369 12.4369 12.4725 12.4725 k = 0.1557 0.1557 0.1557 ( 3620 PWs) bands (ev): -20.0550 -20.0550 -16.9339 -16.9339 -16.7311 -16.7311 -16.7268 -16.7268 -4.7403 -4.7403 -3.8906 -3.8906 -3.8556 -3.8556 -1.0289 -1.0289 -0.9715 -0.9715 -0.0046 -0.0046 0.1495 0.1495 0.1542 0.1542 0.7175 0.7175 1.7746 1.7746 1.9718 1.9718 2.1268 2.1268 2.2133 2.2133 2.2406 2.2406 2.3856 2.3856 2.9350 2.9350 2.9496 2.9496 6.7876 6.7876 12.2784 12.2784 12.4724 12.4724 12.5145 12.5145 k = 0.1639 0.1639 0.1639 ( 3620 PWs) bands (ev): -20.0540 -20.0540 -16.9289 -16.9289 -16.7311 -16.7311 -16.7264 -16.7264 -4.7414 -4.7414 -3.8933 -3.8933 -3.8554 -3.8554 -1.0691 -1.0691 -1.0109 -1.0109 -0.0610 -0.0610 0.1189 0.1189 0.1252 0.1252 0.6844 0.6844 1.7926 1.7926 1.9891 1.9891 2.1318 2.1318 2.2215 2.2215 2.2516 2.2516 2.4104 2.4104 3.0041 3.0041 3.0157 3.0157 6.8945 6.8945 12.3023 12.3023 12.5070 12.5070 12.5565 12.5565 k = 0.1721 0.1721 0.1721 ( 3620 PWs) bands (ev): -20.0530 -20.0530 -16.9236 -16.9236 -16.7312 -16.7312 -16.7261 -16.7261 -4.7427 -4.7427 -3.8962 -3.8962 -3.8554 -3.8554 -1.1095 -1.1095 -1.0508 -1.0508 -0.1183 -0.1183 0.0890 0.0890 0.0955 0.0955 0.6513 0.6513 1.8117 1.8117 2.0059 2.0059 2.1378 2.1378 2.2299 2.2299 2.2630 2.2630 2.4357 2.4357 3.0745 3.0745 3.0830 3.0830 7.0031 7.0031 12.3270 12.3270 12.5397 12.5397 12.5982 12.5982 k = 0.1803 0.1803 0.1803 ( 3611 PWs) bands (ev): -20.0520 -20.0520 -16.9182 -16.9182 -16.7312 -16.7312 -16.7257 -16.7257 -4.7442 -4.7442 -3.8993 -3.8993 -3.8558 -3.8558 -1.1499 -1.1499 -1.0909 -1.0909 -0.1761 -0.1761 0.0600 0.0600 0.0653 0.0653 0.6184 0.6184 1.8318 1.8318 2.0224 2.0224 2.1449 2.1449 2.2385 2.2385 2.2747 2.2747 2.4615 2.4615 3.1459 3.1459 3.1512 3.1512 7.1133 7.1133 12.3524 12.3524 12.5700 12.5700 12.6389 12.6389 k = 0.1885 0.1885 0.1885 ( 3623 PWs) bands (ev): -20.0510 -20.0510 -16.9125 -16.9125 -16.7313 -16.7313 -16.7253 -16.7253 -4.7459 -4.7459 -3.9027 -3.9027 -3.8565 -3.8565 -1.1901 -1.1901 -1.1313 -1.1313 -0.2345 -0.2345 0.0317 0.0317 0.0349 0.0349 0.5857 0.5857 1.8529 1.8529 2.0387 2.0387 2.1529 2.1529 2.2474 2.2474 2.2868 2.2868 2.4876 2.4876 3.2182 3.2182 3.2202 3.2202 7.2248 7.2248 12.3783 12.3783 12.5968 12.5968 12.6779 12.6779 k = 0.1967 0.1967 0.1967 ( 3623 PWs) bands (ev): -20.0500 -20.0500 -16.9067 -16.9067 -16.7314 -16.7314 -16.7249 -16.7249 -4.7479 -4.7479 -3.9064 -3.9064 -3.8576 -3.8576 -1.2300 -1.2300 -1.1717 -1.1717 -0.2931 -0.2931 0.0043 0.0043 0.0043 0.0043 0.5534 0.5534 1.8749 1.8749 2.0548 2.0548 2.1618 2.1618 2.2565 2.2565 2.2992 2.2992 2.5139 2.5139 3.2899 3.2899 3.2910 3.2910 7.3373 7.3373 12.4046 12.4046 12.6191 12.6191 12.7142 12.7142 k = 0.2049 0.2049 0.2049 ( 3620 PWs) bands (ev): -20.0489 -20.0489 -16.9007 -16.9007 -16.7314 -16.7314 -16.7245 -16.7245 -4.7501 -4.7501 -3.9103 -3.9103 -3.8591 -3.8591 -1.2695 -1.2695 -1.2120 -1.2120 -0.3519 -0.3519 -0.0262 -0.0262 -0.0223 -0.0223 0.5217 0.5217 1.8979 1.8979 2.0709 2.0709 2.1714 2.1714 2.2658 2.2658 2.3118 2.3118 2.5403 2.5403 3.3602 3.3602 3.3643 3.3643 7.4506 7.4506 12.4309 12.4309 12.6362 12.6362 12.7470 12.7470 k = 0.2131 0.2131 0.2131 ( 3602 PWs) bands (ev): -20.0479 -20.0479 -16.8946 -16.8946 -16.7314 -16.7314 -16.7240 -16.7240 -4.7525 -4.7525 -3.9144 -3.9144 -3.8610 -3.8610 -1.3085 -1.3085 -1.2521 -1.2521 -0.4106 -0.4106 -0.0564 -0.0564 -0.0481 -0.0481 0.4907 0.4907 1.9217 1.9217 2.0869 2.0869 2.1819 2.1819 2.2753 2.2753 2.3246 2.3246 2.5668 2.5668 3.4308 3.4308 3.4379 3.4379 7.5646 7.5646 12.4565 12.4565 12.6475 12.6475 12.7750 12.7750 k = 0.2213 0.2213 0.2213 ( 3602 PWs) bands (ev): -20.0469 -20.0469 -16.8883 -16.8883 -16.7315 -16.7315 -16.7236 -16.7236 -4.7552 -4.7552 -3.9187 -3.9187 -3.8635 -3.8635 -1.3471 -1.3471 -1.2919 -1.2919 -0.4692 -0.4692 -0.0861 -0.0861 -0.0731 -0.0731 0.4603 0.4603 1.9461 1.9461 2.1030 2.1030 2.1930 2.1930 2.2849 2.2849 2.3376 2.3376 2.5932 2.5932 3.5018 3.5018 3.5116 3.5116 7.6790 7.6790 12.4802 12.4802 12.6532 12.6532 12.7971 12.7971 k = 0.2295 0.2295 0.2295 ( 3596 PWs) bands (ev): -20.0459 -20.0459 -16.8819 -16.8819 -16.7315 -16.7315 -16.7232 -16.7232 -4.7581 -4.7581 -3.9233 -3.9233 -3.8664 -3.8664 -1.3850 -1.3850 -1.3313 -1.3313 -0.5275 -0.5275 -0.1152 -0.1152 -0.0972 -0.0972 0.4308 0.4308 1.9711 1.9711 2.1191 2.1191 2.2049 2.2049 2.2946 2.2946 2.3507 2.3507 2.6194 2.6194 3.5729 3.5729 3.5852 3.5852 7.7935 7.7935 12.4993 12.4993 12.6550 12.6550 12.8119 12.8119 k = 0.2377 0.2377 0.2377 ( 3596 PWs) bands (ev): -20.0449 -20.0449 -16.8754 -16.8754 -16.7315 -16.7315 -16.7227 -16.7227 -4.7613 -4.7613 -3.9281 -3.9281 -3.8699 -3.8699 -1.4222 -1.4222 -1.3702 -1.3702 -0.5853 -0.5853 -0.1436 -0.1436 -0.1206 -0.1206 0.4021 0.4021 1.9964 1.9964 2.1353 2.1353 2.2174 2.2174 2.3044 2.3044 2.3639 2.3639 2.6455 2.6455 3.6440 3.6440 3.6587 3.6587 7.9081 7.9081 12.5095 12.5095 12.6571 12.6571 12.8183 12.8183 k = 0.2459 0.2459 0.2459 ( 3596 PWs) bands (ev): -20.0440 -20.0440 -16.8688 -16.8688 -16.7315 -16.7315 -16.7223 -16.7223 -4.7647 -4.7647 -3.9332 -3.9332 -3.8739 -3.8739 -1.4586 -1.4586 -1.4086 -1.4086 -0.6426 -0.6426 -0.1710 -0.1710 -0.1432 -0.1432 0.3744 0.3744 2.0221 2.0221 2.1516 2.1516 2.2306 2.2306 2.3144 2.3144 2.3771 2.3771 2.6713 2.6713 3.7150 3.7150 3.7318 3.7318 8.0226 8.0226 12.5051 12.5051 12.6652 12.6652 12.8155 12.8155 k = 0.2541 0.2541 0.2541 ( 3596 PWs) bands (ev): -20.0430 -20.0430 -16.8622 -16.8622 -16.7315 -16.7315 -16.7218 -16.7218 -4.7683 -4.7683 -3.9384 -3.9384 -3.8784 -3.8784 -1.4943 -1.4943 -1.4462 -1.4462 -0.6991 -0.6991 -0.1975 -0.1975 -0.1650 -0.1650 0.3477 0.3477 2.0479 2.0479 2.1680 2.1680 2.2443 2.2443 2.3244 2.3244 2.3904 2.3904 2.6968 2.6968 3.7858 3.7858 3.8044 3.8044 8.1367 8.1367 12.4841 12.4841 12.6816 12.6816 12.8032 12.8032 k = 0.2623 0.2623 0.2623 ( 3593 PWs) bands (ev): -20.0421 -20.0421 -16.8555 -16.8555 -16.7315 -16.7315 -16.7213 -16.7213 -4.7722 -4.7722 -3.9438 -3.9438 -3.8835 -3.8835 -1.5291 -1.5291 -1.4831 -1.4831 -0.7548 -0.7548 -0.2227 -0.2227 -0.1860 -0.1860 0.3220 0.3220 2.0737 2.0737 2.1845 2.1845 2.2586 2.2586 2.3344 2.3344 2.4036 2.4036 2.7219 2.7219 3.8563 3.8563 3.8765 3.8765 8.2503 8.2503 12.4493 12.4493 12.7041 12.7041 12.7816 12.7816 k = 0.2705 0.2705 0.2705 ( 3593 PWs) bands (ev): -20.0412 -20.0412 -16.8488 -16.8488 -16.7315 -16.7315 -16.7209 -16.7209 -4.7763 -4.7763 -3.9494 -3.9494 -3.8891 -3.8891 -1.5629 -1.5629 -1.5192 -1.5192 -0.8096 -0.8096 -0.2468 -0.2468 -0.2062 -0.2062 0.2972 0.2972 2.0994 2.0994 2.2011 2.2011 2.2734 2.2734 2.3445 2.3445 2.4168 2.4168 2.7465 2.7465 3.9263 3.9263 3.9479 3.9479 8.3632 8.3632 12.4042 12.4042 12.7297 12.7297 12.7513 12.7513 k = 0.2787 0.2787 0.2787 ( 3593 PWs) bands (ev): -20.0403 -20.0403 -16.8420 -16.8420 -16.7314 -16.7314 -16.7204 -16.7204 -4.7806 -4.7806 -3.9552 -3.9552 -3.8952 -3.8952 -1.5959 -1.5959 -1.5545 -1.5545 -0.8634 -0.8634 -0.2695 -0.2695 -0.2256 -0.2256 0.2736 0.2736 2.1248 2.1248 2.2177 2.2177 2.2888 2.2888 2.3545 2.3545 2.4298 2.4298 2.7708 2.7708 3.9958 3.9958 4.0185 4.0185 8.4753 8.4753 12.3517 12.3517 12.7132 12.7132 12.7562 12.7562 k = 0.2869 0.2869 0.2869 ( 3602 PWs) bands (ev): -20.0394 -20.0394 -16.8353 -16.8353 -16.7314 -16.7314 -16.7200 -16.7200 -4.7852 -4.7852 -3.9611 -3.9611 -3.9018 -3.9018 -1.6278 -1.6278 -1.5888 -1.5888 -0.9160 -0.9160 -0.2909 -0.2909 -0.2442 -0.2442 0.2510 0.2510 2.1498 2.1498 2.2344 2.2344 2.3045 2.3045 2.3646 2.3646 2.4427 2.4427 2.7945 2.7945 4.0645 4.0645 4.0881 4.0881 8.5864 8.5864 12.2937 12.2937 12.6687 12.6687 12.7820 12.7820 k = 0.2951 0.2951 0.2951 ( 3605 PWs) bands (ev): -20.0386 -20.0386 -16.8286 -16.8286 -16.7313 -16.7313 -16.7195 -16.7195 -4.7898 -4.7898 -3.9671 -3.9671 -3.9089 -3.9089 -1.6588 -1.6588 -1.6221 -1.6221 -0.9674 -0.9674 -0.3108 -0.3108 -0.2620 -0.2620 0.2295 0.2295 2.1743 2.1743 2.2510 2.2510 2.3207 2.3207 2.3748 2.3748 2.4555 2.4555 2.8176 2.8176 4.1324 4.1324 4.1566 4.1566 8.6964 8.6964 12.2315 12.2315 12.6188 12.6188 12.8056 12.8056 k = 0.3033 0.3033 0.3033 ( 3605 PWs) bands (ev): -20.0378 -20.0378 -16.8220 -16.8220 -16.7312 -16.7312 -16.7191 -16.7191 -4.7947 -4.7947 -3.9731 -3.9731 -3.9165 -3.9165 -1.6887 -1.6887 -1.6544 -1.6544 -1.0174 -1.0174 -0.3293 -0.3293 -0.2790 -0.2790 0.2091 0.2091 2.1982 2.1982 2.2676 2.2676 2.3370 2.3370 2.3849 2.3849 2.4680 2.4680 2.8402 2.8402 4.1994 4.1994 4.2239 4.2239 8.8051 8.8051 12.1662 12.1662 12.5648 12.5648 12.8258 12.8258 k = 0.3115 0.3115 0.3115 ( 3599 PWs) bands (ev): -20.0371 -20.0371 -16.8154 -16.8154 -16.7311 -16.7311 -16.7186 -16.7186 -4.7997 -4.7997 -3.9793 -3.9793 -3.9244 -3.9244 -1.7175 -1.7175 -1.6857 -1.6857 -1.0660 -1.0660 -0.3464 -0.3464 -0.2952 -0.2952 0.1899 0.1899 2.2214 2.2214 2.2842 2.2842 2.3535 2.3535 2.3953 2.3953 2.4803 2.4803 2.8622 2.8622 4.2653 4.2653 4.2899 4.2899 8.9125 8.9125 12.0988 12.0988 12.5076 12.5076 12.8408 12.8408 k = 0.3197 0.3197 0.3197 ( 3599 PWs) bands (ev): -20.0363 -20.0363 -16.8090 -16.8090 -16.7309 -16.7309 -16.7182 -16.7182 -4.8048 -4.8048 -3.9855 -3.9855 -3.9327 -3.9327 -1.7452 -1.7452 -1.7158 -1.7158 -1.1130 -1.1130 -0.3620 -0.3620 -0.3106 -0.3106 0.1716 0.1716 2.2438 2.2438 2.3006 2.3006 2.3699 2.3699 2.4059 2.4059 2.4923 2.4923 2.8835 2.8835 4.3300 4.3300 4.3545 4.3545 9.0185 9.0185 12.0301 12.0301 12.4481 12.4481 12.8492 12.8492 k = 0.3279 0.3279 0.3279 ( 3602 PWs) bands (ev): -20.0356 -20.0356 -16.8027 -16.8027 -16.7307 -16.7307 -16.7177 -16.7177 -4.8099 -4.8099 -3.9917 -3.9917 -3.9413 -3.9413 -1.7718 -1.7718 -1.7449 -1.7449 -1.1585 -1.1585 -0.3762 -0.3762 -0.3253 -0.3253 0.1545 0.1545 2.2653 2.2653 2.3168 2.3168 2.3857 2.3857 2.4170 2.4170 2.5041 2.5041 2.9041 2.9041 4.3934 4.3934 4.4175 4.4175 9.1229 9.1229 11.9606 11.9606 12.3871 12.3871 12.8491 12.8491 k = 0.3361 0.3361 0.3361 ( 3596 PWs) bands (ev): -20.0350 -20.0350 -16.7965 -16.7965 -16.7305 -16.7305 -16.7173 -16.7173 -4.8152 -4.8152 -3.9978 -3.9978 -3.9501 -3.9501 -1.7974 -1.7974 -1.7727 -1.7727 -1.2023 -1.2023 -0.3891 -0.3891 -0.3392 -0.3392 0.1385 0.1385 2.2859 2.2859 2.3329 2.3329 2.4005 2.4005 2.4292 2.4292 2.5155 2.5155 2.9239 2.9239 4.4553 4.4553 4.4789 4.4789 9.2258 9.2258 11.8909 11.8909 12.3254 12.3254 12.8388 12.8388 k = 0.3443 0.3443 0.3443 ( 3596 PWs) bands (ev): -20.0343 -20.0343 -16.7905 -16.7905 -16.7302 -16.7302 -16.7169 -16.7169 -4.8205 -4.8205 -4.0039 -4.0039 -3.9590 -3.9590 -1.8217 -1.8217 -1.7994 -1.7994 -1.2444 -1.2444 -0.4007 -0.4007 -0.3523 -0.3523 0.1235 0.1235 2.3057 2.3057 2.3486 2.3486 2.4137 2.4137 2.4427 2.4427 2.5265 2.5265 2.9431 2.9431 4.5155 4.5155 4.5384 4.5384 9.3270 9.3270 11.8216 11.8216 12.2635 12.2635 12.8170 12.8170 k = 0.3525 0.3525 0.3525 ( 3593 PWs) bands (ev): -20.0337 -20.0337 -16.7848 -16.7848 -16.7299 -16.7299 -16.7165 -16.7165 -4.8257 -4.8257 -4.0100 -4.0100 -3.9681 -3.9681 -1.8449 -1.8449 -1.8248 -1.8248 -1.2847 -1.2847 -0.4110 -0.4110 -0.3647 -0.3647 0.1096 0.1096 2.3244 2.3244 2.3640 2.3640 2.4253 2.4253 2.4574 2.4574 2.5372 2.5372 2.9614 2.9614 4.5740 4.5740 4.5959 4.5959 9.4265 9.4265 11.7530 11.7530 12.2020 12.2020 12.7828 12.7828 k = 0.3607 0.3607 0.3607 ( 3593 PWs) bands (ev): -20.0332 -20.0332 -16.7793 -16.7793 -16.7295 -16.7295 -16.7161 -16.7161 -4.8310 -4.8310 -4.0159 -4.0159 -3.9772 -3.9772 -1.8670 -1.8670 -1.8489 -1.8489 -1.3231 -1.3231 -0.4201 -0.4201 -0.3763 -0.3763 0.0967 0.0967 2.3423 2.3423 2.3790 2.3790 2.4355 2.4355 2.4731 2.4731 2.5475 2.5475 2.9789 2.9789 4.6306 4.6306 4.6514 4.6514 9.5242 9.5242 11.6856 11.6856 12.1414 12.1414 12.7363 12.7363 k = 0.3689 0.3689 0.3689 ( 3605 PWs) bands (ev): -20.0327 -20.0327 -16.7741 -16.7741 -16.7290 -16.7290 -16.7157 -16.7157 -4.8362 -4.8362 -4.0217 -4.0217 -3.9862 -3.9862 -1.8879 -1.8879 -1.8718 -1.8718 -1.3596 -1.3596 -0.4281 -0.4281 -0.3872 -0.3872 0.0848 0.0848 2.3591 2.3591 2.3935 2.3935 2.4446 2.4446 2.4891 2.4891 2.5573 2.5573 2.9956 2.9956 4.6852 4.6852 4.7046 4.7046 9.6202 9.6202 11.6198 11.6198 12.0821 12.0821 12.6783 12.6783 k = 0.3770 0.3770 0.3770 ( 3608 PWs) bands (ev): -20.0322 -20.0322 -16.7692 -16.7692 -16.7284 -16.7284 -16.7153 -16.7153 -4.8413 -4.8413 -4.0273 -4.0273 -3.9952 -3.9952 -1.9075 -1.9075 -1.8934 -1.8934 -1.3942 -1.3942 -0.4351 -0.4351 -0.3973 -0.3973 0.0740 0.0740 2.3750 2.3750 2.4074 2.4074 2.4530 2.4530 2.5051 2.5051 2.5667 2.5667 3.0114 3.0114 4.7375 4.7375 4.7555 4.7555 9.7146 9.7146 11.5559 11.5559 12.0244 12.0244 12.6103 12.6103 k = 0.3852 0.3852 0.3852 ( 3602 PWs) bands (ev): -20.0317 -20.0317 -16.7647 -16.7647 -16.7277 -16.7277 -16.7150 -16.7150 -4.8462 -4.8462 -4.0327 -4.0327 -4.0039 -4.0039 -1.9260 -1.9260 -1.9137 -1.9137 -1.4267 -1.4267 -0.4412 -0.4412 -0.4068 -0.4068 0.0640 0.0640 2.3900 2.3900 2.4209 2.4209 2.4608 2.4608 2.5208 2.5208 2.5757 2.5757 3.0263 3.0263 4.7874 4.7874 4.8040 4.8040 9.8071 9.8071 11.4942 11.4942 11.9688 11.9688 12.5342 12.5342 k = 0.3934 0.3934 0.3934 ( 3602 PWs) bands (ev): -20.0313 -20.0313 -16.7606 -16.7606 -16.7269 -16.7269 -16.7147 -16.7147 -4.8510 -4.8510 -4.0379 -4.0379 -4.0124 -4.0124 -1.9432 -1.9432 -1.9326 -1.9326 -1.4572 -1.4572 -0.4464 -0.4464 -0.4155 -0.4155 0.0550 0.0550 2.4040 2.4040 2.4336 2.4336 2.4681 2.4681 2.5359 2.5359 2.5841 2.5841 3.0403 3.0403 4.8348 4.8348 4.8498 4.8498 9.8980 9.8980 11.4350 11.4350 11.9156 11.9156 12.4520 12.4520 k = 0.4016 0.4016 0.4016 ( 3596 PWs) bands (ev): -20.0309 -20.0309 -16.7570 -16.7570 -16.7258 -16.7258 -16.7144 -16.7144 -4.8556 -4.8556 -4.0428 -4.0428 -4.0206 -4.0206 -1.9592 -1.9592 -1.9502 -1.9502 -1.4855 -1.4855 -0.4508 -0.4508 -0.4235 -0.4235 0.0469 0.0469 2.4170 2.4170 2.4457 2.4457 2.4750 2.4750 2.5503 2.5503 2.5920 2.5920 3.0533 3.0533 4.8795 4.8795 4.8929 4.8929 9.9873 9.9873 11.3786 11.3786 11.8650 11.8650 12.3654 12.3654 k = 0.4098 0.4098 0.4098 ( 3596 PWs) bands (ev): -20.0305 -20.0305 -16.7538 -16.7538 -16.7247 -16.7247 -16.7141 -16.7141 -4.8600 -4.8600 -4.0474 -4.0474 -4.0284 -4.0284 -1.9740 -1.9740 -1.9664 -1.9664 -1.5118 -1.5118 -0.4545 -0.4545 -0.4309 -0.4309 0.0396 0.0396 2.4289 2.4289 2.4570 2.4570 2.4814 2.4814 2.5639 2.5639 2.5995 2.5995 3.0654 3.0654 4.9214 4.9214 4.9331 4.9331 10.0748 10.0748 11.3251 11.3251 11.8174 11.8174 12.2763 12.2763 k = 0.4180 0.4180 0.4180 ( 3590 PWs) bands (ev): -20.0302 -20.0302 -16.7511 -16.7511 -16.7233 -16.7233 -16.7138 -16.7138 -4.8641 -4.8641 -4.0517 -4.0517 -4.0357 -4.0357 -1.9875 -1.9875 -1.9813 -1.9813 -1.5358 -1.5358 -0.4576 -0.4576 -0.4376 -0.4376 0.0332 0.0332 2.4398 2.4398 2.4675 2.4675 2.4874 2.4874 2.5767 2.5767 2.6063 2.6063 3.0766 3.0766 4.9603 4.9603 4.9703 4.9703 10.1607 10.1607 11.2747 11.2747 11.7730 11.7730 12.1861 12.1861 k = 0.4262 0.4262 0.4262 ( 3572 PWs) bands (ev): -20.0299 -20.0299 -16.7488 -16.7488 -16.7219 -16.7219 -16.7135 -16.7135 -4.8679 -4.8679 -4.0557 -4.0557 -4.0425 -4.0425 -1.9998 -1.9998 -1.9947 -1.9947 -1.5577 -1.5577 -0.4602 -0.4602 -0.4436 -0.4436 0.0275 0.0275 2.4497 2.4497 2.4771 2.4771 2.4929 2.4929 2.5884 2.5884 2.6126 2.6126 3.0867 3.0867 4.9960 4.9960 5.0044 5.0044 10.2449 10.2449 11.2275 11.2275 11.7321 11.7321 12.0961 12.0961 k = 0.4344 0.4344 0.4344 ( 3572 PWs) bands (ev): -20.0296 -20.0296 -16.7470 -16.7470 -16.7203 -16.7203 -16.7133 -16.7133 -4.8714 -4.8714 -4.0593 -4.0593 -4.0487 -4.0487 -2.0108 -2.0108 -2.0068 -2.0068 -1.5773 -1.5773 -0.4624 -0.4624 -0.4489 -0.4489 0.0226 0.0226 2.4585 2.4585 2.4859 2.4859 2.4981 2.4981 2.5990 2.5990 2.6183 2.6183 3.0958 3.0958 5.0284 5.0284 5.0352 5.0352 10.3274 10.3274 11.1836 11.1836 11.6949 11.6949 12.0075 12.0075 k = 0.4426 0.4426 0.4426 ( 3572 PWs) bands (ev): -20.0294 -20.0294 -16.7456 -16.7456 -16.7188 -16.7188 -16.7131 -16.7131 -4.8746 -4.8746 -4.0626 -4.0626 -4.0544 -4.0544 -2.0205 -2.0205 -2.0175 -2.0175 -1.5947 -1.5947 -0.4641 -0.4641 -0.4536 -0.4536 0.0184 0.0184 2.4661 2.4661 2.4937 2.4937 2.5028 2.5028 2.6085 2.6085 2.6234 2.6234 3.1038 3.1038 5.0573 5.0573 5.0627 5.0627 10.4079 10.4079 11.1429 11.1429 11.6616 11.6616 11.9216 11.9216 k = 0.4508 0.4508 0.4508 ( 3584 PWs) bands (ev): -20.0292 -20.0292 -16.7445 -16.7445 -16.7173 -16.7173 -16.7130 -16.7130 -4.8773 -4.8773 -4.0654 -4.0654 -4.0593 -4.0593 -2.0290 -2.0290 -2.0268 -2.0268 -1.6098 -1.6098 -0.4655 -0.4655 -0.4577 -0.4577 0.0147 0.0147 2.4727 2.4727 2.5005 2.5005 2.5070 2.5070 2.6168 2.6168 2.6278 2.6278 3.1109 3.1109 5.0827 5.0827 5.0868 5.0868 10.4863 10.4863 11.1051 11.1051 11.6323 11.6323 11.8395 11.8395 k = 0.4590 0.4590 0.4590 ( 3584 PWs) bands (ev): -20.0291 -20.0291 -16.7436 -16.7436 -16.7159 -16.7159 -16.7128 -16.7128 -4.8797 -4.8797 -4.0679 -4.0679 -4.0636 -4.0636 -2.0362 -2.0362 -2.0346 -2.0346 -1.6226 -1.6226 -0.4666 -0.4666 -0.4611 -0.4611 0.0118 0.0118 2.4781 2.4781 2.5063 2.5063 2.5107 2.5107 2.6239 2.6239 2.6316 2.6316 3.1168 3.1168 5.1044 5.1044 5.1073 5.1073 10.5621 10.5621 11.0697 11.0697 11.6073 11.6073 11.7630 11.7630 k = 0.4672 0.4672 0.4672 ( 3581 PWs) bands (ev): -20.0289 -20.0289 -16.7429 -16.7429 -16.7147 -16.7147 -16.7127 -16.7127 -4.8817 -4.8817 -4.0699 -4.0699 -4.0671 -4.0671 -2.0420 -2.0420 -2.0411 -2.0411 -1.6331 -1.6331 -0.4675 -0.4675 -0.4639 -0.4639 0.0094 0.0094 2.4825 2.4825 2.5111 2.5111 2.5138 2.5138 2.6298 2.6298 2.6347 2.6347 3.1217 3.1217 5.1223 5.1223 5.1242 5.1242 10.6346 10.6346 11.0360 11.0360 11.5866 11.5866 11.6940 11.6940 k = 0.4754 0.4754 0.4754 ( 3575 PWs) bands (ev): -20.0288 -20.0288 -16.7425 -16.7425 -16.7138 -16.7138 -16.7126 -16.7126 -4.8833 -4.8833 -4.0715 -4.0715 -4.0699 -4.0699 -2.0466 -2.0466 -2.0460 -2.0460 -1.6413 -1.6413 -0.4681 -0.4681 -0.4660 -0.4660 0.0076 0.0076 2.4859 2.4859 2.5149 2.5149 2.5164 2.5164 2.6344 2.6344 2.6372 2.6372 3.1255 3.1255 5.1364 5.1364 5.1374 5.1374 10.7031 10.7031 11.0026 11.0026 11.5705 11.5705 11.6349 11.6349 k = 0.4836 0.4836 0.4836 ( 3554 PWs) bands (ev): -20.0287 -20.0287 -16.7421 -16.7421 -16.7130 -16.7130 -16.7125 -16.7125 -4.8844 -4.8844 -4.0726 -4.0726 -4.0719 -4.0719 -2.0498 -2.0498 -2.0496 -2.0496 -1.6471 -1.6471 -0.4685 -0.4685 -0.4676 -0.4676 0.0063 0.0063 2.4883 2.4883 2.5176 2.5176 2.5182 2.5182 2.6377 2.6377 2.6389 2.6389 3.1283 3.1283 5.1464 5.1464 5.1469 5.1469 10.7661 10.7661 10.9681 10.9681 11.5588 11.5588 11.5890 11.5890 k = 0.4918 0.4918 0.4918 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7126 -16.7126 -16.7125 -16.7125 -4.8851 -4.8851 -4.0733 -4.0733 -4.0731 -4.0731 -2.0518 -2.0518 -2.0517 -2.0517 -1.6506 -1.6506 -0.4687 -0.4687 -0.4685 -0.4685 0.0056 0.0056 2.4897 2.4897 2.5192 2.5192 2.5194 2.5194 2.6397 2.6397 2.6400 2.6400 3.1299 3.1299 5.1525 5.1525 5.1526 5.1526 10.8211 10.8211 10.9321 10.9321 11.5518 11.5518 11.5596 11.5596 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7124 -16.7124 -16.7124 -16.7124 -4.8853 -4.8853 -4.0735 -4.0735 -4.0735 -4.0735 -2.0524 -2.0524 -2.0524 -2.0524 -1.6518 -1.6518 -0.4688 -0.4688 -0.4688 -0.4688 0.0053 0.0053 2.4902 2.4902 2.5197 2.5197 2.5197 2.5197 2.6404 2.6404 2.6404 2.6404 3.1304 3.1304 5.1545 5.1545 5.1545 5.1545 10.8526 10.8526 10.9072 10.9072 11.5495 11.5495 11.5495 11.5495 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7124 -16.7124 -16.7124 -16.7124 -4.8853 -4.8853 -4.0735 -4.0735 -4.0735 -4.0735 -2.0524 -2.0524 -2.0524 -2.0524 -1.6518 -1.6518 -0.4688 -0.4688 -0.4688 -0.4688 0.0053 0.0053 2.4902 2.4902 2.5197 2.5197 2.5197 2.5197 2.6404 2.6404 2.6404 2.6404 3.1304 3.1304 5.1545 5.1545 5.1545 5.1545 10.8526 10.8526 10.9072 10.9072 11.5495 11.5495 11.5495 11.5495 k = 0.4900 0.5000 0.4900 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7126 -16.7126 -16.7125 -16.7125 -4.8851 -4.8851 -4.0733 -4.0733 -4.0731 -4.0731 -2.0521 -2.0521 -2.0514 -2.0514 -1.6506 -1.6506 -0.4688 -0.4688 -0.4684 -0.4684 0.0056 0.0056 2.4897 2.4897 2.5192 2.5192 2.5194 2.5194 2.6397 2.6397 2.6400 2.6400 3.1299 3.1299 5.1516 5.1516 5.1535 5.1535 10.8213 10.8213 10.9320 10.9320 11.5517 11.5517 11.5596 11.5596 k = 0.4800 0.5000 0.4800 ( 3560 PWs) bands (ev): -20.0287 -20.0287 -16.7421 -16.7421 -16.7130 -16.7130 -16.7125 -16.7125 -4.8844 -4.8844 -4.0727 -4.0727 -4.0719 -4.0719 -2.0512 -2.0512 -2.0483 -2.0483 -1.6471 -1.6471 -0.4688 -0.4688 -0.4673 -0.4673 0.0063 0.0063 2.4883 2.4883 2.5175 2.5175 2.5183 2.5183 2.6378 2.6378 2.6389 2.6389 3.1283 3.1283 5.1429 5.1429 5.1506 5.1506 10.7668 10.7668 10.9677 10.9677 11.5585 11.5585 11.5890 11.5890 k = 0.4700 0.5000 0.4700 ( 3568 PWs) bands (ev): -20.0288 -20.0288 -16.7425 -16.7425 -16.7138 -16.7138 -16.7126 -16.7126 -4.8833 -4.8833 -4.0716 -4.0716 -4.0699 -4.0699 -2.0496 -2.0496 -2.0432 -2.0432 -1.6413 -1.6413 -0.4687 -0.4687 -0.4654 -0.4654 0.0076 0.0076 2.4858 2.4858 2.5147 2.5147 2.5166 2.5166 2.6346 2.6346 2.6370 2.6370 3.1256 3.1256 5.1284 5.1284 5.1457 5.1457 10.7046 10.7046 11.0016 11.0016 11.5696 11.5696 11.6349 11.6349 k = 0.4600 0.5000 0.4600 ( 3580 PWs) bands (ev): -20.0289 -20.0289 -16.7429 -16.7429 -16.7147 -16.7147 -16.7127 -16.7127 -4.8818 -4.8818 -4.0700 -4.0700 -4.0671 -4.0671 -2.0475 -2.0475 -2.0360 -2.0360 -1.6330 -1.6330 -0.4686 -0.4686 -0.4628 -0.4628 0.0094 0.0094 2.4823 2.4823 2.5109 2.5109 2.5143 2.5143 2.6303 2.6303 2.6345 2.6345 3.1218 3.1218 5.1082 5.1082 5.1388 5.1388 10.6374 10.6374 11.0341 11.0341 11.5851 11.5851 11.6941 11.6941 k = 0.4500 0.5000 0.4500 ( 3584 PWs) bands (ev): -20.0290 -20.0290 -16.7436 -16.7436 -16.7159 -16.7159 -16.7128 -16.7128 -4.8798 -4.8798 -4.0681 -4.0681 -4.0635 -4.0635 -2.0449 -2.0449 -2.0268 -2.0268 -1.6223 -1.6223 -0.4685 -0.4685 -0.4594 -0.4594 0.0117 0.0117 2.4776 2.4776 2.5061 2.5061 2.5114 2.5114 2.6247 2.6247 2.6313 2.6313 3.1170 3.1170 5.0825 5.0825 5.1299 5.1299 10.5668 10.5668 11.0665 11.0665 11.6048 11.6048 11.7636 11.7636 k = 0.4400 0.5000 0.4400 ( 3584 PWs) bands (ev): -20.0292 -20.0292 -16.7444 -16.7444 -16.7173 -16.7173 -16.7129 -16.7129 -4.8774 -4.8774 -4.0657 -4.0657 -4.0592 -4.0592 -2.0420 -2.0420 -2.0155 -2.0155 -1.6090 -1.6090 -0.4683 -0.4683 -0.4552 -0.4552 0.0147 0.0147 2.4716 2.4716 2.5003 2.5003 2.5079 2.5079 2.6181 2.6181 2.6276 2.6276 3.1112 3.1112 5.0513 5.0513 5.1190 5.1190 10.4937 10.4937 11.1000 11.1000 11.6284 11.6284 11.8408 11.8408 k = 0.4300 0.5000 0.4300 ( 3576 PWs) bands (ev): -20.0294 -20.0294 -16.7455 -16.7455 -16.7188 -16.7188 -16.7131 -16.7131 -4.8746 -4.8746 -4.0630 -4.0630 -4.0542 -4.0542 -2.0387 -2.0387 -2.0022 -2.0022 -1.5930 -1.5930 -0.4679 -0.4679 -0.4502 -0.4502 0.0182 0.0182 2.4642 2.4642 2.4935 2.4935 2.5040 2.5040 2.6104 2.6104 2.6232 2.6232 3.1044 3.1044 5.0150 5.0150 5.1061 5.1061 10.4191 10.4191 11.1352 11.1352 11.6558 11.6558 11.9242 11.9242 k = 0.4200 0.5000 0.4200 ( 3572 PWs) bands (ev): -20.0296 -20.0296 -16.7469 -16.7469 -16.7204 -16.7204 -16.7132 -16.7132 -4.8715 -4.8715 -4.0598 -4.0598 -4.0485 -4.0485 -2.0353 -2.0353 -1.9869 -1.9869 -1.5744 -1.5744 -0.4674 -0.4674 -0.4445 -0.4445 0.0224 0.0224 2.4554 2.4554 2.4859 2.4859 2.4995 2.4995 2.6017 2.6017 2.6184 2.6184 3.0967 3.0967 4.9736 4.9736 5.0912 5.0912 10.3434 10.3434 11.1726 11.1726 11.6868 11.6868 12.0124 12.0124 k = 0.4100 0.5000 0.4100 ( 3568 PWs) bands (ev): -20.0299 -20.0299 -16.7487 -16.7487 -16.7219 -16.7219 -16.7134 -16.7134 -4.8680 -4.8680 -4.0563 -4.0563 -4.0422 -4.0422 -2.0317 -2.0317 -1.9697 -1.9697 -1.5531 -1.5531 -0.4668 -0.4668 -0.4380 -0.4380 0.0274 0.0274 2.4451 2.4451 2.4773 2.4773 2.4945 2.4945 2.5922 2.5922 2.6131 2.6131 3.0881 3.0881 4.9275 4.9275 5.0742 5.0742 10.2671 10.2671 11.2122 11.2122 11.7209 11.7209 12.1046 12.1046 k = 0.4000 0.5000 0.4000 ( 3572 PWs) bands (ev): -20.0302 -20.0302 -16.7508 -16.7508 -16.7234 -16.7234 -16.7136 -16.7136 -4.8642 -4.8642 -4.0525 -4.0525 -4.0353 -4.0353 -2.0282 -2.0282 -1.9505 -1.9505 -1.5290 -1.5290 -0.4659 -0.4659 -0.4306 -0.4306 0.0330 0.0330 2.4334 2.4334 2.4677 2.4677 2.4889 2.4889 2.5820 2.5820 2.6075 2.6075 3.0787 3.0787 4.8767 4.8767 5.0551 5.0551 10.1905 10.1905 11.2537 11.2537 11.7580 11.7580 12.2001 12.2001 k = 0.3900 0.5000 0.3900 ( 3584 PWs) bands (ev): -20.0305 -20.0305 -16.7534 -16.7534 -16.7248 -16.7248 -16.7138 -16.7138 -4.8602 -4.8602 -4.0483 -4.0483 -4.0279 -4.0279 -2.0247 -2.0247 -1.9294 -1.9294 -1.5022 -1.5022 -0.4648 -0.4648 -0.4225 -0.4225 0.0394 0.0394 2.4203 2.4203 2.4572 2.4572 2.4826 2.4826 2.5712 2.5712 2.6016 2.6016 3.0685 3.0685 4.8216 4.8216 5.0339 5.0339 10.1139 10.1139 11.2971 11.2971 11.7977 11.7977 12.2985 12.2985 k = 0.3800 0.5000 0.3800 ( 3580 PWs) bands (ev): -20.0308 -20.0308 -16.7565 -16.7565 -16.7260 -16.7260 -16.7141 -16.7141 -4.8558 -4.8558 -4.0438 -4.0438 -4.0200 -4.0200 -2.0213 -2.0213 -1.9064 -1.9064 -1.4725 -1.4725 -0.4632 -0.4632 -0.4135 -0.4135 0.0466 0.0466 2.4058 2.4058 2.4456 2.4456 2.4756 2.4756 2.5600 2.5600 2.5956 2.5956 3.0575 3.0575 4.7625 4.7625 5.0106 5.0106 10.0374 10.0374 11.3416 11.3416 11.8398 11.8398 12.3994 12.3994 k = 0.3700 0.5000 0.3700 ( 3592 PWs) bands (ev): -20.0312 -20.0312 -16.7600 -16.7600 -16.7270 -16.7270 -16.7143 -16.7143 -4.8513 -4.8513 -4.0390 -4.0390 -4.0117 -4.0117 -2.0180 -2.0180 -1.8816 -1.8816 -1.4401 -1.4401 -0.4614 -0.4614 -0.4037 -0.4037 0.0547 0.0547 2.3899 2.3899 2.4329 2.4329 2.4678 2.4678 2.5484 2.5484 2.5895 2.5895 3.0460 3.0460 4.6995 4.6995 4.9850 4.9850 9.9613 9.9613 11.3869 11.3869 11.8838 11.8838 12.5025 12.5025 k = 0.3600 0.5000 0.3600 ( 3590 PWs) bands (ev): -20.0316 -20.0316 -16.7640 -16.7640 -16.7279 -16.7279 -16.7146 -16.7146 -4.8465 -4.8465 -4.0339 -4.0339 -4.0031 -4.0031 -2.0149 -2.0149 -1.8549 -1.8549 -1.4050 -1.4050 -0.4589 -0.4589 -0.3930 -0.3930 0.0637 0.0637 2.3728 2.3728 2.4191 2.4191 2.4591 2.4591 2.5366 2.5366 2.5834 2.5834 3.0339 3.0339 4.6330 4.6330 4.9573 4.9573 9.8857 9.8857 11.4320 11.4320 11.9297 11.9297 12.6075 12.6075 k = 0.3500 0.5000 0.3500 ( 3586 PWs) bands (ev): -20.0320 -20.0320 -16.7683 -16.7683 -16.7286 -16.7286 -16.7148 -16.7148 -4.8416 -4.8416 -4.0286 -4.0286 -3.9943 -3.9943 -2.0120 -2.0120 -1.8265 -1.8265 -1.3673 -1.3673 -0.4559 -0.4559 -0.3815 -0.3815 0.0737 0.0737 2.3544 2.3544 2.4041 2.4041 2.4496 2.4496 2.5247 2.5247 2.5773 2.5773 3.0213 3.0213 4.5632 4.5632 4.9273 4.9273 9.8107 9.8107 11.4761 11.4761 11.9773 11.9773 12.7143 12.7143 k = 0.3400 0.5000 0.3400 ( 3598 PWs) bands (ev): -20.0324 -20.0324 -16.7730 -16.7730 -16.7292 -16.7292 -16.7151 -16.7151 -4.8365 -4.8365 -4.0231 -4.0231 -3.9852 -3.9852 -2.0092 -2.0092 -1.7963 -1.7963 -1.3271 -1.3271 -0.4522 -0.4522 -0.3691 -0.3691 0.0846 0.0846 2.3347 2.3347 2.3879 2.3879 2.4391 2.4391 2.5127 2.5127 2.5714 2.5714 3.0084 3.0084 4.4904 4.4904 4.8951 4.8951 9.7365 9.7365 11.5182 11.5182 12.0264 12.0264 12.8225 12.8225 k = 0.3300 0.5000 0.3300 ( 3598 PWs) bands (ev): -20.0329 -20.0329 -16.7780 -16.7780 -16.7296 -16.7296 -16.7154 -16.7154 -4.8314 -4.8314 -4.0175 -4.0175 -3.9760 -3.9760 -2.0066 -2.0066 -1.7645 -1.7645 -1.2845 -1.2845 -0.4477 -0.4477 -0.3558 -0.3558 0.0966 0.0966 2.3139 2.3139 2.3707 2.3707 2.4278 2.4278 2.5007 2.5007 2.5657 2.5657 2.9952 2.9952 4.4148 4.4148 4.8606 4.8606 9.6631 9.6631 11.5572 11.5572 12.0772 12.0772 12.9320 12.9320 k = 0.3200 0.5000 0.3200 ( 3598 PWs) bands (ev): -20.0334 -20.0334 -16.7833 -16.7833 -16.7300 -16.7300 -16.7156 -16.7156 -4.8261 -4.8261 -4.0116 -4.0116 -3.9667 -3.9667 -2.0042 -2.0042 -1.7311 -1.7311 -1.2396 -1.2396 -0.4423 -0.4423 -0.3415 -0.3415 0.1096 0.1096 2.2920 2.2920 2.3523 2.3523 2.4156 2.4156 2.4885 2.4885 2.5603 2.5603 2.9819 2.9819 4.3367 4.3367 4.8238 4.8238 9.5908 9.5908 11.5917 11.5917 12.1298 12.1298 13.0423 13.0423 k = 0.3100 0.5000 0.3100 ( 3598 PWs) bands (ev): -20.0339 -20.0339 -16.7887 -16.7887 -16.7303 -16.7303 -16.7159 -16.7159 -4.8209 -4.8209 -4.0057 -4.0057 -3.9575 -3.9575 -2.0020 -2.0020 -1.6961 -1.6961 -1.1926 -1.1926 -0.4358 -0.4358 -0.3263 -0.3263 0.1236 0.1236 2.2689 2.2689 2.3330 2.3330 2.4026 2.4026 2.4762 2.4762 2.5552 2.5552 2.9686 2.9686 4.2563 4.2563 4.7846 4.7846 9.5195 9.5195 11.6207 11.6207 12.1844 12.1844 13.1534 13.1534 k = 0.3000 0.5000 0.3000 ( 3590 PWs) bands (ev): -20.0344 -20.0344 -16.7944 -16.7944 -16.7304 -16.7304 -16.7162 -16.7162 -4.8156 -4.8156 -3.9996 -3.9996 -3.9483 -3.9483 -1.9998 -1.9998 -1.6597 -1.6597 -1.1438 -1.1438 -0.4281 -0.4281 -0.3102 -0.3102 0.1388 0.1388 2.2447 2.2447 2.3129 2.3129 2.3888 2.3888 2.4636 2.4636 2.5504 2.5504 2.9553 2.9553 4.1739 4.1739 4.7432 4.7432 9.4495 9.4495 11.6430 11.6430 12.2412 12.2412 13.2647 13.2647 k = 0.2900 0.5000 0.2900 ( 3594 PWs) bands (ev): -20.0350 -20.0350 -16.8003 -16.8003 -16.7306 -16.7306 -16.7164 -16.7164 -4.8104 -4.8104 -3.9935 -3.9935 -3.9393 -3.9393 -1.9978 -1.9978 -1.6218 -1.6218 -1.0933 -1.0933 -0.4190 -0.4190 -0.2930 -0.2930 0.1551 0.1551 2.2195 2.2195 2.2919 2.2919 2.3743 2.3743 2.4506 2.4506 2.5460 2.5460 2.9422 2.9422 4.0897 4.0897 4.6994 4.6994 9.3809 9.3809 11.6581 11.6581 12.3005 12.3005 13.3758 13.3758 k = 0.2800 0.5000 0.2800 ( 3592 PWs) bands (ev): -20.0355 -20.0355 -16.8062 -16.8062 -16.7307 -16.7307 -16.7167 -16.7167 -4.8052 -4.8052 -3.9873 -3.9873 -3.9306 -3.9306 -1.9959 -1.9959 -1.5826 -1.5826 -1.0415 -1.0415 -0.4083 -0.4083 -0.2748 -0.2748 0.1725 0.1725 2.1934 2.1934 2.2703 2.2703 2.3591 2.3591 2.4370 2.4370 2.5421 2.5421 2.9293 2.9293 4.0040 4.0040 4.6532 4.6532 9.3137 9.3137 11.6653 11.6653 12.3621 12.3621 13.4862 13.4862 k = 0.2700 0.5000 0.2700 ( 3580 PWs) bands (ev): -20.0361 -20.0361 -16.8123 -16.8123 -16.7307 -16.7307 -16.7169 -16.7169 -4.8001 -4.8001 -3.9811 -3.9811 -3.9220 -3.9220 -1.9941 -1.9941 -1.5421 -1.5421 -0.9887 -0.9887 -0.3957 -0.3957 -0.2555 -0.2555 0.1911 0.1911 2.1664 2.1664 2.2482 2.2482 2.3435 2.3435 2.4228 2.4228 2.5386 2.5386 2.9168 2.9168 3.9171 3.9171 4.6048 4.6048 9.2480 9.2480 11.6647 11.6647 12.4259 12.4259 13.5952 13.5952 k = 0.2600 0.5000 0.2600 ( 3580 PWs) bands (ev): -20.0367 -20.0367 -16.8184 -16.8184 -16.7307 -16.7307 -16.7171 -16.7171 -4.7951 -4.7951 -3.9750 -3.9750 -3.9138 -3.9138 -1.9923 -1.9923 -1.5005 -1.5005 -0.9353 -0.9353 -0.3810 -0.3810 -0.2351 -0.2351 0.2107 0.2107 2.1385 2.1385 2.2255 2.2255 2.3273 2.3273 2.4078 2.4078 2.5356 2.5356 2.9047 2.9047 3.8292 3.8292 4.5541 4.5541 9.1841 9.1841 11.6565 11.6565 12.4919 12.4919 13.7018 13.7018 k = 0.2500 0.5000 0.2500 ( 3564 PWs) bands (ev): -20.0373 -20.0373 -16.8245 -16.8245 -16.7306 -16.7306 -16.7174 -16.7174 -4.7902 -4.7902 -3.9689 -3.9689 -3.9060 -3.9060 -1.9906 -1.9906 -1.4579 -1.4579 -0.8818 -0.8818 -0.3638 -0.3638 -0.2136 -0.2136 0.2314 0.2314 2.1099 2.1099 2.2024 2.2024 2.3108 2.3108 2.3920 2.3920 2.5330 2.5330 2.8931 2.8931 3.7406 3.7406 4.5011 4.5011 9.1219 9.1219 11.6412 11.6412 12.5595 12.5595 13.7655 13.7655 k = 0.2400 0.5000 0.2400 ( 3580 PWs) bands (ev): -20.0379 -20.0379 -16.8307 -16.8307 -16.7306 -16.7306 -16.7176 -16.7176 -4.7854 -4.7854 -3.9629 -3.9629 -3.8985 -3.8985 -1.9890 -1.9890 -1.4143 -1.4143 -0.8289 -0.8289 -0.3437 -0.3437 -0.1909 -0.1909 0.2532 0.2532 2.0806 2.0806 2.1789 2.1789 2.2939 2.2939 2.3754 2.3754 2.5309 2.5309 2.8819 2.8819 3.6516 3.6516 4.4459 4.4459 9.0617 9.0617 11.6196 11.6196 12.6285 12.6285 13.6950 13.6950 k = 0.2300 0.5000 0.2300 ( 3580 PWs) bands (ev): -20.0385 -20.0385 -16.8368 -16.8368 -16.7305 -16.7305 -16.7178 -16.7178 -4.7809 -4.7809 -3.9569 -3.9569 -3.8915 -3.8915 -1.9874 -1.9874 -1.3700 -1.3700 -0.7771 -0.7771 -0.3202 -0.3202 -0.1669 -0.1669 0.2761 0.2761 2.0508 2.0508 2.1551 2.1551 2.2769 2.2769 2.3580 2.3580 2.5293 2.5293 2.8710 2.8710 3.5625 3.5625 4.3887 4.3887 9.0034 9.0034 11.5924 11.5924 12.6984 12.6984 13.6247 13.6247 k = 0.2200 0.5000 0.2200 ( 3588 PWs) bands (ev): -20.0392 -20.0392 -16.8429 -16.8429 -16.7304 -16.7304 -16.7180 -16.7180 -4.7765 -4.7765 -3.9512 -3.9512 -3.8850 -3.8850 -1.9858 -1.9858 -1.3249 -1.3249 -0.7272 -0.7272 -0.2927 -0.2927 -0.1416 -0.1416 0.2999 0.2999 2.0206 2.0206 2.1310 2.1310 2.2597 2.2597 2.3398 2.3398 2.5280 2.5280 2.8603 2.8603 3.4738 3.4738 4.3295 4.3295 8.9472 8.9472 11.5605 11.5605 12.7689 12.7689 13.5565 13.5565 k = 0.2100 0.5000 0.2100 ( 3588 PWs) bands (ev): -20.0398 -20.0398 -16.8489 -16.8489 -16.7302 -16.7302 -16.7181 -16.7181 -4.7722 -4.7722 -3.9455 -3.9455 -3.8789 -3.8789 -1.9842 -1.9842 -1.2794 -1.2794 -0.6800 -0.6800 -0.2608 -0.2608 -0.1150 -0.1150 0.3246 0.3246 1.9902 1.9902 2.1066 2.1066 2.2425 2.2425 2.3209 2.3209 2.5271 2.5271 2.8495 2.8495 3.3859 3.3859 4.2684 4.2684 8.8932 8.8932 11.5248 11.5248 12.8395 12.8395 13.4908 13.4908 k = 0.2000 0.5000 0.2000 ( 3588 PWs) bands (ev): -20.0404 -20.0404 -16.8549 -16.8549 -16.7300 -16.7300 -16.7183 -16.7183 -4.7682 -4.7682 -3.9401 -3.9401 -3.8733 -3.8733 -1.9827 -1.9827 -1.2335 -1.2335 -0.6362 -0.6362 -0.2241 -0.2241 -0.0870 -0.0870 0.3501 0.3501 1.9596 1.9596 2.0819 2.0819 2.2254 2.2254 2.3014 2.3014 2.5265 2.5265 2.8382 2.8382 3.2997 3.2997 4.2055 4.2055 8.8414 8.8414 11.4860 11.4860 12.9097 12.9097 13.4274 13.4274 k = 0.1900 0.5000 0.1900 ( 3580 PWs) bands (ev): -20.0410 -20.0410 -16.8606 -16.8606 -16.7299 -16.7299 -16.7184 -16.7184 -4.7645 -4.7645 -3.9349 -3.9349 -3.8681 -3.8681 -1.9811 -1.9811 -1.1875 -1.1875 -0.5961 -0.5961 -0.1825 -0.1825 -0.0575 -0.0575 0.3764 0.3764 1.9291 1.9291 2.0569 2.0569 2.2083 2.2083 2.2816 2.2816 2.5261 2.5261 2.8254 2.8254 3.2161 3.2161 4.1411 4.1411 8.7919 8.7919 11.4449 11.4449 12.9794 12.9794 13.3667 13.3667 k = 0.1800 0.5000 0.1800 ( 3580 PWs) bands (ev): -20.0416 -20.0416 -16.8663 -16.8663 -16.7297 -16.7297 -16.7185 -16.7185 -4.7609 -4.7609 -3.9299 -3.9299 -3.8634 -3.8634 -1.9796 -1.9796 -1.1415 -1.1415 -0.5599 -0.5599 -0.1362 -0.1362 -0.0264 -0.0264 0.4032 0.4032 1.8987 1.8987 2.0315 2.0315 2.1916 2.1916 2.2616 2.2616 2.5257 2.5257 2.8098 2.8098 3.1369 3.1369 4.0753 4.0753 8.7448 8.7448 11.4023 11.4023 13.0480 13.0480 13.3085 13.3085 k = 0.1700 0.5000 0.1700 ( 3600 PWs) bands (ev): -20.0422 -20.0422 -16.8717 -16.8717 -16.7295 -16.7295 -16.7186 -16.7186 -4.7576 -4.7576 -3.9252 -3.9252 -3.8592 -3.8592 -1.9782 -1.9782 -1.0957 -1.0957 -0.5276 -0.5276 -0.0858 -0.0858 0.0063 0.0063 0.4305 0.4305 1.8686 1.8686 2.0057 2.0057 2.1751 2.1751 2.2416 2.2416 2.5254 2.5254 2.7889 2.7889 3.0649 3.0649 4.0084 4.0084 8.7001 8.7001 11.3587 11.3587 13.1151 13.1151 13.2531 13.2531 k = 0.1600 0.5000 0.1600 ( 3584 PWs) bands (ev): -20.0428 -20.0428 -16.8770 -16.8770 -16.7293 -16.7293 -16.7187 -16.7187 -4.7544 -4.7544 -3.9207 -3.9207 -3.8553 -3.8553 -1.9767 -1.9767 -1.0503 -1.0503 -0.4986 -0.4986 -0.0322 -0.0322 0.0409 0.0409 0.4580 0.4580 1.8391 1.8391 1.9796 1.9796 2.1590 2.1590 2.2218 2.2218 2.5249 2.5249 2.7588 2.7588 3.0040 3.0040 3.9407 3.9407 8.6579 8.6579 11.3148 11.3148 13.1804 13.1804 13.2004 13.2004 k = 0.1500 0.5000 0.1500 ( 3580 PWs) bands (ev): -20.0434 -20.0434 -16.8821 -16.8821 -16.7291 -16.7291 -16.7187 -16.7187 -4.7516 -4.7516 -3.9165 -3.9165 -3.8519 -3.8519 -1.9752 -1.9752 -1.0057 -1.0057 -0.4727 -0.4727 0.0232 0.0232 0.0780 0.0780 0.4856 0.4856 1.8103 1.8103 1.9529 1.9529 2.1433 2.1433 2.2026 2.2026 2.5243 2.5243 2.7164 2.7164 2.9581 2.9581 3.8724 3.8724 8.6182 8.6182 11.2711 11.2711 13.1506 13.1506 13.2435 13.2435 k = 0.1400 0.5000 0.1400 ( 3584 PWs) bands (ev): -20.0439 -20.0439 -16.8869 -16.8869 -16.7290 -16.7290 -16.7187 -16.7187 -4.7489 -4.7489 -3.9126 -3.9126 -3.8488 -3.8488 -1.9739 -1.9739 -0.9620 -0.9620 -0.4494 -0.4494 0.0778 0.0778 0.1191 0.1191 0.5128 0.5128 1.7823 1.7823 1.9258 1.9258 2.1282 2.1282 2.1843 2.1843 2.5232 2.5232 2.6618 2.6618 2.9271 2.9271 3.8039 3.8039 8.5810 8.5810 11.2282 11.2282 13.1036 13.1036 13.3040 13.3040 k = 0.1300 0.5000 0.1300 ( 3586 PWs) bands (ev): -20.0444 -20.0444 -16.8915 -16.8915 -16.7288 -16.7288 -16.7187 -16.7187 -4.7465 -4.7465 -3.9091 -3.9091 -3.8460 -3.8460 -1.9725 -1.9725 -0.9196 -0.9196 -0.4283 -0.4283 0.1279 0.1279 0.1671 0.1671 0.5395 0.5395 1.7554 1.7554 1.8981 1.8981 2.1135 2.1135 2.1670 2.1670 2.5213 2.5213 2.5994 2.5994 2.9073 2.9073 3.7357 3.7357 8.5463 8.5463 11.1863 11.1863 13.0597 13.0597 13.3614 13.3614 k = 0.1200 0.5000 0.1200 ( 3586 PWs) bands (ev): -20.0449 -20.0449 -16.8958 -16.8958 -16.7286 -16.7286 -16.7187 -16.7187 -4.7443 -4.7443 -3.9059 -3.9059 -3.8435 -3.8435 -1.9712 -1.9712 -0.8786 -0.8786 -0.4091 -0.4091 0.1725 0.1725 0.2223 0.2223 0.5652 0.5652 1.7296 1.7296 1.8698 1.8698 2.0995 2.0995 2.1512 2.1512 2.5163 2.5163 2.5362 2.5362 2.8948 2.8948 3.6682 3.6682 8.5143 8.5143 11.1460 11.1460 13.0187 13.0187 13.4154 13.4154 k = 0.1100 0.5000 0.1100 ( 3586 PWs) bands (ev): -20.0454 -20.0454 -16.8999 -16.8999 -16.7285 -16.7285 -16.7187 -16.7187 -4.7423 -4.7423 -3.9030 -3.9030 -3.8413 -3.8413 -1.9700 -1.9700 -0.8395 -0.8395 -0.3916 -0.3916 0.2144 0.2144 0.2808 0.2808 0.5894 0.5894 1.7052 1.7052 1.8409 1.8409 2.0861 2.0861 2.1371 2.1371 2.4652 2.4652 2.5183 2.5183 2.8865 2.8865 3.6020 3.6020 8.4848 8.4848 11.1076 11.1076 12.9809 12.9809 13.4653 13.4653 k = 0.1000 0.5000 0.1000 ( 3602 PWs) bands (ev): -20.0459 -20.0459 -16.9036 -16.9036 -16.7284 -16.7284 -16.7187 -16.7187 -4.7405 -4.7405 -3.9004 -3.9004 -3.8394 -3.8394 -1.9689 -1.9689 -0.8025 -0.8025 -0.3756 -0.3756 0.2554 0.2554 0.3400 0.3400 0.6119 0.6119 1.6820 1.6820 1.8112 1.8112 2.0733 2.0733 2.1250 2.1250 2.4021 2.4021 2.5138 2.5138 2.8810 2.8810 3.5376 3.5376 8.4579 8.4579 11.0715 11.0715 12.9461 12.9461 13.5107 13.5107 k = 0.0900 0.5000 0.0900 ( 3600 PWs) bands (ev): -20.0463 -20.0463 -16.9070 -16.9070 -16.7283 -16.7283 -16.7186 -16.7186 -4.7389 -4.7389 -3.8981 -3.8981 -3.8377 -3.8377 -1.9678 -1.9678 -0.7679 -0.7679 -0.3611 -0.3611 0.2961 0.2961 0.3985 0.3985 0.6320 0.6320 1.6602 1.6602 1.7810 1.7810 2.0612 2.0612 2.1152 2.1152 2.3426 2.3426 2.5087 2.5087 2.8773 2.8773 3.4759 3.4759 8.4335 8.4335 11.0379 11.0379 12.9146 12.9146 13.5510 13.5510 k = 0.0800 0.5000 0.0800 ( 3600 PWs) bands (ev): -20.0466 -20.0466 -16.9101 -16.9101 -16.7282 -16.7282 -16.7185 -16.7185 -4.7375 -4.7375 -3.8962 -3.8962 -3.8361 -3.8361 -1.9669 -1.9669 -0.7359 -0.7359 -0.3481 -0.3481 0.3364 0.3364 0.4552 0.4552 0.6493 0.6493 1.6394 1.6394 1.7505 1.7505 2.0500 2.0500 2.1078 2.1078 2.2885 2.2885 2.5025 2.5025 2.8748 2.8748 3.4175 3.4175 8.4118 8.4118 11.0071 11.0071 12.8862 12.8862 13.5857 13.5857 k = 0.0700 0.5000 0.0700 ( 3590 PWs) bands (ev): -20.0470 -20.0470 -16.9129 -16.9129 -16.7281 -16.7281 -16.7185 -16.7185 -4.7363 -4.7363 -3.8945 -3.8945 -3.8348 -3.8348 -1.9660 -1.9660 -0.7070 -0.7070 -0.3364 -0.3364 0.3759 0.3759 0.5094 0.5094 0.6636 0.6636 1.6193 1.6193 1.7202 1.7202 2.0398 2.0398 2.1029 2.1029 2.2407 2.2407 2.4951 2.4951 2.8731 2.8731 3.3632 3.3632 8.3926 8.3926 10.9794 10.9794 12.8611 12.8611 13.6144 13.6144 k = 0.0600 0.5000 0.0600 ( 3582 PWs) bands (ev): -20.0472 -20.0472 -16.9153 -16.9153 -16.7280 -16.7280 -16.7184 -16.7184 -4.7353 -4.7353 -3.8931 -3.8931 -3.8337 -3.8337 -1.9652 -1.9652 -0.6813 -0.6813 -0.3261 -0.3261 0.4143 0.4143 0.5599 0.5599 0.6746 0.6746 1.5992 1.5992 1.6913 1.6913 2.0307 2.0307 2.1004 2.1004 2.2001 2.2001 2.4865 2.4865 2.8720 2.8720 3.3140 3.3140 8.3760 8.3760 10.9549 10.9549 12.8393 12.8393 13.6369 13.6369 k = 0.0500 0.5000 0.0500 ( 3582 PWs) bands (ev): -20.0475 -20.0475 -16.9173 -16.9173 -16.7280 -16.7280 -16.7183 -16.7183 -4.7345 -4.7345 -3.8920 -3.8920 -3.8327 -3.8327 -1.9645 -1.9645 -0.6592 -0.6592 -0.3172 -0.3172 0.4508 0.4508 0.6048 0.6048 0.6831 0.6831 1.5784 1.5784 1.6655 1.6655 2.0228 2.0228 2.0999 2.0999 2.1671 2.1671 2.4770 2.4770 2.8712 2.8712 3.2707 3.2707 8.3620 8.3620 10.9339 10.9339 12.8208 12.8208 13.6536 13.6536 k = 0.0400 0.5000 0.0400 ( 3578 PWs) bands (ev): -20.0477 -20.0477 -16.9190 -16.9190 -16.7279 -16.7279 -16.7183 -16.7183 -4.7338 -4.7338 -3.8911 -3.8911 -3.8319 -3.8319 -1.9640 -1.9640 -0.6408 -0.6408 -0.3099 -0.3099 0.4848 0.4848 0.6401 0.6401 0.6921 0.6921 1.5568 1.5568 1.6444 1.6444 2.0162 2.0162 2.1005 2.1005 2.1419 2.1419 2.4671 2.4671 2.8708 2.8708 3.2341 3.2341 8.3505 8.3505 10.9165 10.9165 12.8056 12.8056 13.6650 13.6650 k = 0.0300 0.5000 0.0300 ( 3570 PWs) bands (ev): -20.0478 -20.0478 -16.9204 -16.9204 -16.7279 -16.7279 -16.7182 -16.7182 -4.7333 -4.7333 -3.8904 -3.8904 -3.8313 -3.8313 -1.9635 -1.9635 -0.6263 -0.6263 -0.3040 -0.3040 0.5152 0.5152 0.6577 0.6577 0.7082 0.7082 1.5356 1.5356 1.6285 1.6285 2.0111 2.0111 2.1000 2.1000 2.1260 2.1260 2.4576 2.4576 2.8705 2.8705 3.2049 3.2049 8.3416 8.3416 10.9029 10.9029 12.7938 12.7938 13.6723 13.6723 k = 0.0200 0.5000 0.0200 ( 3574 PWs) bands (ev): -20.0480 -20.0480 -16.9213 -16.9213 -16.7278 -16.7278 -16.7182 -16.7182 -4.7329 -4.7329 -3.8899 -3.8899 -3.8308 -3.8308 -1.9632 -1.9632 -0.6158 -0.6158 -0.2998 -0.2998 0.5406 0.5406 0.6600 0.6600 0.7287 0.7287 1.5174 1.5174 1.6178 1.6178 2.0073 2.0073 2.0955 2.0955 2.1203 2.1203 2.4496 2.4496 2.8703 2.8703 3.1837 3.1837 8.3352 8.3352 10.8930 10.8930 12.7853 12.7853 13.6765 13.6765 k = 0.0100 0.5000 0.0100 ( 3574 PWs) bands (ev): -20.0480 -20.0480 -16.9219 -16.9219 -16.7278 -16.7278 -16.7182 -16.7182 -4.7327 -4.7327 -3.8896 -3.8896 -3.8306 -3.8306 -1.9630 -1.9630 -0.6095 -0.6095 -0.2973 -0.2973 0.5586 0.5586 0.6569 0.6569 0.7437 0.7437 1.5050 1.5050 1.6117 1.6117 2.0051 2.0051 2.0905 2.0905 2.1202 2.1202 2.4442 2.4442 2.8702 2.8702 3.1708 3.1708 8.3314 8.3314 10.8871 10.8871 12.7802 12.7802 13.6787 13.6787 k = 0.0000 0.5000-0.0000 ( 3588 PWs) bands (ev): -20.0481 -20.0481 -16.9221 -16.9221 -16.7278 -16.7278 -16.7182 -16.7182 -4.7326 -4.7326 -3.8895 -3.8895 -3.8305 -3.8305 -1.9630 -1.9630 -0.6074 -0.6074 -0.2965 -0.2965 0.5653 0.5653 0.6550 0.6550 0.7491 0.7491 1.5006 1.5006 1.6097 1.6097 2.0043 2.0043 2.0885 2.0885 2.1205 2.1205 2.4422 2.4422 2.8702 2.8702 3.1665 3.1665 8.3301 8.3301 10.8851 10.8851 12.7785 12.7785 13.6793 13.6793 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -20.0362 -20.0362 -16.8217 -16.8217 -16.7368 -16.7368 -16.7172 -16.7172 -4.7736 -4.7736 -3.9693 -3.9693 -3.8330 -3.8330 -2.0686 -2.0686 -1.8686 -1.8686 -0.5989 -0.5989 -0.4980 -0.4980 0.2458 0.2458 0.8286 0.8286 1.8475 1.8475 1.9861 1.9861 2.0168 2.0168 2.4792 2.4792 2.4990 2.4990 2.7373 2.7373 2.9312 2.9312 5.1490 5.1490 9.5267 9.5267 12.3785 12.3785 12.9251 12.9251 12.9887 12.9887 k = 0.5000 0.5000 0.0139 ( 3572 PWs) bands (ev): -20.0362 -20.0362 -16.8215 -16.8215 -16.7368 -16.7368 -16.7172 -16.7172 -4.7738 -4.7738 -3.9695 -3.9695 -3.8335 -3.8335 -2.0685 -2.0685 -1.8686 -1.8686 -0.5985 -0.5985 -0.4993 -0.4993 0.2450 0.2450 0.8137 0.8137 1.8611 1.8611 1.9882 1.9882 2.0181 2.0181 2.4794 2.4794 2.4991 2.4991 2.7398 2.7399 2.9315 2.9315 5.1491 5.1491 9.5276 9.5276 12.3747 12.3747 12.9274 12.9274 12.9841 12.9841 k = 0.5000 0.5000 0.0278 ( 3580 PWs) bands (ev): -20.0362 -20.0362 -16.8210 -16.8210 -16.7368 -16.7368 -16.7172 -16.7172 -4.7745 -4.7745 -3.9701 -3.9701 -3.8350 -3.8350 -2.0685 -2.0685 -1.8688 -1.8688 -0.5975 -0.5975 -0.5034 -0.5034 0.2429 0.2429 0.7717 0.7717 1.8978 1.8978 1.9958 1.9958 2.0218 2.0218 2.4802 2.4802 2.4992 2.4992 2.7478 2.7478 2.9323 2.9323 5.1491 5.1491 9.5303 9.5303 12.3636 12.3636 12.9341 12.9341 12.9704 12.9704 k = 0.5000 0.5000 0.0417 ( 3588 PWs) bands (ev): -20.0361 -20.0361 -16.8201 -16.8201 -16.7367 -16.7367 -16.7172 -16.7172 -4.7755 -4.7755 -3.9712 -3.9712 -3.8376 -3.8376 -2.0683 -2.0683 -1.8690 -1.8690 -0.5957 -0.5957 -0.5102 -0.5102 0.2395 0.2395 0.7089 0.7089 1.9441 1.9441 2.0154 2.0154 2.0280 2.0280 2.4814 2.4814 2.4994 2.4994 2.7618 2.7618 2.9337 2.9337 5.1491 5.1491 9.5350 9.5350 12.3453 12.3453 12.9435 12.9435 12.9499 12.9499 k = 0.5000 0.5000 0.0556 ( 3580 PWs) bands (ev): -20.0360 -20.0360 -16.8189 -16.8189 -16.7367 -16.7367 -16.7171 -16.7171 -4.7769 -4.7769 -3.9725 -3.9725 -3.8411 -3.8411 -2.0680 -2.0680 -1.8693 -1.8693 -0.5933 -0.5933 -0.5199 -0.5199 0.2347 0.2347 0.6321 0.6321 1.9764 1.9764 2.0366 2.0366 2.0625 2.0625 2.4832 2.4832 2.4997 2.4997 2.7831 2.7831 2.9357 2.9357 5.1492 5.1492 9.5415 9.5415 12.3203 12.3203 12.9171 12.9171 12.9619 12.9619 k = 0.5000 0.5000 0.0694 ( 3576 PWs) bands (ev): -20.0359 -20.0359 -16.8173 -16.8173 -16.7365 -16.7365 -16.7170 -16.7170 -4.7788 -4.7788 -3.9743 -3.9743 -3.8455 -3.8455 -2.0676 -2.0676 -1.8696 -1.8696 -0.5902 -0.5902 -0.5328 -0.5328 0.2287 0.2287 0.5470 0.5470 1.9945 1.9945 2.0474 2.0474 2.1301 2.1301 2.4855 2.4855 2.5001 2.5001 2.8135 2.8135 2.9381 2.9381 5.1492 5.1492 9.5498 9.5498 12.2891 12.2891 12.8798 12.8798 12.9823 12.9823 k = 0.5000 0.5000 0.0833 ( 3592 PWs) bands (ev): -20.0357 -20.0357 -16.8154 -16.8154 -16.7364 -16.7364 -16.7169 -16.7169 -4.7810 -4.7810 -3.9764 -3.9764 -3.8509 -3.8509 -2.0672 -2.0672 -1.8702 -1.8702 -0.5866 -0.5866 -0.5490 -0.5490 0.2216 0.2216 0.4579 0.4579 2.0094 2.0094 2.0604 2.0604 2.2008 2.2008 2.4882 2.4882 2.5005 2.5005 2.8552 2.8552 2.9411 2.9411 5.1493 5.1493 9.5602 9.5602 12.2524 12.2524 12.8364 12.8364 13.0072 13.0072 k = 0.5000 0.5000 0.0972 ( 3592 PWs) bands (ev): -20.0355 -20.0355 -16.8131 -16.8131 -16.7362 -16.7362 -16.7168 -16.7168 -4.7835 -4.7835 -3.9789 -3.9789 -3.8571 -3.8571 -2.0667 -2.0667 -1.8708 -1.8708 -0.5823 -0.5823 -0.5691 -0.5691 0.2135 0.2135 0.3679 0.3679 2.0246 2.0246 2.0753 2.0753 2.2663 2.2663 2.4914 2.4914 2.5011 2.5011 2.9100 2.9100 2.9447 2.9447 5.1494 5.1494 9.5725 9.5725 12.2108 12.2108 12.7878 12.7878 13.0366 13.0366 k = 0.5000 0.5000 0.1111 ( 3592 PWs) bands (ev): -20.0353 -20.0353 -16.8106 -16.8106 -16.7360 -16.7360 -16.7167 -16.7167 -4.7865 -4.7865 -3.9817 -3.9817 -3.8641 -3.8641 -2.0662 -2.0662 -1.8715 -1.8715 -0.5934 -0.5934 -0.5776 -0.5776 0.2045 0.2045 0.2796 0.2796 2.0409 2.0409 2.0919 2.0919 2.3228 2.3228 2.4950 2.4950 2.5018 2.5018 2.9487 2.9487 2.9788 2.9788 5.1496 5.1496 9.5868 9.5868 12.1651 12.1651 12.7351 12.7351 13.0705 13.0705 k = 0.5000 0.5000 0.1250 ( 3588 PWs) bands (ev): -20.0351 -20.0351 -16.8078 -16.8078 -16.7358 -16.7358 -16.7166 -16.7166 -4.7897 -4.7897 -3.9848 -3.9848 -3.8717 -3.8717 -2.0656 -2.0656 -1.8724 -1.8724 -0.6223 -0.6223 -0.5725 -0.5725 0.1947 0.1947 0.1948 0.1948 2.0585 2.0585 2.1102 2.1102 2.3689 2.3689 2.4991 2.4991 2.5027 2.5027 2.9533 2.9533 3.0612 3.0612 5.1497 5.1497 9.6032 9.6032 12.1158 12.1158 12.6791 12.6791 13.1088 13.1088 k = 0.5000 0.5000 0.1389 ( 3588 PWs) bands (ev): -20.0349 -20.0349 -16.8047 -16.8047 -16.7355 -16.7355 -16.7164 -16.7164 -4.7932 -4.7932 -3.9882 -3.9882 -3.8801 -3.8801 -2.0650 -2.0650 -1.8735 -1.8735 -0.6565 -0.6565 -0.5670 -0.5670 0.1149 0.1149 0.1845 0.1845 2.0773 2.0773 2.1298 2.1298 2.4053 2.4053 2.5035 2.5035 2.5038 2.5038 2.9584 2.9584 3.1550 3.1550 5.1499 5.1499 9.6218 9.6218 12.0638 12.0638 12.6206 12.6206 13.1516 13.1516 k = 0.5000 0.5000 0.1528 ( 3588 PWs) bands (ev): -20.0346 -20.0346 -16.8015 -16.8015 -16.7352 -16.7352 -16.7162 -16.7162 -4.7970 -4.7970 -3.9919 -3.9919 -3.8890 -3.8890 -2.0643 -2.0643 -1.8747 -1.8747 -0.6962 -0.6962 -0.5611 -0.5611 0.0415 0.0415 0.1738 0.1738 2.0974 2.0974 2.1506 2.1506 2.4336 2.4336 2.5052 2.5052 2.5082 2.5082 2.9640 2.9640 3.2576 3.2576 5.1500 5.1500 9.6425 9.6425 12.0095 12.0095 12.5603 12.5603 13.1986 13.1986 k = 0.5000 0.5000 0.1667 ( 3580 PWs) bands (ev): -20.0343 -20.0343 -16.7980 -16.7980 -16.7349 -16.7349 -16.7161 -16.7161 -4.8011 -4.8011 -3.9957 -3.9957 -3.8983 -3.8983 -2.0636 -2.0636 -1.8762 -1.8762 -0.7416 -0.7416 -0.5551 -0.5551 -0.0249 -0.0249 0.1627 0.1627 2.1185 2.1185 2.1722 2.1722 2.4553 2.4553 2.5072 2.5072 2.5134 2.5134 2.9700 2.9700 3.3663 3.3663 5.1502 5.1502 9.6656 9.6656 11.9535 11.9535 12.4988 12.4988 13.2499 13.2499 k = 0.5000 0.5000 0.1806 ( 3600 PWs) bands (ev): -20.0340 -20.0340 -16.7943 -16.7943 -16.7346 -16.7346 -16.7159 -16.7159 -4.8054 -4.8054 -3.9998 -3.9998 -3.9081 -3.9081 -2.0629 -2.0629 -1.8780 -1.8780 -0.7925 -0.7925 -0.5489 -0.5489 -0.0837 -0.0837 0.1513 0.1513 2.1405 2.1405 2.1946 2.1946 2.4717 2.4717 2.5102 2.5102 2.5188 2.5188 2.9765 2.9765 3.4789 3.4789 5.1504 5.1504 9.6910 9.6910 11.8965 11.8965 12.4367 12.4367 13.3054 13.3054 k = 0.5000 0.5000 0.1944 ( 3600 PWs) bands (ev): -20.0337 -20.0337 -16.7906 -16.7906 -16.7342 -16.7342 -16.7157 -16.7157 -4.8099 -4.8099 -4.0040 -4.0040 -3.9182 -3.9182 -2.0622 -2.0622 -1.8801 -1.8801 -0.8481 -0.8481 -0.5426 -0.5426 -0.1352 -0.1352 0.1400 0.1400 2.1632 2.1632 2.2175 2.2175 2.4832 2.4832 2.5148 2.5148 2.5244 2.5244 2.9834 2.9834 3.5936 3.5936 5.1506 5.1506 9.7188 9.7188 11.8388 11.8388 12.3745 12.3745 13.3559 13.3559 k = 0.5000 0.5000 0.2083 ( 3600 PWs) bands (ev): -20.0334 -20.0334 -16.7867 -16.7867 -16.7338 -16.7338 -16.7155 -16.7155 -4.8145 -4.8145 -4.0084 -4.0084 -3.9285 -3.9285 -2.0615 -2.0615 -1.8826 -1.8826 -0.9076 -0.9076 -0.5363 -0.5363 -0.1798 -0.1798 0.1287 0.1287 2.1865 2.1865 2.2406 2.2406 2.4905 2.4905 2.5212 2.5212 2.5303 2.5303 2.9907 2.9907 3.7089 3.7089 5.1508 5.1508 9.7491 9.7491 11.7809 11.7809 12.3126 12.3126 13.2560 13.2560 k = 0.5000 0.5000 0.2222 ( 3600 PWs) bands (ev): -20.0331 -20.0331 -16.7828 -16.7828 -16.7333 -16.7333 -16.7153 -16.7153 -4.8192 -4.8192 -4.0128 -4.0128 -3.9390 -3.9390 -2.0608 -2.0608 -1.8855 -1.8855 -0.9696 -0.9696 -0.5301 -0.5301 -0.2183 -0.2183 0.1175 0.1175 2.2101 2.2101 2.2638 2.2638 2.4949 2.4949 2.5289 2.5289 2.5365 2.5365 2.9984 2.9984 3.8237 3.8237 5.1510 5.1510 9.7820 9.7820 11.7232 11.7232 12.2515 12.2515 13.1561 13.1561 k = 0.5000 0.5000 0.2361 ( 3592 PWs) bands (ev): -20.0328 -20.0328 -16.7788 -16.7788 -16.7327 -16.7327 -16.7151 -16.7151 -4.8240 -4.8240 -4.0174 -4.0174 -3.9495 -3.9495 -2.0600 -2.0600 -1.8889 -1.8889 -1.0330 -1.0330 -0.5240 -0.5240 -0.2517 -0.2517 0.1066 0.1066 2.2339 2.2339 2.2868 2.2868 2.4977 2.4977 2.5370 2.5370 2.5428 2.5428 3.0065 3.0065 3.9370 3.9370 5.1513 5.1513 9.8175 9.8175 11.6661 11.6661 12.1913 12.1913 13.0562 13.0562 k = 0.5000 0.5000 0.2500 ( 3584 PWs) bands (ev): -20.0324 -20.0324 -16.7748 -16.7748 -16.7321 -16.7321 -16.7149 -16.7149 -4.8289 -4.8289 -4.0219 -4.0219 -3.9600 -3.9600 -2.0593 -2.0593 -1.8928 -1.8928 -1.0966 -1.0966 -0.5180 -0.5180 -0.2806 -0.2806 0.0961 0.0961 2.2576 2.2576 2.3094 2.3094 2.4996 2.4996 2.5449 2.5449 2.5493 2.5493 3.0148 3.0148 4.0481 4.0481 5.1515 5.1515 9.8557 9.8557 11.6100 11.6100 12.1326 12.1326 12.9566 12.9566 k = 0.5000 0.5000 0.2639 ( 3592 PWs) bands (ev): -20.0321 -20.0321 -16.7710 -16.7710 -16.7315 -16.7315 -16.7147 -16.7147 -4.8337 -4.8337 -4.0264 -4.0264 -3.9704 -3.9704 -2.0587 -2.0587 -1.8975 -1.8975 -1.1592 -1.1592 -0.5123 -0.5123 -0.3059 -0.3059 0.0860 0.0860 2.2811 2.2811 2.3314 2.3314 2.5011 2.5011 2.5526 2.5526 2.5558 2.5558 3.0233 3.0233 4.1563 4.1563 5.1517 5.1517 9.8966 9.8966 11.5551 11.5551 12.0755 12.0755 12.8573 12.8573 k = 0.5000 0.5000 0.2778 ( 3596 PWs) bands (ev): -20.0318 -20.0318 -16.7672 -16.7672 -16.7307 -16.7307 -16.7145 -16.7145 -4.8386 -4.8386 -4.0309 -4.0309 -3.9806 -3.9806 -2.0580 -2.0580 -1.9030 -1.9030 -1.2199 -1.2199 -0.5069 -0.5069 -0.3281 -0.3281 0.0764 0.0764 2.3042 2.3042 2.3527 2.3527 2.5023 2.5023 2.5600 2.5600 2.5625 2.5625 3.0321 3.0321 4.2610 4.2610 5.1520 5.1520 9.9403 9.9403 11.5017 11.5017 12.0204 12.0204 12.7584 12.7584 k = 0.5000 0.5000 0.2917 ( 3588 PWs) bands (ev): -20.0315 -20.0315 -16.7636 -16.7636 -16.7298 -16.7298 -16.7142 -16.7142 -4.8434 -4.8434 -4.0353 -4.0353 -3.9905 -3.9905 -2.0574 -2.0574 -1.9094 -1.9094 -1.2779 -1.2779 -0.5019 -0.5019 -0.3478 -0.3478 0.0673 0.0673 2.3266 2.3266 2.3731 2.3731 2.5034 2.5034 2.5671 2.5671 2.5693 2.5693 3.0410 3.0410 4.3616 4.3616 5.1522 5.1522 9.9868 9.9868 11.4500 11.4500 11.9674 11.9674 12.6601 12.6601 k = 0.5000 0.5000 0.3056 ( 3588 PWs) bands (ev): -20.0312 -20.0312 -16.7602 -16.7602 -16.7289 -16.7289 -16.7140 -16.7140 -4.8480 -4.8480 -4.0397 -4.0397 -4.0002 -4.0002 -2.0568 -2.0568 -1.9168 -1.9168 -1.3325 -1.3325 -0.4971 -0.4971 -0.3653 -0.3653 0.0589 0.0589 2.3481 2.3481 2.3924 2.3924 2.5043 2.5043 2.5740 2.5740 2.5760 2.5760 3.0499 3.0499 4.4577 4.4577 5.1524 5.1524 10.0361 10.0361 11.4003 11.4003 11.9169 11.9169 12.5624 12.5624 k = 0.5000 0.5000 0.3194 ( 3580 PWs) bands (ev): -20.0309 -20.0309 -16.7571 -16.7571 -16.7277 -16.7277 -16.7139 -16.7139 -4.8526 -4.8526 -4.0438 -4.0438 -4.0094 -4.0094 -2.0562 -2.0562 -1.9253 -1.9253 -1.3832 -1.3832 -0.4928 -0.4928 -0.3809 -0.3809 0.0511 0.0511 2.3686 2.3686 2.4105 2.4105 2.5053 2.5053 2.5807 2.5807 2.5828 2.5828 3.0588 3.0588 4.5489 4.5489 5.1527 5.1527 10.0881 10.0881 11.3528 11.3528 11.8689 11.8689 12.4656 12.4656 k = 0.5000 0.5000 0.3333 ( 3588 PWs) bands (ev): -20.0306 -20.0306 -16.7543 -16.7543 -16.7265 -16.7265 -16.7137 -16.7137 -4.8569 -4.8569 -4.0478 -4.0478 -4.0183 -4.0183 -2.0557 -2.0557 -1.9350 -1.9350 -1.4294 -1.4294 -0.4889 -0.4889 -0.3949 -0.3949 0.0439 0.0439 2.3879 2.3879 2.4272 2.4272 2.5062 2.5062 2.5873 2.5873 2.5895 2.5895 3.0675 3.0675 4.6348 4.6348 5.1529 5.1529 10.1428 10.1428 11.3076 11.3076 11.8238 11.8238 12.3697 12.3697 k = 0.5000 0.5000 0.3472 ( 3580 PWs) bands (ev): -20.0303 -20.0303 -16.7518 -16.7518 -16.7251 -16.7251 -16.7135 -16.7135 -4.8611 -4.8611 -4.0516 -4.0516 -4.0266 -4.0266 -2.0552 -2.0552 -1.9458 -1.9458 -1.4709 -1.4709 -0.4853 -0.4853 -0.4073 -0.4073 0.0373 0.0373 2.4058 2.4058 2.4427 2.4427 2.5071 2.5071 2.5938 2.5938 2.5961 2.5961 3.0761 3.0761 4.7150 4.7150 5.1531 5.1531 10.2000 10.2000 11.2649 11.2649 11.7816 11.7816 12.2752 12.2752 k = 0.5000 0.5000 0.3611 ( 3580 PWs) bands (ev): -20.0300 -20.0300 -16.7497 -16.7497 -16.7236 -16.7236 -16.7133 -16.7133 -4.8650 -4.8650 -4.0552 -4.0552 -4.0343 -4.0343 -2.0547 -2.0547 -1.9577 -1.9577 -1.5074 -1.5074 -0.4821 -0.4821 -0.4185 -0.4185 0.0315 0.0315 2.4221 2.4221 2.4566 2.4566 2.5080 2.5080 2.6002 2.6002 2.6026 2.6026 3.0843 3.0843 4.7891 4.7891 5.1533 5.1533 10.2595 10.2595 11.2246 11.2246 11.7426 11.7426 12.1821 12.1821 k = 0.5000 0.5000 0.3750 ( 3572 PWs) bands (ev): -20.0298 -20.0298 -16.7479 -16.7479 -16.7220 -16.7220 -16.7132 -16.7132 -4.8687 -4.8687 -4.0585 -4.0585 -4.0415 -4.0415 -2.0543 -2.0543 -1.9704 -1.9704 -1.5391 -1.5391 -0.4794 -0.4794 -0.4283 -0.4283 0.0262 0.0262 2.4367 2.4367 2.4691 2.4691 2.5091 2.5091 2.6064 2.6064 2.6088 2.6088 3.0922 3.0922 4.8571 4.8571 5.1535 5.1535 10.3212 10.3212 11.1869 11.1869 11.7068 11.7068 12.0910 12.0910 k = 0.5000 0.5000 0.3889 ( 3572 PWs) bands (ev): -20.0296 -20.0296 -16.7464 -16.7464 -16.7203 -16.7203 -16.7130 -16.7130 -4.8720 -4.8720 -4.0615 -4.0615 -4.0480 -4.0480 -2.0539 -2.0539 -1.9836 -1.9836 -1.5661 -1.5661 -0.4770 -0.4770 -0.4370 -0.4370 0.0217 0.0217 2.4495 2.4495 2.4802 2.4802 2.5102 2.5102 2.6123 2.6123 2.6147 2.6147 3.0996 3.0996 4.9184 4.9184 5.1537 5.1537 10.3848 10.3848 11.1516 11.1516 11.6744 11.6744 12.0024 12.0024 k = 0.5000 0.5000 0.4028 ( 3588 PWs) bands (ev): -20.0294 -20.0294 -16.7452 -16.7452 -16.7188 -16.7188 -16.7129 -16.7129 -4.8750 -4.8750 -4.0643 -4.0643 -4.0539 -4.0539 -2.0536 -2.0536 -1.9970 -1.9970 -1.5885 -1.5885 -0.4749 -0.4749 -0.4446 -0.4446 0.0177 0.0177 2.4604 2.4604 2.4897 2.4897 2.5114 2.5114 2.6180 2.6180 2.6202 2.6202 3.1064 3.1064 4.9731 4.9731 5.1539 5.1539 10.4497 10.4497 11.1186 11.1186 11.6456 11.6456 11.9170 11.9170 k = 0.5000 0.5000 0.4167 ( 3588 PWs) bands (ev): -20.0292 -20.0292 -16.7442 -16.7442 -16.7173 -16.7173 -16.7128 -16.7128 -4.8777 -4.8777 -4.0667 -4.0667 -4.0590 -4.0590 -2.0533 -2.0533 -2.0098 -2.0098 -1.6069 -1.6069 -0.4732 -0.4732 -0.4511 -0.4511 0.0143 0.0143 2.4694 2.4694 2.4979 2.4979 2.5127 2.5127 2.6233 2.6233 2.6252 2.6252 3.1124 3.1124 5.0208 5.0208 5.1541 5.1541 10.5156 10.5156 11.0875 11.0875 11.6204 11.6204 11.8357 11.8357 k = 0.5000 0.5000 0.4306 ( 3576 PWs) bands (ev): -20.0290 -20.0290 -16.7435 -16.7435 -16.7159 -16.7159 -16.7127 -16.7127 -4.8800 -4.8800 -4.0687 -4.0687 -4.0634 -4.0634 -2.0530 -2.0530 -2.0217 -2.0217 -1.6216 -1.6216 -0.4718 -0.4718 -0.4566 -0.4566 0.0115 0.0115 2.4766 2.4766 2.5047 2.5047 2.5143 2.5143 2.6282 2.6282 2.6296 2.6296 3.1178 3.1178 5.0614 5.0614 5.1542 5.1542 10.5816 10.5816 11.0577 11.0577 11.5989 11.5989 11.7601 11.7601 k = 0.5000 0.5000 0.4444 ( 3576 PWs) bands (ev): -20.0289 -20.0289 -16.7429 -16.7429 -16.7147 -16.7147 -16.7126 -16.7126 -4.8819 -4.8819 -4.0704 -4.0704 -4.0670 -4.0670 -2.0528 -2.0528 -2.0322 -2.0322 -1.6330 -1.6330 -0.4707 -0.4707 -0.4610 -0.4610 0.0092 0.0092 2.4819 2.4819 2.5102 2.5102 2.5158 2.5158 2.6323 2.6323 2.6334 2.6334 3.1222 3.1222 5.0948 5.0948 5.1543 5.1543 10.6468 10.6468 11.0284 11.0284 11.5812 11.5812 11.6918 11.6918 k = 0.5000 0.5000 0.4583 ( 3568 PWs) bands (ev): -20.0288 -20.0288 -16.7424 -16.7424 -16.7137 -16.7137 -16.7125 -16.7125 -4.8834 -4.8834 -4.0718 -4.0718 -4.0699 -4.0699 -2.0527 -2.0527 -2.0408 -2.0408 -1.6414 -1.6414 -0.4699 -0.4699 -0.4644 -0.4644 0.0075 0.0075 2.4858 2.4858 2.5144 2.5144 2.5174 2.5174 2.6357 2.6357 2.6364 2.6364 3.1258 3.1258 5.1208 5.1208 5.1544 5.1544 10.7100 10.7100 10.9982 10.9982 11.5673 11.5673 11.6336 11.6336 k = 0.5000 0.5000 0.4722 ( 3556 PWs) bands (ev): -20.0287 -20.0287 -16.7421 -16.7421 -16.7130 -16.7130 -16.7125 -16.7125 -4.8844 -4.8844 -4.0727 -4.0727 -4.0719 -4.0719 -2.0525 -2.0525 -2.0472 -2.0472 -1.6473 -1.6473 -0.4693 -0.4693 -0.4669 -0.4669 0.0063 0.0063 2.4883 2.4883 2.5174 2.5174 2.5186 2.5186 2.6383 2.6383 2.6386 2.6386 3.1284 3.1284 5.1395 5.1395 5.1545 5.1545 10.7695 10.7695 10.9659 10.9659 11.5574 11.5574 11.5884 11.5884 k = 0.5000 0.5000 0.4861 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7126 -16.7126 -16.7125 -16.7125 -4.8851 -4.8851 -4.0733 -4.0733 -4.0731 -4.0731 -2.0525 -2.0525 -2.0511 -2.0511 -1.6507 -1.6507 -0.4689 -0.4689 -0.4683 -0.4683 0.0056 0.0056 2.4897 2.4897 2.5192 2.5192 2.5194 2.5194 2.6398 2.6398 2.6399 2.6399 3.1299 3.1299 5.1508 5.1508 5.1545 5.1545 10.8222 10.8222 10.9313 10.9313 11.5515 11.5515 11.5595 11.5595 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -20.0287 -20.0287 -16.7419 -16.7419 -16.7124 -16.7124 -16.7124 -16.7124 -4.8853 -4.8853 -4.0735 -4.0735 -4.0735 -4.0735 -2.0524 -2.0524 -2.0524 -2.0524 -1.6518 -1.6518 -0.4688 -0.4688 -0.4688 -0.4688 0.0053 0.0053 2.4902 2.4902 2.5197 2.5197 2.5197 2.5197 2.6404 2.6404 2.6404 2.6404 3.1304 3.1304 5.1545 5.1545 5.1545 5.1545 10.8526 10.8526 10.9072 10.9072 11.5495 11.5495 11.5495 11.5495 Writing output data file RbHgF3.save init_run : 0.31s CPU 0.53s WALL ( 1 calls) electrons : 117.50s CPU 119.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 117.50s CPU 119.79s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 275 calls) cegterg : 109.26s CPU 110.82s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 64.61s CPU 65.73s WALL ( 6055 calls) s_psi : 2.94s CPU 3.00s WALL ( 6055 calls) g_psi : 0.19s CPU 0.19s WALL ( 5402 calls) cdiaghg : 36.42s CPU 37.10s WALL ( 5677 calls) cegterg:over : 4.52s CPU 4.41s WALL ( 5402 calls) cegterg:upda : 3.10s CPU 3.17s WALL ( 5402 calls) cegterg:last : 2.28s CPU 2.29s WALL ( 1172 calls) cdiaghg:chol : 1.82s CPU 2.04s WALL ( 5677 calls) cdiaghg:inve : 1.25s CPU 1.36s WALL ( 5677 calls) cdiaghg:para : 2.16s CPU 2.17s WALL ( 11354 calls) Called by h_psi: h_psi:vloc : 57.72s CPU 58.70s WALL ( 6055 calls) h_psi:vnl : 6.68s CPU 6.87s WALL ( 6055 calls) add_vuspsi : 3.27s CPU 3.39s WALL ( 6055 calls) General routines calbec : 3.38s CPU 3.46s WALL ( 6055 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 53.50s CPU 54.35s WALL ( 697828 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 550 calls) Parallel routines fft_scatter : 19.24s CPU 20.09s WALL ( 697851 calls) PWSCF : 2m10.62s CPU 2m28.27s WALL This run was terminated on: 17:49:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=