Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:23:45 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: ./HfBRh3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 46 27 8 1438 666 108 Max 47 28 9 1443 686 113 Sum 1685 1005 301 51867 24303 3959 bravais-lattice index = 14 lattice parameter (alat) = 7.6156 a.u. unit-cell volume = 441.6840 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.615596 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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 Hf 12.00 178.49000 Hf( 1.00) B 3.00 10.81100 B( 1.00) Rh 17.00 102.90550 Rh( 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= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033003 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033003 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033003 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033003 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033003 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033003 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033003 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033003 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033003 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033003 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033003 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033003 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033003 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033003 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033003 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033003 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033003 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033003 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033003 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033003 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033003 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033003 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033003 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033003 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033003 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033003 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033003 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033003 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033003 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033003 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033003 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033003 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033003 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033003 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0033003 k( 83) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0033003 k( 84) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0033003 k( 85) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0033003 k( 86) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0033003 k( 87) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0033003 k( 88) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033003 k( 89) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0033003 k( 90) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0033003 k( 91) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0033003 k( 92) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0033003 k( 93) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0033003 k( 94) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0033003 k( 95) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033003 k( 96) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0033003 k( 97) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0033003 k( 98) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0033003 k( 99) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0033003 k( 100) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0033003 k( 101) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0033003 k( 102) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033003 k( 103) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0033003 k( 104) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0033003 k( 105) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033003 k( 106) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0033003 k( 107) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0033003 k( 108) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0033003 k( 109) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 110) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0033003 k( 111) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0033003 k( 112) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0033003 k( 113) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0033003 k( 114) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0033003 k( 115) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0033003 k( 116) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033003 k( 117) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0033003 k( 118) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0033003 k( 119) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0033003 k( 120) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0033003 k( 121) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0033003 k( 122) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0033003 k( 123) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 124) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0033003 k( 125) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0033003 k( 126) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0033003 k( 127) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0033003 k( 128) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0033003 k( 129) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0033003 k( 130) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 131) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0033003 k( 132) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0033003 k( 133) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0033003 k( 134) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0033003 k( 135) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0033003 k( 136) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 139) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033003 k( 140) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033003 k( 141) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033003 k( 142) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033003 k( 143) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033003 k( 144) = ( 0.0441177 0.0441176 0.0441176), wk = 0.0033003 k( 145) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033003 k( 146) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033003 k( 147) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033003 k( 148) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033003 k( 149) = ( 0.0808824 0.0808823 0.0808823), wk = 0.0033003 k( 150) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033003 k( 151) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033003 k( 152) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033003 k( 153) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033003 k( 154) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033003 k( 155) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033003 k( 156) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033003 k( 157) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033003 k( 158) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033003 k( 159) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033003 k( 160) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033003 k( 161) = ( 0.1691177 0.1691176 0.1691176), wk = 0.0033003 k( 162) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033003 k( 163) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033003 k( 164) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033003 k( 165) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033003 k( 166) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033003 k( 167) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033003 k( 168) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033003 k( 169) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033003 k( 170) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033003 k( 171) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033003 k( 172) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033003 k( 173) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033003 k( 174) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033003 k( 175) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033003 k( 176) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033003 k( 177) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033003 k( 178) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0033003 k( 179) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033003 k( 180) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033003 k( 181) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033003 k( 182) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033003 k( 183) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033003 k( 184) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033003 k( 185) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033003 k( 186) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033003 k( 187) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033003 k( 188) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033003 k( 189) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033003 k( 190) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033003 k( 191) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033003 k( 192) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033003 k( 193) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033003 k( 194) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033003 k( 195) = ( 0.4191177 0.4191176 0.4191176), wk = 0.0033003 k( 196) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033003 k( 197) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033003 k( 198) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033003 k( 199) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033003 k( 200) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033003 k( 201) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033003 k( 202) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033003 k( 203) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033003 k( 204) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033003 k( 205) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033003 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 208) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0033003 k( 209) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0033003 k( 210) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0033003 k( 211) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0033003 k( 212) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0033003 k( 213) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0033003 k( 214) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0033003 k( 215) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0033003 k( 216) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0033003 k( 217) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0033003 k( 218) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0033003 k( 219) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0033003 k( 220) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0033003 k( 221) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0033003 k( 222) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0033003 k( 223) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0033003 k( 224) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0033003 k( 225) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0033003 k( 226) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0033003 k( 227) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0033003 k( 228) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0033003 k( 229) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0033003 k( 230) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0033003 k( 231) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0033003 k( 232) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0033003 k( 233) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0033003 k( 234) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0033003 k( 235) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033003 k( 236) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0033003 k( 237) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0033003 k( 238) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0033003 k( 239) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0033003 k( 240) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0033003 k( 241) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0033003 k( 242) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0033003 k( 243) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0033003 k( 244) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0033003 k( 245) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0033003 k( 246) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0033003 k( 247) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0033003 k( 248) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0033003 k( 249) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0033003 k( 250) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0033003 k( 251) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0033003 k( 252) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0033003 k( 253) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0033003 k( 254) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0033003 k( 255) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0033003 k( 256) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0033003 k( 257) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0033003 k( 258) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0033003 k( 259) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0033003 k( 260) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0033003 k( 261) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0033003 k( 262) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 264) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 265) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033003 k( 266) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033003 k( 267) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033003 k( 268) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033003 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033003 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033003 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033003 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033003 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033003 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033003 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033003 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033003 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033003 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033003 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033003 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033003 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033003 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033003 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033003 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033003 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033003 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033003 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033003 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033003 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033003 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033003 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033003 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033003 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033003 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033003 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033003 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033003 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033003 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0033003 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033003 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033003 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0033003 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033003 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033003 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033003 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033003 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033003 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033003 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033003 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033003 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033003 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 82) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0033003 k( 83) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0033003 k( 84) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0033003 k( 85) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0033003 k( 86) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0033003 k( 87) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0033003 k( 88) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0033003 k( 89) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0033003 k( 90) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0033003 k( 91) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0033003 k( 92) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0033003 k( 93) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0033003 k( 94) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0033003 k( 95) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0033003 k( 96) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0033003 k( 97) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0033003 k( 98) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0033003 k( 99) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0033003 k( 100) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0033003 k( 101) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0033003 k( 102) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033003 k( 103) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0033003 k( 104) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0033003 k( 105) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0033003 k( 106) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0033003 k( 107) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0033003 k( 108) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0033003 k( 109) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033003 k( 110) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0033003 k( 111) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0033003 k( 112) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0033003 k( 113) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0033003 k( 114) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0033003 k( 115) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0033003 k( 116) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0033003 k( 117) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0033003 k( 118) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0033003 k( 119) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0033003 k( 120) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0033003 k( 121) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033003 k( 122) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0033003 k( 123) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033003 k( 124) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0033003 k( 125) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0033003 k( 126) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0033003 k( 127) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0033003 k( 128) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0033003 k( 129) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0033003 k( 130) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033003 k( 131) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0033003 k( 132) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0033003 k( 133) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0033003 k( 134) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0033003 k( 135) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0033003 k( 136) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 139) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033003 k( 140) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033003 k( 141) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033003 k( 142) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033003 k( 143) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033003 k( 144) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0033003 k( 145) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033003 k( 146) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033003 k( 147) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033003 k( 148) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033003 k( 149) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0033003 k( 150) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033003 k( 151) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033003 k( 152) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033003 k( 153) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033003 k( 154) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033003 k( 155) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033003 k( 156) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033003 k( 157) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033003 k( 158) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033003 k( 159) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033003 k( 160) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033003 k( 161) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0033003 k( 162) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033003 k( 163) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033003 k( 164) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033003 k( 165) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033003 k( 166) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033003 k( 167) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033003 k( 168) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033003 k( 169) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033003 k( 170) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033003 k( 171) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033003 k( 172) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033003 k( 173) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033003 k( 174) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033003 k( 175) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033003 k( 176) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033003 k( 177) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033003 k( 178) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0033003 k( 179) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033003 k( 180) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033003 k( 181) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033003 k( 182) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033003 k( 183) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033003 k( 184) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033003 k( 185) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033003 k( 186) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033003 k( 187) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033003 k( 188) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033003 k( 189) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033003 k( 190) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033003 k( 191) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033003 k( 192) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033003 k( 193) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033003 k( 194) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033003 k( 195) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0033003 k( 196) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033003 k( 197) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033003 k( 198) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033003 k( 199) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033003 k( 200) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033003 k( 201) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033003 k( 202) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033003 k( 203) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033003 k( 204) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033003 k( 205) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033003 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 208) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0033003 k( 209) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0033003 k( 210) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0033003 k( 211) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0033003 k( 212) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0033003 k( 213) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0033003 k( 214) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0033003 k( 215) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0033003 k( 216) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0033003 k( 217) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0033003 k( 218) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0033003 k( 219) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0033003 k( 220) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0033003 k( 221) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0033003 k( 222) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0033003 k( 223) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0033003 k( 224) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0033003 k( 225) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0033003 k( 226) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0033003 k( 227) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0033003 k( 228) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0033003 k( 229) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0033003 k( 230) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0033003 k( 231) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0033003 k( 232) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0033003 k( 233) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0033003 k( 234) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0033003 k( 235) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033003 k( 236) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0033003 k( 237) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0033003 k( 238) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0033003 k( 239) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0033003 k( 240) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0033003 k( 241) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0033003 k( 242) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0033003 k( 243) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0033003 k( 244) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0033003 k( 245) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0033003 k( 246) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0033003 k( 247) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0033003 k( 248) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0033003 k( 249) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0033003 k( 250) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0033003 k( 251) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0033003 k( 252) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0033003 k( 253) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0033003 k( 254) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0033003 k( 255) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0033003 k( 256) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0033003 k( 257) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0033003 k( 258) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0033003 k( 259) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0033003 k( 260) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0033003 k( 261) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0033003 k( 262) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 264) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 265) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033003 k( 266) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033003 k( 267) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033003 k( 268) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 Dense grid: 51867 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 24303 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 172, 80) NL pseudopotentials 0.20 Mb ( 86, 150) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1443) G-vector shells 0.00 Mb ( 314) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 172, 320) Each subspace H/S matrix 0.10 Mb ( 80, 80) Each matrix 0.37 Mb ( 150, 2, 80) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./HfBRh3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.2 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.8 secs Computing kpt #: 28 total cpu time spent up to now is 14.2 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.8 secs Computing kpt #: 33 total cpu time spent up to now is 16.2 secs Computing kpt #: 34 total cpu time spent up to now is 16.6 secs Computing kpt #: 35 total cpu time spent up to now is 17.0 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.8 secs Computing kpt #: 38 total cpu time spent up to now is 18.2 secs Computing kpt #: 39 total cpu time spent up to now is 18.6 secs Computing kpt #: 40 total cpu time spent up to now is 19.0 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 19.8 secs Computing kpt #: 43 total cpu time spent up to now is 20.1 secs Computing kpt #: 44 total cpu time spent up to now is 20.5 secs Computing kpt #: 45 total cpu time spent up to now is 20.9 secs Computing kpt #: 46 total cpu time spent up to now is 21.4 secs Computing kpt #: 47 total cpu time spent up to now is 21.8 secs Computing kpt #: 48 total cpu time spent up to now is 22.2 secs Computing kpt #: 49 total cpu time spent up to now is 22.6 secs Computing kpt #: 50 total cpu time spent up to now is 23.0 secs Computing kpt #: 51 total cpu time spent up to now is 23.5 secs Computing kpt #: 52 total cpu time spent up to now is 23.9 secs Computing kpt #: 53 total cpu time spent up to now is 24.4 secs Computing kpt #: 54 total cpu time spent up to now is 24.8 secs Computing kpt #: 55 total cpu time spent up to now is 25.3 secs Computing kpt #: 56 total cpu time spent up to now is 25.7 secs Computing kpt #: 57 total cpu time spent up to now is 26.2 secs Computing kpt #: 58 total cpu time spent up to now is 26.6 secs Computing kpt #: 59 total cpu time spent up to now is 27.1 secs Computing kpt #: 60 total cpu time spent up to now is 27.6 secs Computing kpt #: 61 total cpu time spent up to now is 28.1 secs Computing kpt #: 62 total cpu time spent up to now is 28.6 secs Computing kpt #: 63 total cpu time spent up to now is 29.0 secs Computing kpt #: 64 total cpu time spent up to now is 29.5 secs Computing kpt #: 65 total cpu time spent up to now is 30.0 secs Computing kpt #: 66 total cpu time spent up to now is 30.5 secs Computing kpt #: 67 total cpu time spent up to now is 31.0 secs Computing kpt #: 68 total cpu time spent up to now is 31.5 secs Computing kpt #: 69 total cpu time spent up to now is 32.0 secs Computing kpt #: 70 total cpu time spent up to now is 32.5 secs Computing kpt #: 71 total cpu time spent up to now is 33.0 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 34.0 secs Computing kpt #: 74 total cpu time spent up to now is 34.5 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 35.9 secs Computing kpt #: 78 total cpu time spent up to now is 36.4 secs Computing kpt #: 79 total cpu time spent up to now is 36.9 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.8 secs Computing kpt #: 82 total cpu time spent up to now is 38.3 secs Computing kpt #: 83 total cpu time spent up to now is 38.8 secs Computing kpt #: 84 total cpu time spent up to now is 39.2 secs Computing kpt #: 85 total cpu time spent up to now is 39.7 secs Computing kpt #: 86 total cpu time spent up to now is 40.2 secs Computing kpt #: 87 total cpu time spent up to now is 40.7 secs Computing kpt #: 88 total cpu time spent up to now is 41.2 secs Computing kpt #: 89 total cpu time spent up to now is 41.7 secs Computing kpt #: 90 total cpu time spent up to now is 42.2 secs Computing kpt #: 91 total cpu time spent up to now is 42.7 secs Computing kpt #: 92 total cpu time spent up to now is 43.2 secs Computing kpt #: 93 total cpu time spent up to now is 43.7 secs Computing kpt #: 94 total cpu time spent up to now is 44.2 secs Computing kpt #: 95 total cpu time spent up to now is 44.6 secs Computing kpt #: 96 total cpu time spent up to now is 45.1 secs Computing kpt #: 97 total cpu time spent up to now is 45.7 secs Computing kpt #: 98 total cpu time spent up to now is 46.2 secs Computing kpt #: 99 total cpu time spent up to now is 46.7 secs Computing kpt #: 100 total cpu time spent up to now is 47.2 secs Computing kpt #: 101 total cpu time spent up to now is 47.7 secs Computing kpt #: 102 total cpu time spent up to now is 48.2 secs Computing kpt #: 103 total cpu time spent up to now is 48.7 secs Computing kpt #: 104 total cpu time spent up to now is 49.2 secs Computing kpt #: 105 total cpu time spent up to now is 49.7 secs Computing kpt #: 106 total cpu time spent up to now is 50.2 secs Computing kpt #: 107 total cpu time spent up to now is 50.7 secs Computing kpt #: 108 total cpu time spent up to now is 51.2 secs Computing kpt #: 109 total cpu time spent up to now is 51.6 secs Computing kpt #: 110 total cpu time spent up to now is 52.1 secs Computing kpt #: 111 total cpu time spent up to now is 52.6 secs Computing kpt #: 112 total cpu time spent up to now is 53.0 secs Computing kpt #: 113 total cpu time spent up to now is 53.5 secs Computing kpt #: 114 total cpu time spent up to now is 54.0 secs Computing kpt #: 115 total cpu time spent up to now is 54.4 secs Computing kpt #: 116 total cpu time spent up to now is 54.9 secs Computing kpt #: 117 total cpu time spent up to now is 55.4 secs Computing kpt #: 118 total cpu time spent up to now is 55.8 secs Computing kpt #: 119 total cpu time spent up to now is 56.3 secs Computing kpt #: 120 total cpu time spent up to now is 56.7 secs Computing kpt #: 121 total cpu time spent up to now is 57.2 secs Computing kpt #: 122 total cpu time spent up to now is 57.6 secs Computing kpt #: 123 total cpu time spent up to now is 58.1 secs Computing kpt #: 124 total cpu time spent up to now is 58.6 secs Computing kpt #: 125 total cpu time spent up to now is 59.0 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 60.4 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 61.3 secs Computing kpt #: 131 total cpu time spent up to now is 61.7 secs Computing kpt #: 132 total cpu time spent up to now is 62.1 secs Computing kpt #: 133 total cpu time spent up to now is 62.5 secs Computing kpt #: 134 total cpu time spent up to now is 63.0 secs Computing kpt #: 135 total cpu time spent up to now is 63.4 secs Computing kpt #: 136 total cpu time spent up to now is 63.8 secs Computing kpt #: 137 total cpu time spent up to now is 64.2 secs Computing kpt #: 138 total cpu time spent up to now is 64.6 secs Computing kpt #: 139 total cpu time spent up to now is 65.0 secs Computing kpt #: 140 total cpu time spent up to now is 65.4 secs Computing kpt #: 141 total cpu time spent up to now is 65.8 secs Computing kpt #: 142 total cpu time spent up to now is 66.2 secs Computing kpt #: 143 total cpu time spent up to now is 66.7 secs Computing kpt #: 144 total cpu time spent up to now is 67.1 secs Computing kpt #: 145 total cpu time spent up to now is 67.5 secs Computing kpt #: 146 total cpu time spent up to now is 68.0 secs Computing kpt #: 147 total cpu time spent up to now is 68.4 secs Computing kpt #: 148 total cpu time spent up to now is 68.9 secs Computing kpt #: 149 total cpu time spent up to now is 69.3 secs Computing kpt #: 150 total cpu time spent up to now is 69.8 secs Computing kpt #: 151 total cpu time spent up to now is 70.2 secs Computing kpt #: 152 total cpu time spent up to now is 70.7 secs Computing kpt #: 153 total cpu time spent up to now is 71.2 secs Computing kpt #: 154 total cpu time spent up to now is 71.6 secs Computing kpt #: 155 total cpu time spent up to now is 72.1 secs Computing kpt #: 156 total cpu time spent up to now is 72.5 secs Computing kpt #: 157 total cpu time spent up to now is 73.0 secs Computing kpt #: 158 total cpu time spent up to now is 73.4 secs Computing kpt #: 159 total cpu time spent up to now is 73.9 secs Computing kpt #: 160 total cpu time spent up to now is 74.3 secs Computing kpt #: 161 total cpu time spent up to now is 74.8 secs Computing kpt #: 162 total cpu time spent up to now is 75.2 secs Computing kpt #: 163 total cpu time spent up to now is 75.7 secs Computing kpt #: 164 total cpu time spent up to now is 76.1 secs Computing kpt #: 165 total cpu time spent up to now is 76.6 secs Computing kpt #: 166 total cpu time spent up to now is 77.1 secs Computing kpt #: 167 total cpu time spent up to now is 77.5 secs Computing kpt #: 168 total cpu time spent up to now is 78.0 secs Computing kpt #: 169 total cpu time spent up to now is 78.5 secs Computing kpt #: 170 total cpu time spent up to now is 78.9 secs Computing kpt #: 171 total cpu time spent up to now is 79.4 secs Computing kpt #: 172 total cpu time spent up to now is 79.9 secs Computing kpt #: 173 total cpu time spent up to now is 80.4 secs Computing kpt #: 174 total cpu time spent up to now is 80.9 secs Computing kpt #: 175 total cpu time spent up to now is 81.4 secs Computing kpt #: 176 total cpu time spent up to now is 81.8 secs Computing kpt #: 177 total cpu time spent up to now is 82.3 secs Computing kpt #: 178 total cpu time spent up to now is 82.8 secs Computing kpt #: 179 total cpu time spent up to now is 83.3 secs Computing kpt #: 180 total cpu time spent up to now is 83.8 secs Computing kpt #: 181 total cpu time spent up to now is 84.3 secs Computing kpt #: 182 total cpu time spent up to now is 84.8 secs Computing kpt #: 183 total cpu time spent up to now is 85.3 secs Computing kpt #: 184 total cpu time spent up to now is 85.8 secs Computing kpt #: 185 total cpu time spent up to now is 86.3 secs Computing kpt #: 186 total cpu time spent up to now is 86.8 secs Computing kpt #: 187 total cpu time spent up to now is 87.2 secs Computing kpt #: 188 total cpu time spent up to now is 87.7 secs Computing kpt #: 189 total cpu time spent up to now is 88.1 secs Computing kpt #: 190 total cpu time spent up to now is 88.6 secs Computing kpt #: 191 total cpu time spent up to now is 89.1 secs Computing kpt #: 192 total cpu time spent up to now is 89.5 secs Computing kpt #: 193 total cpu time spent up to now is 90.0 secs Computing kpt #: 194 total cpu time spent up to now is 90.5 secs Computing kpt #: 195 total cpu time spent up to now is 90.9 secs Computing kpt #: 196 total cpu time spent up to now is 91.3 secs Computing kpt #: 197 total cpu time spent up to now is 91.8 secs Computing kpt #: 198 total cpu time spent up to now is 92.2 secs Computing kpt #: 199 total cpu time spent up to now is 92.6 secs Computing kpt #: 200 total cpu time spent up to now is 93.1 secs Computing kpt #: 201 total cpu time spent up to now is 93.5 secs Computing kpt #: 202 total cpu time spent up to now is 93.9 secs Computing kpt #: 203 total cpu time spent up to now is 94.3 secs Computing kpt #: 204 total cpu time spent up to now is 94.7 secs Computing kpt #: 205 total cpu time spent up to now is 95.1 secs Computing kpt #: 206 total cpu time spent up to now is 95.5 secs Computing kpt #: 207 total cpu time spent up to now is 95.9 secs Computing kpt #: 208 total cpu time spent up to now is 96.3 secs Computing kpt #: 209 total cpu time spent up to now is 96.7 secs Computing kpt #: 210 total cpu time spent up to now is 97.1 secs Computing kpt #: 211 total cpu time spent up to now is 97.5 secs Computing kpt #: 212 total cpu time spent up to now is 97.9 secs Computing kpt #: 213 total cpu time spent up to now is 98.4 secs Computing kpt #: 214 total cpu time spent up to now is 98.8 secs Computing kpt #: 215 total cpu time spent up to now is 99.2 secs Computing kpt #: 216 total cpu time spent up to now is 99.6 secs Computing kpt #: 217 total cpu time spent up to now is 100.1 secs Computing kpt #: 218 total cpu time spent up to now is 100.5 secs Computing kpt #: 219 total cpu time spent up to now is 100.9 secs Computing kpt #: 220 total cpu time spent up to now is 101.4 secs Computing kpt #: 221 total cpu time spent up to now is 101.9 secs Computing kpt #: 222 total cpu time spent up to now is 102.3 secs Computing kpt #: 223 total cpu time spent up to now is 102.8 secs Computing kpt #: 224 total cpu time spent up to now is 103.2 secs Computing kpt #: 225 total cpu time spent up to now is 103.7 secs Computing kpt #: 226 total cpu time spent up to now is 104.2 secs Computing kpt #: 227 total cpu time spent up to now is 104.7 secs Computing kpt #: 228 total cpu time spent up to now is 105.1 secs Computing kpt #: 229 total cpu time spent up to now is 105.6 secs Computing kpt #: 230 total cpu time spent up to now is 106.1 secs Computing kpt #: 231 total cpu time spent up to now is 106.6 secs Computing kpt #: 232 total cpu time spent up to now is 107.1 secs Computing kpt #: 233 total cpu time spent up to now is 107.6 secs Computing kpt #: 234 total cpu time spent up to now is 108.1 secs Computing kpt #: 235 total cpu time spent up to now is 108.5 secs Computing kpt #: 236 total cpu time spent up to now is 109.0 secs Computing kpt #: 237 total cpu time spent up to now is 109.4 secs Computing kpt #: 238 total cpu time spent up to now is 109.9 secs Computing kpt #: 239 total cpu time spent up to now is 110.3 secs Computing kpt #: 240 total cpu time spent up to now is 110.8 secs Computing kpt #: 241 total cpu time spent up to now is 111.2 secs Computing kpt #: 242 total cpu time spent up to now is 111.7 secs Computing kpt #: 243 total cpu time spent up to now is 112.1 secs Computing kpt #: 244 total cpu time spent up to now is 112.6 secs Computing kpt #: 245 total cpu time spent up to now is 113.0 secs Computing kpt #: 246 total cpu time spent up to now is 113.5 secs Computing kpt #: 247 total cpu time spent up to now is 113.9 secs Computing kpt #: 248 total cpu time spent up to now is 114.4 secs Computing kpt #: 249 total cpu time spent up to now is 114.8 secs Computing kpt #: 250 total cpu time spent up to now is 115.3 secs Computing kpt #: 251 total cpu time spent up to now is 115.8 secs Computing kpt #: 252 total cpu time spent up to now is 116.2 secs Computing kpt #: 253 total cpu time spent up to now is 116.7 secs Computing kpt #: 254 total cpu time spent up to now is 117.1 secs Computing kpt #: 255 total cpu time spent up to now is 117.5 secs Computing kpt #: 256 total cpu time spent up to now is 118.0 secs Computing kpt #: 257 total cpu time spent up to now is 118.4 secs Computing kpt #: 258 total cpu time spent up to now is 118.8 secs Computing kpt #: 259 total cpu time spent up to now is 119.2 secs Computing kpt #: 260 total cpu time spent up to now is 119.6 secs Computing kpt #: 261 total cpu time spent up to now is 120.1 secs Computing kpt #: 262 total cpu time spent up to now is 120.4 secs Computing kpt #: 263 total cpu time spent up to now is 120.8 secs Computing kpt #: 264 total cpu time spent up to now is 121.3 secs Computing kpt #: 265 total cpu time spent up to now is 121.8 secs Computing kpt #: 266 total cpu time spent up to now is 122.3 secs Computing kpt #: 267 total cpu time spent up to now is 122.8 secs Computing kpt #: 268 total cpu time spent up to now is 123.3 secs Computing kpt #: 269 total cpu time spent up to now is 123.9 secs Computing kpt #: 270 total cpu time spent up to now is 124.4 secs Computing kpt #: 271 total cpu time spent up to now is 124.9 secs Computing kpt #: 272 total cpu time spent up to now is 125.4 secs Computing kpt #: 273 total cpu time spent up to now is 125.9 secs Computing kpt #: 274 total cpu time spent up to now is 126.4 secs Computing kpt #: 275 total cpu time spent up to now is 126.8 secs Computing kpt #: 276 total cpu time spent up to now is 127.3 secs Computing kpt #: 277 total cpu time spent up to now is 127.8 secs Computing kpt #: 278 total cpu time spent up to now is 128.2 secs Computing kpt #: 279 total cpu time spent up to now is 128.7 secs Computing kpt #: 280 total cpu time spent up to now is 129.1 secs Computing kpt #: 281 total cpu time spent up to now is 129.6 secs Computing kpt #: 282 total cpu time spent up to now is 130.0 secs Computing kpt #: 283 total cpu time spent up to now is 130.5 secs Computing kpt #: 284 total cpu time spent up to now is 130.9 secs Computing kpt #: 285 total cpu time spent up to now is 131.3 secs Computing kpt #: 286 total cpu time spent up to now is 131.8 secs Computing kpt #: 287 total cpu time spent up to now is 132.2 secs Computing kpt #: 288 total cpu time spent up to now is 132.6 secs Computing kpt #: 289 total cpu time spent up to now is 133.1 secs Computing kpt #: 290 total cpu time spent up to now is 133.5 secs Computing kpt #: 291 total cpu time spent up to now is 133.9 secs Computing kpt #: 292 total cpu time spent up to now is 134.3 secs Computing kpt #: 293 total cpu time spent up to now is 134.7 secs Computing kpt #: 294 total cpu time spent up to now is 135.2 secs Computing kpt #: 295 total cpu time spent up to now is 135.6 secs Computing kpt #: 296 total cpu time spent up to now is 136.0 secs Computing kpt #: 297 total cpu time spent up to now is 136.4 secs Computing kpt #: 298 total cpu time spent up to now is 136.8 secs Computing kpt #: 299 total cpu time spent up to now is 137.2 secs Computing kpt #: 300 total cpu time spent up to now is 137.7 secs Computing kpt #: 301 total cpu time spent up to now is 138.1 secs Computing kpt #: 302 total cpu time spent up to now is 138.5 secs Computing kpt #: 303 total cpu time spent up to now is 138.9 secs ethr = 1.52E-08, avg # of iterations = 12.5 total cpu time spent up to now is 138.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -57.8992 -57.8992 -57.8416 -57.8416 -57.8416 -57.8416 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9188 -24.9188 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2382 -8.2382 -8.2382 -8.2382 9.4746 9.4746 13.6828 13.6828 15.2923 15.2923 15.2923 15.2923 15.3033 15.3033 15.3290 15.3290 15.3290 15.3290 18.0923 18.0923 18.0923 18.0923 18.3179 18.3179 19.0534 19.0534 19.0534 19.0534 19.4461 19.4461 19.4461 19.4461 19.5718 19.5718 20.7748 20.7748 20.8206 20.8206 20.9297 20.9297 20.9297 20.9297 23.6981 23.6981 23.6981 23.6981 25.4219 25.4219 25.4219 25.4219 25.7272 25.7272 k = 0.0000 0.0128-0.0000 ( 2978 PWs) bands (ev): -57.8992 -57.8992 -57.8417 -57.8417 -57.8417 -57.8417 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9187 -24.9187 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2383 -8.2383 -8.2382 -8.2382 9.4761 9.4761 13.6844 13.6844 15.2932 15.2932 15.2934 15.2934 15.3041 15.3041 15.3298 15.3298 15.3300 15.3300 18.0917 18.0917 18.0925 18.0925 18.3177 18.3177 19.0259 19.0259 19.0533 19.0533 19.4404 19.4404 19.4571 19.4571 19.5738 19.5738 20.7799 20.7799 20.8191 20.8191 20.9319 20.9319 20.9359 20.9359 23.6969 23.6969 23.6996 23.6996 25.4113 25.4113 25.4189 25.4189 25.7210 25.7210 k = 0.0000 0.0256-0.0000 ( 3006 PWs) bands (ev): -57.8991 -57.8991 -57.8418 -57.8418 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5624 -28.5624 -28.3973 -28.3973 -24.9185 -24.9185 -24.7036 -24.7036 -24.7033 -24.7033 -24.4256 -24.4256 -24.4244 -24.4244 -24.4243 -24.4243 -15.9875 -15.9875 -8.2387 -8.2387 -8.2383 -8.2383 9.4805 9.4805 13.6895 13.6895 15.2962 15.2962 15.2967 15.2967 15.3062 15.3062 15.3324 15.3324 15.3333 15.3333 18.0898 18.0898 18.0931 18.0931 18.3171 18.3171 18.9554 18.9554 19.0532 19.0532 19.4236 19.4236 19.4683 19.4683 19.5904 19.5904 20.7936 20.7936 20.8147 20.8147 20.9389 20.9389 20.9538 20.9538 23.6935 23.6935 23.7041 23.7041 25.3802 25.3802 25.4092 25.4092 25.7035 25.7035 k = 0.0000 0.0385-0.0000 ( 3010 PWs) bands (ev): -57.8990 -57.8990 -57.8419 -57.8419 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5621 -28.5621 -28.3976 -28.3976 -24.9180 -24.9180 -24.7038 -24.7038 -24.7031 -24.7031 -24.4257 -24.4257 -24.4246 -24.4246 -24.4244 -24.4244 -15.9876 -15.9876 -8.2391 -8.2391 -8.2384 -8.2384 9.4879 9.4879 13.6980 13.6980 15.3014 15.3014 15.3023 15.3023 15.3102 15.3102 15.3370 15.3370 15.3391 15.3391 18.0866 18.0866 18.0941 18.0941 18.3164 18.3164 18.8599 18.8599 19.0528 19.0528 19.3967 19.3967 19.4532 19.4532 19.6317 19.6317 20.8076 20.8076 20.8128 20.8128 20.9535 20.9535 20.9830 20.9830 23.6879 23.6879 23.7115 23.7115 25.3313 25.3313 25.3917 25.3917 25.6773 25.6773 k = 0.0000 0.0513-0.0000 ( 3006 PWs) bands (ev): -57.8989 -57.8989 -57.8421 -57.8421 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5617 -28.5617 -28.3980 -28.3980 -24.9174 -24.9174 -24.7041 -24.7041 -24.7029 -24.7029 -24.4259 -24.4259 -24.4250 -24.4250 -24.4245 -24.4245 -15.9877 -15.9877 -8.2396 -8.2396 -8.2386 -8.2386 9.4983 9.4983 13.7098 13.7098 15.3087 15.3087 15.3098 15.3098 15.3159 15.3159 15.3436 15.3436 15.3475 15.3475 18.0820 18.0820 18.0952 18.0952 18.3154 18.3154 18.7500 18.7500 19.0522 19.0522 19.3614 19.3614 19.4172 19.4172 19.6840 19.6840 20.7976 20.7976 20.8319 20.8319 20.9789 20.9789 21.0220 21.0220 23.6801 23.6801 23.7214 23.7214 25.2677 25.2677 25.3638 25.3638 25.6465 25.6465 k = 0.0000 0.0641-0.0000 ( 3006 PWs) bands (ev): -57.8987 -57.8987 -57.8422 -57.8422 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5611 -28.5611 -28.3985 -28.3985 -24.9166 -24.9166 -24.7045 -24.7045 -24.7025 -24.7025 -24.4262 -24.4262 -24.4254 -24.4254 -24.4247 -24.4247 -15.9879 -15.9879 -8.2404 -8.2404 -8.2387 -8.2387 9.5116 9.5116 13.7250 13.7250 15.3178 15.3178 15.3189 15.3189 15.3233 15.3233 15.3521 15.3521 15.3588 15.3588 18.0758 18.0758 18.0956 18.0956 18.3143 18.3143 18.6313 18.6313 19.0509 19.0509 19.3193 19.3193 19.3690 19.3690 19.7357 19.7357 20.7848 20.7848 20.8469 20.8469 21.0172 21.0172 21.0693 21.0693 23.6701 23.6701 23.7334 23.7334 25.1927 25.1927 25.3232 25.3232 25.6158 25.6158 k = 0.0000 0.0769-0.0000 ( 3014 PWs) bands (ev): -57.8984 -57.8984 -57.8425 -57.8425 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5605 -28.5605 -28.3992 -28.3992 -24.9156 -24.9156 -24.7050 -24.7050 -24.7022 -24.7022 -24.4265 -24.4265 -24.4260 -24.4260 -24.4248 -24.4248 -15.9881 -15.9881 -8.2413 -8.2413 -8.2389 -8.2389 9.5278 9.5278 13.7434 13.7434 15.3288 15.3288 15.3290 15.3290 15.3326 15.3326 15.3626 15.3626 15.3731 15.3731 18.0677 18.0677 18.0942 18.0942 18.3130 18.3130 18.5077 18.5077 19.0485 19.0485 19.2728 19.2728 19.3129 19.3129 19.7818 19.7818 20.7691 20.7691 20.8570 20.8570 21.0670 21.0670 21.1232 21.1232 23.6580 23.6580 23.7468 23.7468 25.1095 25.1095 25.2685 25.2685 25.5886 25.5886 k = 0.0000 0.0897-0.0000 ( 3014 PWs) bands (ev): -57.8982 -57.8982 -57.8428 -57.8428 -57.8418 -57.8418 -41.7014 -41.7014 -28.5627 -28.5627 -28.5597 -28.5597 -28.3999 -28.3999 -24.9144 -24.9144 -24.7055 -24.7055 -24.7017 -24.7017 -24.4270 -24.4270 -24.4266 -24.4266 -24.4249 -24.4249 -15.9884 -15.9884 -8.2424 -8.2424 -8.2391 -8.2391 9.5469 9.5469 13.7651 13.7651 15.3398 15.3398 15.3415 15.3415 15.3440 15.3440 15.3751 15.3751 15.3907 15.3907 18.0575 18.0575 18.0878 18.0878 18.3115 18.3115 18.3842 18.3842 19.0438 19.0438 19.2244 19.2244 19.2516 19.2516 19.8204 19.8204 20.7506 20.7506 20.8635 20.8635 21.1255 21.1255 21.1825 21.1825 23.6439 23.6439 23.7609 23.7609 25.0205 25.0205 25.2005 25.2005 25.5661 25.5661 k = 0.0000 0.1026-0.0000 ( 3010 PWs) bands (ev): -57.8979 -57.8979 -57.8431 -57.8431 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5588 -28.5588 -28.4007 -28.4007 -24.9131 -24.9131 -24.7062 -24.7062 -24.7012 -24.7012 -24.4275 -24.4275 -24.4273 -24.4273 -24.4249 -24.4249 -15.9887 -15.9887 -8.2436 -8.2436 -8.2393 -8.2393 9.5688 9.5688 13.7900 13.7900 15.3516 15.3516 15.3558 15.3558 15.3572 15.3572 15.3897 15.3897 15.4115 15.4115 18.0453 18.0453 18.0661 18.0661 18.2721 18.2721 18.3097 18.3097 19.0345 19.0345 19.1783 19.1783 19.1868 19.1868 19.8503 19.8503 20.7293 20.7293 20.8678 20.8678 21.1899 21.1899 21.2458 21.2458 23.6280 23.6280 23.7747 23.7747 24.9280 24.9280 25.1216 25.1216 25.5478 25.5478 k = 0.0000 0.1154-0.0000 ( 3018 PWs) bands (ev): -57.8975 -57.8975 -57.8435 -57.8435 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5578 -28.5578 -28.4017 -28.4017 -24.9116 -24.9116 -24.7069 -24.7069 -24.7006 -24.7006 -24.4281 -24.4281 -24.4281 -24.4281 -24.4250 -24.4250 -15.9890 -15.9890 -8.2449 -8.2449 -8.2396 -8.2396 9.5934 9.5934 13.8179 13.8179 15.3643 15.3643 15.3715 15.3715 15.3719 15.3719 15.4064 15.4064 15.4353 15.4353 18.0025 18.0025 18.0307 18.0307 18.1981 18.1981 18.3070 18.3070 19.0156 19.0156 19.1202 19.1202 19.1405 19.1405 19.8710 19.8710 20.7051 20.7051 20.8707 20.8707 21.2580 21.2580 21.3118 21.3118 23.6101 23.6101 23.7871 23.7871 24.8338 24.8338 25.0347 25.0347 25.5326 25.5326 k = 0.0000 0.1282-0.0000 ( 3022 PWs) bands (ev): -57.8972 -57.8972 -57.8439 -57.8439 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5566 -28.5566 -28.4028 -28.4028 -24.9099 -24.9099 -24.7077 -24.7077 -24.7000 -24.7000 -24.4290 -24.4290 -24.4288 -24.4288 -24.4251 -24.4251 -15.9894 -15.9894 -8.2464 -8.2464 -8.2399 -8.2399 9.6208 9.6208 13.8489 13.8489 15.3784 15.3784 15.3881 15.3881 15.3887 15.3887 15.4251 15.4251 15.4622 15.4622 17.8911 17.8911 18.0139 18.0139 18.1690 18.1690 18.3029 18.3029 18.9836 18.9836 19.0530 19.0530 19.1163 19.1163 19.8823 19.8823 20.6783 20.6783 20.8727 20.8727 21.3282 21.3282 21.3796 21.3796 23.5905 23.5905 23.7970 23.7970 24.7397 24.7397 24.9423 24.9423 25.5195 25.5195 k = 0.0000 0.1410-0.0000 ( 3022 PWs) bands (ev): -57.8967 -57.8967 -57.8443 -57.8443 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5554 -28.5554 -28.4040 -28.4040 -24.9081 -24.9081 -24.7086 -24.7086 -24.6993 -24.6993 -24.4300 -24.4300 -24.4296 -24.4296 -24.4251 -24.4251 -15.9897 -15.9897 -8.2480 -8.2480 -8.2403 -8.2403 9.6508 9.6508 13.8827 13.8827 15.3938 15.3938 15.4058 15.4058 15.4072 15.4072 15.4458 15.4458 15.4921 15.4921 17.7584 17.7584 17.9948 17.9948 18.1582 18.1582 18.2964 18.2964 18.9418 18.9418 18.9865 18.9865 19.1040 19.1040 19.8846 19.8846 20.6487 20.6487 20.8742 20.8742 21.3993 21.3993 21.4483 21.4483 23.5694 23.5694 23.8029 23.8029 24.6469 24.6469 24.8465 24.8465 25.5077 25.5077 k = 0.0000 0.1538-0.0000 ( 3022 PWs) bands (ev): -57.8963 -57.8963 -57.8447 -57.8447 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5540 -28.5540 -28.4052 -28.4052 -24.9061 -24.9061 -24.7096 -24.7096 -24.6986 -24.6986 -24.4310 -24.4310 -24.4304 -24.4304 -24.4251 -24.4251 -15.9902 -15.9902 -8.2497 -8.2497 -8.2406 -8.2406 9.6834 9.6834 13.9194 13.9194 15.4105 15.4105 15.4250 15.4250 15.4269 15.4269 15.4682 15.4682 15.5247 15.5247 17.6181 17.6181 17.9734 17.9734 18.1519 18.1519 18.2865 18.2865 18.8971 18.8971 18.9219 18.9219 19.0983 19.0983 19.8781 19.8781 20.6165 20.6165 20.8754 20.8754 21.4703 21.4703 21.5170 21.5170 23.5468 23.5468 23.8034 23.8034 24.5571 24.5571 24.7488 24.7488 25.4967 25.4967 k = 0.0000 0.1667-0.0000 ( 3030 PWs) bands (ev): -57.8958 -57.8958 -57.8452 -57.8452 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5526 -28.5526 -28.4066 -28.4066 -24.9040 -24.9040 -24.7107 -24.7107 -24.6978 -24.6978 -24.4321 -24.4321 -24.4313 -24.4313 -24.4252 -24.4252 -15.9906 -15.9906 -8.2515 -8.2515 -8.2410 -8.2410 9.7185 9.7185 13.9586 13.9586 15.4283 15.4283 15.4456 15.4456 15.4480 15.4480 15.4924 15.4924 15.5599 15.5599 17.4748 17.4748 17.9499 17.9499 18.1451 18.1451 18.2715 18.2715 18.8547 18.8547 18.8607 18.8607 19.0958 19.0958 19.8630 19.8630 20.5817 20.5817 20.8763 20.8763 21.5402 21.5402 21.5849 21.5849 23.5229 23.5229 23.7972 23.7972 24.4713 24.4713 24.6508 24.6508 25.4863 25.4863 k = 0.0000 0.1795-0.0000 ( 3030 PWs) bands (ev): -57.8953 -57.8953 -57.8457 -57.8457 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5510 -28.5510 -28.4081 -28.4081 -24.9017 -24.9017 -24.7118 -24.7118 -24.6970 -24.6970 -24.4333 -24.4333 -24.4323 -24.4323 -24.4252 -24.4252 -15.9911 -15.9911 -8.2533 -8.2533 -8.2414 -8.2414 9.7560 9.7560 14.0004 14.0004 15.4474 15.4474 15.4677 15.4677 15.4704 15.4704 15.5180 15.5180 15.5977 15.5977 17.3304 17.3304 17.9244 17.9244 18.1354 18.1354 18.2504 18.2504 18.8044 18.8044 18.8179 18.8179 19.0949 19.0949 19.8401 19.8401 20.5444 20.5444 20.8771 20.8771 21.6083 21.6083 21.6513 21.6513 23.4979 23.4979 23.7832 23.7832 24.3908 24.3908 24.5536 24.5536 25.4763 25.4763 k = 0.0000 0.1923-0.0000 ( 3030 PWs) bands (ev): -57.8948 -57.8948 -57.8463 -57.8463 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5494 -28.5494 -28.4096 -28.4096 -24.8993 -24.8993 -24.7131 -24.7131 -24.6961 -24.6961 -24.4344 -24.4344 -24.4333 -24.4333 -24.4253 -24.4253 -15.9915 -15.9915 -8.2553 -8.2553 -8.2418 -8.2418 9.7958 9.7958 14.0444 14.0444 15.4675 15.4675 15.4913 15.4913 15.4940 15.4940 15.5447 15.5447 15.6378 15.6378 17.1862 17.1862 17.8970 17.8970 18.1209 18.1209 18.2218 18.2218 18.7545 18.7545 18.7888 18.7888 19.0949 19.0949 19.8099 19.8099 20.5048 20.5048 20.8777 20.8777 21.6737 21.6737 21.7154 21.7154 23.4719 23.4719 23.7608 23.7608 24.3162 24.3162 24.4583 24.4583 25.4666 25.4666 k = 0.0000 0.2051-0.0000 ( 3030 PWs) bands (ev): -57.8942 -57.8942 -57.8469 -57.8469 -57.8417 -57.8417 -41.7014 -41.7014 -28.5625 -28.5625 -28.5476 -28.5476 -28.4113 -28.4113 -24.8968 -24.8968 -24.7144 -24.7144 -24.6952 -24.6952 -24.4357 -24.4357 -24.4343 -24.4343 -24.4253 -24.4253 -15.9920 -15.9920 -8.2572 -8.2572 -8.2422 -8.2422 9.8377 9.8377 14.0905 14.0905 15.4888 15.4888 15.5164 15.5164 15.5189 15.5189 15.5725 15.5725 15.6803 15.6803 17.0429 17.0429 17.8679 17.8679 18.0997 18.0997 18.1853 18.1853 18.7123 18.7123 18.7682 18.7682 19.0953 19.0953 19.7728 19.7728 20.4629 20.4629 20.8783 20.8783 21.7355 21.7355 21.7766 21.7766 23.4453 23.4453 23.7302 23.7302 24.2478 24.2478 24.3658 24.3658 25.4571 25.4571 k = 0.0000 0.2179-0.0000 ( 3038 PWs) bands (ev): -57.8936 -57.8936 -57.8475 -57.8475 -57.8418 -57.8418 -41.7015 -41.7015 -28.5624 -28.5624 -28.5458 -28.5458 -28.4130 -28.4130 -24.8942 -24.8942 -24.7158 -24.7158 -24.6943 -24.6943 -24.4370 -24.4370 -24.4354 -24.4354 -24.4253 -24.4253 -15.9925 -15.9925 -8.2593 -8.2593 -8.2426 -8.2426 9.8816 9.8816 14.1384 14.1384 15.5110 15.5110 15.5429 15.5429 15.5449 15.5449 15.6008 15.6008 15.7247 15.7247 16.9015 16.9015 17.8372 17.8372 18.0711 18.0711 18.1412 18.1412 18.6792 18.6792 18.7563 18.7563 19.0959 19.0959 19.7300 19.7300 20.4189 20.4189 20.8786 20.8786 21.7928 21.7928 21.8338 21.8338 23.4180 23.4180 23.6926 23.6926 24.1850 24.1850 24.2772 24.2772 25.4477 25.4477 k = 0.0000 0.2308-0.0000 ( 3046 PWs) bands (ev): -57.8930 -57.8930 -57.8482 -57.8482 -57.8417 -57.8417 -41.7015 -41.7015 -28.5624 -28.5624 -28.5439 -28.5439 -28.4149 -28.4149 -24.8915 -24.8915 -24.7173 -24.7173 -24.6933 -24.6933 -24.4382 -24.4382 -24.4365 -24.4365 -24.4254 -24.4254 -15.9930 -15.9930 -8.2614 -8.2614 -8.2430 -8.2430 9.9274 9.9274 14.1878 14.1878 15.5342 15.5342 15.5706 15.5706 15.5720 15.5720 15.6296 15.6296 15.7712 15.7712 16.7627 16.7627 17.8050 17.8050 18.0344 18.0344 18.0906 18.0906 18.6552 18.6552 18.7521 18.7521 19.0964 19.0964 19.6820 19.6820 20.3730 20.3730 20.8790 20.8790 21.8448 21.8448 21.8866 21.8866 23.3905 23.3905 23.6498 23.6498 24.1269 24.1269 24.1932 24.1932 25.4386 25.4386 k = 0.0000 0.2436-0.0000 ( 3042 PWs) bands (ev): -57.8924 -57.8924 -57.8488 -57.8488 -57.8417 -57.8417 -41.7015 -41.7015 -28.5624 -28.5624 -28.5419 -28.5419 -28.4168 -28.4168 -24.8887 -24.8887 -24.7188 -24.7188 -24.6923 -24.6923 -24.4396 -24.4396 -24.4376 -24.4376 -24.4254 -24.4254 -15.9936 -15.9936 -8.2634 -8.2634 -8.2435 -8.2435 9.9748 9.9748 14.2383 14.2383 15.5583 15.5583 15.5998 15.5998 15.5999 15.5999 15.6581 15.6581 15.8194 15.8194 16.6277 16.6277 17.7717 17.7717 17.9904 17.9904 18.0350 18.0350 18.6399 18.6399 18.7546 18.7546 19.0970 19.0970 19.6295 19.6295 20.3257 20.3257 20.8794 20.8794 21.8907 21.8907 21.9340 21.9340 23.3629 23.3629 23.6041 23.6041 24.0723 24.0723 24.1149 24.1149 25.4297 25.4297 k = 0.0000 0.2564-0.0000 ( 3042 PWs) bands (ev): -57.8917 -57.8917 -57.8495 -57.8495 -57.8417 -57.8417 -41.7015 -41.7015 -28.5624 -28.5624 -28.5398 -28.5398 -28.4187 -28.4187 -24.8858 -24.8858 -24.7205 -24.7205 -24.6913 -24.6913 -24.4409 -24.4409 -24.4387 -24.4387 -24.4254 -24.4254 -15.9941 -15.9941 -8.2655 -8.2655 -8.2439 -8.2439 10.0238 10.0238 14.2896 14.2896 15.5832 15.5832 15.6283 15.6283 15.6303 15.6303 15.6864 15.6864 15.8693 15.8693 16.4973 16.4973 17.7373 17.7373 17.9399 17.9399 17.9754 17.9754 18.6320 18.6320 18.7623 18.7623 19.0972 19.0972 19.5735 19.5735 20.2768 20.2768 20.8798 20.8798 21.9294 21.9294 21.9753 21.9753 23.3353 23.3353 23.5580 23.5580 24.0202 24.0202 24.0430 24.0430 25.4210 25.4210 k = 0.0000 0.2692-0.0000 ( 3042 PWs) bands (ev): -57.8910 -57.8910 -57.8503 -57.8503 -57.8417 -57.8417 -41.7015 -41.7015 -28.5623 -28.5623 -28.5377 -28.5377 -28.4207 -28.4207 -24.8828 -24.8828 -24.7222 -24.7222 -24.6904 -24.6904 -24.4421 -24.4421 -24.4399 -24.4399 -24.4255 -24.4255 -15.9946 -15.9946 -8.2676 -8.2676 -8.2443 -8.2443 10.0741 10.0741 14.3411 14.3411 15.6088 15.6088 15.6565 15.6565 15.6619 15.6619 15.7139 15.7139 15.9205 15.9205 16.3733 16.3733 17.7020 17.7020 17.8844 17.8844 17.9132 17.9132 18.6302 18.6302 18.7741 18.7741 19.0972 19.0972 19.5149 19.5149 20.2269 20.2269 20.8802 20.8802 21.9604 21.9604 22.0098 22.0098 23.3081 23.3081 23.5134 23.5134 23.9700 23.9700 23.9782 23.9782 25.4125 25.4125 k = 0.0000 0.2821-0.0000 ( 3034 PWs) bands (ev): -57.8902 -57.8902 -57.8510 -57.8510 -57.8417 -57.8417 -41.7015 -41.7015 -28.5623 -28.5623 -28.5356 -28.5356 -28.4228 -28.4228 -24.8798 -24.8798 -24.7239 -24.7239 -24.6894 -24.6894 -24.4434 -24.4434 -24.4410 -24.4410 -24.4255 -24.4255 -15.9951 -15.9951 -8.2697 -8.2697 -8.2447 -8.2447 10.1254 10.1254 14.3921 14.3921 15.6349 15.6349 15.6829 15.6829 15.6948 15.6948 15.7403 15.7403 15.9728 15.9728 16.2580 16.2580 17.6660 17.6660 17.8252 17.8252 17.8493 17.8493 18.6327 18.6327 18.7891 18.7891 19.0966 19.0966 19.4544 19.4544 20.1763 20.1763 20.8806 20.8806 21.9828 21.9828 22.0369 22.0369 23.2815 23.2815 23.4717 23.4717 23.9213 23.9213 23.9217 23.9217 25.4044 25.4044 k = 0.0000 0.2949-0.0000 ( 3042 PWs) bands (ev): -57.8895 -57.8895 -57.8517 -57.8517 -57.8417 -57.8417 -41.7015 -41.7015 -28.5623 -28.5623 -28.5333 -28.5333 -28.4249 -28.4249 -24.8768 -24.8768 -24.7257 -24.7257 -24.6884 -24.6884 -24.4447 -24.4447 -24.4421 -24.4421 -24.4255 -24.4255 -15.9956 -15.9956 -8.2717 -8.2717 -8.2451 -8.2451 10.1774 10.1774 14.4417 14.4417 15.6616 15.6616 15.7035 15.7035 15.7287 15.7287 15.7662 15.7662 16.0259 16.0259 16.1552 16.1552 17.6294 17.6294 17.7635 17.7635 17.7846 17.7846 18.6381 18.6381 18.8064 18.8064 19.0955 19.0955 19.3933 19.3933 20.1252 20.1252 20.8809 20.8809 21.9965 21.9965 22.0561 22.0561 23.2557 23.2557 23.4336 23.4336 23.8727 23.8727 23.8757 23.8757 25.3965 25.3965 k = 0.0000 0.3077-0.0000 ( 3046 PWs) bands (ev): -57.8887 -57.8887 -57.8525 -57.8525 -57.8417 -57.8417 -41.7015 -41.7015 -28.5623 -28.5623 -28.5311 -28.5311 -28.4271 -28.4271 -24.8737 -24.8737 -24.7276 -24.7276 -24.6874 -24.6874 -24.4459 -24.4459 -24.4432 -24.4432 -24.4256 -24.4256 -15.9961 -15.9961 -8.2737 -8.2737 -8.2455 -8.2455 10.2300 10.2300 14.4889 14.4889 15.6886 15.6886 15.7111 15.7111 15.7636 15.7636 15.7935 15.7935 16.0714 16.0714 16.0797 16.0797 17.5923 17.5923 17.7002 17.7002 17.7198 17.7198 18.6450 18.6450 18.8251 18.8251 19.0938 19.0938 19.3325 19.3325 20.0744 20.0744 20.8812 20.8812 22.0013 22.0013 22.0672 22.0672 23.2308 23.2308 23.3993 23.3993 23.8326 23.8326 23.8330 23.8330 25.3890 25.3890 k = 0.0000 0.3205-0.0000 ( 3038 PWs) bands (ev): -57.8879 -57.8879 -57.8533 -57.8533 -57.8417 -57.8417 -41.7015 -41.7015 -28.5622 -28.5622 -28.5288 -28.5288 -28.4293 -28.4293 -24.8707 -24.8707 -24.7295 -24.7295 -24.6865 -24.6865 -24.4471 -24.4471 -24.4443 -24.4443 -24.4256 -24.4256 -15.9965 -15.9965 -8.2756 -8.2756 -8.2459 -8.2459 10.2826 10.2826 14.5324 14.5324 15.6974 15.6974 15.7157 15.7157 15.7995 15.7995 15.8237 15.8237 16.0144 16.0144 16.1337 16.1337 17.5546 17.5546 17.6363 17.6363 17.6558 17.6558 18.6520 18.6520 18.8447 18.8447 19.0915 19.0915 19.2734 19.2734 20.0245 20.0245 20.8816 20.8816 21.9980 21.9980 22.0706 22.0706 23.2070 23.2070 23.3679 23.3679 23.7946 23.7946 23.8010 23.8010 25.3818 25.3818 k = 0.0000 0.3333-0.0000 ( 3038 PWs) bands (ev): -57.8872 -57.8872 -57.8541 -57.8541 -57.8417 -57.8417 -41.7015 -41.7015 -28.5622 -28.5622 -28.5265 -28.5265 -28.4315 -28.4315 -24.8676 -24.8676 -24.7314 -24.7314 -24.6855 -24.6855 -24.4483 -24.4483 -24.4454 -24.4454 -24.4256 -24.4256 -15.9970 -15.9970 -8.2775 -8.2775 -8.2463 -8.2463 10.3350 10.3350 14.5704 14.5704 15.6615 15.6615 15.7429 15.7429 15.8360 15.8360 15.8564 15.8564 15.9868 15.9868 16.1875 16.1875 17.5161 17.5161 17.5721 17.5721 17.5935 17.5935 18.6577 18.6577 18.8645 18.8645 19.0887 19.0887 19.2174 19.2174 19.9757 19.9757 20.8819 20.8819 21.9872 21.9872 22.0666 22.0666 23.1844 23.1844 23.3383 23.3383 23.7618 23.7618 23.7775 23.7775 25.3751 25.3751 k = 0.0000 0.3462-0.0000 ( 3038 PWs) bands (ev): -57.8864 -57.8864 -57.8548 -57.8548 -57.8417 -57.8417 -41.7015 -41.7015 -28.5622 -28.5622 -28.5242 -28.5242 -28.4337 -28.4337 -24.8646 -24.8646 -24.7334 -24.7334 -24.6847 -24.6847 -24.4494 -24.4494 -24.4464 -24.4464 -24.4256 -24.4256 -15.9974 -15.9974 -8.2792 -8.2792 -8.2467 -8.2467 10.3868 10.3868 14.6010 14.6010 15.6139 15.6139 15.7698 15.7698 15.8731 15.8731 15.8905 15.8905 15.9808 15.9808 16.2408 16.2408 17.4755 17.4755 17.5084 17.5084 17.5347 17.5347 18.6606 18.6606 18.8837 18.8837 19.0854 19.0854 19.1662 19.1662 19.9288 19.9288 20.8822 20.8822 21.9701 21.9701 22.0562 22.0562 23.1631 23.1631 23.3093 23.3093 23.7357 23.7357 23.7614 23.7614 25.3687 25.3687 k = 0.0000 0.3590-0.0000 ( 3038 PWs) bands (ev): -57.8856 -57.8856 -57.8556 -57.8556 -57.8417 -57.8417 -41.7015 -41.7015 -28.5622 -28.5622 -28.5220 -28.5220 -28.4359 -28.4359 -24.8616 -24.8616 -24.7353 -24.7353 -24.6838 -24.6838 -24.4505 -24.4505 -24.4473 -24.4473 -24.4257 -24.4257 -15.9978 -15.9978 -8.2809 -8.2809 -8.2470 -8.2470 10.4374 10.4374 14.6221 14.6221 15.5674 15.5674 15.7963 15.7963 15.9106 15.9106 15.9244 15.9244 15.9869 15.9869 16.2931 16.2931 17.4303 17.4303 17.4456 17.4456 17.4828 17.4828 18.6591 18.6591 18.9016 18.9016 19.0820 19.0820 19.1216 19.1216 19.8842 19.8842 20.8825 20.8825 21.9481 21.9481 22.0402 22.0402 23.1431 23.1431 23.2797 23.2797 23.7169 23.7169 23.7519 23.7519 25.3627 25.3627 k = 0.0000 0.3718-0.0000 ( 3034 PWs) bands (ev): -57.8849 -57.8849 -57.8563 -57.8563 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5197 -28.5197 -28.4381 -28.4381 -24.8588 -24.8588 -24.7372 -24.7372 -24.6830 -24.6830 -24.4514 -24.4514 -24.4482 -24.4482 -24.4257 -24.4257 -15.9982 -15.9982 -8.2824 -8.2824 -8.2473 -8.2473 10.4865 10.4865 14.6320 14.6320 15.5302 15.5302 15.8223 15.8223 15.9483 15.9483 15.9553 15.9553 16.0010 16.0010 16.3439 16.3439 17.3792 17.3792 17.3841 17.3841 17.4396 17.4396 18.6521 18.6521 18.9171 18.9171 19.0792 19.0792 19.0851 19.0851 19.8427 19.8427 20.8828 20.8828 21.9227 21.9227 22.0202 22.0202 23.1245 23.1245 23.2492 23.2492 23.7051 23.7051 23.7478 23.7478 25.3573 25.3573 k = 0.0000 0.3846-0.0000 ( 3042 PWs) bands (ev): -57.8841 -57.8841 -57.8571 -57.8571 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5175 -28.5175 -28.4402 -28.4402 -24.8561 -24.8561 -24.7391 -24.7391 -24.6823 -24.6823 -24.4523 -24.4523 -24.4491 -24.4491 -24.4257 -24.4257 -15.9986 -15.9986 -8.2839 -8.2839 -8.2476 -8.2476 10.5334 10.5334 14.6299 14.6299 15.5064 15.5064 15.8472 15.8472 15.9780 15.9780 15.9858 15.9858 16.0241 16.0241 16.3927 16.3927 17.3244 17.3244 17.3249 17.3249 17.4031 17.4031 18.6388 18.6388 18.9291 18.9291 19.0576 19.0576 19.0775 19.0775 19.8045 19.8045 20.8830 20.8830 21.8951 21.8951 21.9972 21.9972 23.1074 23.1074 23.2179 23.2179 23.6997 23.6997 23.7481 23.7481 25.3522 25.3522 k = 0.0000 0.3974-0.0000 ( 3042 PWs) bands (ev): -57.8834 -57.8834 -57.8578 -57.8578 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5154 -28.5154 -28.4422 -28.4422 -24.8535 -24.8535 -24.7409 -24.7409 -24.6816 -24.6816 -24.4532 -24.4532 -24.4499 -24.4499 -24.4257 -24.4257 -15.9989 -15.9989 -8.2852 -8.2852 -8.2479 -8.2479 10.5776 10.5776 14.6170 14.6170 15.4968 15.4968 15.8707 15.8707 15.9916 15.9916 16.0228 16.0228 16.0553 16.0553 16.4388 16.4388 17.2672 17.2672 17.2709 17.2709 17.3709 17.3709 18.6196 18.6196 18.9368 18.9368 19.0391 19.0391 19.0781 19.0781 19.7703 19.7703 20.8833 20.8833 21.8669 21.8669 21.9727 21.9727 23.0918 23.0918 23.1867 23.1867 23.6993 23.6993 23.7517 23.7517 25.3477 25.3477 k = 0.0000 0.4103-0.0000 ( 3034 PWs) bands (ev): -57.8827 -57.8827 -57.8585 -57.8585 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5134 -28.5134 -28.4441 -28.4441 -24.8511 -24.8511 -24.7425 -24.7425 -24.6810 -24.6810 -24.4539 -24.4539 -24.4506 -24.4506 -24.4258 -24.4258 -15.9992 -15.9992 -8.2863 -8.2863 -8.2481 -8.2481 10.6186 10.6186 14.5955 14.5955 15.4997 15.4997 15.8928 15.8928 15.9996 15.9996 16.0588 16.0588 16.0894 16.0894 16.4817 16.4817 17.2130 17.2130 17.2189 17.2189 17.3422 17.3422 18.5964 18.5964 18.9395 18.9395 19.0284 19.0284 19.0812 19.0812 19.7402 19.7402 20.8835 20.8835 21.8391 21.8391 21.9479 21.9479 23.0779 23.0779 23.1564 23.1564 23.7025 23.7025 23.7573 23.7573 25.3437 25.3437 k = 0.0000 0.4231-0.0000 ( 3034 PWs) bands (ev): -57.8821 -57.8821 -57.8591 -57.8591 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5116 -28.5116 -28.4460 -28.4460 -24.8489 -24.8489 -24.7441 -24.7441 -24.6804 -24.6804 -24.4545 -24.4545 -24.4512 -24.4512 -24.4258 -24.4258 -15.9994 -15.9994 -8.2873 -8.2873 -8.2484 -8.2484 10.6558 10.6558 14.5688 14.5688 15.5120 15.5120 15.9129 15.9129 16.0040 16.0040 16.0931 16.0931 16.1234 16.1234 16.5208 16.5208 17.1624 17.1624 17.1701 17.1701 17.3167 17.3167 18.5711 18.5711 18.9377 18.9377 19.0234 19.0234 19.0864 19.0864 19.7144 19.7144 20.8837 20.8837 21.8130 21.8130 21.9240 21.9240 23.0655 23.0655 23.1280 23.1280 23.7080 23.7080 23.7642 23.7642 25.3402 25.3402 k = 0.0000 0.4359-0.0000 ( 3034 PWs) bands (ev): -57.8815 -57.8815 -57.8597 -57.8597 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5099 -28.5099 -28.4476 -28.4476 -24.8469 -24.8469 -24.7455 -24.7455 -24.6800 -24.6800 -24.4551 -24.4551 -24.4517 -24.4517 -24.4258 -24.4258 -15.9997 -15.9997 -8.2882 -8.2882 -8.2485 -8.2485 10.6884 10.6884 14.5405 14.5405 15.5300 15.5300 15.9308 15.9308 16.0054 16.0054 16.1249 16.1249 16.1558 16.1558 16.5553 16.5553 17.1164 17.1164 17.1256 17.1256 17.2945 17.2945 18.5460 18.5460 18.9328 18.9328 19.0222 19.0222 19.0929 19.0929 19.6930 19.6930 20.8839 20.8839 21.7893 21.7893 21.9019 21.9019 23.0550 23.0550 23.1025 23.1025 23.7145 23.7145 23.7714 23.7714 25.3372 25.3372 k = 0.0000 0.4487-0.0000 ( 3034 PWs) bands (ev): -57.8810 -57.8810 -57.8602 -57.8602 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5084 -28.5084 -28.4490 -28.4490 -24.8453 -24.8453 -24.7467 -24.7467 -24.6796 -24.6796 -24.4556 -24.4556 -24.4522 -24.4522 -24.4258 -24.4258 -15.9998 -15.9998 -8.2890 -8.2890 -8.2487 -8.2487 10.7160 10.7160 14.5134 14.5134 15.5505 15.5505 15.9460 15.9460 16.0045 16.0045 16.1534 16.1534 16.1853 16.1853 16.5847 16.5847 17.0759 17.0759 17.0865 17.0865 17.2759 17.2759 18.5230 18.5230 18.9264 18.9264 19.0232 19.0232 19.0997 19.0997 19.6759 19.6759 20.8840 20.8840 21.7688 21.7688 21.8827 21.8827 23.0464 23.0464 23.0806 23.0806 23.7210 23.7210 23.7782 23.7782 25.3347 25.3347 k = 0.0000 0.4615-0.0000 ( 3038 PWs) bands (ev): -57.8806 -57.8806 -57.8606 -57.8606 -57.8417 -57.8417 -41.7015 -41.7015 -28.5621 -28.5621 -28.5072 -28.5072 -28.4502 -28.4502 -24.8439 -24.8439 -24.7477 -24.7477 -24.6793 -24.6793 -24.4560 -24.4560 -24.4525 -24.4525 -24.4258 -24.4258 -16.0000 -16.0000 -8.2896 -8.2896 -8.2488 -8.2488 10.7381 10.7381 14.4900 14.4900 15.5704 15.5704 15.9581 15.9581 16.0022 16.0022 16.1774 16.1774 16.2105 16.2105 16.6083 16.6083 17.0424 17.0424 17.0541 17.0541 17.2612 17.2612 18.5037 18.5037 18.9198 18.9198 19.0250 19.0250 19.1056 19.1056 19.6628 19.6628 20.8844 20.8844 21.7522 21.7522 21.8668 21.8668 23.0395 23.0395 23.0629 23.0629 23.7268 23.7268 23.7840 23.7840 25.3329 25.3329 k = 0.0000 0.4744-0.0000 ( 3026 PWs) bands (ev): -57.8804 -57.8804 -57.8609 -57.8609 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5063 -28.5063 -28.4511 -28.4511 -24.8430 -24.8430 -24.7484 -24.7484 -24.6790 -24.6790 -24.4562 -24.4562 -24.4528 -24.4528 -24.4258 -24.4258 -16.0001 -16.0001 -8.2899 -8.2899 -8.2489 -8.2489 10.7542 10.7542 14.4721 14.4721 15.5869 15.5869 15.9671 15.9671 15.9994 15.9994 16.1957 16.1957 16.2299 16.2299 16.6257 16.6257 17.0172 17.0172 17.0298 17.0298 17.2505 17.2505 18.4891 18.4891 18.9145 18.9145 19.0270 19.0270 19.1104 19.1104 19.6538 19.6538 20.8845 20.8845 21.7401 21.7401 21.8552 21.8552 23.0347 23.0347 23.0500 23.0500 23.7315 23.7315 23.7886 23.7886 25.3315 25.3315 k = 0.0000 0.4872-0.0000 ( 3026 PWs) bands (ev): -57.8802 -57.8802 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5058 -28.5058 -28.4516 -28.4516 -24.8424 -24.8424 -24.7488 -24.7488 -24.6789 -24.6789 -24.4564 -24.4564 -24.4529 -24.4529 -24.4258 -24.4258 -16.0001 -16.0001 -8.2902 -8.2902 -8.2489 -8.2489 10.7640 10.7640 14.4609 14.4609 15.5978 15.5978 15.9726 15.9726 15.9972 15.9972 16.2072 16.2072 16.2422 16.2422 16.6364 16.6364 17.0012 17.0012 17.0144 17.0144 17.2440 17.2440 18.4801 18.4801 18.9108 18.9108 19.0284 19.0284 19.1134 19.1134 19.6484 19.6484 20.8845 20.8845 21.7326 21.7326 21.8480 21.8480 23.0317 23.0317 23.0421 23.0421 23.7344 23.7344 23.7914 23.7914 25.3307 25.3307 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8801 -57.8801 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5056 -28.5056 -28.4518 -28.4518 -24.8422 -24.8422 -24.7489 -24.7489 -24.6788 -24.6788 -24.4564 -24.4564 -24.4530 -24.4530 -24.4258 -24.4258 -16.0002 -16.0002 -8.2903 -8.2903 -8.2490 -8.2490 10.7673 10.7673 14.4571 14.4571 15.6016 15.6016 15.9744 15.9744 15.9963 15.9963 16.2112 16.2112 16.2465 16.2465 16.6400 16.6400 16.9958 16.9958 17.0092 17.0092 17.2418 17.2418 18.4771 18.4771 18.9096 18.9096 19.0289 19.0289 19.1145 19.1145 19.6467 19.6467 20.8846 20.8846 21.7301 21.7301 21.8456 21.8456 23.0307 23.0307 23.0395 23.0395 23.7354 23.7354 23.7924 23.7924 25.3304 25.3304 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8801 -57.8801 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5056 -28.5056 -28.4518 -28.4518 -24.8422 -24.8422 -24.7489 -24.7489 -24.6788 -24.6788 -24.4564 -24.4564 -24.4530 -24.4530 -24.4258 -24.4258 -16.0002 -16.0002 -8.2903 -8.2903 -8.2490 -8.2490 10.7673 10.7673 14.4571 14.4571 15.6016 15.6016 15.9744 15.9744 15.9963 15.9963 16.2112 16.2112 16.2465 16.2465 16.6400 16.6400 16.9958 16.9958 17.0092 17.0092 17.2418 17.2418 18.4771 18.4771 18.9096 18.9096 19.0289 19.0289 19.1145 19.1145 19.6467 19.6467 20.8846 20.8846 21.7301 21.7301 21.8456 21.8456 23.0307 23.0307 23.0395 23.0395 23.7354 23.7354 23.7924 23.7924 25.3304 25.3304 k = 0.0128 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8801 -57.8801 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5056 -28.5056 -28.4518 -28.4518 -24.8421 -24.8421 -24.7489 -24.7489 -24.6788 -24.6788 -24.4574 -24.4574 -24.4521 -24.4521 -24.4257 -24.4257 -16.0002 -16.0002 -8.2903 -8.2903 -8.2490 -8.2490 10.7687 10.7687 14.4566 14.4566 15.6018 15.6018 15.9706 15.9706 15.9976 15.9976 16.2121 16.2121 16.2471 16.2471 16.6409 16.6409 16.9968 16.9968 17.0103 17.0103 17.2422 17.2422 18.4762 18.4762 18.9068 18.9068 19.0286 19.0286 19.1144 19.1144 19.6465 19.6465 20.8790 20.8790 21.7326 21.7326 21.8479 21.8479 23.0297 23.0297 23.0413 23.0413 23.7368 23.7368 23.7938 23.7938 25.3232 25.3232 k = 0.0256 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8800 -57.8800 -57.8611 -57.8611 -57.8417 -57.8417 -41.7015 -41.7015 -28.5619 -28.5619 -28.5056 -28.5056 -28.4520 -28.4520 -24.8420 -24.8420 -24.7489 -24.7489 -24.6789 -24.6789 -24.4592 -24.4592 -24.4506 -24.4506 -24.4255 -24.4255 -16.0002 -16.0002 -8.2902 -8.2902 -8.2491 -8.2491 10.7729 10.7729 14.4551 14.4551 15.6025 15.6025 15.9599 15.9599 16.0013 16.0013 16.2107 16.2107 16.2523 16.2523 16.6437 16.6437 16.9991 16.9991 17.0140 17.0140 17.2433 17.2433 18.4738 18.4738 18.8985 18.8985 19.0277 19.0277 19.1141 19.1141 19.6459 19.6459 20.8625 20.8625 21.7396 21.7396 21.8550 21.8550 23.0265 23.0265 23.0471 23.0471 23.7411 23.7411 23.7980 23.7980 25.3018 25.3018 k = 0.0385 0.5000-0.0000 ( 3024 PWs) bands (ev): -57.8799 -57.8799 -57.8611 -57.8611 -57.8417 -57.8417 -41.7015 -41.7015 -28.5617 -28.5617 -28.5056 -28.5056 -28.4522 -28.4522 -24.8419 -24.8419 -24.7489 -24.7489 -24.6790 -24.6790 -24.4612 -24.4612 -24.4490 -24.4490 -24.4252 -24.4252 -16.0002 -16.0002 -8.2902 -8.2902 -8.2493 -8.2493 10.7799 10.7799 14.4526 14.4526 15.6039 15.6039 15.9440 15.9440 16.0077 16.0077 16.2015 16.2015 16.2661 16.2661 16.6485 16.6485 17.0018 17.0018 17.0211 17.0211 17.2452 17.2452 18.4697 18.4697 18.8848 18.8848 19.0262 19.0262 19.1139 19.1139 19.6450 19.6450 20.8362 20.8362 21.7497 21.7497 21.8672 21.8672 23.0210 23.0210 23.0569 23.0569 23.7481 23.7481 23.8052 23.8052 25.2668 25.2668 k = 0.0513 0.5000-0.0000 ( 3022 PWs) bands (ev): -57.8798 -57.8798 -57.8611 -57.8611 -57.8419 -57.8419 -41.7015 -41.7015 -28.5614 -28.5614 -28.5057 -28.5057 -28.4525 -28.4525 -24.8417 -24.8417 -24.7488 -24.7488 -24.6791 -24.6791 -24.4632 -24.4632 -24.4476 -24.4476 -24.4246 -24.4246 -16.0002 -16.0002 -8.2902 -8.2902 -8.2496 -8.2496 10.7897 10.7897 14.4489 14.4489 15.6060 15.6060 15.9244 15.9244 16.0165 16.0165 16.1846 16.1846 16.2867 16.2867 16.6552 16.6552 17.0046 17.0046 17.0317 17.0317 17.2478 17.2478 18.4639 18.4639 18.8657 18.8657 19.0243 19.0243 19.1137 19.1137 19.6435 19.6435 20.8013 20.8013 21.7612 21.7612 21.8848 21.8848 23.0131 23.0131 23.0705 23.0705 23.7577 23.7577 23.8157 23.8157 25.2192 25.2192 k = 0.0641 0.5000-0.0000 ( 3018 PWs) bands (ev): -57.8796 -57.8796 -57.8611 -57.8611 -57.8420 -57.8420 -41.7015 -41.7015 -28.5610 -28.5610 -28.5057 -28.5057 -28.4528 -28.4528 -24.8414 -24.8414 -24.7488 -24.7488 -24.6792 -24.6792 -24.4654 -24.4654 -24.4464 -24.4464 -24.4239 -24.4239 -16.0002 -16.0002 -8.2901 -8.2901 -8.2500 -8.2500 10.8023 10.8023 14.4441 14.4441 15.6091 15.6091 15.9026 15.9026 16.0279 16.0279 16.1614 16.1614 16.3117 16.3117 16.6641 16.6641 17.0075 17.0075 17.0453 17.0453 17.2512 17.2512 18.4564 18.4564 18.8415 18.8415 19.0220 19.0220 19.1138 19.1138 19.6415 19.6415 20.7595 20.7595 21.7726 21.7726 21.9077 21.9077 23.0030 23.0030 23.0877 23.0877 23.7697 23.7697 23.8296 23.8296 25.1604 25.1604 k = 0.0769 0.5000-0.0000 ( 3020 PWs) bands (ev): -57.8794 -57.8794 -57.8611 -57.8611 -57.8422 -57.8422 -41.7015 -41.7015 -28.5606 -28.5606 -28.5057 -28.5057 -28.4533 -28.4533 -24.8411 -24.8411 -24.7487 -24.7487 -24.6794 -24.6794 -24.4675 -24.4675 -24.4453 -24.4453 -24.4230 -24.4230 -16.0003 -16.0003 -8.2901 -8.2901 -8.2504 -8.2504 10.8176 10.8176 14.4379 14.4379 15.6135 15.6135 15.8792 15.8792 16.0417 16.0417 16.1327 16.1327 16.3393 16.3393 16.6751 16.6751 17.0106 17.0106 17.0614 17.0614 17.2552 17.2552 18.4471 18.4471 18.8125 18.8125 19.0194 19.0194 19.1140 19.1140 19.6389 19.6389 20.7119 20.7119 21.7835 21.7835 21.9349 21.9349 22.9906 22.9906 23.1084 23.1084 23.7839 23.7839 23.8471 23.8471 25.0917 25.0917 k = 0.0897 0.5000-0.0000 ( 3024 PWs) bands (ev): -57.8793 -57.8793 -57.8611 -57.8611 -57.8424 -57.8424 -41.7015 -41.7015 -28.5601 -28.5601 -28.5058 -28.5058 -28.4539 -28.4539 -24.8407 -24.8407 -24.7486 -24.7486 -24.6796 -24.6796 -24.4696 -24.4696 -24.4445 -24.4445 -24.4219 -24.4219 -16.0003 -16.0003 -8.2900 -8.2900 -8.2509 -8.2509 10.8357 10.8357 14.4304 14.4304 15.6195 15.6195 15.8550 15.8550 16.0577 16.0577 16.0991 16.0991 16.3687 16.3687 16.6884 16.6884 17.0141 17.0141 17.0794 17.0794 17.2598 17.2598 18.4361 18.4361 18.7791 18.7791 19.0167 19.0167 19.1147 19.1147 19.6354 19.6354 20.6599 20.6599 21.7935 21.7935 21.9653 21.9653 22.9759 22.9759 23.1322 23.1322 23.8002 23.8002 23.8684 23.8684 25.0145 25.0145 k = 0.1026 0.5000-0.0000 ( 3024 PWs) bands (ev): -57.8790 -57.8790 -57.8611 -57.8611 -57.8426 -57.8426 -41.7015 -41.7015 -28.5595 -28.5595 -28.5058 -28.5058 -28.4545 -28.4545 -24.8403 -24.8403 -24.7486 -24.7486 -24.6798 -24.6798 -24.4718 -24.4718 -24.4440 -24.4440 -24.4207 -24.4207 -16.0003 -16.0003 -8.2899 -8.2899 -8.2515 -8.2515 10.8565 10.8565 14.4215 14.4215 15.6273 15.6273 15.8304 15.8304 16.0585 16.0585 16.0783 16.0783 16.3995 16.3995 16.7039 16.7039 17.0182 17.0182 17.0988 17.0988 17.2650 17.2650 18.4232 18.4232 18.7419 18.7419 19.0140 19.0140 19.1159 19.1159 19.6311 19.6311 20.6045 20.6045 21.8029 21.8029 21.9979 21.9979 22.9591 22.9591 23.1590 23.1590 23.8187 23.8187 23.8933 23.8933 24.9302 24.9302 k = 0.1154 0.5000-0.0000 ( 3022 PWs) bands (ev): -57.8788 -57.8788 -57.8611 -57.8611 -57.8429 -57.8429 -41.7015 -41.7015 -28.5588 -28.5588 -28.5059 -28.5059 -28.4552 -28.4552 -24.8398 -24.8398 -24.7485 -24.7485 -24.6801 -24.6801 -24.4739 -24.4739 -24.4436 -24.4436 -24.4192 -24.4192 -16.0004 -16.0004 -8.2898 -8.2898 -8.2522 -8.2522 10.8800 10.8800 14.4110 14.4110 15.6372 15.6372 15.8057 15.8057 16.0160 16.0160 16.0986 16.0986 16.4313 16.4313 16.7218 16.7218 17.0226 17.0226 17.1191 17.1191 17.2708 17.2708 18.4085 18.4085 18.7013 18.7013 19.0117 19.0117 19.1177 19.1177 19.6257 19.6257 20.5463 20.5463 21.8119 21.8119 22.0315 22.0315 22.9401 22.9401 23.1883 23.1883 23.8393 23.8393 23.9216 23.9216 24.8403 24.8403 k = 0.1282 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8785 -57.8785 -57.8611 -57.8611 -57.8432 -57.8432 -41.7015 -41.7015 -28.5581 -28.5581 -28.5059 -28.5059 -28.4560 -28.4560 -24.8392 -24.8392 -24.7484 -24.7484 -24.6803 -24.6803 -24.4760 -24.4760 -24.4435 -24.4435 -24.4176 -24.4176 -16.0005 -16.0005 -8.2897 -8.2897 -8.2529 -8.2529 10.9061 10.9061 14.3990 14.3990 15.6491 15.6491 15.7810 15.7810 15.9685 15.9685 16.1220 16.1220 16.4638 16.4638 16.7420 16.7420 17.0275 17.0275 17.1399 17.1399 17.2770 17.2770 18.3921 18.3921 18.6580 18.6580 19.0096 19.0096 19.1200 19.1200 19.6190 19.6190 20.4861 20.4861 21.8204 21.8204 22.0654 22.0654 22.9190 22.9190 23.2197 23.2197 23.8619 23.8619 23.9532 23.9532 24.7459 24.7459 k = 0.1410 0.5000-0.0000 ( 3020 PWs) bands (ev): -57.8782 -57.8782 -57.8611 -57.8611 -57.8435 -57.8435 -41.7014 -41.7014 -28.5573 -28.5573 -28.5060 -28.5060 -28.4569 -28.4569 -24.8386 -24.8386 -24.7483 -24.7483 -24.6806 -24.6806 -24.4780 -24.4780 -24.4435 -24.4435 -24.4159 -24.4159 -16.0005 -16.0005 -8.2896 -8.2896 -8.2537 -8.2537 10.9350 10.9350 14.3855 14.3855 15.6628 15.6628 15.7565 15.7565 15.9174 15.9174 16.1479 16.1479 16.4969 16.4969 16.7644 16.7644 17.0329 17.0329 17.1605 17.1605 17.2838 17.2838 18.3738 18.3738 18.6125 18.6125 19.0084 19.0084 19.1233 19.1233 19.6108 19.6108 20.4245 20.4245 21.8290 21.8290 22.0990 22.0990 22.8960 22.8960 23.2529 23.2529 23.8866 23.8866 23.9874 23.9874 24.6484 24.6484 k = 0.1538 0.5000-0.0000 ( 3024 PWs) bands (ev): -57.8779 -57.8779 -57.8611 -57.8611 -57.8438 -57.8438 -41.7014 -41.7014 -28.5564 -28.5564 -28.5061 -28.5061 -28.4578 -28.4578 -24.8380 -24.8380 -24.7482 -24.7482 -24.6809 -24.6809 -24.4801 -24.4801 -24.4437 -24.4437 -24.4141 -24.4141 -16.0006 -16.0006 -8.2896 -8.2896 -8.2545 -8.2545 10.9663 10.9663 14.3706 14.3706 15.6771 15.6771 15.7323 15.7323 15.8642 15.8642 16.1761 16.1761 16.5304 16.5304 16.7891 16.7891 17.0387 17.0387 17.1808 17.1808 17.2910 17.2910 18.3536 18.3536 18.5654 18.5654 19.0077 19.0077 19.1271 19.1271 19.6008 19.6008 20.3619 20.3619 21.8375 21.8375 22.1319 22.1319 22.8708 22.8708 23.2873 23.2873 23.9130 23.9130 24.0238 24.0238 24.5491 24.5491 k = 0.1667 0.5000-0.0000 ( 3024 PWs) bands (ev): -57.8775 -57.8775 -57.8611 -57.8611 -57.8442 -57.8442 -41.7014 -41.7014 -28.5554 -28.5554 -28.5061 -28.5061 -28.4589 -28.4589 -24.8373 -24.8373 -24.7482 -24.7482 -24.6812 -24.6812 -24.4820 -24.4820 -24.4441 -24.4441 -24.4122 -24.4122 -16.0006 -16.0006 -8.2895 -8.2895 -8.2553 -8.2553 11.0003 11.0003 14.3542 14.3542 15.6865 15.6865 15.7099 15.7099 15.8134 15.8134 16.2065 16.2065 16.5643 16.5643 16.8159 16.8159 17.0449 17.0449 17.2004 17.2004 17.2986 17.2986 18.3316 18.3316 18.5174 18.5174 19.0079 19.0079 19.1317 19.1317 19.5888 19.5888 20.2987 20.2987 21.8461 21.8461 22.1637 22.1637 22.8438 22.8438 23.3224 23.3224 23.9409 23.9409 24.0611 24.0611 24.4501 24.4501 k = 0.1795 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8771 -57.8771 -57.8611 -57.8611 -57.8446 -57.8446 -41.7014 -41.7014 -28.5544 -28.5544 -28.5062 -28.5062 -28.4600 -28.4600 -24.8366 -24.8366 -24.7481 -24.7481 -24.6815 -24.6815 -24.4839 -24.4839 -24.4445 -24.4445 -24.4104 -24.4104 -16.0007 -16.0007 -8.2894 -8.2894 -8.2562 -8.2562 11.0368 11.0368 14.3366 14.3366 15.6686 15.6686 15.6963 15.6963 15.7806 15.7806 16.2390 16.2390 16.5983 16.5983 16.8448 16.8448 17.0515 17.0515 17.2189 17.2189 17.3066 17.3066 18.3076 18.3076 18.4691 18.4691 19.0090 19.0090 19.1370 19.1370 19.5748 19.5748 20.2352 20.2352 21.8550 21.8550 22.1943 22.1943 22.8151 22.8151 23.3576 23.3576 23.9694 23.9694 24.0964 24.0964 24.3552 24.3552 k = 0.1923 0.5000-0.0000 ( 3032 PWs) bands (ev): -57.8767 -57.8767 -57.8611 -57.8611 -57.8451 -57.8451 -41.7014 -41.7014 -28.5533 -28.5533 -28.5063 -28.5063 -28.4611 -28.4611 -24.8358 -24.8358 -24.7481 -24.7481 -24.6818 -24.6818 -24.4858 -24.4858 -24.4450 -24.4450 -24.4084 -24.4084 -16.0008 -16.0008 -8.2893 -8.2893 -8.2571 -8.2571 11.0757 11.0757 14.3178 14.3178 15.6236 15.6236 15.6739 15.6739 15.7833 15.7833 16.2737 16.2737 16.6325 16.6325 16.8756 16.8756 17.0586 17.0586 17.2362 17.2362 17.3147 17.3147 18.2815 18.2815 18.4214 18.4214 19.0110 19.0110 19.1430 19.1430 19.5585 19.5585 20.1717 20.1717 21.8643 21.8643 22.2235 22.2235 22.7847 22.7847 23.3922 23.3922 23.9964 23.9964 24.1184 24.1184 24.2781 24.2781 k = 0.2051 0.5000-0.0000 ( 3036 PWs) bands (ev): -57.8763 -57.8763 -57.8611 -57.8611 -57.8455 -57.8455 -41.7014 -41.7014 -28.5522 -28.5522 -28.5064 -28.5064 -28.4624 -28.4624 -24.8350 -24.8350 -24.7481 -24.7481 -24.6821 -24.6821 -24.4877 -24.4877 -24.4456 -24.4456 -24.4065 -24.4065 -16.0009 -16.0009 -8.2893 -8.2893 -8.2580 -8.2580 11.1169 11.1169 14.2981 14.2981 15.5611 15.5611 15.6500 15.6500 15.8051 15.8051 16.3104 16.3104 16.6668 16.6668 16.9082 16.9082 17.0661 17.0661 17.2521 17.2521 17.3233 17.3233 18.2530 18.2530 18.3751 18.3751 19.0136 19.0136 19.1498 19.1498 19.5398 19.5398 20.1085 20.1085 21.8741 21.8741 22.2512 22.2512 22.7529 22.7529 23.4255 23.4255 24.0106 24.0106 24.1017 24.1017 24.2554 24.2554 k = 0.2179 0.5000-0.0000 ( 3030 PWs) bands (ev): -57.8758 -57.8758 -57.8611 -57.8611 -57.8460 -57.8460 -41.7014 -41.7014 -28.5510 -28.5510 -28.5065 -28.5065 -28.4636 -28.4636 -24.8342 -24.8342 -24.7481 -24.7481 -24.6824 -24.6824 -24.4894 -24.4894 -24.4462 -24.4462 -24.4047 -24.4047 -16.0009 -16.0009 -8.2892 -8.2892 -8.2589 -8.2589 11.1605 11.1605 14.2776 14.2776 15.4898 15.4898 15.6281 15.6281 15.8339 15.8339 16.3490 16.3490 16.7010 16.7010 16.9424 16.9424 17.0739 17.0739 17.2667 17.2667 17.3321 17.3321 18.2221 18.2221 18.3308 18.3308 19.0169 19.0169 19.1572 19.1572 19.5188 19.5188 20.0458 20.0458 21.8845 21.8845 22.2773 22.2773 22.7199 22.7199 23.4565 23.4565 23.9683 23.9683 24.0952 24.0952 24.2821 24.2821 k = 0.2308 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8753 -57.8753 -57.8611 -57.8611 -57.8465 -57.8465 -41.7013 -41.7013 -28.5497 -28.5497 -28.5065 -28.5065 -28.4650 -28.4650 -24.8333 -24.8333 -24.7481 -24.7481 -24.6827 -24.6827 -24.4911 -24.4911 -24.4469 -24.4469 -24.4028 -24.4028 -16.0010 -16.0010 -8.2892 -8.2892 -8.2598 -8.2598 11.2063 11.2063 14.2566 14.2566 15.4134 15.4134 15.6075 15.6075 15.8666 15.8666 16.3896 16.3896 16.7350 16.7350 16.9781 16.9781 17.0822 17.0822 17.2798 17.2798 17.3410 17.3410 18.1884 18.1884 18.2893 18.2893 19.0205 19.0205 19.1651 19.1651 19.4954 19.4954 19.9838 19.9838 21.8954 21.8954 22.3018 22.3018 22.6860 22.6860 23.4842 23.4842 23.8835 23.8835 24.1195 24.1195 24.3239 24.3239 k = 0.2436 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8747 -57.8747 -57.8611 -57.8611 -57.8470 -57.8470 -41.7013 -41.7013 -28.5484 -28.5484 -28.5066 -28.5066 -28.4664 -28.4664 -24.8324 -24.8324 -24.7482 -24.7482 -24.6830 -24.6830 -24.4927 -24.4927 -24.4477 -24.4477 -24.4010 -24.4010 -16.0011 -16.0011 -8.2892 -8.2892 -8.2607 -8.2607 11.2542 11.2542 14.2351 14.2351 15.3336 15.3336 15.5878 15.5878 15.9019 15.9019 16.4318 16.4318 16.7688 16.7688 17.0147 17.0147 17.0911 17.0911 17.2916 17.2916 17.3499 17.3499 18.1522 18.1522 18.2509 18.2509 19.0243 19.0243 19.1735 19.1735 19.4700 19.4700 19.9227 19.9227 21.9069 21.9069 22.3246 22.3246 22.6514 22.6514 23.5065 23.5065 23.7917 23.7917 24.1505 24.1505 24.3703 24.3703 k = 0.2564 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8742 -57.8742 -57.8611 -57.8611 -57.8476 -57.8476 -41.7013 -41.7013 -28.5470 -28.5470 -28.5067 -28.5067 -28.4678 -28.4678 -24.8315 -24.8315 -24.7482 -24.7482 -24.6833 -24.6833 -24.4943 -24.4943 -24.4484 -24.4484 -24.3992 -24.3992 -16.0012 -16.0012 -8.2892 -8.2892 -8.2616 -8.2616 11.3041 11.3041 14.2134 14.2134 15.2510 15.2510 15.5692 15.5692 15.9394 15.9394 16.4756 16.4756 16.8023 16.8023 17.0515 17.0515 17.1010 17.1010 17.3025 17.3025 17.3586 17.3586 18.1141 18.1141 18.2154 18.2154 19.0277 19.0277 19.1823 19.1823 19.4426 19.4426 19.8629 19.8629 21.9189 21.9189 22.3457 22.3457 22.6165 22.6165 23.5189 23.5189 23.7048 23.7048 24.1828 24.1828 24.4186 24.4186 k = 0.2692 0.5000-0.0000 ( 3028 PWs) bands (ev): -57.8736 -57.8736 -57.8611 -57.8611 -57.8481 -57.8481 -41.7013 -41.7013 -28.5456 -28.5456 -28.5068 -28.5068 -28.4693 -28.4693 -24.8306 -24.8306 -24.7483 -24.7483 -24.6835 -24.6835 -24.4958 -24.4958 -24.4492 -24.4492 -24.3974 -24.3974 -16.0012 -16.0012 -8.2892 -8.2892 -8.2625 -8.2625 11.3559 11.3559 14.1918 14.1918 15.1664 15.1664 15.5514 15.5514 15.9784 15.9784 16.5209 16.5209 16.8353 16.8353 17.0860 17.0860 17.1139 17.1139 17.3127 17.3127 17.3671 17.3671 18.0751 18.0751 18.1822 18.1822 19.0305 19.0305 19.1912 19.1912 19.4138 19.4138 19.8042 19.8042 21.9315 21.9315 22.3650 22.3650 22.5819 22.5819 23.5067 23.5067 23.6387 23.6387 24.2152 24.2152 24.4676 24.4676 k = 0.2821 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8730 -57.8730 -57.8611 -57.8611 -57.8487 -57.8487 -41.7013 -41.7013 -28.5441 -28.5441 -28.5069 -28.5069 -28.4709 -28.4709 -24.8297 -24.8297 -24.7485 -24.7485 -24.6838 -24.6838 -24.4972 -24.4972 -24.4500 -24.4500 -24.3958 -24.3958 -16.0013 -16.0013 -8.2893 -8.2893 -8.2633 -8.2633 11.4093 11.4093 14.1703 14.1703 15.0802 15.0802 15.5345 15.5345 16.0185 16.0185 16.5675 16.5675 16.8678 16.8678 17.1090 17.1090 17.1385 17.1385 17.3230 17.3230 17.3752 17.3752 18.0361 18.0361 18.1507 18.1507 19.0322 19.0322 19.1996 19.1996 19.3842 19.3842 19.7470 19.7470 21.9444 21.9444 22.3822 22.3822 22.5483 22.5483 23.4511 23.4511 23.6129 23.6129 24.2471 24.2471 24.5167 24.5167 k = 0.2949 0.5000-0.0000 ( 3038 PWs) bands (ev): -57.8725 -57.8725 -57.8611 -57.8611 -57.8494 -57.8494 -41.7013 -41.7013 -28.5426 -28.5426 -28.5070 -28.5070 -28.4725 -28.4725 -24.8288 -24.8288 -24.7486 -24.7486 -24.6840 -24.6840 -24.4986 -24.4986 -24.4508 -24.4508 -24.3942 -24.3942 -16.0014 -16.0014 -8.2894 -8.2894 -8.2641 -8.2641 11.4643 11.4643 14.1491 14.1491 14.9929 14.9929 15.5184 15.5184 16.0593 16.0593 16.6152 16.6152 16.8995 16.8995 17.1219 17.1219 17.1725 17.1725 17.3341 17.3341 17.3828 17.3828 17.9977 17.9977 18.1206 18.1206 19.0320 19.0320 19.2067 19.2067 19.3553 19.3553 19.6914 19.6914 21.9574 21.9574 22.3965 22.3965 22.5167 22.5167 23.3716 23.3716 23.6084 23.6084 24.2779 24.2779 24.5652 24.5652 k = 0.3077 0.5000-0.0000 ( 3038 PWs) bands (ev): -57.8718 -57.8718 -57.8611 -57.8611 -57.8500 -57.8500 -41.7012 -41.7012 -28.5411 -28.5411 -28.5071 -28.5071 -28.4741 -28.4741 -24.8278 -24.8278 -24.7488 -24.7488 -24.6842 -24.6842 -24.4998 -24.4998 -24.4516 -24.4516 -24.3926 -24.3926 -16.0015 -16.0015 -8.2895 -8.2895 -8.2648 -8.2648 11.5206 11.5206 14.1284 14.1284 14.9049 14.9049 15.5033 15.5033 16.1005 16.1005 16.6640 16.6640 16.9304 16.9304 17.1326 17.1326 17.2064 17.2064 17.3472 17.3472 17.3901 17.3901 17.9608 17.9608 18.0915 18.0915 19.0297 19.0297 19.2104 19.2104 19.3294 19.3294 19.6376 19.6376 21.9704 21.9704 22.4058 22.4058 22.4898 22.4898 23.2870 23.2870 23.6064 23.6064 24.3074 24.3074 24.6129 24.6129 k = 0.3205 0.5000-0.0000 ( 3038 PWs) bands (ev): -57.8712 -57.8712 -57.8611 -57.8611 -57.8506 -57.8506 -41.7012 -41.7012 -28.5395 -28.5395 -28.5071 -28.5071 -28.4757 -28.4757 -24.8269 -24.8269 -24.7490 -24.7490 -24.6844 -24.6844 -24.5010 -24.5010 -24.4524 -24.4524 -24.3912 -24.3912 -16.0016 -16.0016 -8.2897 -8.2897 -8.2655 -8.2655 11.5780 11.5780 14.1084 14.1084 14.8168 14.8168 15.4892 15.4892 16.1415 16.1415 16.7134 16.7134 16.9602 16.9602 17.1430 17.1430 17.2367 17.2367 17.3638 17.3638 17.3974 17.3974 17.9256 17.9256 18.0635 18.0635 19.0245 19.0245 19.2069 19.2069 19.3110 19.3110 19.5858 19.5858 21.9830 21.9830 22.4050 22.4050 22.4732 22.4732 23.2032 23.2032 23.6020 23.6020 24.3354 24.3354 24.6594 24.6594 k = 0.3333 0.5000-0.0000 ( 3046 PWs) bands (ev): -57.8705 -57.8705 -57.8611 -57.8611 -57.8513 -57.8513 -41.7012 -41.7012 -28.5379 -28.5379 -28.5072 -28.5072 -28.4773 -28.4773 -24.8261 -24.8261 -24.7492 -24.7492 -24.6845 -24.6845 -24.5022 -24.5022 -24.4531 -24.4531 -24.3898 -24.3898 -16.0016 -16.0016 -8.2899 -8.2899 -8.2661 -8.2661 11.6361 11.6361 14.0890 14.0890 14.7291 14.7291 15.4759 15.4759 16.1818 16.1818 16.7633 16.7633 16.9888 16.9888 17.1534 17.1534 17.2611 17.2611 17.3836 17.3836 17.4064 17.4064 17.8923 17.8923 18.0363 18.0363 19.0159 19.0159 19.1928 19.1928 19.3039 19.3039 19.5362 19.5362 21.9950 21.9950 22.3908 22.3908 22.4706 22.4706 23.1219 23.1219 23.5937 23.5937 24.3618 24.3618 24.7043 24.7043 k = 0.3462 0.5000-0.0000 ( 3042 PWs) bands (ev): -57.8698 -57.8698 -57.8611 -57.8611 -57.8520 -57.8520 -41.7012 -41.7012 -28.5363 -28.5363 -28.5073 -28.5073 -28.4790 -28.4790 -24.8252 -24.8252 -24.7495 -24.7495 -24.6847 -24.6847 -24.5032 -24.5032 -24.4538 -24.4538 -24.3885 -24.3885 -16.0017 -16.0017 -8.2900 -8.2900 -8.2667 -8.2667 11.6948 11.6948 14.0705 14.0705 14.6424 14.6424 15.4636 15.4636 16.2212 16.2212 16.8134 16.8134 17.0159 17.0159 17.1642 17.1642 17.2792 17.2792 17.3986 17.3986 17.4253 17.4253 17.8614 17.8614 18.0101 18.0101 19.0035 19.0035 19.1704 19.1704 19.3067 19.3067 19.4891 19.4891 22.0062 22.0062 22.3699 22.3699 22.4761 22.4761 23.0443 23.0443 23.5816 23.5816 24.3863 24.3863 24.7473 24.7473 k = 0.3590 0.5000-0.0000 ( 3046 PWs) bands (ev): -57.8692 -57.8692 -57.8611 -57.8611 -57.8527 -57.8527 -41.7012 -41.7012 -28.5347 -28.5347 -28.5074 -28.5074 -28.4807 -28.4807 -24.8244 -24.8244 -24.7497 -24.7497 -24.6848 -24.6848 -24.5042 -24.5042 -24.4545 -24.4545 -24.3873 -24.3873 -16.0018 -16.0018 -8.2903 -8.2903 -8.2672 -8.2672 11.7534 11.7534 14.0529 14.0529 14.5573 14.5573 15.4522 15.4522 16.2592 16.2592 16.8632 16.8632 17.0413 17.0413 17.1752 17.1752 17.2923 17.2923 17.4057 17.4057 17.4553 17.4553 17.8329 17.8329 17.9850 17.9850 18.9869 18.9869 19.1443 19.1443 19.3149 19.3149 19.4446 19.4446 22.0160 22.0160 22.3483 22.3483 22.4837 22.4837 22.9710 22.9710 23.5662 23.5662 24.4090 24.4090 24.7881 24.7881 k = 0.3718 0.5000-0.0000 ( 3052 PWs) bands (ev): -57.8685 -57.8685 -57.8611 -57.8611 -57.8534 -57.8534 -41.7012 -41.7012 -28.5331 -28.5331 -28.5074 -28.5074 -28.4823 -28.4823 -24.8236 -24.8236 -24.7500 -24.7500 -24.6849 -24.6849 -24.5050 -24.5050 -24.4552 -24.4552 -24.3862 -24.3862 -16.0018 -16.0018 -8.2905 -8.2905 -8.2677 -8.2677 11.8116 11.8116 14.0363 14.0363 14.4746 14.4746 15.4418 15.4418 16.2953 16.2953 16.9122 16.9122 17.0648 17.0648 17.1867 17.1867 17.3022 17.3022 17.4101 17.4101 17.4886 17.4886 17.8070 17.8070 17.9615 17.9615 18.9662 18.9662 19.1178 19.1178 19.3258 19.3258 19.4029 19.4029 22.0243 22.0243 22.3285 22.3285 22.4915 22.4915 22.9025 22.9025 23.5480 23.5480 24.4298 24.4298 24.8265 24.8265 k = 0.3846 0.5000-0.0000 ( 3056 PWs) bands (ev): -57.8677 -57.8677 -57.8611 -57.8611 -57.8542 -57.8542 -41.7012 -41.7012 -28.5315 -28.5315 -28.5075 -28.5075 -28.4840 -28.4840 -24.8228 -24.8228 -24.7502 -24.7502 -24.6850 -24.6850 -24.5058 -24.5058 -24.4558 -24.4558 -24.3852 -24.3852 -16.0019 -16.0019 -8.2907 -8.2907 -8.2681 -8.2681 11.8687 11.8687 14.0206 14.0206 14.3952 14.3952 15.4323 15.4323 16.3292 16.3292 16.9599 16.9599 17.0861 17.0861 17.1986 17.1986 17.3106 17.3106 17.4133 17.4133 17.5215 17.5215 17.7840 17.7840 17.9399 17.9399 18.9419 18.9419 19.0923 19.0923 19.3378 19.3378 19.3642 19.3642 22.0307 22.0307 22.3115 22.3115 22.4985 22.4985 22.8394 22.8394 23.5281 23.5281 24.4486 24.4486 24.8620 24.8620 k = 0.3974 0.5000-0.0000 ( 3056 PWs) bands (ev): -57.8670 -57.8670 -57.8611 -57.8611 -57.8549 -57.8549 -41.7012 -41.7012 -28.5300 -28.5300 -28.5076 -28.5076 -28.4855 -28.4855 -24.8221 -24.8221 -24.7505 -24.7505 -24.6851 -24.6851 -24.5065 -24.5065 -24.4564 -24.4564 -24.3843 -24.3843 -16.0019 -16.0019 -8.2909 -8.2909 -8.2684 -8.2684 11.9241 11.9241 14.0059 14.0059 14.3199 14.3199 15.4239 15.4239 16.3605 16.3605 17.0055 17.0055 17.1054 17.1054 17.2109 17.2109 17.3186 17.3186 17.4157 17.4157 17.5513 17.5513 17.7642 17.7642 17.9211 17.9211 18.9153 18.9153 19.0683 19.0683 19.3288 19.3288 19.3501 19.3501 22.0353 22.0353 22.2979 22.2979 22.5044 22.5044 22.7821 22.7821 23.5073 23.5073 24.4654 24.4654 24.8947 24.8947 k = 0.4103 0.5000-0.0000 ( 3056 PWs) bands (ev): -57.8663 -57.8663 -57.8611 -57.8611 -57.8556 -57.8556 -41.7011 -41.7011 -28.5285 -28.5285 -28.5076 -28.5076 -28.4871 -28.4871 -24.8215 -24.8215 -24.7507 -24.7507 -24.6851 -24.6851 -24.5072 -24.5072 -24.4569 -24.4569 -24.3835 -24.3835 -16.0020 -16.0020 -8.2911 -8.2911 -8.2687 -8.2687 11.9770 11.9770 13.9919 13.9919 14.2499 14.2499 15.4164 15.4164 16.3889 16.3889 17.0477 17.0477 17.1228 17.1228 17.2234 17.2234 17.3271 17.3271 17.4174 17.4174 17.5755 17.5755 17.7478 17.7478 17.9063 17.9063 18.8876 18.8876 19.0458 19.0458 19.2970 19.2970 19.3621 19.3621 22.0381 22.0381 22.2876 22.2876 22.5088 22.5088 22.7313 22.7313 23.4866 23.4866 24.4803 24.4803 24.9240 24.9240 k = 0.4231 0.5000-0.0000 ( 3052 PWs) bands (ev): -57.8655 -57.8655 -57.8611 -57.8611 -57.8564 -57.8564 -41.7011 -41.7011 -28.5271 -28.5271 -28.5077 -28.5077 -28.4885 -28.4885 -24.8209 -24.8209 -24.7509 -24.7509 -24.6852 -24.6852 -24.5077 -24.5077 -24.4573 -24.4573 -24.3828 -24.3828 -16.0020 -16.0020 -8.2913 -8.2913 -8.2689 -8.2689 12.0264 12.0264 13.9784 13.9784 14.1867 14.1867 15.4099 15.4099 16.4140 16.4140 17.0845 17.0845 17.1393 17.1393 17.2356 17.2356 17.3370 17.3370 17.4186 17.4186 17.5917 17.5917 17.7346 17.7346 17.8966 17.8966 18.8601 18.8601 19.0250 19.0250 19.2689 19.2689 19.3734 19.3734 22.0392 22.0392 22.2803 22.2803 22.5113 22.5113 22.6878 22.6878 23.4667 23.4667 24.4932 24.4932 24.9500 24.9500 k = 0.4359 0.5000-0.0000 ( 3056 PWs) bands (ev): -57.8648 -57.8648 -57.8611 -57.8611 -57.8571 -57.8571 -41.7011 -41.7011 -28.5258 -28.5258 -28.5077 -28.5077 -28.4898 -28.4898 -24.8204 -24.8204 -24.7511 -24.7511 -24.6852 -24.6852 -24.5082 -24.5082 -24.4577 -24.4577 -24.3822 -24.3822 -16.0021 -16.0021 -8.2915 -8.2915 -8.2691 -8.2691 12.0713 12.0713 13.9650 13.9650 14.1320 14.1320 15.4043 15.4043 16.4356 16.4356 17.1132 17.1132 17.1565 17.1565 17.2470 17.2470 17.3493 17.3493 17.4192 17.4192 17.5985 17.5985 17.7244 17.7244 17.8929 17.8929 18.8342 18.8342 19.0060 19.0060 19.2446 19.2446 19.3836 19.3836 22.0391 22.0391 22.2754 22.2754 22.5116 22.5116 22.6521 22.6521 23.4485 23.4485 24.5041 24.5041 24.9722 24.9722 k = 0.4487 0.5000-0.0000 ( 3044 PWs) bands (ev): -57.8640 -57.8640 -57.8610 -57.8610 -57.8578 -57.8578 -41.7011 -41.7011 -28.5246 -28.5246 -28.5078 -28.5078 -28.4910 -28.4910 -24.8200 -24.8200 -24.7513 -24.7513 -24.6852 -24.6852 -24.5085 -24.5085 -24.4581 -24.4581 -24.3817 -24.3817 -16.0021 -16.0021 -8.2917 -8.2917 -8.2693 -8.2693 12.1104 12.1104 13.9512 13.9512 14.0875 14.0875 15.3998 15.3998 16.4536 16.4536 17.1321 17.1321 17.1752 17.1752 17.2571 17.2571 17.3643 17.3643 17.4194 17.4194 17.5969 17.5969 17.7161 17.7161 17.8951 17.8951 18.8111 18.8111 18.9894 18.9894 19.2246 19.2246 19.3924 19.3924 22.0384 22.0384 22.2727 22.2727 22.5091 22.5091 22.6251 22.6251 23.4326 23.4326 24.5130 24.5130 24.9908 24.9908 k = 0.4615 0.5000-0.0000 ( 3036 PWs) bands (ev): -57.8632 -57.8632 -57.8610 -57.8610 -57.8586 -57.8586 -41.7011 -41.7011 -28.5237 -28.5237 -28.5078 -28.5078 -28.4919 -28.4919 -24.8197 -24.8197 -24.7514 -24.7514 -24.6853 -24.6853 -24.5088 -24.5088 -24.4583 -24.4583 -24.3813 -24.3813 -16.0021 -16.0021 -8.2918 -8.2918 -8.2694 -8.2694 12.1425 12.1425 13.9369 13.9369 14.0546 14.0546 15.3963 15.3963 16.4678 16.4678 17.1433 17.1433 17.1925 17.1925 17.2654 17.2654 17.3817 17.3817 17.4194 17.4194 17.5891 17.5891 17.7090 17.7090 17.9010 17.9010 18.7919 18.7919 18.9756 18.9756 19.2088 19.2088 19.3995 19.3995 22.0372 22.0372 22.2712 22.2712 22.5043 22.5043 22.6066 22.6066 23.4197 23.4197 24.5199 24.5199 25.0053 25.0053 k = 0.4744 0.5000-0.0000 ( 3040 PWs) bands (ev): -57.8625 -57.8625 -57.8610 -57.8610 -57.8594 -57.8594 -41.7011 -41.7011 -28.5229 -28.5229 -28.5079 -28.5079 -28.4927 -28.4927 -24.8195 -24.8195 -24.7515 -24.7515 -24.6853 -24.6853 -24.5090 -24.5090 -24.4585 -24.4585 -24.3810 -24.3810 -16.0021 -16.0021 -8.2919 -8.2919 -8.2694 -8.2694 12.1665 12.1665 13.9235 13.9235 14.0330 14.0330 15.3938 15.3938 16.4779 16.4779 17.1500 17.1500 17.2055 17.2055 17.2714 17.2714 17.3993 17.3993 17.4193 17.4193 17.5783 17.5783 17.7032 17.7032 17.9077 17.9077 18.7774 18.7774 18.9651 18.9651 19.1973 19.1973 19.4047 19.4047 22.0361 22.0361 22.2706 22.2706 22.4985 22.4985 22.5955 22.5955 23.4101 23.4101 24.5249 24.5249 25.0158 25.0158 k = 0.4872 0.5000-0.0000 ( 3048 PWs) bands (ev): -57.8617 -57.8617 -57.8611 -57.8611 -57.8602 -57.8602 -41.7011 -41.7011 -28.5225 -28.5225 -28.5079 -28.5079 -28.4931 -28.4931 -24.8193 -24.8193 -24.7516 -24.7516 -24.6853 -24.6853 -24.5092 -24.5092 -24.4586 -24.4586 -24.3809 -24.3809 -16.0021 -16.0021 -8.2919 -8.2919 -8.2695 -8.2695 12.1813 12.1813 13.9138 13.9138 14.0213 14.0213 15.3923 15.3923 16.4840 16.4840 17.1536 17.1536 17.2133 17.2133 17.2751 17.2751 17.4133 17.4133 17.4191 17.4191 17.5686 17.5686 17.6995 17.6995 17.9128 17.9128 18.7683 18.7683 18.9586 18.9586 19.1903 19.1903 19.4079 19.4079 22.0353 22.0353 22.2704 22.2704 22.4939 22.4939 22.5899 22.5899 23.4042 23.4042 24.5278 24.5278 25.0220 25.0220 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5223 -28.5223 -28.5079 -28.5079 -28.4933 -28.4933 -24.8193 -24.8193 -24.7516 -24.7516 -24.6853 -24.6853 -24.5092 -24.5092 -24.4586 -24.4586 -24.3808 -24.3808 -16.0021 -16.0021 -8.2920 -8.2920 -8.2695 -8.2695 12.1864 12.1864 13.9103 13.9103 14.0176 14.0176 15.3918 15.3918 16.4861 16.4861 17.1548 17.1548 17.2158 17.2158 17.2764 17.2764 17.4187 17.4187 17.4192 17.4192 17.5646 17.5646 17.6982 17.6982 17.9147 17.9147 18.7652 18.7652 18.9564 18.9564 19.1880 19.1880 19.4089 19.4089 22.0351 22.0351 22.2703 22.2703 22.4921 22.4921 22.5882 22.5882 23.4023 23.4023 24.5288 24.5288 25.0241 25.0241 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5223 -28.5223 -28.5079 -28.5079 -28.4933 -28.4933 -24.8193 -24.8193 -24.7516 -24.7516 -24.6853 -24.6853 -24.5092 -24.5092 -24.4586 -24.4586 -24.3808 -24.3808 -16.0021 -16.0021 -8.2920 -8.2920 -8.2695 -8.2695 12.1864 12.1864 13.9103 13.9103 14.0176 14.0176 15.3918 15.3918 16.4861 16.4861 17.1548 17.1548 17.2158 17.2158 17.2764 17.2764 17.4187 17.4187 17.4192 17.4192 17.5646 17.5646 17.6982 17.6982 17.9147 17.9147 18.7652 18.7652 18.9564 18.9564 19.1880 19.1880 19.4089 19.4089 22.0351 22.0351 22.2703 22.2703 22.4921 22.4921 22.5882 22.5882 23.4023 23.4023 24.5288 24.5288 25.0241 25.0241 k = 0.4911 0.4911-0.0000 ( 3048 PWs) bands (ev): -57.8617 -57.8617 -57.8610 -57.8610 -57.8602 -57.8602 -41.7011 -41.7011 -28.5225 -28.5225 -28.5079 -28.5079 -28.4931 -28.4931 -24.8193 -24.8193 -24.7516 -24.7516 -24.6853 -24.6853 -24.5092 -24.5092 -24.4586 -24.4586 -24.3808 -24.3808 -16.0021 -16.0021 -8.2919 -8.2919 -8.2695 -8.2695 12.1815 12.1815 13.9138 13.9138 14.0211 14.0211 15.3923 15.3923 16.4841 16.4841 17.1537 17.1537 17.2134 17.2134 17.2752 17.2752 17.4145 17.4145 17.4181 17.4181 17.5684 17.5684 17.6995 17.6995 17.9128 17.9128 18.7682 18.7682 18.9585 18.9585 19.1903 19.1903 19.4079 19.4079 22.0353 22.0353 22.2704 22.2704 22.4939 22.4939 22.5898 22.5898 23.4042 23.4042 24.5279 24.5279 25.0221 25.0221 k = 0.4821 0.4821-0.0000 ( 3044 PWs) bands (ev): -57.8625 -57.8625 -57.8610 -57.8610 -57.8594 -57.8594 -41.7011 -41.7011 -28.5229 -28.5229 -28.5079 -28.5079 -28.4927 -28.4927 -24.8195 -24.8195 -24.7515 -24.7515 -24.6853 -24.6853 -24.5090 -24.5090 -24.4585 -24.4585 -24.3810 -24.3810 -16.0021 -16.0021 -8.2919 -8.2919 -8.2695 -8.2695 12.1670 12.1670 13.9241 13.9241 14.0317 14.0317 15.3937 15.3937 16.4780 16.4780 17.1500 17.1500 17.2065 17.2065 17.2715 17.2715 17.4039 17.4039 17.4151 17.4151 17.5761 17.5761 17.7048 17.7048 17.9077 17.9077 18.7770 18.7770 18.9649 18.9649 19.1969 19.1969 19.4049 19.4049 22.0361 22.0361 22.2706 22.2706 22.4989 22.4989 22.5947 22.5947 23.4099 23.4099 24.5250 24.5250 25.0160 25.0160 k = 0.4732 0.4732-0.0000 ( 3040 PWs) bands (ev): -57.8633 -57.8633 -57.8609 -57.8609 -57.8587 -57.8587 -41.7011 -41.7011 -28.5236 -28.5236 -28.5079 -28.5079 -28.4919 -28.4919 -24.8197 -24.8197 -24.7514 -24.7514 -24.6853 -24.6853 -24.5088 -24.5088 -24.4583 -24.4583 -24.3813 -24.3813 -16.0021 -16.0021 -8.2918 -8.2918 -8.2694 -8.2694 12.1434 12.1434 13.9404 13.9404 14.0496 14.0496 15.3962 15.3962 16.4673 16.4673 17.1433 17.1433 17.1960 17.1960 17.2658 17.2658 17.3908 17.3908 17.4107 17.4107 17.5806 17.5806 17.7166 17.7166 17.9005 17.9005 18.7911 18.7911 18.9751 18.9751 19.2074 19.2074 19.4003 19.4003 22.0372 22.0372 22.2711 22.2711 22.5070 22.5070 22.6031 22.6031 23.4194 23.4194 24.5202 24.5202 25.0058 25.0058 k = 0.4643 0.4643-0.0000 ( 3040 PWs) bands (ev): -57.8641 -57.8641 -57.8608 -57.8608 -57.8580 -57.8580 -41.7011 -41.7011 -28.5245 -28.5245 -28.5080 -28.5080 -28.4909 -28.4909 -24.8200 -24.8200 -24.7512 -24.7512 -24.6853 -24.6853 -24.5085 -24.5085 -24.4581 -24.4581 -24.3816 -24.3816 -16.0021 -16.0021 -8.2916 -8.2916 -8.2692 -8.2692 12.1114 12.1114 13.9620 13.9620 14.0748 14.0748 15.3995 15.3995 16.4516 16.4516 17.1327 17.1327 17.1829 17.1829 17.2588 17.2588 17.3771 17.3771 17.4057 17.4057 17.5766 17.5766 17.7361 17.7361 17.8929 17.8929 18.8099 18.8099 18.9888 18.9888 19.2213 19.2213 19.3945 19.3945 22.0383 22.0383 22.2724 22.2724 22.5175 22.5175 22.6154 22.6154 23.4323 23.4323 24.5135 24.5135 24.9917 24.9917 k = 0.4554 0.4554-0.0000 ( 3056 PWs) bands (ev): -57.8649 -57.8649 -57.8607 -57.8607 -57.8573 -57.8573 -41.7011 -41.7011 -28.5256 -28.5256 -28.5082 -28.5082 -28.4897 -28.4897 -24.8205 -24.8205 -24.7511 -24.7511 -24.6853 -24.6853 -24.5082 -24.5082 -24.4578 -24.4578 -24.3821 -24.3821 -16.0021 -16.0021 -8.2915 -8.2915 -8.2691 -8.2691 12.0718 12.0718 13.9879 13.9879 14.1073 14.1073 15.4037 15.4037 16.4301 16.4301 17.1178 17.1178 17.1679 17.1679 17.2516 17.2516 17.3626 17.3626 17.4012 17.4012 17.5634 17.5634 17.7613 17.7613 17.8875 17.8875 18.8324 18.8324 19.0053 19.0053 19.2368 19.2368 19.3886 19.3886 22.0391 22.0391 22.2748 22.2748 22.5298 22.5298 22.6320 22.6320 23.4485 23.4485 24.5050 24.5050 24.9736 24.9736 k = 0.4464 0.4464-0.0000 ( 3060 PWs) bands (ev): -57.8658 -57.8658 -57.8605 -57.8605 -57.8567 -57.8567 -41.7011 -41.7011 -28.5267 -28.5267 -28.5084 -28.5084 -28.4882 -28.4882 -24.8210 -24.8210 -24.7508 -24.7508 -24.6852 -24.6852 -24.5077 -24.5077 -24.4574 -24.4574 -24.3827 -24.3827 -16.0020 -16.0020 -8.2913 -8.2913 -8.2690 -8.2690 12.0256 12.0256 14.0177 14.0177 14.1468 14.1468 15.4087 15.4087 16.4025 16.4025 17.0981 17.0981 17.1523 17.1523 17.2450 17.2450 17.3471 17.3471 17.3983 17.3983 17.5425 17.5425 17.7886 17.7886 17.8871 17.8871 18.8580 18.8580 19.0244 19.0244 19.2520 19.2520 19.3852 19.3852 22.0394 22.0394 22.2789 22.2789 22.5435 22.5435 22.6534 22.6534 23.4677 23.4677 24.4947 24.4947 24.9516 24.9516 k = 0.4375 0.4375-0.0000 ( 3056 PWs) bands (ev): -57.8666 -57.8666 -57.8604 -57.8604 -57.8560 -57.8560 -41.7011 -41.7011 -28.5279 -28.5279 -28.5088 -28.5088 -28.4865 -28.4865 -24.8217 -24.8217 -24.7505 -24.7505 -24.6852 -24.6852 -24.5072 -24.5072 -24.4569 -24.4569 -24.3834 -24.3834 -16.0020 -16.0020 -8.2911 -8.2911 -8.2688 -8.2688 11.9737 11.9737 14.0511 14.0511 14.1924 14.1924 15.4146 15.4146 16.3683 16.3683 17.0729 17.0729 17.1373 17.1373 17.2385 17.2385 17.3308 17.3308 17.3973 17.3973 17.5160 17.5160 17.8139 17.8139 17.8952 17.8952 18.8856 18.8856 19.0455 19.0455 19.2630 19.2630 19.3878 19.3878 22.0389 22.0389 22.2849 22.2849 22.5581 22.5581 22.6797 22.6797 23.4896 23.4896 24.4828 24.4828 24.9260 24.9260 k = 0.4286 0.4286-0.0000 ( 3052 PWs) bands (ev): -57.8675 -57.8675 -57.8601 -57.8601 -57.8554 -57.8554 -41.7011 -41.7011 -28.5292 -28.5292 -28.5093 -28.5093 -28.4846 -28.4846 -24.8225 -24.8225 -24.7501 -24.7501 -24.6852 -24.6852 -24.5066 -24.5066 -24.4564 -24.4564 -24.3841 -24.3841 -16.0019 -16.0019 -8.2908 -8.2908 -8.2685 -8.2685 11.9170 11.9170 14.0881 14.0881 14.2432 14.2432 15.4212 15.4212 16.3275 16.3275 17.0421 17.0421 17.1232 17.1232 17.2306 17.2306 17.3156 17.3156 17.3971 17.3971 17.4863 17.4863 17.8346 17.8346 17.9141 17.9141 18.9142 18.9142 19.0682 19.0682 19.2662 19.2662 19.4003 19.4003 22.0373 22.0373 22.2931 22.2931 22.5734 22.5734 22.7108 22.7108 23.5139 23.5139 24.4695 24.4695 24.8968 24.8968 k = 0.4196 0.4196-0.0000 ( 3056 PWs) bands (ev): -57.8684 -57.8684 -57.8599 -57.8599 -57.8547 -57.8547 -41.7012 -41.7012 -28.5305 -28.5305 -28.5099 -28.5099 -28.4827 -28.4827 -24.8234 -24.8234 -24.7496 -24.7496 -24.6852 -24.6852 -24.5058 -24.5058 -24.4559 -24.4559 -24.3850 -24.3850 -16.0019 -16.0019 -8.2904 -8.2904 -8.2682 -8.2682 11.8562 11.8562 14.1288 14.1288 14.2983 14.2983 15.4283 15.4283 16.2805 16.2805 17.0063 17.0063 17.1083 17.1083 17.2205 17.2205 17.3032 17.3032 17.3936 17.3936 17.4592 17.4592 17.8517 17.8517 17.9422 17.9422 18.9426 18.9426 19.0921 19.0921 19.2613 19.2613 19.4228 19.4228 22.0345 22.0345 22.3034 22.3034 22.5895 22.5895 22.7465 22.7465 23.5400 23.5400 24.4549 24.4549 24.8641 24.8641 k = 0.4107 0.4107-0.0000 ( 3056 PWs) bands (ev): -57.8693 -57.8693 -57.8596 -57.8596 -57.8541 -57.8541 -41.7012 -41.7012 -28.5318 -28.5318 -28.5106 -28.5106 -28.4806 -28.4806 -24.8244 -24.8244 -24.7491 -24.7491 -24.6852 -24.6852 -24.5050 -24.5050 -24.4553 -24.4553 -24.3859 -24.3859 -16.0018 -16.0018 -8.2901 -8.2901 -8.2679 -8.2679 11.7921 11.7921 14.1734 14.1734 14.3567 14.3567 15.4360 15.4360 16.2277 16.2277 16.9665 16.9665 17.0894 17.0894 17.2090 17.2090 17.2941 17.2941 17.3782 17.3782 17.4459 17.4459 17.8688 17.8688 17.9759 17.9759 18.9696 18.9696 19.1165 19.1165 19.2517 19.2517 19.4529 19.4529 22.0304 22.0304 22.3159 22.3159 22.6064 22.6064 22.7864 22.7864 23.5678 23.5678 24.4396 24.4396 24.8283 24.8283 k = 0.4018 0.4018-0.0000 ( 3060 PWs) bands (ev): -57.8702 -57.8702 -57.8593 -57.8593 -57.8535 -57.8535 -41.7012 -41.7012 -28.5331 -28.5331 -28.5113 -28.5113 -28.4784 -28.4784 -24.8256 -24.8256 -24.7485 -24.7485 -24.6852 -24.6852 -24.5041 -24.5041 -24.4546 -24.4546 -24.3869 -24.3869 -16.0017 -16.0017 -8.2896 -8.2896 -8.2675 -8.2675 11.7253 11.7253 14.2218 14.2218 14.4176 14.4176 15.4441 15.4441 16.1700 16.1700 16.9234 16.9234 17.0636 17.0636 17.1973 17.1973 17.2860 17.2860 17.3526 17.3526 17.4486 17.4486 17.8879 17.8879 18.0130 18.0130 18.9938 18.9938 19.1395 19.1395 19.2425 19.2425 19.4882 19.4882 22.0253 22.0253 22.3302 22.3302 22.6241 22.6241 22.8303 22.8303 23.5969 23.5969 24.4239 24.4239 24.7892 24.7892 k = 0.3929 0.3929-0.0000 ( 3046 PWs) bands (ev): -57.8710 -57.8710 -57.8590 -57.8590 -57.8529 -57.8529 -41.7012 -41.7012 -28.5344 -28.5344 -28.5122 -28.5122 -28.4761 -28.4761 -24.8269 -24.8269 -24.7478 -24.7478 -24.6853 -24.6853 -24.5031 -24.5031 -24.4539 -24.4539 -24.3879 -24.3879 -16.0016 -16.0016 -8.2891 -8.2891 -8.2671 -8.2671 11.6562 11.6562 14.2741 14.2741 14.4804 14.4804 15.4526 15.4526 16.1079 16.1079 16.8778 16.8778 17.0302 17.0302 17.1825 17.1825 17.2760 17.2760 17.3316 17.3316 17.4596 17.4596 17.9099 17.9099 18.0525 18.0525 19.0138 19.0138 19.1556 19.1556 19.2416 19.2416 19.5271 19.5271 22.0194 22.0194 22.3460 22.3460 22.6427 22.6427 22.8777 22.8777 23.6268 23.6268 24.4085 24.4085 24.7476 24.7476 k = 0.3839 0.3839-0.0000 ( 3038 PWs) bands (ev): -57.8719 -57.8719 -57.8586 -57.8586 -57.8524 -57.8524 -41.7012 -41.7012 -28.5357 -28.5357 -28.5131 -28.5131 -28.4738 -28.4738 -24.8283 -24.8283 -24.7470 -24.7470 -24.6853 -24.6853 -24.5020 -24.5020 -24.4531 -24.4531 -24.3890 -24.3890 -16.0014 -16.0014 -8.2886 -8.2886 -8.2666 -8.2666 11.5855 11.5855 14.3303 14.3303 14.5441 14.5441 15.4612 15.4612 16.0424 16.0424 16.8301 16.8301 16.9906 16.9906 17.1580 17.1580 17.2659 17.2659 17.3219 17.3219 17.4752 17.4752 17.9350 17.9350 18.0941 18.0941 19.0278 19.0278 19.1587 19.1587 19.2573 19.2573 19.5684 19.5684 22.0128 22.0128 22.3627 22.3627 22.6622 22.6622 22.9284 22.9284 23.6572 23.6572 24.3936 24.3936 24.7033 24.7033 k = 0.3750 0.3750-0.0000 ( 3038 PWs) bands (ev): -57.8728 -57.8728 -57.8582 -57.8582 -57.8518 -57.8518 -41.7012 -41.7012 -28.5370 -28.5370 -28.5141 -28.5141 -28.4714 -28.4714 -24.8299 -24.8299 -24.7461 -24.7461 -24.6854 -24.6854 -24.5008 -24.5008 -24.4523 -24.4523 -24.3902 -24.3902 -16.0013 -16.0013 -8.2880 -8.2880 -8.2661 -8.2661 11.5134 11.5134 14.3905 14.3905 14.6084 14.6084 15.4699 15.4699 15.9741 15.9741 16.7808 16.7808 16.9460 16.9460 17.1211 17.1211 17.2616 17.2616 17.3200 17.3200 17.4942 17.4942 17.9631 17.9631 18.1379 18.1379 19.0338 19.0338 19.1536 19.1536 19.2868 19.2868 19.6115 19.6115 22.0056 22.0056 22.3798 22.3798 22.6825 22.6825 22.9821 22.9821 23.6877 23.6877 24.3799 24.3799 24.6568 24.6568 k = 0.3661 0.3661-0.0000 ( 3030 PWs) bands (ev): -57.8737 -57.8737 -57.8578 -57.8578 -57.8513 -57.8513 -41.7012 -41.7012 -28.5382 -28.5382 -28.5152 -28.5152 -28.4689 -28.4689 -24.8316 -24.8316 -24.7451 -24.7451 -24.6855 -24.6855 -24.4995 -24.4995 -24.4515 -24.4515 -24.3914 -24.3914 -16.0011 -16.0011 -8.2874 -8.2874 -8.2656 -8.2656 11.4404 11.4404 14.4544 14.4544 14.6725 14.6725 15.4784 15.4784 15.9038 15.9038 16.7301 16.7301 16.8979 16.8979 17.0755 17.0755 17.2628 17.2628 17.3220 17.3220 17.5164 17.5164 17.9940 17.9940 18.1841 18.1841 19.0303 19.0303 19.1488 19.1488 19.3236 19.3236 19.6559 19.6559 21.9982 21.9982 22.3970 22.3970 22.7035 22.7035 23.0384 23.0384 23.7181 23.7181 24.3680 24.3680 24.6086 24.6086 k = 0.3571 0.3571-0.0000 ( 3030 PWs) bands (ev): -57.8747 -57.8747 -57.8574 -57.8574 -57.8508 -57.8508 -41.7012 -41.7012 -28.5394 -28.5394 -28.5163 -28.5163 -28.4664 -28.4664 -24.8335 -24.8335 -24.7441 -24.7441 -24.6856 -24.6856 -24.4981 -24.4981 -24.4506 -24.4506 -24.3927 -24.3927 -16.0010 -16.0010 -8.2867 -8.2867 -8.2650 -8.2650 11.3666 11.3666 14.5221 14.5221 14.7359 14.7359 15.4867 15.4867 15.8321 15.8321 16.6785 16.6785 16.8473 16.8473 17.0249 17.0249 17.2670 17.2670 17.3259 17.3259 17.5412 17.5412 18.0277 18.0277 18.2329 18.2329 19.0175 19.0175 19.1472 19.1472 19.3644 19.3644 19.7012 19.7012 21.9907 21.9907 22.4139 22.4139 22.7249 22.7249 23.0971 23.0971 23.7480 23.7480 24.3582 24.3582 24.5589 24.5589 k = 0.3482 0.3482-0.0000 ( 3035 PWs) bands (ev): -57.8756 -57.8756 -57.8570 -57.8570 -57.8503 -57.8503 -41.7013 -41.7013 -28.5406 -28.5406 -28.5176 -28.5176 -28.4639 -28.4639 -24.8355 -24.8355 -24.7430 -24.7430 -24.6858 -24.6858 -24.4967 -24.4967 -24.4497 -24.4497 -24.3940 -24.3940 -16.0008 -16.0008 -8.2860 -8.2860 -8.2644 -8.2644 11.2925 11.2925 14.5932 14.5932 14.7980 14.7980 15.4944 15.4944 15.7600 15.7600 16.6261 16.6261 16.7946 16.7946 16.9716 16.9716 17.2728 17.2728 17.3308 17.3308 17.5686 17.5686 18.0637 18.0637 18.2843 18.2843 18.9979 18.9979 19.1479 19.1479 19.4077 19.4077 19.7471 19.7471 21.9831 21.9831 22.4303 22.4303 22.7464 22.7464 23.1579 23.1579 23.7772 23.7772 24.3509 24.3509 24.5085 24.5085 k = 0.3393 0.3393-0.0000 ( 3033 PWs) bands (ev): -57.8765 -57.8765 -57.8566 -57.8566 -57.8497 -57.8497 -41.7013 -41.7013 -28.5417 -28.5417 -28.5188 -28.5188 -28.4614 -28.4614 -24.8376 -24.8376 -24.7418 -24.7418 -24.6860 -24.6860 -24.4951 -24.4951 -24.4488 -24.4488 -24.3953 -24.3953 -16.0006 -16.0006 -8.2852 -8.2852 -8.2637 -8.2637 11.2181 11.2181 14.6676 14.6676 14.8581 14.8581 15.5012 15.5012 15.6884 15.6884 16.5731 16.5731 16.7407 16.7407 16.9168 16.9168 17.2794 17.2794 17.3362 17.3362 17.5984 17.5984 18.1021 18.1021 18.3383 18.3383 18.9740 18.9740 19.1496 19.1496 19.4530 19.4530 19.7935 19.7935 21.9757 21.9757 22.4461 22.4461 22.7679 22.7679 23.2205 23.2205 23.8052 23.8052 24.3460 24.3460 24.4580 24.4580 k = 0.3304 0.3304-0.0000 ( 3033 PWs) bands (ev): -57.8775 -57.8775 -57.8561 -57.8561 -57.8493 -57.8493 -41.7013 -41.7013 -28.5429 -28.5429 -28.5201 -28.5201 -28.4589 -28.4589 -24.8398 -24.8398 -24.7405 -24.7405 -24.6862 -24.6862 -24.4934 -24.4934 -24.4479 -24.4479 -24.3967 -24.3967 -16.0004 -16.0004 -8.2843 -8.2843 -8.2631 -8.2631 11.1438 11.1438 14.7447 14.7447 14.9155 14.9155 15.5062 15.5062 15.6192 15.6192 16.5200 16.5200 16.6857 16.6857 16.8610 16.8610 17.2870 17.2870 17.3418 17.3418 17.6306 17.6306 18.1425 18.1425 18.3947 18.3947 18.9477 18.9477 19.1509 19.1509 19.4996 19.4996 19.8401 19.8401 21.9683 21.9683 22.4613 22.4613 22.7887 22.7887 23.2847 23.2847 23.8317 23.8317 24.3436 24.3436 24.4085 24.4085 k = 0.3214 0.3214-0.0000 ( 3031 PWs) bands (ev): -57.8784 -57.8784 -57.8556 -57.8556 -57.8489 -57.8489 -41.7013 -41.7013 -28.5439 -28.5439 -28.5215 -28.5215 -28.4563 -28.4563 -24.8422 -24.8422 -24.7392 -24.7392 -24.6865 -24.6865 -24.4916 -24.4916 -24.4470 -24.4470 -24.3980 -24.3980 -16.0001 -16.0001 -8.2834 -8.2834 -8.2623 -8.2623 11.0697 11.0697 14.8233 14.8233 14.9698 14.9698 15.5043 15.5043 15.5588 15.5588 16.4667 16.4667 16.6302 16.6302 16.8045 16.8045 17.2954 17.2954 17.3477 17.3477 17.6650 17.6650 18.1849 18.1849 18.4531 18.4531 18.9202 18.9202 19.1516 19.1516 19.5471 19.5471 19.8868 19.8868 21.9612 21.9612 22.4761 22.4761 22.8082 22.8082 23.3503 23.3503 23.8564 23.8564 24.3418 24.3418 24.3626 24.3626 k = 0.3125 0.3125-0.0000 ( 3027 PWs) bands (ev): -57.8793 -57.8793 -57.8551 -57.8551 -57.8484 -57.8484 -41.7013 -41.7013 -28.5450 -28.5450 -28.5229 -28.5229 -28.4537 -28.4537 -24.8447 -24.8447 -24.7378 -24.7378 -24.6868 -24.6868 -24.4897 -24.4897 -24.4460 -24.4460 -24.3994 -24.3994 -15.9999 -15.9999 -8.2824 -8.2824 -8.2616 -8.2616 10.9960 10.9960 14.9004 14.9004 15.0213 15.0213 15.4711 15.4711 15.5339 15.5339 16.4135 16.4135 16.5744 16.5744 16.7477 16.7477 17.3049 17.3049 17.3544 17.3544 17.7014 17.7014 18.2288 18.2288 18.5127 18.5127 18.8924 18.8924 19.1515 19.1515 19.5955 19.5955 19.9334 19.9334 21.9542 21.9542 22.4909 22.4909 22.8259 22.8259 23.4168 23.4168 23.8788 23.8788 24.3132 24.3132 24.3489 24.3489 k = 0.3036 0.3036-0.0000 ( 3025 PWs) bands (ev): -57.8802 -57.8802 -57.8546 -57.8546 -57.8480 -57.8480 -41.7013 -41.7013 -28.5460 -28.5460 -28.5244 -28.5244 -28.4512 -28.4512 -24.8472 -24.8472 -24.7364 -24.7364 -24.6871 -24.6871 -24.4878 -24.4878 -24.4451 -24.4451 -24.4007 -24.4007 -15.9996 -15.9996 -8.2813 -8.2813 -8.2608 -8.2608 10.9229 10.9229 14.9669 14.9669 15.0745 15.0745 15.4219 15.4219 15.5333 15.5333 16.3605 16.3605 16.5184 16.5184 16.6905 16.6905 17.3156 17.3156 17.3623 17.3623 17.7396 17.7396 18.2740 18.2740 18.5722 18.5722 18.8653 18.8653 19.1510 19.1510 19.6444 19.6444 19.9796 19.9796 21.9473 21.9473 22.5060 22.5060 22.8408 22.8408 23.4839 23.4839 23.8981 23.8981 24.2743 24.2743 24.3523 24.3523 k = 0.2946 0.2946-0.0000 ( 3033 PWs) bands (ev): -57.8811 -57.8811 -57.8541 -57.8541 -57.8477 -57.8477 -41.7013 -41.7013 -28.5470 -28.5470 -28.5259 -28.5259 -28.4486 -28.4486 -24.8499 -24.8499 -24.7350 -24.7350 -24.6875 -24.6875 -24.4858 -24.4858 -24.4441 -24.4441 -24.4021 -24.4021 -15.9993 -15.9993 -8.2802 -8.2802 -8.2600 -8.2600 10.8504 10.8504 15.0053 15.0053 15.1401 15.1401 15.3843 15.3843 15.5358 15.5358 16.3078 16.3078 16.4626 16.4626 16.6332 16.6332 17.3276 17.3276 17.3720 17.3720 17.7795 17.7795 18.3200 18.3200 18.6295 18.6295 18.8403 18.8403 19.1508 19.1508 19.6936 19.6936 20.0254 20.0254 21.9404 21.9404 22.5219 22.5219 22.8520 22.8520 23.5511 23.5511 23.9136 23.9136 24.2418 24.2418 24.3576 24.3576 k = 0.2857 0.2857-0.0000 ( 3037 PWs) bands (ev): -57.8820 -57.8820 -57.8536 -57.8536 -57.8473 -57.8473 -41.7014 -41.7014 -28.5480 -28.5480 -28.5274 -28.5274 -28.4461 -28.4461 -24.8526 -24.8526 -24.7335 -24.7335 -24.6879 -24.6879 -24.4836 -24.4836 -24.4432 -24.4432 -24.4034 -24.4034 -15.9990 -15.9990 -8.2791 -8.2791 -8.2592 -8.2592 10.7787 10.7787 15.0070 15.0070 15.2188 15.2188 15.3685 15.3685 15.5385 15.5385 16.2557 16.2557 16.4074 16.4074 16.5757 16.5757 17.3411 17.3411 17.3839 17.3839 17.8209 17.8209 18.3663 18.3663 18.6802 18.6802 18.8209 18.8209 19.1519 19.1519 19.7432 19.7432 20.0707 20.0707 21.9335 21.9335 22.5391 22.5391 22.8584 22.8584 23.6179 23.6179 23.9247 23.9247 24.2184 24.2184 24.3639 24.3639 k = 0.2768 0.2768-0.0000 ( 3033 PWs) bands (ev): -57.8829 -57.8829 -57.8530 -57.8530 -57.8469 -57.8469 -41.7014 -41.7014 -28.5489 -28.5489 -28.5289 -28.5289 -28.4435 -28.4435 -24.8554 -24.8554 -24.7320 -24.7320 -24.6884 -24.6884 -24.4814 -24.4814 -24.4422 -24.4422 -24.4047 -24.4047 -15.9986 -15.9986 -8.2778 -8.2778 -8.2583 -8.2583 10.7081 10.7081 14.9790 14.9790 15.2958 15.2958 15.3816 15.3816 15.5421 15.5421 16.2043 16.2043 16.3530 16.3530 16.5183 16.5183 17.3565 17.3565 17.3986 17.3986 17.8640 17.8640 18.4122 18.4122 18.7133 18.7133 18.8167 18.8167 19.1562 19.1562 19.7930 19.7930 20.1154 20.1154 21.9264 21.9264 22.5580 22.5580 22.8590 22.8590 23.6836 23.6836 23.9316 23.9316 24.2059 24.2059 24.3707 24.3707 k = 0.2679 0.2679-0.0000 ( 3033 PWs) bands (ev): -57.8838 -57.8838 -57.8525 -57.8525 -57.8466 -57.8466 -41.7014 -41.7014 -28.5498 -28.5498 -28.5305 -28.5305 -28.4410 -28.4410 -24.8582 -24.8582 -24.7305 -24.7305 -24.6889 -24.6889 -24.4792 -24.4792 -24.4412 -24.4412 -24.4060 -24.4060 -15.9983 -15.9983 -8.2765 -8.2765 -8.2574 -8.2574 10.6385 10.6385 14.9319 14.9319 15.3454 15.3454 15.4344 15.4344 15.5499 15.5499 16.1535 16.1535 16.3000 16.3000 16.4607 16.4607 17.3743 17.3743 17.4159 17.4159 17.9083 17.9083 18.4561 18.4561 18.7182 18.7182 18.8366 18.8366 19.1662 19.1662 19.8427 19.8427 20.1593 20.1593 21.9191 21.9191 22.5789 22.5789 22.8529 22.8529 23.7466 23.7466 23.9360 23.9360 24.2050 24.2050 24.3776 24.3776 k = 0.2589 0.2589-0.0000 ( 3031 PWs) bands (ev): -57.8846 -57.8846 -57.8520 -57.8520 -57.8462 -57.8462 -41.7014 -41.7014 -28.5507 -28.5507 -28.5321 -28.5321 -28.4385 -28.4385 -24.8611 -24.8611 -24.7290 -24.7290 -24.6894 -24.6894 -24.4768 -24.4768 -24.4403 -24.4403 -24.4072 -24.4072 -15.9979 -15.9979 -8.2751 -8.2751 -8.2565 -8.2565 10.5701 10.5701 14.8744 14.8744 15.3729 15.3729 15.4927 15.4927 15.5816 15.5816 16.1036 16.1036 16.2489 16.2489 16.4033 16.4033 17.3951 17.3951 17.4360 17.4360 17.9541 17.9541 18.4955 18.4955 18.7089 18.7089 18.8659 18.8659 19.1844 19.1844 19.8924 19.8924 20.2025 20.2025 21.9112 21.9112 22.6017 22.6017 22.8399 22.8399 23.8048 23.8048 23.9416 23.9416 24.2148 24.2148 24.3843 24.3843 k = 0.2500 0.2500-0.0000 ( 3031 PWs) bands (ev): -57.8855 -57.8855 -57.8515 -57.8515 -57.8459 -57.8459 -41.7014 -41.7014 -28.5515 -28.5515 -28.5336 -28.5336 -28.4361 -28.4361 -24.8640 -24.8640 -24.7275 -24.7275 -24.6899 -24.6899 -24.4745 -24.4745 -24.4394 -24.4394 -24.4085 -24.4085 -15.9975 -15.9975 -8.2737 -8.2737 -8.2556 -8.2556 10.5030 10.5030 14.8117 14.8117 15.3944 15.3944 15.5114 15.5114 15.6595 15.6595 16.0548 16.0548 16.2012 16.2012 16.3460 16.3460 17.4193 17.4193 17.4586 17.4586 18.0011 18.0011 18.5259 18.5259 18.7014 18.7014 18.8911 18.8911 19.2127 19.2127 19.9418 19.9418 20.2448 20.2448 21.9027 21.9027 22.6251 22.6251 22.8210 22.8210 23.8535 23.8535 23.9547 23.9547 24.2344 24.2344 24.3908 24.3908 k = 0.2411 0.2411-0.0000 ( 3023 PWs) bands (ev): -57.8863 -57.8863 -57.8509 -57.8509 -57.8456 -57.8456 -41.7014 -41.7014 -28.5523 -28.5523 -28.5352 -28.5352 -28.4337 -28.4337 -24.8670 -24.8670 -24.7260 -24.7260 -24.6905 -24.6905 -24.4720 -24.4720 -24.4385 -24.4385 -24.4097 -24.4097 -15.9970 -15.9970 -8.2722 -8.2722 -8.2547 -8.2547 10.4373 10.4373 14.7465 14.7465 15.4126 15.4126 15.5133 15.5133 15.7526 15.7526 16.0072 16.0072 16.1599 16.1599 16.2891 16.2891 17.4473 17.4473 17.4835 17.4835 18.0494 18.0494 18.5416 18.5416 18.7037 18.7037 18.9101 18.9101 19.2503 19.2503 19.9910 19.9910 20.2862 20.2862 21.8933 21.8933 22.6449 22.6449 22.8008 22.8008 23.8865 23.8865 23.9821 23.9821 24.2625 24.2625 24.3972 24.3972 k = 0.2321 0.2321-0.0000 ( 3023 PWs) bands (ev): -57.8872 -57.8872 -57.8503 -57.8503 -57.8453 -57.8453 -41.7014 -41.7014 -28.5530 -28.5530 -28.5368 -28.5368 -28.4313 -28.4313 -24.8699 -24.8699 -24.7245 -24.7245 -24.6910 -24.6910 -24.4696 -24.4696 -24.4376 -24.4376 -24.4108 -24.4108 -15.9966 -15.9966 -8.2706 -8.2706 -8.2538 -8.2538 10.3731 10.3731 14.6805 14.6805 15.4274 15.4274 15.5104 15.5104 15.8380 15.8380 15.9614 15.9614 16.1333 16.1333 16.2331 16.2331 17.4792 17.4792 17.5105 17.5105 18.0989 18.0989 18.5409 18.5409 18.7160 18.7160 18.9260 18.9260 19.2948 19.2948 20.0397 20.0397 20.3265 20.3265 21.8828 21.8828 22.6493 22.6493 22.7917 22.7917 23.9057 23.9057 24.0220 24.0220 24.2977 24.2977 24.4045 24.4045 k = 0.2232 0.2232-0.0000 ( 3023 PWs) bands (ev): -57.8880 -57.8880 -57.8498 -57.8498 -57.8450 -57.8450 -41.7014 -41.7014 -28.5538 -28.5538 -28.5384 -28.5384 -28.4290 -28.4290 -24.8729 -24.8729 -24.7231 -24.7231 -24.6917 -24.6917 -24.4671 -24.4671 -24.4367 -24.4367 -24.4119 -24.4119 -15.9961 -15.9961 -8.2691 -8.2691 -8.2528 -8.2528 10.3105 10.3105 14.6146 14.6146 15.4387 15.4387 15.5052 15.5052 15.8866 15.8866 15.9217 15.9217 16.1380 16.1380 16.1835 16.1835 17.5150 17.5150 17.5395 17.5395 18.1494 18.1494 18.5291 18.5291 18.7306 18.7306 18.9446 18.9446 19.3429 19.3429 20.0879 20.0879 20.3657 20.3657 21.8709 21.8709 22.6254 22.6254 22.8074 22.8074 23.9187 23.9187 24.0667 24.0667 24.3364 24.3364 24.4157 24.4157 k = 0.2143 0.2143-0.0000 ( 3023 PWs) bands (ev): -57.8888 -57.8888 -57.8493 -57.8493 -57.8447 -57.8447 -41.7014 -41.7014 -28.5545 -28.5545 -28.5400 -28.5400 -28.4267 -28.4267 -24.8758 -24.8758 -24.7216 -24.7216 -24.6923 -24.6923 -24.4645 -24.4645 -24.4358 -24.4358 -24.4130 -24.4130 -15.9957 -15.9957 -8.2674 -8.2674 -8.2519 -8.2519 10.2495 10.2495 14.5495 14.5495 15.4466 15.4466 15.4986 15.4986 15.8644 15.8644 15.9043 15.9043 16.1131 16.1131 16.2185 16.2185 17.5543 17.5543 17.5703 17.5703 18.2011 18.2011 18.5117 18.5117 18.7397 18.7397 18.9701 18.9701 19.3921 19.3921 20.1354 20.1354 20.4038 20.4038 21.8573 21.8573 22.5785 22.5785 22.8434 22.8434 23.9288 23.9288 24.1130 24.1130 24.3686 24.3686 24.4400 24.4400 k = 0.2054 0.2054-0.0000 ( 3027 PWs) bands (ev): -57.8896 -57.8896 -57.8488 -57.8488 -57.8445 -57.8445 -41.7014 -41.7014 -28.5552 -28.5552 -28.5415 -28.5415 -28.4245 -28.4245 -24.8787 -24.8787 -24.7202 -24.7202 -24.6929 -24.6929 -24.4620 -24.4620 -24.4350 -24.4350 -24.4140 -24.4140 -15.9952 -15.9952 -8.2658 -8.2658 -8.2510 -8.2510 10.1904 10.1904 14.4854 14.4854 15.4511 15.4511 15.4907 15.4907 15.8233 15.8233 15.8768 15.8768 16.0597 16.0597 16.3168 16.3168 17.5957 17.5957 17.6039 17.6039 18.2536 18.2536 18.4919 18.4919 18.7405 18.7405 19.0041 19.0041 19.4403 19.4403 20.1822 20.1822 20.4405 20.4405 21.8417 21.8417 22.5184 22.5184 22.8910 22.8910 23.9364 23.9364 24.1610 24.1610 24.3856 24.3856 24.4849 24.4849 k = 0.1964 0.1964-0.0000 ( 3025 PWs) bands (ev): -57.8904 -57.8904 -57.8482 -57.8482 -57.8442 -57.8442 -41.7014 -41.7014 -28.5558 -28.5558 -28.5431 -28.5431 -28.4224 -28.4224 -24.8816 -24.8816 -24.7189 -24.7189 -24.6936 -24.6936 -24.4595 -24.4595 -24.4342 -24.4342 -24.4150 -24.4150 -15.9947 -15.9947 -8.2641 -8.2641 -8.2501 -8.2501 10.1331 10.1331 14.4228 14.4228 15.4526 15.4526 15.4820 15.4820 15.7822 15.7822 15.8401 15.8401 16.0055 16.0055 16.4316 16.4316 17.6327 17.6327 17.6461 17.6461 18.3069 18.3069 18.4716 18.4716 18.7340 18.7340 19.0449 19.0449 19.4861 19.4861 20.2282 20.2282 20.4761 20.4761 21.8240 21.8240 22.4500 22.4500 22.9458 22.9458 23.9410 23.9410 24.2115 24.2115 24.3943 24.3943 24.5426 24.5426 k = 0.1875 0.1875-0.0000 ( 3027 PWs) bands (ev): -57.8911 -57.8911 -57.8477 -57.8477 -57.8440 -57.8440 -41.7014 -41.7014 -28.5564 -28.5564 -28.5446 -28.5446 -28.4203 -28.4203 -24.8845 -24.8845 -24.7176 -24.7176 -24.6943 -24.6943 -24.4570 -24.4570 -24.4334 -24.4334 -24.4159 -24.4159 -15.9943 -15.9943 -8.2624 -8.2624 -8.2492 -8.2492 10.0778 10.0778 14.3620 14.3620 15.4514 15.4514 15.4724 15.4724 15.7421 15.7421 15.8002 15.8002 15.9519 15.9519 16.5540 16.5540 17.6672 17.6672 17.6942 17.6942 18.3599 18.3599 18.4526 18.4526 18.7230 18.7230 19.0900 19.0900 19.5286 19.5286 20.2732 20.2732 20.5104 20.5104 21.8035 21.8035 22.3756 22.3756 23.0060 23.0060 23.9420 23.9420 24.2654 24.2654 24.4012 24.4012 24.6060 24.6060 k = 0.1786 0.1786-0.0000 ( 3035 PWs) bands (ev): -57.8918 -57.8918 -57.8472 -57.8472 -57.8438 -57.8438 -41.7014 -41.7014 -28.5570 -28.5570 -28.5461 -28.5461 -28.4183 -28.4183 -24.8873 -24.8873 -24.7163 -24.7163 -24.6949 -24.6949 -24.4545 -24.4545 -24.4326 -24.4326 -24.4168 -24.4168 -15.9938 -15.9938 -8.2607 -8.2607 -8.2484 -8.2484 10.0244 10.0244 14.3030 14.3030 15.4478 15.4478 15.4624 15.4624 15.7034 15.7034 15.7598 15.7598 15.8992 15.8992 16.6808 16.6808 17.7016 17.7016 17.7447 17.7447 18.4045 18.4045 18.4433 18.4433 18.7096 18.7096 19.1375 19.1375 19.5671 19.5671 20.3171 20.3171 20.5433 20.5433 21.7801 21.7801 22.2966 22.2966 23.0701 23.0701 23.9393 23.9393 24.3228 24.3228 24.4090 24.4090 24.6724 24.6724 k = 0.1696 0.1696-0.0000 ( 3043 PWs) bands (ev): -57.8925 -57.8925 -57.8468 -57.8468 -57.8436 -57.8436 -41.7014 -41.7014 -28.5576 -28.5576 -28.5475 -28.5475 -28.4163 -28.4163 -24.8900 -24.8900 -24.7151 -24.7151 -24.6956 -24.6956 -24.4520 -24.4520 -24.4319 -24.4319 -24.4176 -24.4176 -15.9933 -15.9933 -8.2590 -8.2590 -8.2475 -8.2475 9.9732 9.9732 14.2460 14.2460 15.4422 15.4422 15.4518 15.4518 15.6662 15.6662 15.7198 15.7198 15.8477 15.8477 16.8107 16.8107 17.7362 17.7362 17.7963 17.7963 18.4040 18.4040 18.4803 18.4803 18.6960 18.6960 19.1860 19.1860 19.6009 19.6009 20.3599 20.3599 20.5748 20.5748 21.7533 21.7533 22.2143 22.2143 23.1366 23.1366 23.9330 23.9330 24.3839 24.3839 24.4194 24.4194 24.7402 24.7402 k = 0.1607 0.1607-0.0000 ( 3037 PWs) bands (ev): -57.8931 -57.8931 -57.8463 -57.8463 -57.8434 -57.8434 -41.7014 -41.7014 -28.5581 -28.5581 -28.5489 -28.5489 -28.4144 -28.4144 -24.8927 -24.8927 -24.7139 -24.7139 -24.6963 -24.6963 -24.4495 -24.4495 -24.4312 -24.4312 -24.4184 -24.4184 -15.9928 -15.9928 -8.2573 -8.2573 -8.2467 -8.2467 9.9241 9.9241 14.1913 14.1913 15.4350 15.4350 15.4411 15.4411 15.6306 15.6306 15.6808 15.6808 15.7978 15.7978 16.9430 16.9430 17.7708 17.7708 17.8481 17.8481 18.3885 18.3885 18.5327 18.5327 18.6851 18.6851 19.2345 19.2345 19.6299 19.6299 20.4016 20.4016 20.6048 20.6048 21.7229 21.7229 22.1295 22.1295 23.2044 23.2044 23.9233 23.9233 24.4338 24.4338 24.4486 24.4486 24.8085 24.8085 k = 0.1518 0.1518-0.0000 ( 3041 PWs) bands (ev): -57.8938 -57.8938 -57.8459 -57.8459 -57.8433 -57.8433 -41.7014 -41.7014 -28.5586 -28.5586 -28.5503 -28.5503 -28.4127 -28.4127 -24.8953 -24.8953 -24.7128 -24.7128 -24.6969 -24.6969 -24.4472 -24.4472 -24.4305 -24.4305 -24.4191 -24.4191 -15.9923 -15.9923 -8.2556 -8.2556 -8.2459 -8.2459 9.8772 9.8772 14.1388 14.1388 15.4263 15.4263 15.4303 15.4303 15.5965 15.5965 15.6432 15.6432 15.7495 15.7495 17.0769 17.0769 17.8050 17.8050 17.8991 17.8991 18.3730 18.3730 18.5813 18.5813 18.6821 18.6821 19.2821 19.2821 19.6537 19.6537 20.4419 20.4419 20.6334 20.6334 21.6885 21.6885 22.0427 22.0427 23.2718 23.2718 23.9106 23.9106 24.4538 24.4538 24.5161 24.5161 24.8768 24.8768 k = 0.1429 0.1429-0.0000 ( 3041 PWs) bands (ev): -57.8944 -57.8944 -57.8455 -57.8455 -57.8431 -57.8431 -41.7014 -41.7014 -28.5591 -28.5591 -28.5516 -28.5516 -28.4110 -28.4110 -24.8978 -24.8978 -24.7118 -24.7118 -24.6976 -24.6976 -24.4449 -24.4449 -24.4299 -24.4299 -24.4198 -24.4198 -15.9919 -15.9919 -8.2539 -8.2539 -8.2451 -8.2451 9.8327 9.8327 14.0888 14.0888 15.4163 15.4163 15.4198 15.4198 15.5641 15.5641 15.6072 15.6072 15.7030 15.7030 17.2120 17.2120 17.8386 17.8386 17.9480 17.9480 18.3590 18.3590 18.6127 18.6127 18.7008 18.7008 19.3281 19.3281 19.6725 19.6725 20.4808 20.4808 20.6605 20.6605 21.6499 21.6499 21.9547 21.9547 23.3370 23.3370 23.8955 23.8955 24.4806 24.4806 24.5863 24.5863 24.9447 24.9447 k = 0.1339 0.1339-0.0000 ( 3029 PWs) bands (ev): -57.8949 -57.8949 -57.8450 -57.8450 -57.8429 -57.8429 -41.7014 -41.7014 -28.5595 -28.5595 -28.5529 -28.5529 -28.4093 -28.4093 -24.9001 -24.9001 -24.7108 -24.7108 -24.6982 -24.6982 -24.4426 -24.4426 -24.4293 -24.4293 -24.4204 -24.4204 -15.9914 -15.9914 -8.2523 -8.2523 -8.2443 -8.2443 9.7905 9.7905 14.0414 14.0414 15.4057 15.4057 15.4094 15.4094 15.5335 15.5335 15.5730 15.5730 15.6585 15.6585 17.3477 17.3477 17.8714 17.8714 17.9935 17.9935 18.3470 18.3470 18.6230 18.6230 18.7460 18.7460 19.3723 19.3723 19.6861 19.6861 20.5182 20.5182 20.6860 20.6860 21.6070 21.6070 21.8660 21.8660 23.3985 23.3985 23.8785 23.8785 24.5153 24.5153 24.6585 24.6585 25.0116 25.0116 k = 0.1250 0.1250-0.0000 ( 3029 PWs) bands (ev): -57.8954 -57.8954 -57.8447 -57.8447 -57.8428 -57.8428 -41.7014 -41.7014 -28.5599 -28.5599 -28.5541 -28.5541 -28.4078 -28.4078 -24.9024 -24.9024 -24.7098 -24.7098 -24.6988 -24.6988 -24.4405 -24.4405 -24.4287 -24.4287 -24.4210 -24.4210 -15.9909 -15.9909 -8.2507 -8.2507 -8.2436 -8.2436 9.7508 9.7508 13.9965 13.9965 15.3948 15.3948 15.3989 15.3989 15.5046 15.5046 15.5407 15.5407 15.6162 15.6162 17.4833 17.4833 17.9028 17.9028 18.0340 18.0340 18.3374 18.3374 18.6280 18.6280 18.8028 18.8028 19.4137 19.4137 19.6946 19.6946 20.5540 20.5540 20.7098 20.7098 21.5595 21.5595 21.7772 21.7772 23.4547 23.4547 23.8602 23.8602 24.5589 24.5589 24.7323 24.7323 25.0774 25.0774 k = 0.1161 0.1161-0.0000 ( 3025 PWs) bands (ev): -57.8959 -57.8959 -57.8443 -57.8443 -57.8426 -57.8426 -41.7014 -41.7014 -28.5603 -28.5603 -28.5552 -28.5552 -28.4063 -28.4063 -24.9045 -24.9045 -24.7089 -24.7089 -24.6994 -24.6994 -24.4384 -24.4384 -24.4282 -24.4282 -24.4215 -24.4215 -15.9905 -15.9905 -8.2492 -8.2492 -8.2429 -8.2429 9.7135 9.7135 13.9545 13.9545 15.3840 15.3840 15.3884 15.3884 15.4774 15.4774 15.5106 15.5106 15.5763 15.5763 17.6178 17.6178 17.9331 17.9331 18.0686 18.0686 18.3302 18.3302 18.6367 18.6367 18.8637 18.8637 19.4519 19.4519 19.6982 19.6982 20.5880 20.5880 20.7320 20.7320 21.5076 21.5076 21.6888 21.6888 23.5045 23.5045 23.8413 23.8413 24.6117 24.6117 24.8069 24.8069 25.1419 25.1419 k = 0.1071 0.1071-0.0000 ( 3021 PWs) bands (ev): -57.8963 -57.8963 -57.8439 -57.8439 -57.8425 -57.8425 -41.7014 -41.7014 -28.5607 -28.5607 -28.5562 -28.5562 -28.4050 -28.4050 -24.9066 -24.9066 -24.7081 -24.7081 -24.7000 -24.7000 -24.4365 -24.4365 -24.4277 -24.4277 -24.4220 -24.4220 -15.9901 -15.9901 -8.2477 -8.2477 -8.2422 -8.2422 9.6788 9.6788 13.9151 13.9151 15.3734 15.3734 15.3781 15.3781 15.4520 15.4520 15.4825 15.4825 15.5388 15.5388 17.7493 17.7493 17.9623 17.9623 18.0975 18.0975 18.3253 18.3253 18.6521 18.6521 18.9262 18.9262 19.4866 19.4866 19.6971 19.6971 20.6202 20.6202 20.7525 20.7525 21.4515 21.4515 21.6014 21.6014 23.5471 23.5471 23.8223 23.8223 24.6734 24.6734 24.8817 24.8817 25.2048 25.2048 k = 0.0982 0.0982-0.0000 ( 3019 PWs) bands (ev): -57.8968 -57.8968 -57.8436 -57.8436 -57.8424 -57.8424 -41.7014 -41.7014 -28.5610 -28.5610 -28.5572 -28.5572 -28.4037 -28.4037 -24.9085 -24.9085 -24.7074 -24.7074 -24.7005 -24.7005 -24.4347 -24.4347 -24.4273 -24.4273 -24.4224 -24.4224 -15.9897 -15.9897 -8.2463 -8.2463 -8.2416 -8.2416 9.6467 9.6467 13.8787 13.8787 15.3630 15.3630 15.3681 15.3681 15.4284 15.4284 15.4566 15.4566 15.5041 15.5041 17.8722 17.8722 17.9920 17.9920 18.1239 18.1239 18.3220 18.3220 18.6754 18.6754 18.9895 18.9895 19.5167 19.5167 19.6917 19.6917 20.6504 20.6504 20.7711 20.7711 21.3915 21.3915 21.5158 21.5158 23.5827 23.5827 23.8037 23.8037 24.7431 24.7431 24.9557 24.9557 25.2661 25.2661 k = 0.0893 0.0893-0.0000 ( 3021 PWs) bands (ev): -57.8972 -57.8972 -57.8433 -57.8433 -57.8423 -57.8423 -41.7014 -41.7014 -28.5613 -28.5613 -28.5582 -28.5582 -28.4026 -28.4026 -24.9102 -24.9102 -24.7067 -24.7067 -24.7010 -24.7010 -24.4330 -24.4330 -24.4269 -24.4269 -24.4228 -24.4228 -15.9893 -15.9893 -8.2450 -8.2450 -8.2411 -8.2411 9.6172 9.6172 13.8452 13.8452 15.3530 15.3530 15.3585 15.3585 15.4065 15.4065 15.4331 15.4331 15.4721 15.4721 17.9670 17.9670 18.0295 18.0295 18.1601 18.1601 18.3198 18.3198 18.7061 18.7061 19.0528 19.0528 19.5416 19.5416 19.6824 19.6824 20.6785 20.6785 20.7878 20.7878 21.3284 21.3284 21.4325 21.4325 23.6116 23.6116 23.7860 23.7860 24.8191 24.8191 25.0279 25.0279 25.3258 25.3258 k = 0.0804 0.0804-0.0000 ( 3021 PWs) bands (ev): -57.8976 -57.8976 -57.8430 -57.8430 -57.8422 -57.8422 -41.7014 -41.7014 -28.5615 -28.5615 -28.5590 -28.5590 -28.4016 -28.4016 -24.9118 -24.9118 -24.7061 -24.7061 -24.7014 -24.7014 -24.4314 -24.4314 -24.4265 -24.4265 -24.4231 -24.4231 -15.9890 -15.9890 -8.2438 -8.2438 -8.2406 -8.2406 9.5903 9.5903 13.8147 13.8147 15.3434 15.3434 15.3495 15.3495 15.3864 15.3864 15.4119 15.4119 15.4431 15.4431 18.0112 18.0112 18.0708 18.0708 18.2336 18.2336 18.3183 18.3183 18.7431 18.7431 19.1155 19.1155 19.5605 19.5605 19.6700 19.6700 20.7044 20.7044 20.8024 20.8024 21.2630 21.2630 21.3523 21.3523 23.6345 23.6345 23.7695 23.7695 24.8996 24.8996 25.0971 25.0971 25.3839 25.3839 k = 0.0714 0.0714-0.0000 ( 3019 PWs) bands (ev): -57.8979 -57.8979 -57.8428 -57.8428 -57.8421 -57.8421 -41.7014 -41.7014 -28.5618 -28.5618 -28.5598 -28.5598 -28.4006 -28.4006 -24.9133 -24.9133 -24.7055 -24.7055 -24.7018 -24.7018 -24.4300 -24.4300 -24.4262 -24.4262 -24.4234 -24.4234 -15.9886 -15.9886 -8.2427 -8.2427 -8.2401 -8.2401 9.5662 9.5662 13.7872 13.7872 15.3343 15.3343 15.3411 15.3411 15.3680 15.3680 15.3933 15.3933 15.4173 15.4173 18.0342 18.0342 18.0897 18.0897 18.3162 18.3162 18.3428 18.3428 18.7847 18.7847 19.1767 19.1767 19.5720 19.5720 19.6557 19.6557 20.7280 20.7280 20.8146 20.8146 21.1970 21.1970 21.2760 21.2760 23.6524 23.6524 23.7545 23.7545 24.9823 24.9823 25.1621 25.1621 25.4403 25.4403 k = 0.0625 0.0625-0.0000 ( 3015 PWs) bands (ev): -57.8982 -57.8982 -57.8425 -57.8425 -57.8420 -57.8420 -41.7014 -41.7014 -28.5620 -28.5620 -28.5604 -28.5604 -28.3998 -28.3998 -24.9146 -24.9146 -24.7050 -24.7050 -24.7022 -24.7022 -24.4288 -24.4288 -24.4259 -24.4259 -24.4237 -24.4237 -15.9883 -15.9883 -8.2417 -8.2417 -8.2397 -8.2397 9.5448 9.5448 13.7629 13.7629 15.3257 15.3257 15.3334 15.3334 15.3514 15.3514 15.3772 15.3772 15.3947 15.3947 18.0508 18.0508 18.0962 18.0962 18.3159 18.3159 18.4609 18.4609 18.8291 18.8291 19.2355 19.2355 19.5744 19.5744 19.6410 19.6410 20.7493 20.7493 20.8240 20.8240 21.1323 21.1323 21.2044 21.2044 23.6662 23.6662 23.7412 23.7412 25.0649 25.0649 25.2216 25.2216 25.4947 25.4947 k = 0.0536 0.0536-0.0000 ( 3009 PWs) bands (ev): -57.8985 -57.8985 -57.8423 -57.8423 -57.8419 -57.8419 -41.7014 -41.7014 -28.5622 -28.5622 -28.5610 -28.5610 -28.3991 -28.3991 -24.9157 -24.9157 -24.7046 -24.7046 -24.7025 -24.7025 -24.4277 -24.4277 -24.4256 -24.4256 -24.4239 -24.4239 -15.9881 -15.9881 -8.2408 -8.2408 -8.2393 -8.2393 9.5263 9.5263 13.7418 13.7418 15.3178 15.3178 15.3263 15.3263 15.3366 15.3366 15.3636 15.3636 15.3756 15.3756 18.0637 18.0637 18.0979 18.0979 18.3155 18.3155 18.5796 18.5796 18.8744 18.8744 19.2907 19.2907 19.5663 19.5663 19.6277 19.6277 20.7679 20.7679 20.8297 20.8297 21.0717 21.0717 21.1385 21.1385 23.6765 23.6765 23.7297 23.7297 25.1449 25.1449 25.2743 25.2743 25.5468 25.5468 k = 0.0446 0.0446-0.0000 ( 3013 PWs) bands (ev): -57.8987 -57.8987 -57.8422 -57.8422 -57.8419 -57.8419 -41.7014 -41.7014 -28.5623 -28.5623 -28.5615 -28.5615 -28.3985 -28.3985 -24.9166 -24.9166 -24.7043 -24.7043 -24.7028 -24.7028 -24.4268 -24.4268 -24.4254 -24.4254 -24.4240 -24.4240 -15.9879 -15.9879 -8.2401 -8.2401 -8.2390 -8.2390 9.5105 9.5105 13.7238 13.7238 15.3106 15.3106 15.3199 15.3199 15.3236 15.3236 15.3524 15.3524 15.3600 15.3600 18.0735 18.0735 18.0974 18.0974 18.3156 18.3156 18.6939 18.6939 18.9189 18.9189 19.3406 19.3406 19.5491 19.5491 19.6150 19.6150 20.7837 20.7837 20.8303 20.8303 21.0188 21.0188 21.0791 21.0791 23.6841 23.6841 23.7199 23.7199 25.2197 25.2197 25.3194 25.3194 25.5953 25.5953 k = 0.0357 0.0357-0.0000 ( 3013 PWs) bands (ev): -57.8989 -57.8989 -57.8420 -57.8420 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5619 -28.5619 -28.3980 -28.3980 -24.9174 -24.9174 -24.7040 -24.7040 -24.7030 -24.7030 -24.4262 -24.4262 -24.4251 -24.4251 -24.4241 -24.4241 -15.9877 -15.9877 -8.2394 -8.2394 -8.2388 -8.2388 9.4976 9.4976 13.7090 13.7090 15.3043 15.3043 15.3126 15.3126 15.3143 15.3143 15.3436 15.3436 15.3479 15.3479 18.0809 18.0809 18.0961 18.0961 18.3160 18.3160 18.8011 18.8011 18.9607 18.9607 19.3830 19.3830 19.5263 19.5263 19.6016 19.6016 20.7966 20.7966 20.8240 20.8240 20.9778 20.9778 21.0278 21.0278 23.6897 23.6897 23.7119 23.7119 25.2866 25.2866 25.3564 25.3564 25.6388 25.6388 k = 0.0268 0.0268-0.0000 ( 3003 PWs) bands (ev): -57.8990 -57.8990 -57.8419 -57.8419 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5622 -28.5622 -28.3976 -28.3976 -24.9180 -24.9180 -24.7037 -24.7037 -24.7032 -24.7032 -24.4258 -24.4258 -24.4248 -24.4248 -24.4241 -24.4241 -15.9875 -15.9875 -8.2389 -8.2389 -8.2385 -8.2385 9.4875 9.4875 13.6975 13.6975 15.2992 15.2992 15.3038 15.3038 15.3097 15.3097 15.3370 15.3370 15.3391 15.3391 18.0861 18.0861 18.0946 18.0946 18.3166 18.3166 18.8972 18.8972 18.9976 18.9976 19.4154 19.4154 19.5008 19.5008 19.5882 19.5882 20.8050 20.8050 20.8120 20.8120 20.9514 20.9514 20.9860 20.9860 23.6935 23.6935 23.7058 23.7058 25.3429 25.3429 25.3852 25.3852 25.6756 25.6756 k = 0.0179 0.0179-0.0000 ( 2995 PWs) bands (ev): -57.8991 -57.8991 -57.8418 -57.8418 -57.8417 -57.8417 -41.7014 -41.7014 -28.5626 -28.5626 -28.5625 -28.5625 -28.3973 -28.3973 -24.9185 -24.9185 -24.7035 -24.7035 -24.7033 -24.7033 -24.4256 -24.4256 -24.4245 -24.4245 -24.4242 -24.4242 -15.9874 -15.9874 -8.2386 -8.2386 -8.2384 -8.2384 9.4803 9.4803 13.6893 13.6893 15.2954 15.2954 15.2974 15.2974 15.3062 15.3062 15.3324 15.3324 15.3332 15.3332 18.0896 18.0896 18.0934 18.0934 18.3172 18.3172 18.9773 18.9773 19.0271 19.0271 19.4354 19.4354 19.4754 19.4754 19.5779 19.5779 20.7926 20.7926 20.8150 20.8150 20.9375 20.9375 20.9550 20.9550 23.6961 23.6961 23.7015 23.7015 25.3858 25.3858 25.4056 25.4056 25.7036 25.7036 k = 0.0089 0.0089-0.0000 ( 2975 PWs) bands (ev): -57.8992 -57.8992 -57.8417 -57.8417 -57.8416 -57.8416 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9187 -24.9187 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2383 -8.2383 -8.2382 -8.2382 9.4761 9.4761 13.6844 13.6844 15.2931 15.2931 15.2935 15.2935 15.3041 15.3041 15.3298 15.3298 15.3300 15.3300 18.0916 18.0916 18.0925 18.0925 18.3177 18.3177 19.0329 19.0329 19.0466 19.0466 19.4441 19.4441 19.4546 19.4546 19.5729 19.5729 20.7797 20.7797 20.8192 20.8192 20.9314 20.9314 20.9361 20.9361 23.6976 23.6976 23.6989 23.6989 25.4127 25.4127 25.4179 25.4179 25.7212 25.7212 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -57.8992 -57.8992 -57.8416 -57.8416 -57.8416 -57.8416 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9188 -24.9188 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2382 -8.2382 -8.2382 -8.2382 9.4746 9.4746 13.6828 13.6828 15.2923 15.2923 15.2923 15.2923 15.3033 15.3033 15.3290 15.3290 15.3290 15.3290 18.0923 18.0923 18.0923 18.0923 18.3179 18.3179 19.0534 19.0534 19.0534 19.0534 19.4461 19.4461 19.4461 19.4461 19.5718 19.5718 20.7748 20.7748 20.8206 20.8206 20.9297 20.9297 20.9297 20.9297 23.6981 23.6981 23.6981 23.6981 25.4219 25.4219 25.4219 25.4219 25.7272 25.7272 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -57.8992 -57.8992 -57.8416 -57.8416 -57.8416 -57.8416 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9188 -24.9188 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2382 -8.2382 -8.2382 -8.2382 9.4746 9.4746 13.6828 13.6828 15.2923 15.2923 15.2923 15.2923 15.3033 15.3033 15.3290 15.3290 15.3290 15.3290 18.0923 18.0923 18.0923 18.0923 18.3179 18.3179 19.0534 19.0534 19.0534 19.0534 19.4461 19.4461 19.4461 19.4461 19.5718 19.5718 20.7748 20.7748 20.8206 20.8206 20.9297 20.9297 20.9297 20.9297 23.6981 23.6981 23.6981 23.6981 25.4219 25.4219 25.4219 25.4219 25.7272 25.7272 k = 0.0074 0.0074 0.0074 ( 2975 PWs) bands (ev): -57.8992 -57.8992 -57.8417 -57.8417 -57.8417 -57.8417 -41.7014 -41.7014 -28.5626 -28.5626 -28.5626 -28.5626 -28.3971 -28.3971 -24.9187 -24.9187 -24.7034 -24.7034 -24.7034 -24.7034 -24.4255 -24.4255 -24.4242 -24.4242 -24.4242 -24.4242 -15.9873 -15.9873 -8.2383 -8.2383 -8.2382 -8.2382 9.4761 9.4761 13.6844 13.6844 15.2930 15.2930 15.2936 15.2936 15.3041 15.3041 15.3298 15.3298 15.3300 15.3300 18.0916 18.0916 18.0926 18.0926 18.3177 18.3177 19.0380 19.0380 19.0408 19.0408 19.4466 19.4466 19.4526 19.4526 19.5727 19.5727 20.7797 20.7797 20.8192 20.8192 20.9313 20.9313 20.9363 20.9363 23.6981 23.6981 23.6985 23.6985 25.4131 25.4131 25.4172 25.4172 25.7210 25.7210 k = 0.0147 0.0147 0.0147 ( 2999 PWs) bands (ev): -57.8991 -57.8991 -57.8418 -57.8418 -57.8418 -57.8418 -41.7014 -41.7014 -28.5626 -28.5626 -28.5625 -28.5625 -28.3973 -28.3973 -24.9185 -24.9185 -24.7035 -24.7035 -24.7033 -24.7033 -24.4256 -24.4256 -24.4245 -24.4245 -24.4241 -24.4241 -15.9874 -15.9874 -8.2386 -8.2386 -8.2384 -8.2384 9.4804 9.4804 13.6894 13.6894 15.2953 15.2953 15.2975 15.2975 15.3062 15.3062 15.3325 15.3325 15.3333 15.3333 18.0895 18.0895 18.0934 18.0934 18.3172 18.3172 18.9954 18.9954 19.0048 19.0048 19.4477 19.4477 19.4690 19.4690 19.5749 19.5749 20.7924 20.7924 20.8151 20.8151 20.9373 20.9373 20.9559 20.9559 23.6982 23.6982 23.6994 23.6994 25.3871 25.3871 25.4034 25.4034 25.7030 25.7030 k = 0.0221 0.0221 0.0221 ( 3005 PWs) bands (ev): -57.8990 -57.8990 -57.8418 -57.8418 -57.8418 -57.8418 -41.7014 -41.7014 -28.5625 -28.5625 -28.5623 -28.5623 -28.3976 -28.3976 -24.9180 -24.9180 -24.7037 -24.7037 -24.7032 -24.7032 -24.4259 -24.4259 -24.4248 -24.4248 -24.4241 -24.4241 -15.9876 -15.9876 -8.2389 -8.2389 -8.2386 -8.2386 9.4878 9.4878 13.6978 13.6978 15.2990 15.2990 15.3042 15.3042 15.3097 15.3097 15.3372 15.3372 15.3394 15.3394 18.0858 18.0858 18.0947 18.0947 18.3166 18.3166 18.9330 18.9330 18.9491 18.9491 19.4482 19.4482 19.4888 19.4888 19.5771 19.5771 20.8009 20.8009 20.8154 20.8154 20.9521 20.9521 20.9878 20.9878 23.6983 23.6983 23.7012 23.7012 25.3458 25.3458 25.3808 25.3808 25.6738 25.6738 k = 0.0294 0.0294 0.0294 ( 3005 PWs) bands (ev): -57.8989 -57.8989 -57.8419 -57.8419 -57.8419 -57.8419 -41.7014 -41.7014 -28.5623 -28.5623 -28.5620 -28.5620 -28.3980 -28.3980 -24.9174 -24.9174 -24.7039 -24.7039 -24.7031 -24.7031 -24.4263 -24.4263 -24.4250 -24.4250 -24.4241 -24.4241 -15.9877 -15.9877 -8.2394 -8.2394 -8.2388 -8.2388 9.4980 9.4980 13.7095 13.7095 15.3041 15.3041 15.3132 15.3132 15.3143 15.3143 15.3443 15.3443 15.3484 15.3484 18.0804 18.0804 18.0961 18.0961 18.3160 18.3160 18.8573 18.8573 18.8783 18.8783 19.4470 19.4470 19.5071 19.5071 19.5778 19.5778 20.7901 20.7901 20.8280 20.8280 20.9805 20.9805 21.0306 21.0306 23.6983 23.6983 23.7036 23.7036 25.2910 25.2910 25.3501 25.3501 25.6347 25.6347 k = 0.0368 0.0368 0.0368 ( 3011 PWs) bands (ev): -57.8987 -57.8987 -57.8420 -57.8420 -57.8420 -57.8420 -41.7014 -41.7014 -28.5621 -28.5621 -28.5617 -28.5617 -28.3985 -28.3985 -24.9166 -24.9166 -24.7042 -24.7042 -24.7029 -24.7029 -24.4271 -24.4271 -24.4250 -24.4250 -24.4240 -24.4240 -15.9879 -15.9879 -8.2399 -8.2399 -8.2392 -8.2392 9.5111 9.5111 13.7245 13.7245 15.3101 15.3101 15.3197 15.3197 15.3237 15.3237 15.3542 15.3542 15.3608 15.3608 18.0729 18.0729 18.0972 18.0972 18.3157 18.3157 18.7731 18.7731 18.7963 18.7963 19.4438 19.4438 19.5212 19.5212 19.5761 19.5761 20.7722 20.7722 20.8368 20.8368 21.0243 21.0243 21.0828 21.0828 23.6979 23.6979 23.7065 23.7065 25.2253 25.2253 25.3120 25.3120 25.5872 25.5872 k = 0.0441 0.0441 0.0441 ( 3014 PWs) bands (ev): -57.8984 -57.8984 -57.8421 -57.8421 -57.8421 -57.8421 -41.7014 -41.7014 -28.5619 -28.5619 -28.5613 -28.5613 -28.3991 -28.3991 -24.9156 -24.9156 -24.7045 -24.7045 -24.7026 -24.7026 -24.4282 -24.4282 -24.4251 -24.4251 -24.4240 -24.4240 -15.9881 -15.9881 -8.2406 -8.2406 -8.2396 -8.2396 9.5272 9.5272 13.7428 13.7428 15.3171 15.3171 15.3261 15.3261 15.3351 15.3351 15.3677 15.3677 15.3764 15.3764 18.0629 18.0629 18.0968 18.0968 18.3152 18.3152 18.6841 18.6841 18.7064 18.7064 19.4383 19.4383 19.5298 19.5298 19.5712 19.5712 20.7489 20.7489 20.8411 20.8411 21.0803 21.0803 21.1425 21.1425 23.6968 23.6968 23.7099 23.7099 25.1508 25.1508 25.2677 25.2677 25.5330 25.5330 k = 0.0515 0.0515 0.0515 ( 3014 PWs) bands (ev): -57.8982 -57.8982 -57.8423 -57.8423 -57.8423 -57.8423 -41.7014 -41.7014 -28.5616 -28.5616 -28.5608 -28.5608 -28.3999 -28.3999 -24.9145 -24.9145 -24.7049 -24.7049 -24.7024 -24.7024 -24.4295 -24.4295 -24.4250 -24.4250 -24.4239 -24.4239 -15.9884 -15.9884 -8.2415 -8.2415 -8.2400 -8.2400 9.5461 9.5461 13.7644 13.7644 15.3246 15.3246 15.3339 15.3339 15.3469 15.3469 15.3853 15.3853 15.3954 15.3954 18.0502 18.0502 18.0935 18.0935 18.3136 18.3136 18.5938 18.5938 18.6125 18.6125 19.4306 19.4306 19.5328 19.5328 19.5632 19.5632 20.7206 20.7206 20.8425 20.8425 21.1446 21.1446 21.2081 21.2081 23.6948 23.6948 23.7135 23.7135 25.0695 25.0695 25.2183 25.2183 25.4740 25.4740 k = 0.0588 0.0588 0.0588 ( 3014 PWs) bands (ev): -57.8979 -57.8979 -57.8424 -57.8424 -57.8424 -57.8424 -41.7014 -41.7014 -28.5613 -28.5613 -28.5602 -28.5602 -28.4007 -28.4007 -24.9132 -24.9132 -24.7053 -24.7053 -24.7020 -24.7020 -24.4309 -24.4309 -24.4250 -24.4250 -24.4238 -24.4238 -15.9886 -15.9886 -8.2424 -8.2424 -8.2405 -8.2405 9.5679 9.5679 13.7892 13.7892 15.3322 15.3322 15.3431 15.3431 15.3588 15.3588 15.4068 15.4068 15.4175 15.4175 18.0346 18.0346 18.0841 18.0841 18.3071 18.3071 18.5068 18.5068 18.5202 18.5202 19.4203 19.4203 19.5302 19.5302 19.5522 19.5522 20.6874 20.6874 20.8425 20.8425 21.2138 21.2138 21.2778 21.2778 23.6911 23.6911 23.7171 23.7171 24.9830 24.9830 25.1650 25.1650 25.4121 25.4121 k = 0.0662 0.0662 0.0662 ( 3020 PWs) bands (ev): -57.8975 -57.8975 -57.8426 -57.8426 -57.8426 -57.8426 -41.7014 -41.7014 -28.5609 -28.5609 -28.5596 -28.5596 -28.4017 -28.4017 -24.9117 -24.9117 -24.7058 -24.7058 -24.7017 -24.7017 -24.4326 -24.4326 -24.4249 -24.4249 -24.4236 -24.4236 -15.9890 -15.9890 -8.2434 -8.2434 -8.2411 -8.2411 9.5924 9.5924 13.8171 13.8171 15.3398 15.3398 15.3539 15.3539 15.3711 15.3711 15.4319 15.4319 15.4427 15.4427 18.0161 18.0161 18.0636 18.0636 18.2829 18.2829 18.4293 18.4293 18.4441 18.4441 19.4074 19.4074 19.5225 19.5225 19.5385 19.5385 20.6496 20.6496 20.8415 20.8415 21.2854 21.2854 21.3500 21.3500 23.6852 23.6852 23.7203 23.7203 24.8926 24.8926 25.1094 25.1094 25.3495 25.3495 k = 0.0735 0.0735 0.0735 ( 3020 PWs) bands (ev): -57.8972 -57.8972 -57.8428 -57.8428 -57.8428 -57.8428 -41.7014 -41.7014 -28.5605 -28.5605 -28.5589 -28.5589 -28.4027 -28.4027 -24.9101 -24.9101 -24.7064 -24.7064 -24.7013 -24.7013 -24.4345 -24.4345 -24.4248 -24.4248 -24.4235 -24.4235 -15.9893 -15.9893 -8.2446 -8.2446 -8.2417 -8.2417 9.6198 9.6198 13.8482 13.8482 15.3476 15.3476 15.3659 15.3659 15.3839 15.3839 15.4605 15.4605 15.4710 15.4710 17.9944 17.9944 18.0251 18.0251 18.2205 18.2205 18.3691 18.3691 18.4063 18.4063 19.3916 19.3916 19.5102 19.5102 19.5224 19.5224 20.6078 20.6078 20.8400 20.8400 21.3578 21.3578 21.4233 21.4233 23.6764 23.6764 23.7225 23.7225 24.7996 24.7996 25.0530 25.0530 25.2882 25.2882 k = 0.0809 0.0809 0.0809 ( 3038 PWs) bands (ev): -57.8968 -57.8968 -57.8430 -57.8430 -57.8430 -57.8430 -41.7014 -41.7014 -28.5600 -28.5600 -28.5581 -28.5581 -28.4039 -28.4039 -24.9083 -24.9083 -24.7070 -24.7070 -24.7009 -24.7009 -24.4365 -24.4365 -24.4246 -24.4246 -24.4233 -24.4233 -15.9897 -15.9897 -8.2458 -8.2458 -8.2424 -8.2424 9.6498 9.6498 13.8823 13.8823 15.3555 15.3555 15.3789 15.3789 15.3970 15.3970 15.4922 15.4922 15.5021 15.5021 17.9644 17.9644 17.9685 17.9685 18.1290 18.1290 18.3310 18.3310 18.3991 18.3991 19.3727 19.3727 19.4936 19.4936 19.5044 19.5044 20.5620 20.5620 20.8379 20.8379 21.4293 21.4293 21.4963 21.4963 23.6636 23.6636 23.7230 23.7230 24.7048 24.7048 24.9974 24.9974 25.2304 25.2304 k = 0.0882 0.0882 0.0882 ( 3038 PWs) bands (ev): -57.8964 -57.8964 -57.8433 -57.8433 -57.8433 -57.8433 -41.7014 -41.7014 -28.5596 -28.5596 -28.5572 -28.5572 -28.4051 -28.4051 -24.9064 -24.9064 -24.7077 -24.7077 -24.7004 -24.7004 -24.4387 -24.4387 -24.4245 -24.4245 -24.4231 -24.4231 -15.9901 -15.9901 -8.2471 -8.2471 -8.2431 -8.2431 9.6826 9.6826 13.9195 13.9195 15.3636 15.3636 15.3928 15.3928 15.4105 15.4105 15.5270 15.5270 15.5362 15.5362 17.8850 17.8850 17.9356 17.9356 18.0311 18.0311 18.3123 18.3123 18.4046 18.4046 19.3505 19.3505 19.4734 19.4734 19.4848 19.4848 20.5127 20.5127 20.8357 20.8357 21.4991 21.4991 21.5682 21.5682 23.6461 23.6461 23.7209 23.7209 24.6088 24.6088 24.9446 24.9446 25.1783 25.1783 k = 0.0956 0.0956 0.0956 ( 3038 PWs) bands (ev): -57.8959 -57.8959 -57.8435 -57.8435 -57.8435 -57.8435 -41.7014 -41.7014 -28.5590 -28.5590 -28.5563 -28.5563 -28.4065 -28.4065 -24.9044 -24.9044 -24.7084 -24.7084 -24.6999 -24.6999 -24.4411 -24.4411 -24.4243 -24.4243 -24.4229 -24.4229 -15.9905 -15.9905 -8.2485 -8.2485 -8.2439 -8.2439 9.7181 9.7181 13.9595 13.9595 15.3719 15.3719 15.4072 15.4072 15.4242 15.4242 15.5647 15.5647 15.5730 15.5730 17.7937 17.7937 17.8771 17.8771 17.9528 17.9528 18.3067 18.3067 18.4156 18.4156 19.3250 19.3250 19.4498 19.4498 19.4637 19.4637 20.4602 20.4602 20.8332 20.8332 21.5661 21.5661 21.6379 21.6379 23.6228 23.6228 23.7152 23.7152 24.5122 24.5122 24.8963 24.8963 25.1338 25.1338 k = 0.1029 0.1029 0.1029 ( 3029 PWs) bands (ev): -57.8953 -57.8953 -57.8437 -57.8437 -57.8437 -57.8437 -41.7014 -41.7014 -28.5585 -28.5585 -28.5554 -28.5554 -28.4080 -28.4080 -24.9022 -24.9022 -24.7092 -24.7092 -24.6994 -24.6994 -24.4437 -24.4437 -24.4241 -24.4241 -24.4226 -24.4226 -15.9909 -15.9909 -8.2499 -8.2499 -8.2446 -8.2446 9.7562 9.7562 14.0024 14.0024 15.3803 15.3803 15.4219 15.4219 15.4379 15.4379 15.6051 15.6051 15.6125 15.6125 17.6965 17.6965 17.7818 17.7818 17.9087 17.9087 18.3089 18.3089 18.4299 18.4299 19.2962 19.2962 19.4233 19.4233 19.4415 19.4415 20.4046 20.4046 20.8305 20.8305 21.6299 21.6299 21.7047 21.7047 23.5933 23.5933 23.7047 23.7047 24.4153 24.4153 24.8547 24.8547 25.0985 25.0985 k = 0.1103 0.1103 0.1103 ( 3029 PWs) bands (ev): -57.8948 -57.8948 -57.8440 -57.8440 -57.8440 -57.8440 -41.7014 -41.7014 -28.5579 -28.5579 -28.5543 -28.5543 -28.4095 -28.4095 -24.9000 -24.9000 -24.7100 -24.7100 -24.6989 -24.6989 -24.4463 -24.4463 -24.4238 -24.4238 -24.4223 -24.4223 -15.9914 -15.9914 -8.2514 -8.2514 -8.2455 -8.2455 9.7968 9.7968 14.0480 14.0480 15.3886 15.3886 15.4366 15.4366 15.4510 15.4510 15.6481 15.6481 15.6546 15.6546 17.5970 17.5970 17.6757 17.6757 17.8744 17.8744 18.3158 18.3158 18.4463 18.4463 19.2642 19.2642 19.3943 19.3943 19.4180 19.4180 20.3463 20.3463 20.8277 20.8277 21.6898 21.6898 21.7680 21.7680 23.5570 23.5570 23.6881 23.6881 24.3186 24.3186 24.8214 24.8214 25.0736 25.0736 k = 0.1176 0.1176 0.1176 ( 3035 PWs) bands (ev): -57.8942 -57.8942 -57.8443 -57.8443 -57.8443 -57.8443 -41.7014 -41.7014 -28.5573 -28.5573 -28.5532 -28.5532 -28.4112 -28.4112 -24.8976 -24.8976 -24.7109 -24.7109 -24.6984 -24.6984 -24.4492 -24.4492 -24.4235 -24.4235 -24.4220 -24.4220 -15.9919 -15.9919 -8.2529 -8.2529 -8.2464 -8.2464 9.8399 9.8399 14.0963 14.0963 15.3967 15.3967 15.4509 15.4509 15.4633 15.4633 15.6935 15.6935 15.6991 15.6991 17.4977 17.4977 17.5687 17.5687 17.8416 17.8416 18.3252 18.3252 18.4643 18.4643 19.2291 19.2291 19.3630 19.3630 19.3932 19.3932 20.2855 20.2855 20.8246 20.8246 21.7455 21.7455 21.8272 21.8272 23.5141 23.5141 23.6646 23.6646 24.2222 24.2222 24.7980 24.7980 25.0597 25.0597 k = 0.1250 0.1250 0.1250 ( 3050 PWs) bands (ev): -57.8937 -57.8937 -57.8446 -57.8446 -57.8446 -57.8446 -41.7014 -41.7014 -28.5566 -28.5566 -28.5521 -28.5521 -28.4129 -28.4129 -24.8952 -24.8952 -24.7118 -24.7118 -24.6978 -24.6978 -24.4522 -24.4522 -24.4232 -24.4232 -24.4217 -24.4217 -15.9924 -15.9924 -8.2545 -8.2545 -8.2473 -8.2473 9.8855 9.8855 14.1470 14.1470 15.4045 15.4045 15.4644 15.4644 15.4742 15.4742 15.7411 15.7411 15.7458 15.7458 17.4004 17.4004 17.4633 17.4633 17.8088 17.8088 18.3361 18.3361 18.4832 18.4832 19.1911 19.1911 19.3298 19.3298 19.3671 19.3671 20.2225 20.2225 20.8214 20.8214 21.7967 21.7967 21.8821 21.8821 23.4650 23.4650 23.6337 23.6337 24.1263 24.1263 24.7853 24.7853 25.0570 25.0570 k = 0.1324 0.1324 0.1324 ( 3044 PWs) bands (ev): -57.8931 -57.8931 -57.8449 -57.8449 -57.8449 -57.8449 -41.7014 -41.7014 -28.5560 -28.5560 -28.5509 -28.5509 -28.4147 -28.4147 -24.8926 -24.8926 -24.7127 -24.7127 -24.6973 -24.6973 -24.4553 -24.4553 -24.4228 -24.4228 -24.4213 -24.4213 -15.9928 -15.9928 -8.2561 -8.2561 -8.2482 -8.2482 9.9335 9.9335 14.2000 14.2000 15.4119 15.4119 15.4765 15.4765 15.4830 15.4830 15.7908 15.7908 15.7947 15.7947 17.3069 17.3069 17.3612 17.3612 17.7760 17.7760 18.3478 18.3478 18.5033 18.5033 19.1509 19.1509 19.2953 19.2953 19.3399 19.3399 20.1575 20.1575 20.8180 20.8180 21.8436 21.8436 21.9326 21.9326 23.4107 23.4107 23.5953 23.5953 24.0315 24.0315 24.7837 24.7837 25.0648 25.0648 k = 0.1397 0.1397 0.1397 ( 3038 PWs) bands (ev): -57.8924 -57.8924 -57.8453 -57.8453 -57.8453 -57.8453 -41.7014 -41.7014 -28.5553 -28.5553 -28.5496 -28.5496 -28.4166 -28.4166 -24.8901 -24.8901 -24.7137 -24.7137 -24.6967 -24.6967 -24.4585 -24.4585 -24.4224 -24.4224 -24.4208 -24.4208 -15.9933 -15.9933 -8.2577 -8.2577 -8.2492 -8.2492 9.9838 9.9838 14.2553 14.2553 15.4187 15.4187 15.4867 15.4867 15.4891 15.4891 15.8423 15.8423 15.8455 15.8455 17.2184 17.2184 17.2636 17.2636 17.7430 17.7430 18.3596 18.3596 18.5239 18.5239 19.1085 19.1085 19.2598 19.2598 19.3114 19.3114 20.0907 20.0907 20.8145 20.8145 21.8860 21.8860 21.9784 21.9784 23.3521 23.3521 23.5503 23.5503 23.9378 23.9378 24.7927 24.7927 25.0823 25.0823 k = 0.1471 0.1471 0.1471 ( 3032 PWs) bands (ev): -57.8917 -57.8917 -57.8456 -57.8456 -57.8456 -57.8456 -41.7014 -41.7014 -28.5546 -28.5546 -28.5484 -28.5484 -28.4186 -28.4186 -24.8874 -24.8874 -24.7147 -24.7147 -24.6962 -24.6962 -24.4618 -24.4618 -24.4219 -24.4219 -24.4203 -24.4203 -15.9937 -15.9937 -8.2593 -8.2593 -8.2501 -8.2501 10.0364 10.0364 14.3125 14.3125 15.4247 15.4247 15.4913 15.4913 15.4941 15.4941 15.8952 15.8952 15.8980 15.8980 17.1366 17.1366 17.1719 17.1719 17.7099 17.7099 18.3708 18.3708 18.5448 18.5448 19.0643 19.0643 19.2236 19.2236 19.2817 19.2817 20.0225 20.0225 20.8109 20.8109 21.9239 21.9239 22.0196 22.0196 23.2905 23.2905 23.4994 23.4994 23.8456 23.8456 24.8115 24.8115 25.1083 25.1083 k = 0.1544 0.1544 0.1544 ( 3032 PWs) bands (ev): -57.8910 -57.8910 -57.8459 -57.8459 -57.8459 -57.8459 -41.7014 -41.7014 -28.5538 -28.5538 -28.5470 -28.5470 -28.4206 -28.4206 -24.8847 -24.8847 -24.7157 -24.7157 -24.6956 -24.6956 -24.4653 -24.4653 -24.4213 -24.4213 -24.4197 -24.4197 -15.9942 -15.9942 -8.2609 -8.2609 -8.2511 -8.2511 10.0911 10.0911 14.3715 14.3715 15.4295 15.4295 15.4887 15.4887 15.4980 15.4980 15.9492 15.9492 15.9516 15.9516 17.0631 17.0631 17.0874 17.0874 17.6768 17.6768 18.3809 18.3809 18.5655 18.5655 19.0186 19.0186 19.1872 19.1872 19.2509 19.2509 19.9530 19.9530 20.8071 20.8071 21.9575 21.9575 22.0562 22.0562 23.2269 23.2269 23.4440 23.4440 23.7553 23.7553 24.8388 24.8388 25.1415 25.1415 k = 0.1618 0.1618 0.1618 ( 3032 PWs) bands (ev): -57.8902 -57.8902 -57.8463 -57.8463 -57.8463 -57.8463 -41.7014 -41.7014 -28.5531 -28.5531 -28.5457 -28.5457 -28.4227 -28.4227 -24.8821 -24.8821 -24.7167 -24.7167 -24.6951 -24.6951 -24.4688 -24.4688 -24.4208 -24.4208 -24.4191 -24.4191 -15.9947 -15.9947 -8.2624 -8.2624 -8.2521 -8.2521 10.1480 10.1480 14.4321 14.4321 15.4328 15.4328 15.4802 15.4802 15.4975 15.4975 16.0037 16.0037 16.0061 16.0061 16.9995 16.9995 17.0119 17.0119 17.6440 17.6440 18.3892 18.3892 18.5855 18.5855 18.9719 18.9719 19.1511 19.1511 19.2193 19.2193 19.8823 19.8823 20.8033 20.8033 21.9870 21.9870 22.0884 22.0884 23.1625 23.1625 23.3855 23.3855 23.6671 23.6671 24.8732 24.8732 25.1806 25.1806 k = 0.1691 0.1691 0.1691 ( 3047 PWs) bands (ev): -57.8895 -57.8895 -57.8467 -57.8467 -57.8467 -57.8467 -41.7014 -41.7014 -28.5524 -28.5524 -28.5443 -28.5443 -28.4249 -28.4249 -24.8794 -24.8794 -24.7178 -24.7178 -24.6946 -24.6946 -24.4724 -24.4724 -24.4201 -24.4201 -24.4185 -24.4185 -15.9951 -15.9951 -8.2641 -8.2641 -8.2531 -8.2531 10.2069 10.2069 14.4941 14.4941 15.4337 15.4337 15.4646 15.4646 15.4922 15.4922 16.0583 16.0583 16.0607 16.0607 16.9471 16.9471 16.9477 16.9477 17.6115 17.6115 18.3951 18.3951 18.6041 18.6041 18.9248 18.9248 19.1156 19.1156 19.1871 19.1871 19.8108 19.8108 20.7993 20.7993 22.0123 22.0123 22.1163 22.1163 23.0983 23.0983 23.3249 23.3249 23.5813 23.5813 24.9132 24.9132 25.2243 25.2243 k = 0.1765 0.1765 0.1765 ( 3047 PWs) bands (ev): -57.8887 -57.8887 -57.8471 -57.8471 -57.8471 -57.8471 -41.7014 -41.7014 -28.5516 -28.5516 -28.5429 -28.5429 -28.4272 -28.4272 -24.8767 -24.8767 -24.7188 -24.7188 -24.6941 -24.6941 -24.4761 -24.4761 -24.4194 -24.4194 -24.4178 -24.4178 -15.9956 -15.9956 -8.2656 -8.2656 -8.2541 -8.2541 10.2679 10.2679 14.5570 14.5570 15.4301 15.4301 15.4411 15.4411 15.4831 15.4831 16.1123 16.1123 16.1148 16.1148 16.8951 16.8951 16.9093 16.9093 17.5795 17.5795 18.3981 18.3981 18.6203 18.6203 18.8786 18.8786 19.0818 19.0818 19.1548 19.1548 19.7387 19.7387 20.7952 20.7952 22.0342 22.0342 22.1404 22.1404 23.0350 23.0350 23.2637 23.2637 23.4983 23.4983 24.9578 24.9578 25.2714 25.2714 k = 0.1838 0.1838 0.1838 ( 3047 PWs) bands (ev): -57.8879 -57.8879 -57.8475 -57.8475 -57.8475 -57.8475 -41.7014 -41.7014 -28.5508 -28.5508 -28.5414 -28.5414 -28.4294 -28.4294 -24.8741 -24.8741 -24.7198 -24.7198 -24.6936 -24.6936 -24.4799 -24.4799 -24.4187 -24.4187 -24.4170 -24.4170 -15.9960 -15.9960 -8.2671 -8.2671 -8.2551 -8.2551 10.3307 10.3307 14.6205 14.6205 15.4090 15.4090 15.4179 15.4179 15.4731 15.4731 16.1649 16.1649 16.1676 16.1676 16.8575 16.8575 16.8856 16.8856 17.5479 17.5479 18.3974 18.3974 18.6318 18.6318 18.8353 18.8353 19.0501 19.0501 19.1226 19.1226 19.6661 19.6661 20.7910 20.7910 22.0525 22.0525 22.1607 22.1607 22.9735 22.9735 23.2027 23.2027 23.4184 23.4184 25.0055 25.0055 25.3208 25.3208 k = 0.1912 0.1912 0.1912 ( 3052 PWs) bands (ev): -57.8871 -57.8871 -57.8479 -57.8479 -57.8479 -57.8479 -41.7014 -41.7014 -28.5501 -28.5501 -28.5399 -28.5399 -28.4318 -28.4318 -24.8716 -24.8716 -24.7207 -24.7207 -24.6931 -24.6931 -24.4837 -24.4837 -24.4179 -24.4179 -24.4162 -24.4162 -15.9964 -15.9964 -8.2685 -8.2685 -8.2561 -8.2561 10.3953 10.3953 14.6844 14.6844 15.3681 15.3681 15.3928 15.3928 15.4659 15.4659 16.2157 16.2157 16.2180 16.2180 16.8360 16.8360 16.8774 16.8774 17.5170 17.5170 18.3925 18.3925 18.6341 18.6341 18.7992 18.7992 19.0211 19.0211 19.0912 19.0912 19.5933 19.5933 20.7868 20.7868 22.0675 22.0675 22.1776 22.1776 22.9143 22.9143 23.1428 23.1428 23.3416 23.3416 25.0553 25.0553 25.3713 25.3713 k = 0.1985 0.1985 0.1985 ( 3058 PWs) bands (ev): -57.8863 -57.8863 -57.8484 -57.8484 -57.8484 -57.8484 -41.7013 -41.7013 -28.5493 -28.5493 -28.5384 -28.5384 -28.4341 -28.4341 -24.8691 -24.8691 -24.7216 -24.7216 -24.6927 -24.6927 -24.4876 -24.4876 -24.4170 -24.4170 -24.4153 -24.4153 -15.9967 -15.9967 -8.2699 -8.2699 -8.2570 -8.2570 10.4616 10.4616 14.7479 14.7479 15.3188 15.3188 15.3550 15.3550 15.4613 15.4613 16.2640 16.2640 16.2652 16.2652 16.8314 16.8314 16.8847 16.8847 17.4868 17.4868 18.3827 18.3827 18.6211 18.6211 18.7764 18.7764 18.9953 18.9953 19.0611 19.0611 19.5205 19.5205 20.7825 20.7825 22.0795 22.0795 22.1913 22.1913 22.8579 22.8579 23.0848 23.0848 23.2683 23.2683 25.1063 25.1063 25.4220 25.4220 k = 0.2059 0.2059 0.2059 ( 3052 PWs) bands (ev): -57.8854 -57.8854 -57.8488 -57.8488 -57.8488 -57.8488 -41.7013 -41.7013 -28.5486 -28.5486 -28.5369 -28.5369 -28.4365 -28.4365 -24.8667 -24.8667 -24.7225 -24.7225 -24.6923 -24.6923 -24.4915 -24.4915 -24.4161 -24.4161 -24.4144 -24.4144 -15.9971 -15.9971 -8.2712 -8.2712 -8.2580 -8.2580 10.5297 10.5297 14.8107 14.8107 15.2618 15.2618 15.3066 15.3066 15.4576 15.4576 16.3090 16.3090 16.3099 16.3099 16.8437 16.8437 16.9071 16.9071 17.4573 17.4573 18.3678 18.3678 18.5908 18.5908 18.7688 18.7688 18.9730 18.9730 19.0331 19.0331 19.4481 19.4481 20.7782 20.7782 22.0887 22.0887 22.2022 22.2022 22.8049 22.8049 23.0292 23.0292 23.1987 23.1987 25.1575 25.1575 25.4719 25.4719 k = 0.2132 0.2132 0.2132 ( 3052 PWs) bands (ev): -57.8846 -57.8846 -57.8492 -57.8492 -57.8492 -57.8492 -41.7013 -41.7013 -28.5478 -28.5478 -28.5354 -28.5354 -28.4390 -28.4390 -24.8644 -24.8644 -24.7232 -24.7232 -24.6919 -24.6919 -24.4955 -24.4955 -24.4151 -24.4151 -24.4134 -24.4134 -15.9974 -15.9974 -8.2724 -8.2724 -8.2589 -8.2589 10.5992 10.5992 14.8721 14.8721 15.1980 15.1980 15.2494 15.2494 15.4541 15.4541 16.3493 16.3493 16.3536 16.3536 16.8719 16.8719 16.9431 16.9431 17.4285 17.4285 18.3475 18.3475 18.5485 18.5485 18.7704 18.7704 18.9543 18.9543 19.0079 19.0079 19.3758 19.3758 20.7738 20.7738 22.0952 22.0952 22.2104 22.2104 22.7553 22.7553 22.9765 22.9765 23.1328 23.1328 25.2082 25.2082 25.5202 25.5202 k = 0.2206 0.2206 0.2206 ( 3046 PWs) bands (ev): -57.8837 -57.8837 -57.8496 -57.8496 -57.8496 -57.8496 -41.7013 -41.7013 -28.5471 -28.5471 -28.5338 -28.5338 -28.4414 -28.4414 -24.8623 -24.8623 -24.7239 -24.7239 -24.6915 -24.6915 -24.4994 -24.4994 -24.4140 -24.4140 -24.4123 -24.4123 -15.9977 -15.9977 -8.2736 -8.2736 -8.2598 -8.2598 10.6703 10.6703 14.9312 14.9312 15.1286 15.1286 15.1851 15.1851 15.4505 15.4505 16.3868 16.3868 16.3954 16.3954 16.9140 16.9140 16.9910 16.9910 17.4006 17.4006 18.3222 18.3222 18.5002 18.5002 18.7754 18.7754 18.9391 18.9391 18.9864 18.9864 19.3042 19.3042 20.7694 20.7694 22.0993 22.0993 22.2162 22.2162 22.7096 22.7096 22.9271 22.9271 23.0708 23.0708 25.2575 25.2575 25.5658 25.5658 k = 0.2279 0.2279 0.2279 ( 3058 PWs) bands (ev): -57.8828 -57.8828 -57.8501 -57.8501 -57.8501 -57.8501 -41.7013 -41.7013 -28.5463 -28.5463 -28.5323 -28.5323 -28.4439 -28.4439 -24.8603 -24.8603 -24.7245 -24.7245 -24.6912 -24.6912 -24.5034 -24.5034 -24.4130 -24.4130 -24.4112 -24.4112 -15.9979 -15.9979 -8.2747 -8.2747 -8.2607 -8.2607 10.7428 10.7428 14.9864 14.9864 15.0548 15.0548 15.1158 15.1158 15.4471 15.4471 16.4226 16.4226 16.4360 16.4360 16.9676 16.9676 17.0490 17.0490 17.3734 17.3734 18.2923 18.2923 18.4488 18.4488 18.7803 18.7803 18.9270 18.9270 18.9693 18.9693 19.2333 19.2333 20.7649 20.7649 22.1010 22.1010 22.2198 22.2198 22.6678 22.6678 22.8812 22.8812 23.0128 23.0128 25.3047 25.3047 25.6080 25.6080 k = 0.2353 0.2353 0.2353 ( 3058 PWs) bands (ev): -57.8819 -57.8819 -57.8505 -57.8505 -57.8505 -57.8505 -41.7012 -41.7012 -28.5456 -28.5456 -28.5308 -28.5308 -28.4464 -28.4464 -24.8585 -24.8585 -24.7249 -24.7249 -24.6909 -24.6909 -24.5074 -24.5074 -24.4118 -24.4118 -24.4100 -24.4100 -15.9982 -15.9982 -8.2757 -8.2757 -8.2616 -8.2616 10.8165 10.8165 14.9776 14.9776 15.0239 15.0239 15.0553 15.0553 15.4445 15.4445 16.4575 16.4575 16.4760 16.4760 17.0305 17.0305 17.1154 17.1154 17.3470 17.3470 18.2583 18.2583 18.3960 18.3960 18.7835 18.7835 18.9175 18.9175 18.9570 18.9570 19.1640 19.1640 20.7604 20.7604 22.1008 22.1008 22.2217 22.2217 22.6302 22.6302 22.8392 22.8392 22.9587 22.9587 25.3494 25.3494 25.6461 25.6461 k = 0.2426 0.2426 0.2426 ( 3058 PWs) bands (ev): -57.8811 -57.8811 -57.8510 -57.8510 -57.8510 -57.8510 -41.7012 -41.7012 -28.5449 -28.5449 -28.5292 -28.5292 -28.4489 -28.4489 -24.8569 -24.8569 -24.7252 -24.7252 -24.6907 -24.6907 -24.5114 -24.5114 -24.4106 -24.4106 -24.4088 -24.4088 -15.9984 -15.9984 -8.2766 -8.2766 -8.2624 -8.2624 10.8914 10.8914 14.8979 14.8979 14.9592 14.9592 15.0877 15.0877 15.4438 15.4438 16.4922 16.4922 16.5158 16.5158 17.1006 17.1006 17.1886 17.1886 17.3217 17.3217 18.2208 18.2208 18.3426 18.3426 18.7845 18.7845 18.9099 18.9099 18.9497 18.9497 19.0966 19.0966 20.7560 20.7560 22.0987 22.0987 22.2219 22.2219 22.5967 22.5967 22.8010 22.8010 22.9087 22.9087 25.3909 25.3909 25.6791 25.6791 k = 0.2500 0.2500 0.2500 ( 3058 PWs) bands (ev): -57.8802 -57.8802 -57.8514 -57.8514 -57.8514 -57.8514 -41.7012 -41.7012 -28.5442 -28.5442 -28.5277 -28.5277 -28.4514 -28.4514 -24.8555 -24.8555 -24.7254 -24.7254 -24.6905 -24.6905 -24.5154 -24.5154 -24.4093 -24.4093 -24.4075 -24.4075 -15.9985 -15.9985 -8.2774 -8.2774 -8.2632 -8.2632 10.9675 10.9675 14.8167 14.8167 14.8799 14.8799 15.1245 15.1245 15.4462 15.4462 16.5270 16.5270 16.5555 16.5555 17.1757 17.1757 17.2673 17.2673 17.2981 17.2981 18.1808 18.1808 18.2893 18.2893 18.7833 18.7833 18.9038 18.9038 18.9461 18.9461 19.0325 19.0325 20.7515 20.7515 22.0949 22.0949 22.2207 22.2207 22.5674 22.5674 22.7666 22.7666 22.8627 22.8627 25.4285 25.4285 25.7065 25.7065 k = 0.2574 0.2574 0.2574 ( 3040 PWs) bands (ev): -57.8793 -57.8793 -57.8518 -57.8518 -57.8518 -57.8518 -41.7012 -41.7012 -28.5436 -28.5436 -28.5261 -28.5261 -28.4539 -28.4539 -24.8543 -24.8543 -24.7254 -24.7254 -24.6903 -24.6903 -24.5193 -24.5193 -24.4079 -24.4079 -24.4062 -24.4062 -15.9986 -15.9986 -8.2781 -8.2781 -8.2639 -8.2639 11.0445 11.0445 14.7347 14.7347 14.7986 14.7986 15.1522 15.1522 15.4530 15.4530 16.5622 16.5622 16.5952 16.5952 17.2458 17.2458 17.2853 17.2853 17.3505 17.3505 18.1391 18.1391 18.2363 18.2363 18.7794 18.7794 18.8987 18.8987 18.9421 18.9421 18.9774 18.9774 20.7473 20.7473 22.0897 22.0897 22.2185 22.2185 22.5421 22.5421 22.7361 22.7361 22.8207 22.8207 25.4619 25.4619 25.7275 25.7275 k = 0.2647 0.2647 0.2647 ( 3040 PWs) bands (ev): -57.8784 -57.8784 -57.8523 -57.8523 -57.8523 -57.8523 -41.7011 -41.7011 -28.5429 -28.5429 -28.5246 -28.5246 -28.4563 -28.4563 -24.8534 -24.8534 -24.7252 -24.7252 -24.6901 -24.6901 -24.5233 -24.5233 -24.4066 -24.4066 -24.4048 -24.4048 -15.9987 -15.9987 -8.2787 -8.2787 -8.2646 -8.2646 11.1224 11.1224 14.6522 14.6522 14.7165 14.7165 15.1693 15.1693 15.4647 15.4647 16.5976 16.5976 16.6350 16.6350 17.2445 17.2445 17.3483 17.3483 17.4371 17.4371 18.0964 18.0964 18.1841 18.1841 18.7692 18.7692 18.8941 18.8941 18.9126 18.9126 18.9597 18.9597 20.7428 20.7428 22.0832 22.0832 22.2152 22.2152 22.5206 22.5206 22.7092 22.7092 22.7826 22.7826 25.4904 25.4904 25.7417 25.7417 k = 0.2721 0.2721 0.2721 ( 3046 PWs) bands (ev): -57.8775 -57.8775 -57.8527 -57.8527 -57.8527 -57.8527 -41.7011 -41.7011 -28.5424 -28.5424 -28.5231 -28.5231 -28.4588 -28.4588 -24.8526 -24.8526 -24.7249 -24.7249 -24.6900 -24.6900 -24.5271 -24.5271 -24.4052 -24.4052 -24.4034 -24.4034 -15.9988 -15.9988 -8.2792 -8.2792 -8.2653 -8.2653 11.2011 11.2011 14.5699 14.5699 14.6341 14.6341 15.1758 15.1758 15.4808 15.4808 16.6330 16.6330 16.6747 16.6747 17.2243 17.2243 17.4343 17.4343 17.5262 17.5262 18.0536 18.0536 18.1331 18.1331 18.7456 18.7456 18.8804 18.8804 18.8896 18.8896 18.9643 18.9643 20.7384 20.7384 22.0756 22.0756 22.2112 22.2112 22.5027 22.5027 22.6859 22.6859 22.7483 22.7483 25.5136 25.5136 25.7485 25.7485 k = 0.2794 0.2794 0.2794 ( 3034 PWs) bands (ev): -57.8766 -57.8766 -57.8531 -57.8531 -57.8531 -57.8531 -41.7011 -41.7011 -28.5418 -28.5418 -28.5216 -28.5216 -28.4612 -28.4612 -24.8521 -24.8521 -24.7244 -24.7244 -24.6899 -24.6899 -24.5310 -24.5310 -24.4037 -24.4037 -24.4020 -24.4020 -15.9988 -15.9988 -8.2796 -8.2796 -8.2660 -8.2660 11.2806 11.2806 14.4882 14.4882 14.5521 14.5521 15.1732 15.1732 15.4992 15.4992 16.6685 16.6685 16.7143 16.7143 17.2041 17.2041 17.5237 17.5237 17.6160 17.6160 18.0125 18.0125 18.0838 18.0838 18.7050 18.7050 18.8672 18.8672 18.8852 18.8852 18.9743 18.9743 20.7341 20.7341 22.0672 22.0672 22.2065 22.2065 22.4882 22.4882 22.6658 22.6658 22.7177 22.7177 25.5312 25.5312 25.7480 25.7480 k = 0.2868 0.2868 0.2868 ( 3046 PWs) bands (ev): -57.8758 -57.8758 -57.8536 -57.8536 -57.8536 -57.8536 -41.7010 -41.7010 -28.5413 -28.5413 -28.5201 -28.5201 -28.4636 -28.4636 -24.8519 -24.8519 -24.7238 -24.7238 -24.6899 -24.6899 -24.5348 -24.5348 -24.4022 -24.4022 -24.4005 -24.4005 -15.9988 -15.9988 -8.2800 -8.2800 -8.2666 -8.2666 11.3605 11.3605 14.4074 14.4074 14.4709 14.4709 15.1634 15.1634 15.5178 15.5178 16.7035 16.7035 16.7533 16.7533 17.1846 17.1846 17.6144 17.6144 17.7028 17.7028 17.9767 17.9767 18.0370 18.0370 18.6538 18.6538 18.8668 18.8668 18.8807 18.8807 18.9893 18.9893 20.7298 20.7298 22.0579 22.0579 22.2012 22.2012 22.4768 22.4768 22.6488 22.6488 22.6907 22.6907 25.5427 25.5427 25.7400 25.7400 k = 0.2941 0.2941 0.2941 ( 3049 PWs) bands (ev): -57.8749 -57.8749 -57.8540 -57.8540 -57.8540 -57.8540 -41.7010 -41.7010 -28.5408 -28.5408 -28.5187 -28.5187 -28.4659 -28.4659 -24.8519 -24.8519 -24.7230 -24.7230 -24.6899 -24.6899 -24.5385 -24.5385 -24.4007 -24.4007 -24.3990 -24.3990 -15.9987 -15.9987 -8.2803 -8.2803 -8.2672 -8.2672 11.4409 11.4409 14.3278 14.3278 14.3907 14.3907 15.1483 15.1483 15.5346 15.5346 16.7378 16.7378 16.7917 16.7917 17.1662 17.1662 17.7043 17.7043 17.7745 17.7745 17.9585 17.9585 17.9945 17.9945 18.5989 18.5989 18.8716 18.8716 18.8760 18.8760 19.0110 19.0110 20.7255 20.7255 22.0479 22.0479 22.1955 22.1955 22.4682 22.4682 22.6346 22.6346 22.6672 22.6672 25.5481 25.5481 25.7248 25.7248 k = 0.3015 0.3015 0.3015 ( 3055 PWs) bands (ev): -57.8741 -57.8741 -57.8544 -57.8544 -57.8544 -57.8544 -41.7009 -41.7009 -28.5404 -28.5404 -28.5173 -28.5173 -28.4682 -28.4682 -24.8521 -24.8521 -24.7220 -24.7220 -24.6899 -24.6899 -24.5422 -24.5422 -24.3992 -24.3992 -24.3975 -24.3975 -15.9987 -15.9987 -8.2805 -8.2805 -8.2677 -8.2677 11.5217 11.5217 14.2497 14.2497 14.3120 14.3120 15.1289 15.1289 15.5483 15.5483 16.7711 16.7711 16.8291 16.8291 17.1490 17.1490 17.7866 17.7866 17.8005 17.8005 17.9629 17.9629 17.9884 17.9884 18.5434 18.5434 18.8714 18.8714 18.8772 18.8772 19.0410 19.0410 20.7213 20.7213 22.0372 22.0372 22.1892 22.1892 22.4623 22.4623 22.6230 22.6230 22.6469 22.6469 25.5472 25.5472 25.7029 25.7029 k = 0.3088 0.3088 0.3088 ( 3055 PWs) bands (ev): -57.8733 -57.8733 -57.8548 -57.8548 -57.8548 -57.8548 -41.7009 -41.7009 -28.5400 -28.5400 -28.5159 -28.5159 -28.4704 -28.4704 -24.8524 -24.8524 -24.7209 -24.7209 -24.6899 -24.6899 -24.5458 -24.5458 -24.3976 -24.3976 -24.3960 -24.3960 -15.9986 -15.9986 -8.2805 -8.2805 -8.2682 -8.2682 11.6026 11.6026 14.1733 14.1733 14.2348 14.2348 15.1065 15.1065 15.5579 15.5579 16.8031 16.8031 16.8651 16.8651 17.1330 17.1330 17.7824 17.7824 17.8334 17.8334 17.9699 17.9699 18.0651 18.0651 18.4891 18.4891 18.8669 18.8669 18.8817 18.8817 19.0803 19.0803 20.7172 20.7172 22.0258 22.0258 22.1822 22.1822 22.4588 22.4588 22.6137 22.6137 22.6298 22.6298 25.5401 25.5401 25.6749 25.6749 k = 0.3162 0.3162 0.3162 ( 3049 PWs) bands (ev): -57.8724 -57.8724 -57.8552 -57.8552 -57.8552 -57.8552 -41.7009 -41.7009 -28.5396 -28.5396 -28.5145 -28.5145 -28.4725 -28.4725 -24.8530 -24.8530 -24.7197 -24.7197 -24.6900 -24.6900 -24.5493 -24.5493 -24.3960 -24.3960 -24.3944 -24.3944 -15.9984 -15.9984 -8.2805 -8.2805 -8.2687 -8.2687 11.6837 11.6837 14.0987 14.0987 14.1595 14.1595 15.0817 15.0817 15.5631 15.5631 16.8333 16.8333 16.8996 16.8996 17.1179 17.1179 17.7498 17.7498 17.8235 17.8235 18.0356 18.0356 18.1589 18.1589 18.4376 18.4376 18.8629 18.8629 18.8844 18.8844 19.1288 19.1288 20.7132 20.7132 22.0134 22.0134 22.1745 22.1745 22.4575 22.4575 22.6066 22.6066 22.6156 22.6156 25.5269 25.5269 25.6416 25.6416 k = 0.3235 0.3235 0.3235 ( 3055 PWs) bands (ev): -57.8716 -57.8716 -57.8557 -57.8557 -57.8557 -57.8557 -41.7008 -41.7008 -28.5394 -28.5394 -28.5132 -28.5132 -28.4746 -28.4746 -24.8537 -24.8537 -24.7185 -24.7185 -24.6901 -24.6901 -24.5527 -24.5527 -24.3944 -24.3944 -24.3929 -24.3929 -15.9983 -15.9983 -8.2804 -8.2804 -8.2691 -8.2691 11.7647 11.7647 14.0262 14.0262 14.0862 14.0862 15.0549 15.0549 15.5637 15.5637 16.8612 16.8612 16.9319 16.9319 17.1038 17.1038 17.7141 17.7141 17.7947 17.7947 18.1194 18.1194 18.2580 18.2580 18.3918 18.3918 18.8599 18.8599 18.8858 18.8858 19.1861 19.1861 20.7092 20.7092 22.0000 22.0000 22.1659 22.1659 22.4581 22.4581 22.6014 22.6014 22.6041 22.6041 25.5080 25.5080 25.6036 25.6036 k = 0.3309 0.3309 0.3309 ( 3058 PWs) bands (ev): -57.8709 -57.8709 -57.8561 -57.8561 -57.8561 -57.8561 -41.7008 -41.7008 -28.5391 -28.5391 -28.5119 -28.5119 -28.4766 -28.4766 -24.8546 -24.8546 -24.7171 -24.7171 -24.6902 -24.6902 -24.5560 -24.5560 -24.3928 -24.3928 -24.3913 -24.3913 -15.9981 -15.9981 -8.2803 -8.2803 -8.2695 -8.2695 11.8455 11.8455 13.9558 13.9558 14.0151 14.0151 15.0264 15.0264 15.5598 15.5598 16.8866 16.8866 16.9616 16.9616 17.0903 17.0903 17.6789 17.6789 17.7639 17.7639 18.1935 18.1935 18.3586 18.3586 18.3630 18.3630 18.8588 18.8588 18.8864 18.8864 19.2515 19.2515 20.7054 20.7054 21.9854 21.9854 22.1560 22.1560 22.4604 22.4604 22.5950 22.5950 22.5977 22.5977 25.4838 25.4838 25.5619 25.5619 k = 0.3382 0.3382 0.3382 ( 3058 PWs) bands (ev): -57.8701 -57.8701 -57.8564 -57.8564 -57.8564 -57.8564 -41.7007 -41.7007 -28.5390 -28.5390 -28.5106 -28.5106 -28.4784 -28.4784 -24.8556 -24.8556 -24.7157 -24.7157 -24.6903 -24.6903 -24.5593 -24.5593 -24.3912 -24.3912 -24.3898 -24.3898 -15.9979 -15.9979 -8.2801 -8.2801 -8.2698 -8.2698 11.9260 11.9260 13.8877 13.8877 13.9463 13.9463 14.9966 14.9966 15.5518 15.5518 16.9090 16.9090 16.9882 16.9882 17.0774 17.0774 17.6456 17.6456 17.7348 17.7348 18.2184 18.2184 18.3869 18.3869 18.4579 18.4579 18.8614 18.8614 18.8871 18.8871 19.3243 19.3243 20.7016 20.7016 21.9694 21.9694 22.1449 22.1449 22.4642 22.4642 22.5881 22.5881 22.5954 22.5954 25.4550 25.4550 25.5174 25.5174 k = 0.3456 0.3456 0.3456 ( 3049 PWs) bands (ev): -57.8694 -57.8694 -57.8568 -57.8568 -57.8568 -57.8568 -41.7007 -41.7007 -28.5388 -28.5388 -28.5094 -28.5094 -28.4802 -28.4802 -24.8567 -24.8567 -24.7142 -24.7142 -24.6905 -24.6905 -24.5624 -24.5624 -24.3896 -24.3896 -24.3883 -24.3883 -15.9977 -15.9977 -8.2798 -8.2798 -8.2701 -8.2701 12.0060 12.0060 13.8222 13.8222 13.8800 13.8800 14.9658 14.9658 15.5402 15.5402 16.9280 16.9280 17.0112 17.0112 17.0646 17.0646 17.6153 17.6153 17.7087 17.7087 18.1938 18.1938 18.4615 18.4615 18.5517 18.5517 18.8711 18.8711 18.8895 18.8895 19.4037 19.4037 20.6980 20.6980 21.9517 21.9517 22.1321 22.1321 22.4693 22.4693 22.5832 22.5832 22.5943 22.5943 25.4222 25.4222 25.4708 25.4708 k = 0.3529 0.3529 0.3529 ( 3049 PWs) bands (ev): -57.8686 -57.8686 -57.8572 -57.8572 -57.8572 -57.8572 -41.7007 -41.7007 -28.5388 -28.5388 -28.5083 -28.5083 -28.4819 -28.4819 -24.8579 -24.8579 -24.7127 -24.7127 -24.6906 -24.6906 -24.5654 -24.5654 -24.3880 -24.3880 -24.3868 -24.3868 -15.9974 -15.9974 -8.2794 -8.2794 -8.2704 -8.2704 12.0854 12.0854 13.7590 13.7590 13.8162 13.8162 14.9341 14.9341 15.5254 15.5254 16.9432 16.9432 17.0298 17.0298 17.0519 17.0519 17.5889 17.5889 17.6863 17.6863 18.1556 18.1556 18.5482 18.5482 18.6327 18.6327 18.8953 18.8953 18.8960 18.8960 19.4891 19.4891 20.6943 20.6943 21.9322 21.9322 22.1175 22.1175 22.4754 22.4754 22.5800 22.5800 22.5939 22.5939 25.3862 25.3862 25.4229 25.4229 k = 0.3603 0.3603 0.3603 ( 3049 PWs) bands (ev): -57.8679 -57.8679 -57.8575 -57.8575 -57.8575 -57.8575 -41.7006 -41.7006 -28.5388 -28.5388 -28.5071 -28.5071 -28.4835 -28.4835 -24.8591 -24.8591 -24.7111 -24.7111 -24.6908 -24.6908 -24.5683 -24.5683 -24.3865 -24.3865 -24.3853 -24.3853 -15.9972 -15.9972 -8.2790 -8.2790 -8.2707 -8.2707 12.1639 12.1639 13.6984 13.6984 13.7550 13.7550 14.9016 14.9016 15.5079 15.5079 16.9546 16.9546 17.0392 17.0392 17.0437 17.0437 17.5669 17.5669 17.6679 17.6679 18.1153 18.1153 18.6308 18.6308 18.6905 18.6905 18.9113 18.9113 18.9440 18.9440 19.5796 19.5796 20.6909 20.6909 21.9106 21.9106 22.1008 22.1008 22.4821 22.4821 22.5782 22.5782 22.5941 22.5941 25.3477 25.3477 25.3746 25.3746 k = 0.3676 0.3676 0.3676 ( 3049 PWs) bands (ev): -57.8672 -57.8672 -57.8578 -57.8578 -57.8578 -57.8578 -41.7006 -41.7006 -28.5388 -28.5388 -28.5060 -28.5060 -28.4850 -28.4850 -24.8604 -24.8604 -24.7096 -24.7096 -24.6910 -24.6910 -24.5710 -24.5710 -24.3850 -24.3850 -24.3839 -24.3839 -15.9969 -15.9969 -8.2786 -8.2786 -8.2709 -8.2709 12.2415 12.2415 13.6405 13.6405 13.6965 13.6965 14.8685 14.8685 15.4882 15.4882 16.9618 16.9618 17.0265 17.0265 17.0523 17.0523 17.5499 17.5499 17.6534 17.6534 18.0757 18.0757 18.6980 18.6980 18.7226 18.7226 18.9444 18.9444 19.0196 19.0196 19.6745 19.6745 20.6877 20.6877 21.8866 21.8866 22.0816 22.0816 22.4893 22.4893 22.5776 22.5776 22.5945 22.5945 25.3077 25.3077 25.3263 25.3263 k = 0.3750 0.3750 0.3750 ( 3043 PWs) bands (ev): -57.8666 -57.8666 -57.8581 -57.8581 -57.8581 -57.8581 -41.7005 -41.7005 -28.5389 -28.5389 -28.5050 -28.5050 -28.4864 -28.4864 -24.8617 -24.8617 -24.7081 -24.7081 -24.6912 -24.6912 -24.5737 -24.5737 -24.3835 -24.3835 -24.3824 -24.3824 -15.9967 -15.9967 -8.2781 -8.2781 -8.2711 -8.2711 12.3180 12.3180 13.5854 13.5854 13.6408 13.6408 14.8350 14.8350 15.4670 15.4670 16.9647 16.9647 17.0141 17.0141 17.0556 17.0556 17.5380 17.5380 17.6427 17.6427 18.0377 18.0377 18.7378 18.7378 18.7410 18.7410 19.0030 19.0030 19.1133 19.1133 19.7729 19.7729 20.6846 20.6846 21.8602 21.8602 22.0599 22.0599 22.4966 22.4966 22.5780 22.5780 22.5951 22.5951 25.2667 25.2667 25.2789 25.2789 k = 0.3824 0.3824 0.3824 ( 3043 PWs) bands (ev): -57.8660 -57.8660 -57.8584 -57.8584 -57.8584 -57.8584 -41.7005 -41.7005 -28.5391 -28.5391 -28.5040 -28.5040 -28.4877 -28.4877 -24.8631 -24.8631 -24.7066 -24.7066 -24.6914 -24.6914 -24.5762 -24.5762 -24.3820 -24.3820 -24.3811 -24.3811 -15.9964 -15.9964 -8.2776 -8.2776 -8.2713 -8.2713 12.3930 12.3930 13.5331 13.5331 13.5880 13.5880 14.8012 14.8012 15.4447 15.4447 16.9631 16.9631 17.0022 17.0022 17.0539 17.0539 17.5309 17.5309 17.6354 17.6354 18.0019 18.0019 18.7448 18.7448 18.7625 18.7625 19.0839 19.0839 19.2162 19.2162 19.8741 19.8741 20.6816 20.6816 21.8309 21.8309 22.0352 22.0352 22.5038 22.5038 22.5791 22.5791 22.5956 22.5956 25.2256 25.2256 25.2327 25.2327 k = 0.3897 0.3897 0.3897 ( 3043 PWs) bands (ev): -57.8654 -57.8654 -57.8587 -57.8587 -57.8587 -57.8587 -41.7005 -41.7005 -28.5392 -28.5392 -28.5031 -28.5031 -28.4889 -28.4889 -24.8644 -24.8644 -24.7052 -24.7052 -24.6916 -24.6916 -24.5786 -24.5786 -24.3806 -24.3806 -24.3798 -24.3798 -15.9961 -15.9961 -8.2771 -8.2771 -8.2714 -8.2714 12.4664 12.4664 13.4837 13.4837 13.5381 13.5381 14.7673 14.7673 15.4219 15.4219 16.9569 16.9569 16.9917 16.9917 17.0477 17.0477 17.5281 17.5281 17.6307 17.6307 17.9686 17.9686 18.7480 18.7480 18.7717 18.7717 19.1778 19.1778 19.3237 19.3237 19.9770 19.9770 20.6788 20.6788 21.7988 21.7988 22.0073 22.0073 22.5106 22.5106 22.5806 22.5806 22.5958 22.5958 25.1850 25.1850 25.1884 25.1884 k = 0.3971 0.3971 0.3971 ( 3043 PWs) bands (ev): -57.8648 -57.8648 -57.8590 -57.8590 -57.8590 -57.8590 -41.7004 -41.7004 -28.5395 -28.5395 -28.5022 -28.5022 -28.4899 -28.4899 -24.8657 -24.8657 -24.7038 -24.7038 -24.6918 -24.6918 -24.5808 -24.5808 -24.3793 -24.3793 -24.3785 -24.3785 -15.9958 -15.9958 -8.2766 -8.2766 -8.2716 -8.2716 12.5380 12.5380 13.4373 13.4373 13.4913 13.4913 14.7334 14.7334 15.3989 15.3989 16.9467 16.9467 16.9823 16.9823 17.0379 17.0379 17.5287 17.5287 17.6282 17.6282 17.9381 17.9381 18.7495 18.7495 18.7750 18.7750 19.2783 19.2783 19.4335 19.4335 20.0809 20.0809 20.6762 20.6762 21.7637 21.7637 21.9760 21.9760 22.5167 22.5167 22.5825 22.5825 22.5957 22.5957 25.1455 25.1455 25.1462 25.1462 k = 0.4044 0.4044 0.4044 ( 3055 PWs) bands (ev): -57.8643 -57.8643 -57.8593 -57.8593 -57.8593 -57.8593 -41.7004 -41.7004 -28.5397 -28.5397 -28.5014 -28.5014 -28.4909 -28.4909 -24.8670 -24.8670 -24.7024 -24.7024 -24.6920 -24.6920 -24.5830 -24.5830 -24.3780 -24.3780 -24.3773 -24.3773 -15.9956 -15.9956 -8.2762 -8.2762 -8.2717 -8.2717 12.6074 12.6074 13.3938 13.3938 13.4474 13.4474 14.6997 14.6997 15.3760 15.3760 16.9337 16.9337 16.9735 16.9735 17.0254 17.0254 17.5320 17.5320 17.6269 17.6269 17.9105 17.9105 18.7503 18.7503 18.7753 18.7753 19.3820 19.3820 19.5444 19.5444 20.1846 20.1846 20.6737 20.6737 21.7254 21.7254 21.9410 21.9410 22.5219 22.5219 22.5844 22.5844 22.5951 22.5951 25.1065 25.1065 25.1076 25.1076 k = 0.4118 0.4118 0.4118 ( 3055 PWs) bands (ev): -57.8638 -57.8638 -57.8595 -57.8595 -57.8595 -57.8595 -41.7004 -41.7004 -28.5400 -28.5400 -28.5007 -28.5007 -28.4918 -28.4918 -24.8682 -24.8682 -24.7012 -24.7012 -24.6922 -24.6922 -24.5849 -24.5849 -24.3768 -24.3768 -24.3762 -24.3762 -15.9953 -15.9953 -8.2757 -8.2757 -8.2718 -8.2718 12.6744 12.6744 13.3533 13.3533 13.4067 13.4067 14.6664 14.6664 15.3537 15.3537 16.9195 16.9195 16.9648 16.9648 17.0112 17.0112 17.5371 17.5371 17.6262 17.6262 17.8862 17.8862 18.7509 18.7509 18.7743 18.7743 19.4873 19.4873 19.6557 19.6557 20.2870 20.2870 20.6715 20.6715 21.6841 21.6841 21.9022 21.9022 22.5262 22.5262 22.5862 22.5862 22.5942 22.5942 25.0696 25.0696 25.0718 25.0718 k = 0.4191 0.4191 0.4191 ( 3061 PWs) bands (ev): -57.8634 -57.8634 -57.8598 -57.8598 -57.8598 -57.8598 -41.7003 -41.7003 -28.5403 -28.5403 -28.5000 -28.5000 -28.4926 -28.4926 -24.8694 -24.8694 -24.7000 -24.7000 -24.6923 -24.6923 -24.5867 -24.5867 -24.3757 -24.3757 -24.3752 -24.3752 -15.9951 -15.9951 -8.2752 -8.2752 -8.2719 -8.2719 12.7386 12.7386 13.3160 13.3160 13.3692 13.3692 14.6336 14.6336 15.3323 15.3323 16.9047 16.9047 16.9560 16.9560 16.9961 16.9961 17.5432 17.5432 17.6253 17.6253 17.8654 17.8654 18.7515 18.7515 18.7727 18.7727 19.5934 19.5934 19.7667 19.7667 20.3869 20.3869 20.6696 20.6696 21.6398 21.6398 21.8594 21.8594 22.5294 22.5294 22.5876 22.5876 22.5929 22.5929 25.0357 25.0357 25.0384 25.0384 k = 0.4265 0.4265 0.4265 ( 3067 PWs) bands (ev): -57.8630 -57.8630 -57.8600 -57.8600 -57.8600 -57.8600 -41.7003 -41.7003 -28.5406 -28.5406 -28.4993 -28.4993 -28.4933 -28.4933 -24.8705 -24.8705 -24.6989 -24.6989 -24.6925 -24.6925 -24.5884 -24.5884 -24.3746 -24.3746 -24.3742 -24.3742 -15.9949 -15.9949 -8.2747 -8.2747 -8.2719 -8.2719 12.7997 12.7997 13.2817 13.2817 13.3350 13.3350 14.6016 14.6016 15.3120 15.3120 16.8900 16.8900 16.9470 16.9470 16.9807 16.9807 17.5499 17.5499 17.6238 17.6238 17.8479 17.8479 18.7523 18.7523 18.7709 18.7709 19.6994 19.6994 19.8770 19.8770 20.4828 20.4828 20.6682 20.6682 21.5929 21.5929 21.8125 21.8125 22.5316 22.5316 22.5885 22.5885 22.5913 22.5913 25.0049 25.0049 25.0077 25.0077 k = 0.4338 0.4338 0.4338 ( 3067 PWs) bands (ev): -57.8627 -57.8627 -57.8602 -57.8602 -57.8602 -57.8602 -41.7003 -41.7003 -28.5409 -28.5409 -28.4987 -28.4987 -28.4939 -28.4939 -24.8716 -24.8716 -24.6979 -24.6979 -24.6927 -24.6927 -24.5899 -24.5899 -24.3736 -24.3736 -24.3733 -24.3733 -15.9946 -15.9946 -8.2743 -8.2743 -8.2720 -8.2720 12.8572 12.8572 13.2507 13.2507 13.3040 13.3040 14.5708 14.5708 15.2930 15.2930 16.8757 16.8757 16.9382 16.9382 16.9657 16.9657 17.5566 17.5566 17.6214 17.6214 17.8341 17.8341 18.7533 18.7533 18.7691 18.7691 19.8050 19.8050 19.9861 19.9861 20.5724 20.5724 20.6678 20.6678 21.5439 21.5439 21.7617 21.7617 22.5327 22.5327 22.5887 22.5887 22.5894 22.5894 24.9772 24.9772 24.9799 24.9799 k = 0.4412 0.4412 0.4412 ( 3064 PWs) bands (ev): -57.8623 -57.8623 -57.8603 -57.8603 -57.8603 -57.8603 -41.7002 -41.7002 -28.5412 -28.5412 -28.4982 -28.4982 -28.4944 -28.4944 -24.8725 -24.8725 -24.6970 -24.6970 -24.6928 -24.6928 -24.5913 -24.5913 -24.3728 -24.3728 -24.3725 -24.3725 -15.9944 -15.9944 -8.2738 -8.2738 -8.2720 -8.2720 12.9107 12.9107 13.2228 13.2228 13.2765 13.2765 14.5414 14.5414 15.2756 15.2756 16.8623 16.8623 16.9296 16.9296 16.9514 16.9514 17.5630 17.5630 17.6179 17.6179 17.8235 17.8235 18.7545 18.7545 18.7675 18.7675 19.9098 19.9098 20.0934 20.0934 20.6448 20.6448 20.6773 20.6773 21.4938 21.4938 21.7071 21.7071 22.5329 22.5329 22.5875 22.5875 22.5881 22.5881 24.9527 24.9527 24.9551 24.9551 k = 0.4485 0.4485 0.4485 ( 3064 PWs) bands (ev): -57.8620 -57.8620 -57.8605 -57.8605 -57.8605 -57.8605 -41.7002 -41.7002 -28.5415 -28.5415 -28.4977 -28.4977 -28.4948 -28.4948 -24.8734 -24.8734 -24.6962 -24.6962 -24.6930 -24.6930 -24.5925 -24.5925 -24.3720 -24.3720 -24.3717 -24.3717 -15.9943 -15.9943 -8.2735 -8.2735 -8.2720 -8.2720 12.9596 12.9596 13.1981 13.1981 13.2524 13.2524 14.5138 14.5138 15.2598 15.2598 16.8499 16.8499 16.9215 16.9215 16.9381 16.9381 17.5689 17.5689 17.6136 17.6136 17.8158 17.8158 18.7558 18.7558 18.7660 18.7660 20.0131 20.0131 20.1982 20.1982 20.6588 20.6588 20.7353 20.7353 21.4441 21.4441 21.6492 21.6492 22.5320 22.5320 22.5855 22.5855 22.5869 22.5869 24.9314 24.9314 24.9334 24.9334 k = 0.4559 0.4559 0.4559 ( 3064 PWs) bands (ev): -57.8617 -57.8617 -57.8606 -57.8606 -57.8606 -57.8606 -41.7002 -41.7002 -28.5417 -28.5417 -28.4973 -28.4973 -28.4952 -28.4952 -24.8741 -24.8741 -24.6954 -24.6954 -24.6931 -24.6931 -24.5935 -24.5935 -24.3713 -24.3713 -24.3711 -24.3711 -15.9941 -15.9941 -8.2731 -8.2731 -8.2721 -8.2721 13.0031 13.0031 13.1767 13.1767 13.2321 13.2321 14.4884 14.4884 15.2459 15.2459 16.8388 16.8388 16.9140 16.9140 16.9262 16.9262 17.5742 17.5742 17.6087 17.6087 17.8105 17.8105 18.7571 18.7571 18.7649 18.7649 20.1146 20.1146 20.2997 20.2997 20.6594 20.6594 20.7932 20.7932 21.3975 21.3975 21.5887 21.5887 22.5304 22.5304 22.5835 22.5835 22.5852 22.5852 24.9132 24.9132 24.9147 24.9147 k = 0.4632 0.4632 0.4632 ( 3067 PWs) bands (ev): -57.8615 -57.8615 -57.8607 -57.8607 -57.8607 -57.8607 -41.7002 -41.7002 -28.5420 -28.5420 -28.4970 -28.4970 -28.4955 -28.4955 -24.8748 -24.8748 -24.6948 -24.6948 -24.6932 -24.6932 -24.5944 -24.5944 -24.3707 -24.3707 -24.3706 -24.3706 -15.9939 -15.9939 -8.2728 -8.2728 -8.2721 -8.2721 13.0405 13.0405 13.1585 13.1585 13.2156 13.2156 14.4657 14.4657 15.2339 15.2339 16.8291 16.8291 16.9074 16.9074 16.9158 16.9158 17.5788 17.5788 17.6037 17.6037 17.8070 17.8070 18.7584 18.7584 18.7639 18.7639 20.2136 20.2136 20.3965 20.3965 20.6593 20.6593 20.8338 20.8338 21.3574 21.3574 21.5265 21.5265 22.5280 22.5280 22.5817 22.5817 22.5833 22.5833 24.8979 24.8979 24.8990 24.8990 k = 0.4706 0.4706 0.4706 ( 3067 PWs) bands (ev): -57.8613 -57.8613 -57.8608 -57.8608 -57.8608 -57.8608 -41.7002 -41.7002 -28.5422 -28.5422 -28.4967 -28.4967 -28.4958 -28.4958 -24.8753 -24.8753 -24.6943 -24.6943 -24.6933 -24.6933 -24.5951 -24.5951 -24.3702 -24.3702 -24.3701 -24.3701 -15.9938 -15.9938 -8.2726 -8.2726 -8.2721 -8.2721 13.0709 13.0709 13.1437 13.1437 13.2034 13.2034 14.4462 14.4462 15.2240 15.2240 16.8210 16.8210 16.9018 16.9018 16.9072 16.9072 17.5826 17.5826 17.5990 17.5990 17.8048 17.8048 18.7596 18.7596 18.7632 18.7632 20.3092 20.3092 20.4869 20.4869 20.6596 20.6596 20.8514 20.8514 21.3281 21.3281 21.4647 21.4647 22.5251 22.5251 22.5801 22.5801 22.5813 22.5813 24.8856 24.8856 24.8864 24.8864 k = 0.4779 0.4779 0.4779 ( 3067 PWs) bands (ev): -57.8612 -57.8612 -57.8609 -57.8609 -57.8609 -57.8609 -41.7002 -41.7002 -28.5423 -28.5423 -28.4965 -28.4965 -28.4959 -28.4959 -24.8757 -24.8757 -24.6939 -24.6939 -24.6933 -24.6933 -24.5957 -24.5957 -24.3698 -24.3698 -24.3698 -24.3698 -15.9937 -15.9937 -8.2724 -8.2724 -8.2721 -8.2721 13.0934 13.0934 13.1321 13.1321 13.1958 13.1958 14.4304 14.4304 15.2162 15.2162 16.8145 16.8145 16.8973 16.8973 16.9003 16.9003 17.5855 17.5855 17.5950 17.5950 17.8035 17.8035 18.7606 18.7606 18.7627 18.7627 20.3999 20.3999 20.5679 20.5679 20.6608 20.6608 20.8433 20.8433 21.3116 21.3116 21.4059 21.4059 22.5221 22.5221 22.5789 22.5789 22.5796 22.5796 24.8762 24.8762 24.8766 24.8766 k = 0.4853 0.4853 0.4853 ( 3067 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5424 -28.5424 -28.4963 -28.4963 -28.4961 -28.4961 -24.8760 -24.8760 -24.6937 -24.6937 -24.6934 -24.6934 -24.5961 -24.5961 -24.3695 -24.3695 -24.3695 -24.3695 -15.9937 -15.9937 -8.2722 -8.2722 -8.2721 -8.2721 13.1078 13.1078 13.1238 13.1238 13.1925 13.1925 14.4187 14.4187 15.2106 15.2106 16.8099 16.8099 16.8941 16.8941 16.8954 16.8954 17.5876 17.5876 17.5919 17.5919 17.8029 17.8029 18.7614 18.7614 18.7623 18.7623 20.4823 20.4823 20.6347 20.6347 20.6645 20.6645 20.8122 20.8122 21.3057 21.3057 21.3550 21.3550 22.5195 22.5195 22.5779 22.5779 22.5782 22.5782 24.8695 24.8695 24.8697 24.8697 k = 0.4926 0.4926 0.4926 ( 3067 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7001 -41.7001 -28.5425 -28.5425 -28.4962 -28.4962 -28.4961 -28.4961 -24.8762 -24.8762 -24.6935 -24.6935 -24.6934 -24.6934 -24.5963 -24.5963 -24.3693 -24.3693 -24.3693 -24.3693 -15.9936 -15.9936 -8.2721 -8.2721 -8.2721 -8.2721 13.1150 13.1150 13.1188 13.1188 13.1921 13.1921 14.4115 14.4115 15.2072 15.2072 16.8071 16.8071 16.8921 16.8921 16.8924 16.8924 17.5889 17.5889 17.5900 17.5900 17.8025 17.8025 18.7619 18.7619 18.7621 18.7621 20.5472 20.5472 20.6761 20.6761 20.6803 20.6803 20.7661 20.7661 21.3053 21.3053 21.3190 21.3190 22.5177 22.5177 22.5773 22.5773 22.5774 22.5774 24.8655 24.8655 24.8655 24.8655 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -41.7001 -41.7001 -28.5426 -28.5426 -28.4962 -28.4962 -28.4962 -28.4962 -24.8763 -24.8763 -24.6935 -24.6935 -24.6935 -24.6935 -24.5964 -24.5964 -24.3693 -24.3693 -24.3693 -24.3693 -15.9937 -15.9937 -8.2722 -8.2722 -8.2722 -8.2722 13.1171 13.1171 13.1171 13.1171 13.1922 13.1922 14.4090 14.4090 15.2059 15.2059 16.8059 16.8059 16.8912 16.8912 16.8912 16.8912 17.5892 17.5892 17.5892 17.5892 17.8023 17.8023 18.7618 18.7618 18.7618 18.7618 20.5730 20.5730 20.6963 20.6963 20.6963 20.6963 20.7289 20.7289 21.3056 21.3056 21.3056 21.3056 22.5169 22.5169 22.5770 22.5770 22.5770 22.5770 24.8641 24.8641 24.8641 24.8641 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -41.7001 -41.7001 -28.5426 -28.5426 -28.4962 -28.4962 -28.4962 -28.4962 -24.8763 -24.8763 -24.6935 -24.6935 -24.6935 -24.6935 -24.5964 -24.5964 -24.3693 -24.3693 -24.3693 -24.3693 -15.9937 -15.9937 -8.2722 -8.2722 -8.2722 -8.2722 13.1171 13.1171 13.1171 13.1171 13.1922 13.1922 14.4090 14.4090 15.2059 15.2059 16.8059 16.8059 16.8912 16.8912 16.8912 16.8912 17.5892 17.5892 17.5892 17.5892 17.8023 17.8023 18.7618 18.7618 18.7618 18.7618 20.5730 20.5730 20.6963 20.6963 20.6963 20.6963 20.7289 20.7289 21.3056 21.3056 21.3056 21.3056 22.5169 22.5169 22.5770 22.5770 22.5770 22.5770 24.8641 24.8641 24.8641 24.8641 k = 0.4911 0.5000 0.4911 ( 3076 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7001 -41.7001 -28.5425 -28.5425 -28.4962 -28.4962 -28.4962 -28.4962 -24.8762 -24.8762 -24.6935 -24.6935 -24.6934 -24.6934 -24.5963 -24.5963 -24.3694 -24.3694 -24.3693 -24.3693 -15.9936 -15.9936 -8.2722 -8.2722 -8.2721 -8.2721 13.1152 13.1152 13.1186 13.1186 13.1921 13.1921 14.4114 14.4114 15.2072 15.2072 16.8070 16.8070 16.8919 16.8919 16.8925 16.8925 17.5889 17.5889 17.5899 17.5899 17.8025 17.8025 18.7615 18.7615 18.7624 18.7624 20.5476 20.5476 20.6759 20.6759 20.6805 20.6805 20.7658 20.7658 21.3052 21.3052 21.3188 21.3188 22.5176 22.5176 22.5772 22.5772 22.5774 22.5774 24.8637 24.8637 24.8673 24.8673 k = 0.4821 0.5000 0.4821 ( 3076 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8609 -57.8609 -41.7002 -41.7002 -28.5424 -28.5424 -28.4963 -28.4963 -28.4961 -28.4961 -24.8760 -24.8760 -24.6937 -24.6937 -24.6934 -24.6934 -24.5961 -24.5961 -24.3696 -24.3696 -24.3694 -24.3694 -15.9937 -15.9937 -8.2723 -8.2723 -8.2721 -8.2721 13.1087 13.1087 13.1230 13.1230 13.1923 13.1923 14.4185 14.4185 15.2105 15.2105 16.8098 16.8098 16.8934 16.8934 16.8959 16.8959 17.5877 17.5877 17.5918 17.5918 17.8028 17.8028 18.7601 18.7601 18.7635 18.7635 20.4840 20.4840 20.6359 20.6359 20.6632 20.6632 20.8121 20.8121 21.3054 21.3054 21.3544 21.3544 22.5194 22.5194 22.5776 22.5776 22.5784 22.5784 24.8622 24.8622 24.8767 24.8767 k = 0.4732 0.5000 0.4732 ( 3068 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8609 -57.8609 -41.7002 -41.7002 -28.5423 -28.5423 -28.4964 -28.4964 -28.4960 -28.4960 -24.8757 -24.8757 -24.6939 -24.6939 -24.6933 -24.6933 -24.5957 -24.5957 -24.3699 -24.3699 -24.3696 -24.3696 -15.9937 -15.9937 -8.2724 -8.2724 -8.2721 -8.2721 13.0961 13.0961 13.1302 13.1302 13.1950 13.1950 14.4300 14.4300 15.2160 15.2160 16.8143 16.8143 16.8961 16.8961 16.9015 16.9015 17.5857 17.5857 17.5948 17.5948 17.8035 17.8035 18.7578 18.7578 18.7655 18.7655 20.4032 20.4032 20.5705 20.5705 20.6575 20.6575 20.8446 20.8446 21.3106 21.3106 21.4049 21.4049 22.5222 22.5222 22.5785 22.5785 22.5800 22.5800 24.8597 24.8597 24.8923 24.8923 k = 0.4643 0.5000 0.4643 ( 3068 PWs) bands (ev): -57.8612 -57.8612 -57.8610 -57.8610 -57.8608 -57.8608 -41.7002 -41.7002 -28.5422 -28.5422 -28.4966 -28.4966 -28.4958 -28.4958 -24.8753 -24.8753 -24.6943 -24.6943 -24.6933 -24.6933 -24.5951 -24.5951 -24.3704 -24.3704 -24.3699 -24.3699 -15.9938 -15.9938 -8.2726 -8.2726 -8.2721 -8.2721 13.0762 13.0762 13.1399 13.1399 13.2020 13.2020 14.4456 14.4456 15.2237 15.2237 16.8204 16.8204 16.8997 16.8997 16.9092 16.9092 17.5829 17.5829 17.5988 17.5988 17.8046 17.8046 18.7546 18.7546 18.7682 18.7682 20.3141 20.3141 20.4913 20.4913 20.6535 20.6535 20.8550 20.8550 21.3258 21.3258 21.4634 21.4634 22.5253 22.5253 22.5799 22.5799 22.5818 22.5818 24.8559 24.8559 24.9142 24.9142 k = 0.4554 0.5000 0.4554 ( 3068 PWs) bands (ev): -57.8614 -57.8614 -57.8610 -57.8610 -57.8606 -57.8606 -41.7002 -41.7002 -28.5420 -28.5420 -28.4969 -28.4969 -28.4956 -28.4956 -24.8748 -24.8748 -24.6948 -24.6948 -24.6932 -24.6932 -24.5944 -24.5944 -24.3710 -24.3710 -24.3702 -24.3702 -15.9939 -15.9939 -8.2728 -8.2728 -8.2721 -8.2721 13.0492 13.0492 13.1516 13.1516 13.2137 13.2137 14.4649 14.4649 15.2335 15.2335 16.8280 16.8280 16.9043 16.9043 16.9191 16.9191 17.5793 17.5793 17.6035 17.6035 17.8066 17.8066 18.7506 18.7506 18.7716 18.7716 20.2200 20.2200 20.4030 20.4030 20.6497 20.6497 20.8401 20.8401 21.3535 21.3535 21.5254 21.5254 22.5284 22.5284 22.5822 22.5822 22.5840 22.5840 24.8508 24.8508 24.9423 24.9423 k = 0.4464 0.5000 0.4464 ( 3068 PWs) bands (ev): -57.8615 -57.8615 -57.8610 -57.8610 -57.8605 -57.8605 -41.7002 -41.7002 -28.5417 -28.5417 -28.4972 -28.4972 -28.4954 -28.4954 -24.8741 -24.8741 -24.6955 -24.6955 -24.6930 -24.6930 -24.5935 -24.5935 -24.3717 -24.3717 -24.3706 -24.3706 -15.9941 -15.9941 -8.2731 -8.2731 -8.2721 -8.2721 13.0159 13.0159 13.1653 13.1653 13.2304 13.2304 14.4874 14.4874 15.2454 15.2454 16.8368 16.8368 16.9099 16.9099 16.9310 16.9310 17.5750 17.5750 17.6087 17.6087 17.8096 17.8096 18.7459 18.7459 18.7757 18.7757 20.1225 20.1225 20.3088 20.3088 20.6454 20.6454 20.8021 20.8021 21.3921 21.3921 21.5882 21.5882 22.5307 22.5307 22.5844 22.5844 22.5873 22.5873 24.8442 24.8442 24.9766 24.9766 k = 0.4375 0.5000 0.4375 ( 3068 PWs) bands (ev): -57.8617 -57.8617 -57.8610 -57.8610 -57.8603 -57.8603 -41.7002 -41.7002 -28.5415 -28.5415 -28.4975 -28.4975 -28.4951 -28.4951 -24.8734 -24.8734 -24.6962 -24.6962 -24.6929 -24.6929 -24.5925 -24.5925 -24.3726 -24.3726 -24.3710 -24.3710 -15.9943 -15.9943 -8.2735 -8.2735 -8.2720 -8.2720 12.9772 12.9772 13.1805 13.1805 13.2518 13.2518 14.5127 14.5127 15.2593 15.2593 16.8465 16.8465 16.9165 16.9165 16.9449 16.9449 17.5700 17.5700 17.6139 17.6139 17.8143 17.8143 18.7406 18.7406 18.7805 18.7805 20.0224 20.0224 20.2107 20.2107 20.6399 20.6399 20.7459 20.7459 21.4376 21.4376 21.6501 21.6501 22.5320 22.5320 22.5856 22.5856 22.5928 22.5928 24.8359 24.8359 25.0170 25.0170 k = 0.4286 0.5000 0.4286 ( 3068 PWs) bands (ev): -57.8619 -57.8619 -57.8610 -57.8610 -57.8601 -57.8601 -41.7002 -41.7002 -28.5412 -28.5412 -28.4979 -28.4979 -28.4947 -28.4947 -24.8725 -24.8725 -24.6970 -24.6970 -24.6927 -24.6927 -24.5913 -24.5913 -24.3736 -24.3736 -24.3715 -24.3715 -15.9944 -15.9944 -8.2739 -8.2739 -8.2720 -8.2720 12.9338 12.9338 13.1972 13.1972 13.2778 13.2778 14.5402 14.5402 15.2751 15.2751 16.8568 16.8568 16.9240 16.9240 16.9608 16.9608 17.5643 17.5643 17.6187 17.6187 17.8210 17.8210 18.7348 18.7348 18.7859 18.7859 19.9201 19.9201 20.1099 20.1099 20.6293 20.6293 20.6797 20.6797 21.4865 21.4865 21.7102 21.7102 22.5320 22.5320 22.5860 22.5860 22.6000 22.6000 24.8257 24.8257 25.0635 25.0635 k = 0.4196 0.5000 0.4196 ( 3068 PWs) bands (ev): -57.8622 -57.8622 -57.8610 -57.8610 -57.8598 -57.8598 -41.7003 -41.7003 -28.5409 -28.5409 -28.4983 -28.4983 -28.4943 -28.4943 -24.8716 -24.8716 -24.6980 -24.6980 -24.6926 -24.6926 -24.5900 -24.5900 -24.3747 -24.3747 -24.3721 -24.3721 -15.9946 -15.9946 -8.2743 -8.2743 -8.2719 -8.2719 12.8865 12.8865 13.2153 13.2153 13.3082 13.3082 14.5696 14.5696 15.2927 15.2927 16.8674 16.8674 16.9321 16.9321 16.9786 16.9786 17.5582 17.5582 17.6227 17.6227 17.8303 17.8303 18.7286 18.7286 18.7918 18.7918 19.8161 19.8161 20.0077 20.0077 20.5796 20.5796 20.6412 20.6412 21.5361 21.5361 21.7679 21.7679 22.5307 22.5307 22.5857 22.5857 22.6088 22.6088 24.8134 24.8134 25.1159 25.1159 k = 0.4107 0.5000 0.4107 ( 3064 PWs) bands (ev): -57.8625 -57.8625 -57.8610 -57.8610 -57.8595 -57.8595 -41.7003 -41.7003 -28.5406 -28.5406 -28.4987 -28.4987 -28.4939 -28.4939 -24.8706 -24.8706 -24.6990 -24.6990 -24.6924 -24.6924 -24.5885 -24.5885 -24.3759 -24.3759 -24.3728 -24.3728 -15.9949 -15.9949 -8.2748 -8.2748 -8.2719 -8.2719 12.8357 12.8357 13.2350 13.2350 13.3427 13.3427 14.6005 14.6005 15.3121 15.3121 16.8779 16.8779 16.9407 16.9407 16.9983 16.9983 17.5516 17.5516 17.6257 17.6257 17.8427 17.8427 18.7223 18.7223 18.7981 18.7981 19.7108 19.7108 19.9047 19.9047 20.4925 20.4925 20.6311 20.6311 21.5850 21.5850 21.8230 21.8230 22.5284 22.5284 22.5846 22.5846 22.6188 22.6188 24.7990 24.7990 25.1741 25.1741 k = 0.4018 0.5000 0.4018 ( 3064 PWs) bands (ev): -57.8628 -57.8628 -57.8610 -57.8610 -57.8592 -57.8592 -41.7003 -41.7003 -28.5402 -28.5402 -28.4992 -28.4992 -28.4934 -28.4934 -24.8694 -24.8694 -24.7001 -24.7001 -24.6922 -24.6922 -24.5869 -24.5869 -24.3772 -24.3772 -24.3735 -24.3735 -15.9951 -15.9951 -8.2753 -8.2753 -8.2718 -8.2718 12.7821 12.7821 13.2561 13.2561 13.3812 13.3812 14.6327 14.6327 15.3330 15.3330 16.8880 16.8880 16.9494 16.9494 17.0200 17.0200 17.5447 17.5447 17.6274 17.6274 17.8583 17.8583 18.7158 18.7158 18.8045 18.8045 19.6045 19.6045 19.8017 19.8017 20.3957 20.3957 20.6236 20.6236 21.6321 21.6321 21.8754 21.8754 22.5251 22.5251 22.5828 22.5828 22.6295 22.6295 24.7823 24.7823 25.2379 25.2379 k = 0.3929 0.5000 0.3929 ( 3068 PWs) bands (ev): -57.8631 -57.8631 -57.8610 -57.8610 -57.8589 -57.8589 -41.7003 -41.7003 -28.5399 -28.5399 -28.4998 -28.4998 -28.4928 -28.4928 -24.8682 -24.8682 -24.7014 -24.7014 -24.6919 -24.6919 -24.5851 -24.5851 -24.3786 -24.3786 -24.3743 -24.3743 -15.9954 -15.9954 -8.2759 -8.2759 -8.2717 -8.2717 12.7259 12.7259 13.2788 13.2788 13.4235 13.4235 14.6659 14.6659 15.3554 15.3554 16.8977 16.8977 16.9576 16.9576 17.0436 17.0436 17.5374 17.5374 17.6279 17.6279 17.8774 17.8774 18.7092 18.7092 18.8108 18.8108 19.4974 19.4974 19.6991 19.6991 20.2936 20.2936 20.6163 20.6163 21.6769 21.6769 21.9251 21.9251 22.5211 22.5211 22.5805 22.5805 22.6407 22.6407 24.7632 24.7632 25.3072 25.3072 k = 0.3839 0.5000 0.3839 ( 3058 PWs) bands (ev): -57.8634 -57.8634 -57.8610 -57.8610 -57.8586 -57.8586 -41.7004 -41.7004 -28.5396 -28.5396 -28.5003 -28.5003 -28.4922 -28.4922 -24.8669 -24.8669 -24.7027 -24.7027 -24.6917 -24.6917 -24.5832 -24.5832 -24.3801 -24.3801 -24.3751 -24.3751 -15.9956 -15.9956 -8.2764 -8.2764 -8.2716 -8.2716 12.6678 12.6678 13.3031 13.3031 13.4694 13.4694 14.6999 14.6999 15.3791 15.3791 16.9067 16.9067 16.9647 16.9647 17.0692 17.0692 17.5299 17.5299 17.6279 17.6279 17.8999 17.8999 18.7026 18.7026 18.8165 18.8165 19.3900 19.3900 19.5976 19.5976 20.1881 20.1881 20.6086 20.6086 21.7193 21.7193 21.9723 21.9723 22.5166 22.5166 22.5781 22.5781 22.6520 22.6520 24.7418 24.7418 25.3817 25.3817 k = 0.3750 0.5000 0.3750 ( 3058 PWs) bands (ev): -57.8638 -57.8638 -57.8610 -57.8610 -57.8582 -57.8582 -41.7004 -41.7004 -28.5393 -28.5393 -28.5008 -28.5008 -28.4916 -28.4916 -24.8656 -24.8656 -24.7041 -24.7041 -24.6914 -24.6914 -24.5811 -24.5811 -24.3817 -24.3817 -24.3760 -24.3760 -15.9959 -15.9959 -8.2770 -8.2770 -8.2715 -8.2715 12.6079 12.6079 13.3288 13.3288 13.5189 13.5189 14.7345 14.7345 15.4041 15.4041 16.9150 16.9150 16.9701 16.9701 17.0966 17.0966 17.5219 17.5219 17.6275 17.6275 17.9258 17.9258 18.6960 18.6960 18.8209 18.8209 19.2828 19.2828 19.4976 19.4976 20.0807 20.0807 20.6004 20.6004 21.7591 21.7591 22.0171 22.0171 22.5115 22.5115 22.5755 22.5755 22.6633 22.6633 24.7179 24.7179 25.4612 25.4612 k = 0.3661 0.5000 0.3661 ( 3050 PWs) bands (ev): -57.8641 -57.8641 -57.8610 -57.8610 -57.8578 -57.8578 -41.7005 -41.7005 -28.5390 -28.5390 -28.5014 -28.5014 -28.4909 -28.4909 -24.8642 -24.8642 -24.7056 -24.7056 -24.6912 -24.6912 -24.5789 -24.5789 -24.3833 -24.3833 -24.3769 -24.3769 -15.9961 -15.9961 -8.2775 -8.2775 -8.2713 -8.2713 12.5466 12.5466 13.3560 13.3560 13.5717 13.5717 14.7696 14.7696 15.4300 15.4300 16.9225 16.9225 16.9733 16.9733 17.1259 17.1259 17.5132 17.5132 17.6276 17.6276 17.9549 17.9549 18.6891 18.6891 18.8230 18.8230 19.1765 19.1765 19.3997 19.3997 19.9729 19.9729 20.5917 20.5917 21.7965 21.7965 22.0595 22.0595 22.5062 22.5062 22.5733 22.5733 22.6742 22.6742 24.6916 24.6916 25.5453 25.5453 k = 0.3571 0.5000 0.3571 ( 3054 PWs) bands (ev): -57.8646 -57.8646 -57.8610 -57.8610 -57.8574 -57.8574 -41.7005 -41.7005 -28.5388 -28.5388 -28.5019 -28.5019 -28.4901 -28.4901 -24.8627 -24.8627 -24.7072 -24.7072 -24.6909 -24.6909 -24.5766 -24.5766 -24.3851 -24.3851 -24.3780 -24.3780 -15.9964 -15.9964 -8.2781 -8.2781 -8.2712 -8.2712 12.4842 12.4842 13.3845 13.3845 13.6278 13.6278 14.8051 14.8051 15.4568 15.4568 16.9290 16.9290 16.9740 16.9740 17.1566 17.1566 17.5036 17.5036 17.6287 17.6287 17.9869 17.9869 18.6816 18.6816 18.8210 18.8210 19.0722 19.0722 19.3044 19.3044 19.8664 19.8664 20.5824 20.5824 21.8317 21.8317 22.0997 22.0997 22.5007 22.5007 22.5717 22.5717 22.6846 22.6846 24.6630 24.6630 25.6338 25.6338 k = 0.3482 0.5000 0.3482 ( 3054 PWs) bands (ev): -57.8650 -57.8650 -57.8610 -57.8610 -57.8569 -57.8569 -41.7005 -41.7005 -28.5386 -28.5386 -28.5025 -28.5025 -28.4893 -28.4893 -24.8612 -24.8612 -24.7088 -24.7088 -24.6906 -24.6906 -24.5741 -24.5741 -24.3868 -24.3868 -24.3790 -24.3790 -15.9967 -15.9967 -8.2788 -8.2788 -8.2710 -8.2710 12.4209 12.4209 13.4144 13.4144 13.6870 13.6870 14.8408 14.8408 15.4841 15.4841 16.9341 16.9341 16.9722 16.9722 17.1886 17.1886 17.4930 17.4930 17.6317 17.6317 18.0218 18.0218 18.6729 18.6729 18.8111 18.8111 18.9730 18.9730 19.2128 19.2128 19.7632 19.7632 20.5727 20.5727 21.8648 21.8648 22.1379 22.1379 22.4952 22.4952 22.5711 22.5711 22.6944 22.6944 24.6321 24.6321 25.7263 25.7263 k = 0.3393 0.5000 0.3393 ( 3048 PWs) bands (ev): -57.8655 -57.8655 -57.8610 -57.8610 -57.8564 -57.8564 -41.7006 -41.7006 -28.5385 -28.5385 -28.5030 -28.5030 -28.4884 -28.4884 -24.8597 -24.8597 -24.7105 -24.7105 -24.6903 -24.6903 -24.5715 -24.5715 -24.3887 -24.3887 -24.3801 -24.3801 -15.9970 -15.9970 -8.2793 -8.2793 -8.2708 -8.2708 12.3569 12.3569 13.4457 13.4457 13.7493 13.7493 14.8767 14.8767 15.5120 15.5120 16.9368 16.9368 16.9688 16.9688 17.2214 17.2214 17.4814 17.4814 17.6369 17.6369 18.0593 18.0593 18.6615 18.6615 18.7826 18.7826 18.8885 18.8885 19.1261 19.1261 19.6653 19.6653 20.5625 20.5625 21.8960 21.8960 22.1742 22.1742 22.4898 22.4898 22.5720 22.5720 22.7036 22.7036 24.5990 24.5990 25.8225 25.8225 k = 0.3304 0.5000 0.3304 ( 3040 PWs) bands (ev): -57.8659 -57.8659 -57.8610 -57.8610 -57.8559 -57.8559 -41.7006 -41.7006 -28.5384 -28.5384 -28.5035 -28.5035 -28.4875 -28.4875 -24.8582 -24.8582 -24.7122 -24.7122 -24.6900 -24.6900 -24.5688 -24.5688 -24.3906 -24.3906 -24.3813 -24.3813 -15.9973 -15.9973 -8.2799 -8.2799 -8.2705 -8.2705 12.2925 12.2925 13.4782 13.4782 13.8143 13.8143 14.9127 14.9127 15.5399 15.5399 16.9345 16.9345 16.9662 16.9662 17.2540 17.2540 17.4696 17.4696 17.6441 17.6441 18.0990 18.0990 18.6443 18.6443 18.7200 18.7200 18.8341 18.8341 19.0466 19.0466 19.5756 19.5756 20.5518 20.5518 21.9256 21.9256 22.2086 22.2086 22.4846 22.4846 22.5748 22.5748 22.7123 22.7123 24.5638 24.5638 25.9218 25.9218 k = 0.3214 0.5000 0.3214 ( 3040 PWs) bands (ev): -57.8664 -57.8664 -57.8610 -57.8610 -57.8555 -57.8555 -41.7006 -41.7006 -28.5384 -28.5384 -28.5040 -28.5040 -28.4865 -28.4865 -24.8566 -24.8566 -24.7140 -24.7140 -24.6897 -24.6897 -24.5659 -24.5659 -24.3925 -24.3925 -24.3825 -24.3825 -15.9976 -15.9976 -8.2805 -8.2805 -8.2703 -8.2703 12.2279 12.2279 13.5118 13.5118 13.8821 13.8821 14.9487 14.9487 15.5679 15.5679 16.9255 16.9255 16.9663 16.9663 17.2846 17.2846 17.4593 17.4593 17.6532 17.6532 18.1407 18.1407 18.6057 18.6057 18.6496 18.6496 18.7940 18.7940 18.9771 18.9771 19.4968 19.4968 20.5405 20.5405 21.9536 21.9536 22.2413 22.2413 22.4797 22.4797 22.5799 22.5799 22.7207 22.7207 24.5266 24.5266 26.0239 26.0239 k = 0.3125 0.5000 0.3125 ( 3044 PWs) bands (ev): -57.8669 -57.8669 -57.8610 -57.8610 -57.8550 -57.8550 -41.7007 -41.7007 -28.5385 -28.5385 -28.5045 -28.5045 -28.4855 -28.4855 -24.8551 -24.8551 -24.7159 -24.7159 -24.6894 -24.6894 -24.5630 -24.5630 -24.3944 -24.3944 -24.3838 -24.3838 -15.9978 -15.9978 -8.2811 -8.2811 -8.2700 -8.2700 12.1632 12.1632 13.5464 13.5464 13.9525 13.9525 14.9847 14.9847 15.5954 15.5954 16.9106 16.9106 16.9683 16.9683 17.3091 17.3091 17.4543 17.4543 17.6633 17.6633 18.1833 18.1833 18.5263 18.5263 18.6065 18.6065 18.7489 18.7489 18.9210 18.9210 19.4315 19.4315 20.5287 20.5287 21.9800 21.9800 22.2721 22.2721 22.4751 22.4751 22.5879 22.5879 22.7291 22.7291 24.4875 24.4875 26.1282 26.1282 k = 0.3036 0.5000 0.3036 ( 3044 PWs) bands (ev): -57.8674 -57.8674 -57.8610 -57.8610 -57.8545 -57.8545 -41.7007 -41.7007 -28.5387 -28.5387 -28.5049 -28.5049 -28.4844 -28.4844 -24.8536 -24.8536 -24.7177 -24.7177 -24.6891 -24.6891 -24.5600 -24.5600 -24.3964 -24.3964 -24.3851 -24.3851 -15.9981 -15.9981 -8.2817 -8.2817 -8.2696 -8.2696 12.0985 12.0985 13.5821 13.5821 14.0253 14.0253 15.0206 15.0206 15.6225 15.6225 16.8915 16.8915 16.9711 16.9711 17.3214 17.3214 17.4611 17.4611 17.6736 17.6736 18.2246 18.2246 18.4406 18.4406 18.5619 18.5619 18.6936 18.6936 18.8801 18.8801 19.3809 19.3809 20.5165 20.5165 22.0049 22.0049 22.3010 22.3010 22.4712 22.4712 22.5991 22.5991 22.7381 22.7381 24.4467 24.4467 26.2337 26.2337 k = 0.2946 0.5000 0.2946 ( 3048 PWs) bands (ev): -57.8679 -57.8679 -57.8610 -57.8610 -57.8540 -57.8540 -41.7008 -41.7008 -28.5390 -28.5390 -28.5053 -28.5053 -28.4833 -28.4833 -24.8520 -24.8520 -24.7196 -24.7196 -24.6887 -24.6887 -24.5568 -24.5568 -24.3984 -24.3984 -24.3864 -24.3864 -15.9984 -15.9984 -8.2823 -8.2823 -8.2693 -8.2693 12.0342 12.0342 13.6186 13.6186 14.1003 14.1003 15.0564 15.0564 15.6486 15.6486 16.8691 16.8691 16.9739 16.9739 17.3184 17.3184 17.4826 17.4826 17.6825 17.6825 18.2544 18.2544 18.3683 18.3683 18.5095 18.5095 18.6279 18.6279 18.8535 18.8535 19.3442 19.3442 20.5039 20.5039 22.0282 22.0282 22.3274 22.3274 22.4686 22.4686 22.6138 22.6138 22.7482 22.7482 24.4043 24.4043 26.3380 26.3380 k = 0.2857 0.5000 0.2857 ( 3048 PWs) bands (ev): -57.8684 -57.8684 -57.8610 -57.8610 -57.8534 -57.8534 -41.7008 -41.7008 -28.5394 -28.5394 -28.5056 -28.5056 -28.4822 -28.4822 -24.8506 -24.8506 -24.7215 -24.7215 -24.6884 -24.6884 -24.5536 -24.5536 -24.4004 -24.4004 -24.3878 -24.3878 -15.9986 -15.9986 -8.2828 -8.2828 -8.2689 -8.2689 11.9702 11.9702 13.6560 13.6560 14.1774 14.1774 15.0920 15.0920 15.6736 15.6736 16.8439 16.8439 16.9766 16.9766 17.3040 17.3040 17.5149 17.5149 17.6880 17.6880 18.2341 18.2341 18.3426 18.3426 18.4603 18.4603 18.5534 18.5534 18.8386 18.8386 19.3191 19.3191 20.4910 20.4910 22.0495 22.0495 22.3503 22.3503 22.4685 22.4685 22.6319 22.6319 22.7604 22.7604 24.3604 24.3604 26.4317 26.4317 k = 0.2768 0.5000 0.2768 ( 3048 PWs) bands (ev): -57.8690 -57.8690 -57.8610 -57.8610 -57.8529 -57.8529 -41.7009 -41.7009 -28.5398 -28.5398 -28.5059 -28.5059 -28.4810 -28.4810 -24.8491 -24.8491 -24.7234 -24.7234 -24.6880 -24.6880 -24.5503 -24.5503 -24.4024 -24.4024 -24.3892 -24.3892 -15.9989 -15.9989 -8.2833 -8.2833 -8.2684 -8.2684 11.9068 11.9068 13.6940 13.6940 14.2564 14.2564 15.1275 15.1275 15.6971 15.6971 16.8164 16.8164 16.9791 16.9791 17.2831 17.2831 17.5523 17.5523 17.6879 17.6879 18.1765 18.1765 18.3223 18.3223 18.4446 18.4446 18.4774 18.4774 18.8320 18.8320 19.3028 19.3028 20.4778 20.4778 22.0688 22.0688 22.3676 22.3676 22.4729 22.4729 22.6531 22.6531 22.7760 22.7760 24.3154 24.3154 26.4566 26.4566 k = 0.2679 0.5000 0.2679 ( 3056 PWs) bands (ev): -57.8695 -57.8695 -57.8611 -57.8611 -57.8524 -57.8524 -41.7009 -41.7009 -28.5404 -28.5404 -28.5061 -28.5061 -28.4797 -28.4797 -24.8477 -24.8477 -24.7253 -24.7253 -24.6877 -24.6877 -24.5470 -24.5470 -24.4044 -24.4044 -24.3907 -24.3907 -15.9991 -15.9991 -8.2839 -8.2839 -8.2680 -8.2680 11.8442 11.8442 13.7326 13.7326 14.3371 14.3371 15.1626 15.1626 15.7189 15.7189 16.7870 16.7870 16.9815 16.9815 17.2585 17.2585 17.5894 17.5894 17.6809 17.6809 18.1230 18.1230 18.2657 18.2657 18.3819 18.3819 18.4897 18.4897 18.8311 18.8311 19.2922 19.2922 20.4644 20.4644 22.0855 22.0855 22.3774 22.3774 22.4839 22.4839 22.6766 22.6766 22.7966 22.7966 24.2692 24.2692 26.3810 26.3810 k = 0.2589 0.5000 0.2589 ( 3062 PWs) bands (ev): -57.8701 -57.8701 -57.8611 -57.8611 -57.8518 -57.8518 -41.7009 -41.7009 -28.5410 -28.5410 -28.5063 -28.5063 -28.4785 -28.4785 -24.8464 -24.8464 -24.7272 -24.7272 -24.6873 -24.6873 -24.5436 -24.5436 -24.4064 -24.4064 -24.3921 -24.3921 -15.9993 -15.9993 -8.2844 -8.2844 -8.2675 -8.2675 11.7823 11.7823 13.7717 13.7717 14.4193 14.4193 15.1975 15.1975 15.7385 15.7385 16.7559 16.7559 16.9837 16.9837 17.2317 17.2317 17.6097 17.6097 17.6790 17.6790 18.0840 18.0840 18.1977 18.1977 18.2954 18.2954 18.5393 18.5393 18.8343 18.8343 19.2856 19.2856 20.4509 20.4509 22.0994 22.0994 22.3798 22.3798 22.5014 22.5014 22.7018 22.7018 22.8239 22.8239 24.2223 24.2223 26.2807 26.2807 k = 0.2500 0.5000 0.2500 ( 3050 PWs) bands (ev): -57.8706 -57.8706 -57.8611 -57.8611 -57.8512 -57.8512 -41.7010 -41.7010 -28.5417 -28.5417 -28.5065 -28.5065 -28.4772 -28.4772 -24.8452 -24.8452 -24.7290 -24.7290 -24.6870 -24.6870 -24.5401 -24.5401 -24.4084 -24.4084 -24.3936 -24.3936 -15.9995 -15.9995 -8.2848 -8.2848 -8.2669 -8.2669 11.7214 11.7214 13.8111 13.8111 14.5028 14.5028 15.2321 15.2321 15.7558 15.7558 16.7235 16.7235 16.9860 16.9860 17.2035 17.2035 17.5858 17.5858 17.7076 17.7076 18.0617 18.0617 18.1275 18.1275 18.2088 18.2088 18.5949 18.5949 18.8407 18.8407 19.2811 19.2811 20.4375 20.4375 22.1101 22.1101 22.3767 22.3767 22.5236 22.5236 22.7278 22.7278 22.8594 22.8594 24.1749 24.1749 26.1742 26.1742 k = 0.2411 0.5000 0.2411 ( 3058 PWs) bands (ev): -57.8712 -57.8712 -57.8611 -57.8611 -57.8507 -57.8507 -41.7010 -41.7010 -28.5425 -28.5425 -28.5066 -28.5066 -28.4759 -28.4759 -24.8440 -24.8440 -24.7308 -24.7308 -24.6866 -24.6866 -24.5366 -24.5366 -24.4103 -24.4103 -24.3951 -24.3951 -15.9997 -15.9997 -8.2852 -8.2852 -8.2663 -8.2663 11.6615 11.6615 13.8507 13.8507 14.5874 14.5874 15.2663 15.2663 15.7704 15.7704 16.6898 16.6898 16.9882 16.9882 17.1740 17.1740 17.5361 17.5361 17.7496 17.7496 18.0520 18.0520 18.0589 18.0589 18.1254 18.1254 18.6525 18.6525 18.8499 18.8499 19.2776 19.2776 20.4241 20.4241 22.1175 22.1175 22.3699 22.3699 22.5482 22.5482 22.7547 22.7547 22.9036 22.9036 24.1272 24.1272 26.0647 26.0647 k = 0.2321 0.5000 0.2321 ( 3058 PWs) bands (ev): -57.8717 -57.8717 -57.8611 -57.8611 -57.8502 -57.8502 -41.7010 -41.7010 -28.5433 -28.5433 -28.5067 -28.5067 -28.4745 -28.4745 -24.8430 -24.8430 -24.7325 -24.7325 -24.6862 -24.6862 -24.5330 -24.5330 -24.4123 -24.4123 -24.3967 -24.3967 -15.9999 -15.9999 -8.2857 -8.2857 -8.2657 -8.2657 11.6029 11.6029 13.8904 13.8904 14.6728 14.6728 15.3001 15.3001 15.7821 15.7821 16.6553 16.6553 16.9907 16.9907 17.1440 17.1440 17.4750 17.4750 17.7924 17.7924 17.9938 17.9938 18.0267 18.0267 18.0720 18.0720 18.7104 18.7104 18.8624 18.8624 19.2743 19.2743 20.4111 20.4111 22.1212 22.1212 22.3606 22.3606 22.5740 22.5740 22.7831 22.7831 22.9564 22.9564 24.0796 24.0796 25.9534 25.9534 k = 0.2232 0.5000 0.2232 ( 3050 PWs) bands (ev): -57.8722 -57.8722 -57.8611 -57.8611 -57.8497 -57.8497 -41.7011 -41.7011 -28.5442 -28.5442 -28.5067 -28.5067 -28.4732 -28.4732 -24.8420 -24.8420 -24.7342 -24.7342 -24.6858 -24.6858 -24.5294 -24.5294 -24.4142 -24.4142 -24.3982 -24.3982 -16.0000 -16.0000 -8.2860 -8.2860 -8.2650 -8.2650 11.5455 11.5455 13.9299 13.9299 14.7587 14.7587 15.3336 15.3336 15.7906 15.7906 16.6201 16.6201 16.9934 16.9934 17.1136 17.1136 17.4082 17.4082 17.8234 17.8234 17.9447 17.9447 17.9533 17.9533 18.0771 18.0771 18.7654 18.7654 18.8800 18.8800 19.2709 19.2709 20.3986 20.3986 22.1213 22.1213 22.3495 22.3495 22.6003 22.6003 22.8135 22.8135 23.0170 23.0170 24.0327 24.0327 25.8409 25.8409 k = 0.2143 0.5000 0.2143 ( 3042 PWs) bands (ev): -57.8727 -57.8727 -57.8611 -57.8611 -57.8491 -57.8491 -41.7011 -41.7011 -28.5451 -28.5451 -28.5067 -28.5067 -28.4718 -28.4718 -24.8412 -24.8412 -24.7358 -24.7358 -24.6854 -24.6854 -24.5258 -24.5258 -24.4160 -24.4160 -24.3997 -24.3997 -16.0001 -16.0001 -8.2864 -8.2864 -8.2642 -8.2642 11.4895 11.4895 13.9693 13.9693 14.8450 14.8450 15.3665 15.3665 15.7960 15.7960 16.5844 16.5844 16.9965 16.9965 17.0831 17.0831 17.3387 17.3387 17.8096 17.8096 17.8779 17.8779 17.9437 17.9437 18.0928 18.0928 18.8119 18.8119 18.9077 18.9077 19.2670 19.2670 20.3868 20.3868 22.1179 22.1179 22.3369 22.3369 22.6266 22.6266 22.8465 22.8465 23.0846 23.0846 23.9870 23.9870 25.7276 25.7276 k = 0.2054 0.5000 0.2054 ( 3034 PWs) bands (ev): -57.8732 -57.8732 -57.8611 -57.8611 -57.8486 -57.8486 -41.7012 -41.7012 -28.5461 -28.5461 -28.5067 -28.5067 -28.4705 -28.4705 -24.8404 -24.8404 -24.7372 -24.7372 -24.6850 -24.6850 -24.5222 -24.5222 -24.4178 -24.4178 -24.4013 -24.4013 -16.0002 -16.0002 -8.2867 -8.2867 -8.2634 -8.2634 11.4351 11.4351 14.0082 14.0082 14.9312 14.9312 15.3991 15.3991 15.7980 15.7980 16.5484 16.5484 16.9997 16.9997 17.0526 17.0526 17.2685 17.2685 17.7596 17.7596 17.8059 17.8059 17.9822 17.9822 18.1123 18.1123 18.8444 18.8444 18.9498 18.9498 19.2628 19.2628 20.3759 20.3759 22.1111 22.1111 22.3230 22.3230 22.6526 22.6526 22.8821 22.8821 23.1578 23.1578 23.9436 23.9436 25.6137 25.6137 k = 0.1964 0.5000 0.1964 ( 3034 PWs) bands (ev): -57.8737 -57.8737 -57.8611 -57.8611 -57.8481 -57.8481 -41.7012 -41.7012 -28.5471 -28.5471 -28.5067 -28.5067 -28.4692 -28.4692 -24.8398 -24.8398 -24.7387 -24.7387 -24.6846 -24.6846 -24.5186 -24.5186 -24.4196 -24.4196 -24.4028 -24.4028 -16.0003 -16.0003 -8.2871 -8.2871 -8.2627 -8.2627 11.3822 11.3822 14.0465 14.0465 15.0172 15.0172 15.4312 15.4312 15.7968 15.7968 16.5122 16.5122 17.0025 17.0025 17.0231 17.0231 17.1988 17.1988 17.7020 17.7020 17.7381 17.7381 18.0314 18.0314 18.1341 18.1341 18.8659 18.8659 19.0021 19.0021 19.2589 19.2589 20.3664 20.3664 22.1013 22.1013 22.3077 22.3077 22.6783 22.6783 22.9201 22.9201 23.2349 23.2349 23.9039 23.9039 25.4996 25.4996 k = 0.1875 0.5000 0.1875 ( 3022 PWs) bands (ev): -57.8742 -57.8742 -57.8610 -57.8610 -57.8476 -57.8476 -41.7012 -41.7012 -28.5481 -28.5481 -28.5067 -28.5067 -28.4678 -28.4678 -24.8393 -24.8393 -24.7400 -24.7400 -24.6842 -24.6842 -24.5150 -24.5150 -24.4214 -24.4214 -24.4044 -24.4044 -16.0003 -16.0003 -8.2873 -8.2873 -8.2618 -8.2618 11.3310 11.3310 14.0841 14.0841 15.1026 15.1026 15.4628 15.4628 15.7926 15.7926 16.4760 16.4760 16.9894 16.9894 17.0099 17.0099 17.1304 17.1304 17.6445 17.6445 17.6748 17.6748 18.0838 18.0838 18.1575 18.1575 18.8825 18.8825 19.0570 19.0570 19.2566 19.2566 20.3587 20.3587 22.0888 22.0888 22.2911 22.2911 22.7037 22.7037 22.9601 22.9601 23.3129 23.3129 23.8708 23.8708 25.3857 25.3857 k = 0.1786 0.5000 0.1786 ( 3026 PWs) bands (ev): -57.8747 -57.8747 -57.8611 -57.8611 -57.8471 -57.8471 -41.7012 -41.7012 -28.5491 -28.5491 -28.5066 -28.5066 -28.4666 -28.4666 -24.8389 -24.8389 -24.7412 -24.7412 -24.6839 -24.6839 -24.5115 -24.5115 -24.4231 -24.4231 -24.4059 -24.4059 -16.0004 -16.0004 -8.2876 -8.2876 -8.2610 -8.2610 11.2815 11.2815 14.1207 14.1207 15.1870 15.1870 15.4939 15.4939 15.7857 15.7857 16.4399 16.4399 16.9602 16.9602 17.0131 17.0131 17.0642 17.0642 17.5884 17.5884 17.6161 17.6161 18.1376 18.1376 18.1813 18.1813 18.8965 18.8965 19.1076 19.1076 19.2590 19.2590 20.3530 20.3530 22.0741 22.0741 22.2732 22.2732 22.7287 22.7287 23.0017 23.0017 23.3866 23.3866 23.8493 23.8493 25.2723 25.2723 k = 0.1696 0.5000 0.1696 ( 3018 PWs) bands (ev): -57.8751 -57.8751 -57.8610 -57.8610 -57.8466 -57.8466 -41.7013 -41.7013 -28.5501 -28.5501 -28.5065 -28.5065 -28.4653 -28.4653 -24.8386 -24.8386 -24.7423 -24.7423 -24.6835 -24.6835 -24.5079 -24.5079 -24.4248 -24.4248 -24.4075 -24.4075 -16.0004 -16.0004 -8.2879 -8.2879 -8.2601 -8.2601 11.2339 11.2339 14.1561 14.1561 15.2701 15.2701 15.5246 15.5246 15.7764 15.7764 16.4042 16.4042 16.9299 16.9299 16.9999 16.9999 17.0182 17.0182 17.5342 17.5342 17.5626 17.5626 18.1918 18.1918 18.2060 18.2060 18.9093 18.9093 19.1458 19.1458 19.2729 19.2729 20.3501 20.3501 22.0574 22.0574 22.2541 22.2541 22.7532 22.7532 23.0440 23.0440 23.4471 23.4471 23.8481 23.8481 25.1598 25.1598 k = 0.1607 0.5000 0.1607 ( 3018 PWs) bands (ev): -57.8756 -57.8756 -57.8610 -57.8610 -57.8461 -57.8461 -41.7013 -41.7013 -28.5512 -28.5512 -28.5065 -28.5065 -28.4641 -28.4641 -24.8384 -24.8384 -24.7433 -24.7433 -24.6831 -24.6831 -24.5044 -24.5044 -24.4264 -24.4264 -24.4090 -24.4090 -16.0005 -16.0005 -8.2882 -8.2882 -8.2593 -8.2593 11.1883 11.1883 14.1901 14.1901 15.3513 15.3513 15.5547 15.5547 15.7653 15.7653 16.3690 16.3690 16.8973 16.8973 16.9420 16.9420 17.0221 17.0221 17.4819 17.4819 17.5145 17.5145 18.2290 18.2290 18.2480 18.2480 18.9214 18.9214 19.1643 19.1643 19.3043 19.3043 20.3504 20.3504 22.0391 22.0391 22.2336 22.2336 22.7773 22.7773 23.0862 23.0862 23.4843 23.4843 23.8772 23.8772 25.0484 25.0484 k = 0.1518 0.5000 0.1518 ( 3022 PWs) bands (ev): -57.8760 -57.8760 -57.8611 -57.8611 -57.8457 -57.8457 -41.7013 -41.7013 -28.5522 -28.5522 -28.5064 -28.5064 -28.4629 -28.4629 -24.8383 -24.8383 -24.7442 -24.7442 -24.6827 -24.6827 -24.5010 -24.5010 -24.4280 -24.4280 -24.4105 -24.4105 -16.0005 -16.0005 -8.2884 -8.2884 -8.2584 -8.2584 11.1447 11.1447 14.2225 14.2225 15.4301 15.4301 15.5844 15.5844 15.7533 15.7533 16.3344 16.3344 16.8561 16.8561 16.8955 16.8955 17.0262 17.0262 17.4316 17.4316 17.4716 17.4716 18.2532 18.2532 18.3027 18.3027 18.9328 18.9328 19.1679 19.1679 19.3476 19.3476 20.3547 20.3547 22.0196 22.0196 22.2119 22.2119 22.8008 22.8008 23.1269 23.1269 23.4961 23.4961 23.9390 23.9390 24.9387 24.9387 k = 0.1429 0.5000 0.1429 ( 3028 PWs) bands (ev): -57.8764 -57.8764 -57.8611 -57.8611 -57.8453 -57.8453 -41.7013 -41.7013 -28.5532 -28.5532 -28.5063 -28.5063 -28.4617 -28.4617 -24.8384 -24.8384 -24.7450 -24.7450 -24.6823 -24.6823 -24.4976 -24.4976 -24.4296 -24.4296 -24.4119 -24.4119 -16.0005 -16.0005 -8.2886 -8.2886 -8.2576 -8.2576 11.1031 11.1031 14.2531 14.2531 15.5055 15.5055 15.6135 15.6135 15.7417 15.7417 16.3006 16.3006 16.8048 16.8048 16.8623 16.8623 17.0297 17.0297 17.3836 17.3836 17.4337 17.4337 18.2766 18.2766 18.3572 18.3572 18.9437 18.9437 19.1645 19.1645 19.3943 19.3943 20.3636 20.3636 21.9992 21.9992 22.1889 22.1889 22.8236 22.8236 23.1643 23.1643 23.4917 23.4917 24.0248 24.0248 24.8313 24.8313 k = 0.1339 0.5000 0.1339 ( 3016 PWs) bands (ev): -57.8769 -57.8769 -57.8611 -57.8611 -57.8448 -57.8448 -41.7014 -41.7014 -28.5541 -28.5541 -28.5063 -28.5063 -28.4606 -28.4606 -24.8385 -24.8385 -24.7456 -24.7456 -24.6820 -24.6820 -24.4943 -24.4943 -24.4311 -24.4311 -24.4133 -24.4133 -16.0005 -16.0005 -8.2888 -8.2888 -8.2567 -8.2567 11.0637 11.0637 14.2818 14.2818 15.5757 15.5757 15.6408 15.6408 15.7337 15.7337 16.2680 16.2680 16.7512 16.7512 16.8352 16.8352 17.0327 17.0327 17.3384 17.3384 17.4003 17.4003 18.2993 18.2993 18.4114 18.4114 18.9540 18.9540 19.1584 19.1584 19.4396 19.4396 20.3778 20.3778 21.9782 21.9782 22.1648 22.1648 22.8458 22.8458 23.1957 23.1957 23.4826 23.4826 24.1246 24.1246 24.7271 24.7271 k = 0.1250 0.5000 0.1250 ( 3024 PWs) bands (ev): -57.8773 -57.8773 -57.8611 -57.8611 -57.8444 -57.8444 -41.7014 -41.7014 -28.5550 -28.5550 -28.5062 -28.5062 -28.4595 -28.4595 -24.8386 -24.8386 -24.7463 -24.7463 -24.6816 -24.6816 -24.4910 -24.4910 -24.4326 -24.4326 -24.4147 -24.4147 -16.0005 -16.0005 -8.2890 -8.2890 -8.2559 -8.2559 11.0266 11.0266 14.3084 14.3084 15.6362 15.6362 15.6614 15.6614 15.7387 15.7387 16.2363 16.2363 16.6985 16.6985 16.8105 16.8105 17.0348 17.0348 17.2957 17.2957 17.3712 17.3712 18.3211 18.3211 18.4646 18.4646 18.9637 18.9637 19.1511 19.1511 19.4809 19.4809 20.3978 20.3978 21.9568 21.9568 22.1396 22.1396 22.8672 22.8672 23.2170 23.2170 23.4778 23.4778 24.2301 24.2301 24.6278 24.6278 k = 0.1161 0.5000 0.1161 ( 3020 PWs) bands (ev): -57.8776 -57.8776 -57.8611 -57.8611 -57.8441 -57.8441 -41.7014 -41.7014 -28.5559 -28.5559 -28.5061 -28.5061 -28.4585 -28.4585 -24.8389 -24.8389 -24.7468 -24.7468 -24.6813 -24.6813 -24.4879 -24.4879 -24.4340 -24.4340 -24.4161 -24.4161 -16.0005 -16.0005 -8.2892 -8.2892 -8.2550 -8.2550 10.9917 10.9917 14.3327 14.3327 15.6649 15.6649 15.6832 15.6832 15.7713 15.7713 16.2060 16.2060 16.6476 16.6476 16.7876 16.7876 17.0358 17.0358 17.2558 17.2558 17.3462 17.3462 18.3418 18.3418 18.5166 18.5166 18.9729 18.9729 19.1440 19.1440 19.5174 19.5174 20.4237 20.4237 21.9354 21.9354 22.1133 22.1133 22.8877 22.8877 23.2252 23.2252 23.4833 23.4833 24.3306 24.3306 24.5410 24.5410 k = 0.1071 0.5000 0.1071 ( 3028 PWs) bands (ev): -57.8780 -57.8780 -57.8611 -57.8611 -57.8437 -57.8437 -41.7014 -41.7014 -28.5568 -28.5568 -28.5061 -28.5061 -28.4576 -28.4576 -24.8392 -24.8392 -24.7472 -24.7472 -24.6810 -24.6810 -24.4848 -24.4848 -24.4355 -24.4355 -24.4174 -24.4174 -16.0005 -16.0005 -8.2894 -8.2894 -8.2542 -8.2542 10.9592 10.9592 14.3546 14.3546 15.6589 15.6589 15.7174 15.7174 15.8233 15.8233 16.1772 16.1772 16.5989 16.5989 16.7663 16.7663 17.0356 17.0356 17.2186 17.2186 17.3250 17.3250 18.3614 18.3614 18.5671 18.5671 18.9813 18.9813 19.1372 19.1372 19.5483 19.5483 20.4555 20.4555 21.9140 21.9140 22.0862 22.0862 22.9073 22.9073 23.2201 23.2201 23.5004 23.5004 24.3707 24.3707 24.5195 24.5195 k = 0.0982 0.5000 0.0982 ( 3030 PWs) bands (ev): -57.8783 -57.8783 -57.8611 -57.8611 -57.8434 -57.8434 -41.7014 -41.7014 -28.5576 -28.5576 -28.5060 -28.5060 -28.4567 -28.4567 -24.8395 -24.8395 -24.7476 -24.7476 -24.6806 -24.6806 -24.4818 -24.4818 -24.4369 -24.4369 -24.4186 -24.4186 -16.0004 -16.0004 -8.2895 -8.2895 -8.2535 -8.2535 10.9291 10.9291 14.3741 14.3741 15.6494 15.6494 15.7472 15.7472 15.8799 15.8799 16.1501 16.1501 16.5522 16.5522 16.7466 16.7466 17.0343 17.0343 17.1844 17.1844 17.3071 17.3071 18.3796 18.3796 18.6156 18.6156 18.9892 18.9892 19.1311 19.1311 19.5737 19.5737 20.4927 20.4927 21.8929 21.8929 22.0585 22.0585 22.9257 22.9257 23.2055 23.2055 23.5262 23.5262 24.3084 24.3084 24.6038 24.6038 k = 0.0893 0.5000 0.0893 ( 3022 PWs) bands (ev): -57.8786 -57.8786 -57.8611 -57.8611 -57.8431 -57.8431 -41.7015 -41.7015 -28.5583 -28.5583 -28.5059 -28.5059 -28.4558 -28.4558 -24.8398 -24.8398 -24.7479 -24.7479 -24.6803 -24.6803 -24.4788 -24.4788 -24.4384 -24.4384 -24.4198 -24.4198 -16.0004 -16.0004 -8.2896 -8.2896 -8.2527 -8.2527 10.9014 10.9014 14.3912 14.3912 15.6398 15.6398 15.7753 15.7753 15.9354 15.9354 16.1249 16.1249 16.5079 16.5079 16.7285 16.7285 17.0319 17.0319 17.1531 17.1531 17.2924 17.2924 18.3964 18.3964 18.6619 18.6619 18.9964 18.9964 19.1260 19.1260 19.5940 19.5940 20.5344 20.5344 21.8723 21.8723 22.0303 22.0303 22.9430 22.9430 23.1856 23.1856 23.5567 23.5567 24.2280 24.2280 24.7085 24.7085 k = 0.0804 0.5000 0.0804 ( 3022 PWs) bands (ev): -57.8788 -57.8788 -57.8611 -57.8611 -57.8429 -57.8429 -41.7015 -41.7015 -28.5590 -28.5590 -28.5059 -28.5059 -28.4551 -28.4551 -24.8402 -24.8402 -24.7482 -24.7482 -24.6801 -24.6801 -24.4760 -24.4760 -24.4398 -24.4398 -24.4208 -24.4208 -16.0003 -16.0003 -8.2898 -8.2898 -8.2521 -8.2521 10.8762 10.8762 14.4059 14.4059 15.6310 15.6310 15.8024 15.8024 15.9876 15.9876 16.1018 16.1018 16.4657 16.4657 16.7119 16.7119 17.0287 17.0287 17.1248 17.1248 17.2803 17.2803 18.4117 18.4117 18.7054 18.7054 19.0028 19.0028 19.1219 19.1219 19.6096 19.6096 20.5796 20.5796 21.8523 21.8523 22.0021 22.0021 22.9590 22.9590 23.1633 23.1633 23.5888 23.5888 24.1488 24.1488 24.8127 24.8127 k = 0.0714 0.5000 0.0714 ( 3010 PWs) bands (ev): -57.8790 -57.8790 -57.8611 -57.8611 -57.8426 -57.8426 -41.7015 -41.7015 -28.5596 -28.5596 -28.5058 -28.5058 -28.4544 -28.4544 -24.8405 -24.8405 -24.7483 -24.7483 -24.6798 -24.6798 -24.4732 -24.4732 -24.4412 -24.4412 -24.4218 -24.4218 -16.0003 -16.0003 -8.2898 -8.2898 -8.2514 -8.2514 10.8536 10.8536 14.4184 14.4184 15.6234 15.6234 15.8288 15.8288 16.0348 16.0348 16.0816 16.0816 16.4257 16.4257 16.6971 16.6971 17.0248 17.0248 17.0995 17.0995 17.2706 17.2706 18.4256 18.4256 18.7459 18.7459 19.0085 19.0085 19.1188 19.1188 19.6215 19.6215 20.6267 20.6267 21.8330 21.8330 21.9744 21.9744 22.9737 22.9737 23.1408 23.1408 23.6205 23.6205 24.0747 24.0747 24.9120 24.9120 k = 0.0625 0.5000 0.0625 ( 3020 PWs) bands (ev): -57.8793 -57.8793 -57.8611 -57.8611 -57.8424 -57.8424 -41.7015 -41.7015 -28.5602 -28.5602 -28.5058 -28.5058 -28.4538 -28.4538 -24.8409 -24.8409 -24.7485 -24.7485 -24.6796 -24.6796 -24.4706 -24.4706 -24.4427 -24.4427 -24.4227 -24.4227 -16.0003 -16.0003 -8.2899 -8.2899 -8.2509 -8.2509 10.8335 10.8335 14.4287 14.4287 15.6171 15.6171 15.8544 15.8544 16.0570 16.0570 16.0838 16.0838 16.3881 16.3881 16.6838 16.6838 17.0205 17.0205 17.0772 17.0772 17.2628 17.2628 18.4376 18.4376 18.7825 18.7825 19.0135 19.0135 19.1165 19.1165 19.6299 19.6299 20.6744 20.6744 21.8143 21.8143 21.9477 21.9477 22.9867 22.9867 23.1192 23.1192 23.6503 23.6503 24.0068 24.0068 25.0040 25.0040 k = 0.0536 0.5000 0.0536 ( 3016 PWs) bands (ev): -57.8795 -57.8795 -57.8611 -57.8611 -57.8422 -57.8422 -41.7015 -41.7015 -28.5607 -28.5607 -28.5057 -28.5057 -28.4533 -28.4533 -24.8412 -24.8412 -24.7486 -24.7486 -24.6794 -24.6794 -24.4681 -24.4681 -24.4442 -24.4442 -24.4235 -24.4235 -16.0002 -16.0002 -8.2900 -8.2900 -8.2504 -8.2504 10.8160 10.8160 14.4371 14.4371 15.6121 15.6121 15.8792 15.8792 16.0427 16.0427 16.1196 16.1196 16.3530 16.3530 16.6723 16.6723 17.0159 17.0159 17.0579 17.0579 17.2566 17.2566 18.4482 18.4482 18.8152 18.8152 19.0177 19.0177 19.1150 19.1150 19.6360 19.6360 20.7211 20.7211 21.7966 21.7966 21.9227 21.9227 22.9982 22.9982 23.0993 23.0993 23.6774 23.6774 23.9463 23.9463 25.0868 25.0868 k = 0.0446 0.5000 0.0446 ( 3020 PWs) bands (ev): -57.8797 -57.8797 -57.8611 -57.8611 -57.8420 -57.8420 -41.7015 -41.7015 -28.5611 -28.5611 -28.5057 -28.5057 -28.4528 -28.4528 -24.8415 -24.8415 -24.7487 -24.7487 -24.6792 -24.6792 -24.4657 -24.4657 -24.4458 -24.4458 -24.4242 -24.4242 -16.0002 -16.0002 -8.2901 -8.2901 -8.2499 -8.2499 10.8012 10.8012 14.4438 14.4438 15.6084 15.6084 15.9029 15.9029 16.0288 16.0288 16.1520 16.1520 16.3210 16.3210 16.6624 16.6624 17.0114 17.0114 17.0419 17.0419 17.2518 17.2518 18.4571 18.4571 18.8434 18.8434 19.0212 19.0212 19.1142 19.1142 19.6402 19.6402 20.7650 20.7650 21.7797 21.7797 21.9002 21.9002 23.0080 23.0080 23.0817 23.0817 23.7007 23.7007 23.8943 23.8943 25.1592 25.1592 k = 0.0357 0.5000 0.0357 ( 3020 PWs) bands (ev): -57.8798 -57.8798 -57.8611 -57.8611 -57.8419 -57.8419 -41.7015 -41.7015 -28.5614 -28.5614 -28.5057 -28.5057 -28.4524 -28.4524 -24.8417 -24.8417 -24.7488 -24.7488 -24.6791 -24.6791 -24.4634 -24.4634 -24.4474 -24.4474 -24.4248 -24.4248 -16.0002 -16.0002 -8.2902 -8.2902 -8.2496 -8.2496 10.7890 10.7890 14.4489 14.4489 15.6056 15.6056 15.9249 15.9249 16.0171 16.0171 16.1784 16.1784 16.2925 16.2925 16.6544 16.6544 17.0070 17.0070 17.0290 17.0290 17.2481 17.2481 18.4643 18.4643 18.8670 18.8670 19.0240 19.0240 19.1140 19.1140 19.6430 19.6430 20.8045 20.8045 21.7642 21.7642 21.8810 21.8810 23.0162 23.0162 23.0669 23.0669 23.7193 23.7193 23.8518 23.8518 25.2198 25.2198 k = 0.0268 0.5000 0.0268 ( 3026 PWs) bands (ev): -57.8799 -57.8799 -57.8611 -57.8611 -57.8418 -57.8418 -41.7015 -41.7015 -28.5617 -28.5617 -28.5056 -28.5056 -28.4522 -28.4522 -24.8419 -24.8419 -24.7489 -24.7489 -24.6790 -24.6790 -24.4612 -24.4612 -24.4490 -24.4490 -24.4252 -24.4252 -16.0002 -16.0002 -8.2902 -8.2902 -8.2493 -8.2493 10.7795 10.7795 14.4526 14.4526 15.6037 15.6037 15.9444 15.9444 16.0079 16.0079 16.1982 16.1982 16.2691 16.2691 16.6481 16.6481 17.0029 17.0029 17.0197 17.0197 17.2453 17.2453 18.4699 18.4699 18.8855 18.8855 19.0261 19.0261 19.1139 19.1139 19.6448 19.6448 20.8378 20.8378 21.7505 21.7505 21.8656 21.8656 23.0225 23.0225 23.0550 23.0550 23.7318 23.7318 23.8204 23.8204 25.2677 25.2677 k = 0.0179 0.5000 0.0179 ( 3026 PWs) bands (ev): -57.8800 -57.8800 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5619 -28.5619 -28.5056 -28.5056 -28.4520 -28.4520 -24.8420 -24.8420 -24.7489 -24.7489 -24.6789 -24.6789 -24.4591 -24.4591 -24.4506 -24.4506 -24.4255 -24.4255 -16.0002 -16.0002 -8.2902 -8.2902 -8.2491 -8.2491 10.7727 10.7727 14.4551 14.4551 15.6025 15.6025 15.9602 15.9602 16.0014 16.0014 16.2096 16.2096 16.2533 16.2533 16.6436 16.6436 16.9993 16.9993 17.0136 17.0136 17.2433 17.2433 18.4739 18.4739 18.8988 18.8988 19.0277 19.0277 19.1142 19.1142 19.6459 19.6459 20.8632 20.8632 21.7396 21.7396 21.8545 21.8545 23.0271 23.0271 23.0464 23.0464 23.7371 23.7371 23.8016 23.8016 25.3024 25.3024 k = 0.0089 0.5000 0.0089 ( 3026 PWs) bands (ev): -57.8801 -57.8801 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5056 -28.5056 -28.4518 -28.4518 -24.8421 -24.8421 -24.7489 -24.7489 -24.6788 -24.6788 -24.4574 -24.4574 -24.4521 -24.4521 -24.4257 -24.4257 -16.0002 -16.0002 -8.2903 -8.2903 -8.2490 -8.2490 10.7687 10.7687 14.4566 14.4566 15.6018 15.6018 15.9707 15.9707 15.9976 15.9976 16.2119 16.2119 16.2472 16.2472 16.6409 16.6409 16.9967 16.9967 17.0102 17.0102 17.2422 17.2422 18.4763 18.4763 18.9069 18.9069 19.0286 19.0286 19.1144 19.1144 19.6465 19.6465 20.8791 20.8791 21.7326 21.7326 21.8478 21.8478 23.0298 23.0298 23.0412 23.0412 23.7365 23.7365 23.7940 23.7940 25.3234 25.3234 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -57.8801 -57.8801 -57.8611 -57.8611 -57.8416 -57.8416 -41.7015 -41.7015 -28.5620 -28.5620 -28.5056 -28.5056 -28.4518 -28.4518 -24.8422 -24.8422 -24.7489 -24.7489 -24.6788 -24.6788 -24.4564 -24.4564 -24.4530 -24.4530 -24.4258 -24.4258 -16.0002 -16.0002 -8.2903 -8.2903 -8.2490 -8.2490 10.7673 10.7673 14.4571 14.4571 15.6016 15.6016 15.9744 15.9744 15.9963 15.9963 16.2112 16.2112 16.2465 16.2465 16.6400 16.6400 16.9958 16.9958 17.0092 17.0092 17.2418 17.2418 18.4771 18.4771 18.9096 18.9096 19.0289 19.0289 19.1145 19.1145 19.6467 19.6467 20.8846 20.8846 21.7301 21.7301 21.8456 21.8456 23.0307 23.0307 23.0395 23.0395 23.7354 23.7354 23.7924 23.7924 25.3304 25.3304 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5223 -28.5223 -28.5079 -28.5079 -28.4933 -28.4933 -24.8193 -24.8193 -24.7516 -24.7516 -24.6853 -24.6853 -24.5092 -24.5092 -24.4586 -24.4586 -24.3808 -24.3808 -16.0021 -16.0021 -8.2920 -8.2920 -8.2695 -8.2695 12.1864 12.1864 13.9103 13.9103 14.0176 14.0176 15.3918 15.3918 16.4861 16.4861 17.1548 17.1548 17.2158 17.2158 17.2764 17.2764 17.4187 17.4187 17.4192 17.4192 17.5646 17.5646 17.6982 17.6982 17.9147 17.9147 18.7652 18.7652 18.9564 18.9564 19.1880 19.1880 19.4089 19.4089 22.0351 22.0351 22.2703 22.2703 22.4921 22.4921 22.5882 22.5882 23.4023 23.4023 24.5288 24.5288 25.0241 25.0241 k = 0.5000 0.5000 0.0128 ( 3048 PWs) bands (ev): -57.8611 -57.8611 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5224 -28.5224 -28.5078 -28.5078 -28.4933 -28.4933 -24.8195 -24.8195 -24.7514 -24.7514 -24.6853 -24.6853 -24.5096 -24.5096 -24.4582 -24.4582 -24.3808 -24.3808 -16.0021 -16.0021 -8.2919 -8.2919 -8.2695 -8.2695 12.1874 12.1874 13.9086 13.9086 14.0158 14.0158 15.3903 15.3903 16.4798 16.4798 17.1516 17.1516 17.2041 17.2041 17.2885 17.2885 17.4229 17.4229 17.4294 17.4294 17.5655 17.5655 17.6995 17.6995 17.9144 17.9144 18.7613 18.7613 18.9520 18.9520 19.1986 19.1986 19.4076 19.4076 22.0346 22.0346 22.2694 22.2694 22.4932 22.4932 22.5898 22.5898 23.4044 23.4044 24.4911 24.4911 25.0640 25.0640 k = 0.5000 0.5000 0.0256 ( 3040 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5226 -28.5226 -28.5077 -28.5077 -28.4933 -28.4933 -24.8200 -24.8200 -24.7509 -24.7509 -24.6853 -24.6853 -24.5108 -24.5108 -24.4571 -24.4571 -24.3807 -24.3807 -16.0021 -16.0021 -8.2918 -8.2918 -8.2695 -8.2695 12.1906 12.1906 13.9035 13.9035 14.0102 14.0102 15.3858 15.3858 16.4614 16.4614 17.1429 17.1429 17.1803 17.1803 17.3150 17.3150 17.4340 17.4340 17.4576 17.4576 17.5685 17.5685 17.7040 17.7040 17.9136 17.9136 18.7490 18.7490 18.9429 18.9429 19.2269 19.2269 19.4037 19.4037 22.0334 22.0334 22.2667 22.2667 22.4964 22.4964 22.5944 22.5944 23.4108 23.4108 24.4014 24.4014 25.1600 25.1600 k = 0.5000 0.5000 0.0385 ( 3040 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8608 -57.8608 -41.7011 -41.7011 -28.5228 -28.5228 -28.5075 -28.5075 -28.4933 -28.4933 -24.8208 -24.8208 -24.7500 -24.7500 -24.6854 -24.6854 -24.5126 -24.5126 -24.4553 -24.4553 -24.3806 -24.3806 -16.0020 -16.0020 -8.2917 -8.2917 -8.2695 -8.2695 12.1958 12.1958 13.8951 13.8951 14.0009 14.0009 15.3783 15.3783 16.4327 16.4327 17.1304 17.1304 17.1541 17.1541 17.3496 17.3496 17.4488 17.4488 17.4987 17.4987 17.5734 17.5734 17.7129 17.7129 17.9123 17.9123 18.7275 18.7275 18.9362 18.9362 19.2665 19.2665 19.3971 19.3971 22.0313 22.0313 22.2624 22.2624 22.5015 22.5015 22.6017 22.6017 23.4213 23.4213 24.2904 24.2904 25.2817 25.2817 k = 0.5000 0.5000 0.0513 ( 3060 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7011 -41.7011 -28.5233 -28.5233 -28.5072 -28.5072 -28.4934 -28.4934 -24.8220 -24.8220 -24.7489 -24.7489 -24.6855 -24.6855 -24.5149 -24.5149 -24.4529 -24.4529 -24.3805 -24.3805 -16.0019 -16.0019 -8.2915 -8.2915 -8.2697 -8.2697 12.2031 12.2031 13.8835 13.8835 13.9882 13.9882 15.3679 15.3679 16.3957 16.3957 17.1159 17.1159 17.1283 17.1283 17.3904 17.3904 17.4633 17.4633 17.5485 17.5485 17.5797 17.5797 17.7284 17.7284 17.9109 17.9109 18.6974 18.6974 18.9358 18.9358 19.3126 19.3126 19.3878 19.3878 22.0283 22.0283 22.2566 22.2566 22.5083 22.5083 22.6114 22.6114 23.4354 23.4354 24.1726 24.1726 25.4143 25.4143 k = 0.5000 0.5000 0.0641 ( 3060 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7011 -41.7011 -28.5237 -28.5237 -28.5068 -28.5068 -28.4934 -28.4934 -24.8234 -24.8234 -24.7474 -24.7474 -24.6856 -24.6856 -24.5177 -24.5177 -24.4501 -24.4501 -24.3804 -24.3804 -16.0018 -16.0018 -8.2912 -8.2912 -8.2697 -8.2697 12.2125 12.2125 13.8689 13.8689 13.9722 13.9722 15.3547 15.3547 16.3526 16.3526 17.1011 17.1011 17.1043 17.1043 17.4364 17.4364 17.4746 17.4746 17.5863 17.5863 17.6046 17.6046 17.7534 17.7534 17.9099 17.9099 18.6609 18.6609 18.9426 18.9426 19.3630 19.3630 19.3763 19.3763 22.0247 22.0247 22.2497 22.2497 22.5169 22.5169 22.6231 22.6231 23.4525 23.4525 24.0548 24.0548 25.5523 25.5523 k = 0.5000 0.5000 0.0769 ( 3060 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7011 -41.7011 -28.5243 -28.5243 -28.5064 -28.5064 -28.4935 -28.4935 -24.8250 -24.8250 -24.7458 -24.7458 -24.6857 -24.6857 -24.5207 -24.5207 -24.4471 -24.4471 -24.3802 -24.3802 -16.0017 -16.0017 -8.2908 -8.2908 -8.2697 -8.2697 12.2239 12.2239 13.8515 13.8515 13.9531 13.9531 15.3389 15.3389 16.3052 16.3052 17.0824 17.0824 17.0866 17.0866 17.4816 17.4816 17.4856 17.4856 17.5912 17.5912 17.6653 17.6653 17.7894 17.7894 17.9101 17.9101 18.6203 18.6203 18.9561 18.9561 19.3624 19.3624 19.4159 19.4159 22.0204 22.0204 22.2421 22.2421 22.5268 22.5268 22.6364 22.6364 23.4711 23.4711 23.9410 23.9410 25.6603 25.6603 k = 0.5000 0.5000 0.0897 ( 3060 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7010 -41.7010 -28.5249 -28.5249 -28.5060 -28.5060 -28.4935 -28.4935 -24.8268 -24.8268 -24.7439 -24.7439 -24.6858 -24.6858 -24.5240 -24.5240 -24.4438 -24.4438 -24.3799 -24.3799 -16.0015 -16.0015 -8.2904 -8.2904 -8.2698 -8.2698 12.2374 12.2374 13.8314 13.8314 13.9311 13.9311 15.3206 15.3206 16.2548 16.2548 17.0629 17.0629 17.0730 17.0730 17.4846 17.4846 17.5362 17.5362 17.5935 17.5935 17.7290 17.7290 17.8361 17.8361 17.9128 17.9128 18.5774 18.5774 18.9753 18.9753 19.3466 19.3466 19.4704 19.4704 22.0154 22.0154 22.2337 22.2337 22.5379 22.5379 22.6506 22.6506 23.4878 23.4878 23.8360 23.8360 25.6607 25.6607 k = 0.5000 0.5000 0.1026 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7010 -41.7010 -28.5256 -28.5256 -28.5055 -28.5055 -28.4936 -28.4936 -24.8288 -24.8288 -24.7419 -24.7419 -24.6860 -24.6860 -24.5274 -24.5274 -24.4404 -24.4404 -24.3797 -24.3797 -16.0013 -16.0013 -8.2900 -8.2900 -8.2698 -8.2698 12.2529 12.2529 13.8089 13.8089 13.9066 13.9066 15.3000 15.3000 16.2025 16.2025 17.0457 17.0457 17.0605 17.0605 17.4843 17.4843 17.5856 17.5856 17.5934 17.5934 17.7941 17.7941 17.8920 17.8920 17.9206 17.9206 18.5336 18.5336 18.9999 18.9999 19.3289 19.3289 19.5258 19.5258 22.0099 22.0099 22.2249 22.2249 22.5499 22.5499 22.6654 22.6654 23.4938 23.4938 23.7497 23.7497 25.6609 25.6609 k = 0.5000 0.5000 0.1154 ( 3060 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7010 -41.7010 -28.5263 -28.5263 -28.5050 -28.5050 -28.4937 -28.4937 -24.8309 -24.8309 -24.7398 -24.7398 -24.6862 -24.6862 -24.5309 -24.5309 -24.4368 -24.4368 -24.3794 -24.3794 -16.0011 -16.0011 -8.2895 -8.2895 -8.2699 -8.2699 12.2703 12.2703 13.7843 13.7843 13.8798 13.8798 15.2771 15.2771 16.1492 16.1492 17.0306 17.0306 17.0490 17.0490 17.4813 17.4813 17.5912 17.5912 17.6309 17.6309 17.8560 17.8560 17.9394 17.9394 17.9554 17.9554 18.4897 18.4897 19.0297 19.0297 19.3092 19.3092 19.5817 19.5817 22.0036 22.0036 22.2157 22.2157 22.5623 22.5623 22.6802 22.6802 23.4702 23.4702 23.7011 23.7011 25.6608 25.6608 k = 0.5000 0.5000 0.1282 ( 3076 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7010 -41.7010 -28.5270 -28.5270 -28.5045 -28.5045 -28.4938 -28.4938 -24.8331 -24.8331 -24.7376 -24.7376 -24.6864 -24.6864 -24.5345 -24.5345 -24.4333 -24.4333 -24.3791 -24.3791 -16.0009 -16.0009 -8.2890 -8.2890 -8.2700 -8.2700 12.2897 12.2897 13.7578 13.7578 13.8510 13.8510 15.2523 15.2523 16.0955 16.0955 17.0175 17.0175 17.0386 17.0386 17.4759 17.4759 17.5873 17.5873 17.6684 17.6684 17.9059 17.9059 17.9804 17.9804 18.0252 18.0252 18.4465 18.4465 19.0646 19.0646 19.2882 19.2882 19.6377 19.6377 21.9967 21.9967 22.2062 22.2062 22.5749 22.5749 22.6946 22.6946 23.4091 23.4091 23.6986 23.6986 25.6600 25.6600 k = 0.5000 0.5000 0.1410 ( 3068 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7009 -41.7009 -28.5278 -28.5278 -28.5040 -28.5040 -28.4938 -28.4938 -24.8353 -24.8353 -24.7353 -24.7353 -24.6866 -24.6866 -24.5380 -24.5380 -24.4297 -24.4297 -24.3788 -24.3788 -16.0006 -16.0006 -8.2884 -8.2884 -8.2701 -8.2701 12.3110 12.3110 13.7298 13.7298 13.8206 13.8206 15.2256 15.2256 16.0420 16.0420 17.0063 17.0063 17.0293 17.0293 17.4686 17.4686 17.5824 17.5824 17.6956 17.6956 17.9452 17.9452 18.0438 18.0438 18.1003 18.1003 18.4050 18.4050 19.1048 19.1048 19.2660 19.2660 19.6939 19.6939 21.9893 21.9893 22.1966 22.1966 22.5876 22.5876 22.7083 22.7083 23.3297 23.3297 23.7231 23.7231 25.6587 25.6587 k = 0.5000 0.5000 0.1538 ( 3068 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7009 -41.7009 -28.5286 -28.5286 -28.5035 -28.5035 -28.4939 -28.4939 -24.8376 -24.8376 -24.7330 -24.7330 -24.6868 -24.6868 -24.5416 -24.5416 -24.4261 -24.4261 -24.3784 -24.3784 -16.0003 -16.0003 -8.2877 -8.2877 -8.2702 -8.2702 12.3342 12.3342 13.7004 13.7004 13.7888 13.7888 15.1974 15.1974 15.9890 15.9890 16.9968 16.9968 17.0207 17.0207 17.4593 17.4593 17.5766 17.5766 17.7122 17.7122 17.9847 17.9847 18.1174 18.1174 18.1799 18.1799 18.3658 18.3658 19.1503 19.1503 19.2427 19.2427 19.7498 19.7498 21.9811 21.9811 22.1866 22.1866 22.5999 22.5999 22.7209 22.7209 23.2467 23.2467 23.7601 23.7601 25.6564 25.6564 k = 0.5000 0.5000 0.1667 ( 3068 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7009 -41.7009 -28.5294 -28.5294 -28.5030 -28.5030 -28.4940 -28.4940 -24.8399 -24.8399 -24.7306 -24.7306 -24.6871 -24.6871 -24.5451 -24.5451 -24.4225 -24.4225 -24.3780 -24.3780 -16.0000 -16.0000 -8.2870 -8.2870 -8.2702 -8.2702 12.3591 12.3591 13.6700 13.6700 13.7559 13.7559 15.1676 15.1676 15.9367 15.9367 16.9886 16.9886 17.0127 17.0127 17.4481 17.4481 17.5701 17.5701 17.7202 17.7202 18.0257 18.0257 18.1959 18.1959 18.2634 18.2634 18.3307 18.3307 19.2013 19.2013 19.2186 19.2186 19.8053 19.8053 21.9721 21.9721 22.1764 22.1764 22.6116 22.6116 22.7318 22.7318 23.1658 23.1658 23.8036 23.8036 25.6530 25.6530 k = 0.5000 0.5000 0.1795 ( 3068 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8609 -57.8609 -41.7008 -41.7008 -28.5302 -28.5302 -28.5025 -28.5025 -28.4941 -28.4941 -24.8422 -24.8422 -24.7283 -24.7283 -24.6874 -24.6874 -24.5486 -24.5486 -24.4189 -24.4189 -24.3776 -24.3776 -15.9997 -15.9997 -8.2863 -8.2863 -8.2703 -8.2703 12.3858 12.3858 13.6388 13.6388 13.7223 13.7223 15.1365 15.1365 15.8855 15.8855 16.9816 16.9816 17.0051 17.0051 17.4350 17.4350 17.5634 17.5634 17.7223 17.7223 18.0633 18.0633 18.2774 18.2774 18.3031 18.3031 18.3504 18.3504 19.1938 19.1938 19.2579 19.2579 19.8603 19.8603 21.9622 21.9622 22.1658 22.1658 22.6223 22.6223 22.7408 22.7408 23.0892 23.0892 23.8514 23.8514 25.6482 25.6482 k = 0.5000 0.5000 0.1923 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7008 -41.7008 -28.5309 -28.5309 -28.5020 -28.5020 -28.4942 -28.4942 -24.8445 -24.8445 -24.7259 -24.7259 -24.6876 -24.6876 -24.5520 -24.5520 -24.4155 -24.4155 -24.3772 -24.3772 -15.9994 -15.9994 -8.2856 -8.2856 -8.2704 -8.2704 12.4141 12.4141 13.6071 13.6071 13.6882 13.6882 15.1043 15.1043 15.8356 15.8356 16.9757 16.9757 16.9978 16.9978 17.4200 17.4200 17.5568 17.5568 17.7208 17.7208 18.0898 18.0898 18.2879 18.2879 18.3627 18.3627 18.4404 18.4404 19.1688 19.1688 19.3199 19.3199 19.9146 19.9146 21.9512 21.9512 22.1548 22.1548 22.6320 22.6320 22.7476 22.7476 23.0183 23.0183 23.9022 23.9022 25.6418 25.6418 k = 0.5000 0.5000 0.2051 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7008 -41.7008 -28.5317 -28.5317 -28.5015 -28.5015 -28.4943 -28.4943 -24.8468 -24.8468 -24.7236 -24.7236 -24.6879 -24.6879 -24.5553 -24.5553 -24.4120 -24.4120 -24.3767 -24.3767 -15.9990 -15.9990 -8.2848 -8.2848 -8.2705 -8.2705 12.4440 12.4440 13.5751 13.5751 13.6538 13.6538 15.0710 15.0710 15.7870 15.7870 16.9705 16.9705 16.9904 16.9904 17.4028 17.4028 17.5504 17.5504 17.7171 17.7171 18.0968 18.0968 18.2931 18.2931 18.4500 18.4500 18.5330 18.5330 19.1437 19.1437 19.3873 19.3873 19.9679 19.9679 21.9391 21.9391 22.1432 22.1432 22.6403 22.6403 22.7517 22.7517 22.9532 22.9532 23.9552 23.9552 25.6335 25.6335 k = 0.5000 0.5000 0.2179 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7007 -41.7007 -28.5325 -28.5325 -28.5011 -28.5011 -28.4944 -28.4944 -24.8490 -24.8490 -24.7213 -24.7213 -24.6882 -24.6882 -24.5586 -24.5586 -24.4087 -24.4087 -24.3763 -24.3763 -15.9987 -15.9987 -8.2840 -8.2840 -8.2706 -8.2706 12.4754 12.4754 13.5430 13.5430 13.6194 13.6194 15.0369 15.0369 15.7398 15.7398 16.9658 16.9658 16.9829 16.9829 17.3834 17.3834 17.5447 17.5447 17.7120 17.7120 18.0851 18.0851 18.3166 18.3166 18.5396 18.5396 18.6277 18.6277 19.1190 19.1190 19.4599 19.4599 20.0203 20.0203 21.9255 21.9255 22.1308 22.1308 22.6471 22.6471 22.7528 22.7528 22.8946 22.8946 24.0098 24.0098 25.6229 25.6229 k = 0.5000 0.5000 0.2308 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7007 -41.7007 -28.5333 -28.5333 -28.5007 -28.5007 -28.4946 -28.4946 -24.8512 -24.8512 -24.7190 -24.7190 -24.6885 -24.6885 -24.5618 -24.5618 -24.4055 -24.4055 -24.3758 -24.3758 -15.9984 -15.9984 -8.2832 -8.2832 -8.2707 -8.2707 12.5082 12.5082 13.5110 13.5110 13.5852 13.5852 15.0020 15.0020 15.6943 15.6943 16.9616 16.9616 16.9752 16.9752 17.3617 17.3617 17.5400 17.5400 17.7063 17.7063 18.0629 18.0629 18.3497 18.3497 18.6316 18.6316 18.7237 18.7237 19.0952 19.0952 19.5374 19.5374 20.0714 20.0714 21.9103 21.9103 22.1174 22.1174 22.6522 22.6522 22.7502 22.7502 22.8430 22.8430 24.0656 24.0656 25.6097 25.6097 k = 0.5000 0.5000 0.2436 ( 3060 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7006 -41.7006 -28.5340 -28.5340 -28.5003 -28.5003 -28.4947 -28.4947 -24.8533 -24.8533 -24.7169 -24.7169 -24.6889 -24.6889 -24.5648 -24.5648 -24.4023 -24.4023 -24.3754 -24.3754 -15.9980 -15.9980 -8.2824 -8.2824 -8.2708 -8.2708 12.5423 12.5423 13.4794 13.4794 13.5514 13.5514 14.9666 14.9666 15.6505 15.6505 16.9575 16.9575 16.9671 16.9671 17.3378 17.3378 17.5363 17.5363 17.7002 17.7002 18.0363 18.0363 18.3860 18.3860 18.7255 18.7255 18.8195 18.8195 19.0738 19.0738 19.6192 19.6192 20.1213 20.1213 21.8934 21.8934 22.1028 22.1028 22.6557 22.6557 22.7422 22.7422 22.7998 22.7998 24.1220 24.1220 25.5937 25.5937 k = 0.5000 0.5000 0.2564 ( 3060 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7006 -41.7006 -28.5348 -28.5348 -28.4999 -28.4999 -28.4948 -28.4948 -24.8554 -24.8554 -24.7147 -24.7147 -24.6892 -24.6892 -24.5678 -24.5678 -24.3993 -24.3993 -24.3749 -24.3749 -15.9977 -15.9977 -8.2816 -8.2816 -8.2709 -8.2709 12.5775 12.5775 13.4483 13.4483 13.5183 13.5183 14.9307 14.9307 15.6085 15.6085 16.9537 16.9537 16.9586 16.9586 17.3119 17.3119 17.5339 17.5339 17.6942 17.6942 18.0087 18.0087 18.4226 18.4226 18.8213 18.8213 18.9094 18.9094 19.0605 19.0605 19.7049 19.7049 20.1698 20.1698 21.8743 21.8743 22.0868 22.0868 22.6574 22.6574 22.7253 22.7253 22.7686 22.7686 24.1788 24.1788 25.5745 25.5745 k = 0.5000 0.5000 0.2692 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7006 -41.7006 -28.5355 -28.5355 -28.4995 -28.4995 -28.4949 -28.4949 -24.8574 -24.8574 -24.7127 -24.7127 -24.6895 -24.6895 -24.5706 -24.5706 -24.3964 -24.3964 -24.3745 -24.3745 -15.9973 -15.9973 -8.2808 -8.2808 -8.2710 -8.2710 12.6138 12.6138 13.4179 13.4179 13.4860 13.4860 14.8944 14.8944 15.5684 15.5684 16.9498 16.9498 16.9499 16.9499 17.2843 17.2843 17.5328 17.5328 17.6882 17.6882 17.9814 17.9814 18.4579 18.4579 18.9186 18.9186 18.9663 18.9663 19.0824 19.0824 19.7939 19.7939 20.2169 20.2169 21.8530 21.8530 22.0691 22.0691 22.6575 22.6575 22.6993 22.6993 22.7493 22.7493 24.2355 24.2355 25.5517 25.5517 k = 0.5000 0.5000 0.2821 ( 3044 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7005 -41.7005 -28.5362 -28.5362 -28.4991 -28.4991 -28.4950 -28.4950 -24.8593 -24.8593 -24.7107 -24.7107 -24.6898 -24.6898 -24.5733 -24.5733 -24.3936 -24.3936 -24.3740 -24.3740 -15.9970 -15.9970 -8.2800 -8.2800 -8.2710 -8.2710 12.6510 12.6510 13.3885 13.3885 13.4547 13.4547 14.8579 14.8579 15.5303 15.5303 16.9406 16.9406 16.9461 16.9461 17.2550 17.2550 17.5329 17.5329 17.6824 17.6824 17.9552 17.9552 18.4915 18.4915 18.9682 18.9682 19.0173 19.0173 19.1611 19.1611 19.8855 19.8855 20.2624 20.2624 21.8291 21.8291 22.0493 22.0493 22.6561 22.6561 22.6719 22.6719 22.7341 22.7341 24.2917 24.2917 25.5253 25.5253 k = 0.5000 0.5000 0.2949 ( 3044 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7005 -41.7005 -28.5368 -28.5368 -28.4988 -28.4988 -28.4951 -28.4951 -24.8611 -24.8611 -24.7088 -24.7088 -24.6902 -24.6902 -24.5758 -24.5758 -24.3909 -24.3909 -24.3735 -24.3735 -15.9967 -15.9967 -8.2793 -8.2793 -8.2711 -8.2711 12.6889 12.6889 13.3599 13.3599 13.4244 13.4244 14.8213 14.8213 15.4941 15.4941 16.9311 16.9311 16.9421 16.9421 17.2244 17.2244 17.5342 17.5342 17.6766 17.6766 17.9306 17.9306 18.5231 18.5231 18.9523 18.9523 19.1171 19.1171 19.2595 19.2595 19.9790 19.9790 20.3062 20.3062 21.8024 21.8024 22.0270 22.0270 22.6471 22.6471 22.6532 22.6532 22.7189 22.7189 24.3471 24.3471 25.4948 25.4948 k = 0.5000 0.5000 0.3077 ( 3044 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7005 -41.7005 -28.5375 -28.5375 -28.4985 -28.4985 -28.4952 -28.4952 -24.8629 -24.8629 -24.7070 -24.7070 -24.6905 -24.6905 -24.5783 -24.5783 -24.3884 -24.3884 -24.3731 -24.3731 -15.9963 -15.9963 -8.2785 -8.2785 -8.2712 -8.2712 12.7272 12.7272 13.3325 13.3325 13.3955 13.3955 14.7848 14.7848 15.4598 15.4598 16.9212 16.9212 16.9380 16.9380 17.1930 17.1930 17.5365 17.5365 17.6708 17.6708 17.9081 17.9081 18.5526 18.5526 18.9331 18.9331 19.2178 19.2178 19.3629 19.3629 20.0734 20.0734 20.3485 20.3485 21.7726 21.7726 22.0018 22.0018 22.6259 22.6259 22.6490 22.6490 22.7028 22.7028 24.4013 24.4013 25.4603 25.4603 k = 0.5000 0.5000 0.3205 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7004 -41.7004 -28.5381 -28.5381 -28.4982 -28.4982 -28.4954 -28.4954 -24.8646 -24.8646 -24.7054 -24.7054 -24.6908 -24.6908 -24.5806 -24.5806 -24.3860 -24.3860 -24.3727 -24.3727 -15.9960 -15.9960 -8.2778 -8.2778 -8.2714 -8.2714 12.7658 12.7658 13.3064 13.3064 13.3679 13.3679 14.7484 14.7484 15.4276 15.4276 16.9112 16.9112 16.9338 16.9338 17.1612 17.1612 17.5396 17.5396 17.6648 17.6648 17.8877 17.8877 18.5799 18.5799 18.9134 18.9134 19.3192 19.3192 19.4683 19.4683 20.1677 20.1677 20.3892 20.3892 21.7397 21.7397 21.9733 21.9733 22.6080 22.6080 22.6439 22.6439 22.6859 22.6859 24.4539 24.4539 25.4218 25.4218 k = 0.5000 0.5000 0.3333 ( 3052 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8609 -57.8609 -41.7004 -41.7004 -28.5387 -28.5387 -28.4979 -28.4979 -28.4955 -28.4955 -24.8661 -24.8661 -24.7038 -24.7038 -24.6911 -24.6911 -24.5827 -24.5827 -24.3838 -24.3838 -24.3722 -24.3722 -15.9957 -15.9957 -8.2771 -8.2771 -8.2714 -8.2714 12.8045 12.8045 13.2816 13.2816 13.3418 13.3418 14.7124 14.7124 15.3974 15.3974 16.9011 16.9011 16.9296 16.9296 17.1295 17.1295 17.5434 17.5434 17.6587 17.6587 17.8697 17.8697 18.6053 18.6053 18.8941 18.8941 19.4210 19.4210 19.5747 19.5747 20.2605 20.2605 20.4290 20.4290 21.7034 21.7034 21.9410 21.9410 22.5935 22.5935 22.6379 22.6379 22.6686 22.6686 24.5047 24.5047 25.3793 25.3793 k = 0.5000 0.5000 0.3462 ( 3060 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7004 -41.7004 -28.5392 -28.5392 -28.4976 -28.4976 -28.4956 -28.4956 -24.8676 -24.8676 -24.7023 -24.7023 -24.6914 -24.6914 -24.5847 -24.5847 -24.3817 -24.3817 -24.3719 -24.3719 -15.9954 -15.9954 -8.2764 -8.2764 -8.2716 -8.2716 12.8428 12.8428 13.2582 13.2582 13.3173 13.3173 14.6769 14.6769 15.3694 15.3694 16.8910 16.8910 16.9252 16.9252 17.0982 17.0982 17.5478 17.5478 17.6522 17.6522 17.8542 17.8542 18.6287 18.6287 18.8756 18.8756 19.5231 19.5231 19.6816 19.6816 20.3493 20.3493 20.4692 20.4692 21.6638 21.6638 21.9046 21.9046 22.5818 22.5818 22.6314 22.6314 22.6513 22.6513 24.5532 24.5532 25.3333 25.3333 k = 0.5000 0.5000 0.3590 ( 3056 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7003 -41.7003 -28.5397 -28.5397 -28.4974 -28.4974 -28.4956 -28.4956 -24.8689 -24.8689 -24.7009 -24.7009 -24.6917 -24.6917 -24.5866 -24.5866 -24.3798 -24.3798 -24.3715 -24.3715 -15.9952 -15.9952 -8.2758 -8.2758 -8.2716 -8.2716 12.8806 12.8806 13.2365 13.2365 13.2947 13.2947 14.6423 14.6423 15.3436 15.3436 16.8810 16.8810 16.9209 16.9209 17.0678 17.0678 17.5525 17.5525 17.6454 17.6454 17.8413 17.8413 18.6501 18.6501 18.8583 18.8583 19.6252 19.6252 19.7884 19.7884 20.4281 20.4281 20.5145 20.5145 21.6211 21.6211 21.8638 21.8638 22.5724 22.5724 22.6246 22.6246 22.6348 22.6348 24.5993 24.5993 25.2842 25.2842 k = 0.5000 0.5000 0.3718 ( 3056 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7003 -41.7003 -28.5402 -28.5402 -28.4972 -28.4972 -28.4957 -28.4957 -24.8702 -24.8702 -24.6996 -24.6996 -24.6920 -24.6920 -24.5883 -24.5883 -24.3780 -24.3780 -24.3711 -24.3711 -15.9949 -15.9949 -8.2752 -8.2752 -8.2717 -8.2717 12.9174 12.9174 13.2163 13.2163 13.2739 13.2739 14.6086 14.6086 15.3199 15.3199 16.8711 16.8711 16.9166 16.9166 17.0388 17.0388 17.5575 17.5575 17.6383 17.6383 17.8308 17.8308 18.6697 18.6697 18.8421 18.8421 19.7271 19.7271 19.8947 19.8947 20.4869 20.4869 20.5736 20.5736 21.5756 21.5756 21.8184 21.8184 22.5647 22.5647 22.6177 22.6177 22.6196 22.6196 24.6424 24.6424 25.2329 25.2329 k = 0.5000 0.5000 0.3846 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7003 -41.7003 -28.5406 -28.5406 -28.4970 -28.4970 -28.4958 -28.4958 -24.8713 -24.8713 -24.6985 -24.6985 -24.6922 -24.6922 -24.5898 -24.5898 -24.3763 -24.3763 -24.3708 -24.3708 -15.9947 -15.9947 -8.2746 -8.2746 -8.2718 -8.2718 12.9528 12.9528 13.1979 13.1979 13.2550 13.2550 14.5762 14.5762 15.2984 15.2984 16.8615 16.8615 16.9124 16.9124 17.0115 17.0115 17.5625 17.5625 17.6310 17.6310 17.8226 17.8226 18.6873 18.6873 18.8273 18.8273 19.8284 19.8284 20.0000 20.0000 20.5264 20.5264 20.6440 20.6440 21.5279 21.5279 21.7684 21.7684 22.5580 22.5580 22.6064 22.6064 22.6110 22.6110 24.6825 24.6825 25.1801 25.1801 k = 0.5000 0.5000 0.3974 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5410 -28.5410 -28.4968 -28.4968 -28.4959 -28.4959 -24.8723 -24.8723 -24.6974 -24.6974 -24.6925 -24.6925 -24.5912 -24.5912 -24.3749 -24.3749 -24.3705 -24.3705 -15.9945 -15.9945 -8.2741 -8.2741 -8.2719 -8.2719 12.9862 12.9862 13.1812 13.1812 13.2383 13.2383 14.5454 14.5454 15.2791 15.2791 16.8522 16.8522 16.9085 16.9085 16.9864 16.9864 17.5674 17.5674 17.6237 17.6237 17.8163 17.8163 18.7030 18.7030 18.8139 18.8139 19.9289 19.9289 20.1040 20.1040 20.5564 20.5564 20.7139 20.7139 21.4792 21.4792 21.7141 21.7141 22.5517 22.5517 22.5958 22.5958 22.6046 22.6046 24.7191 24.7191 25.1272 25.1272 k = 0.5000 0.5000 0.4103 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5414 -28.5414 -28.4967 -28.4967 -28.4960 -28.4960 -24.8733 -24.8733 -24.6965 -24.6965 -24.6927 -24.6927 -24.5924 -24.5924 -24.3736 -24.3736 -24.3702 -24.3702 -15.9943 -15.9943 -8.2737 -8.2737 -8.2719 -8.2719 13.0171 13.0171 13.1664 13.1664 13.2238 13.2238 14.5167 14.5167 15.2621 15.2621 16.8433 16.8433 16.9048 16.9048 16.9640 16.9640 17.5720 17.5720 17.6167 17.6167 17.8116 17.8116 18.7168 18.7168 18.8019 18.8019 20.0283 20.0283 20.2060 20.2060 20.5811 20.5811 20.7762 20.7762 21.4311 21.4311 21.6558 21.6558 22.5454 22.5454 22.5880 22.5880 22.5986 22.5986 24.7521 24.7521 25.0753 25.0753 k = 0.5000 0.5000 0.4231 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5417 -28.5417 -28.4965 -28.4965 -28.4960 -28.4960 -24.8740 -24.8740 -24.6957 -24.6957 -24.6929 -24.6929 -24.5935 -24.5935 -24.3724 -24.3724 -24.3700 -24.3700 -15.9941 -15.9941 -8.2733 -8.2733 -8.2720 -8.2720 13.0449 13.0449 13.1535 13.1535 13.2118 13.2118 14.4904 14.4904 15.2473 15.2473 16.8349 16.8349 16.9015 16.9015 16.9444 16.9444 17.5763 17.5763 17.6100 17.6100 17.8082 17.8082 18.7288 18.7288 18.7914 18.7914 20.1261 20.1261 20.3051 20.3051 20.6021 20.6021 20.8258 20.8258 21.3865 21.3865 21.5945 21.5945 22.5390 22.5390 22.5829 22.5829 22.5932 22.5932 24.7812 24.7812 25.0260 25.0260 k = 0.5000 0.5000 0.4359 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5419 -28.5419 -28.4964 -28.4964 -28.4961 -28.4961 -24.8747 -24.8747 -24.6950 -24.6950 -24.6930 -24.6930 -24.5944 -24.5944 -24.3715 -24.3715 -24.3698 -24.3698 -15.9940 -15.9940 -8.2729 -8.2729 -8.2720 -8.2720 13.0688 13.0688 13.1424 13.1424 13.2025 13.2025 14.4670 14.4670 15.2347 15.2347 16.8271 16.8271 16.8985 16.8985 16.9278 16.9278 17.5801 17.5801 17.6041 17.6041 17.8059 17.8059 18.7390 18.7390 18.7825 18.7825 20.2218 20.2218 20.4000 20.4000 20.6198 20.6198 20.8576 20.8576 21.3491 21.3491 21.5313 21.5313 22.5328 22.5328 22.5799 22.5799 22.5885 22.5885 24.8061 24.8061 24.9808 24.9808 k = 0.5000 0.5000 0.4487 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5421 -28.5421 -28.4963 -28.4963 -28.4961 -28.4961 -24.8753 -24.8753 -24.6944 -24.6944 -24.6932 -24.6932 -24.5951 -24.5951 -24.3707 -24.3707 -24.3696 -24.3696 -15.9938 -15.9938 -8.2726 -8.2726 -8.2720 -8.2720 13.0880 13.0880 13.1334 13.1334 13.1962 13.1962 14.4469 14.4469 15.2244 15.2244 16.8202 16.8202 16.8960 16.8960 16.9145 16.9145 17.5833 17.5833 17.5990 17.5990 17.8044 17.8044 18.7473 18.7473 18.7752 18.7752 20.3144 20.3144 20.4889 20.4889 20.6347 20.6347 20.8666 20.8666 21.3228 21.3228 21.4681 21.4681 22.5274 22.5274 22.5783 22.5783 22.5845 22.5845 24.8268 24.8268 24.9411 24.9411 k = 0.5000 0.5000 0.4615 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5423 -28.5423 -28.4963 -28.4963 -28.4961 -28.4961 -24.8757 -24.8757 -24.6940 -24.6940 -24.6933 -24.6933 -24.5957 -24.5957 -24.3701 -24.3701 -24.3695 -24.3695 -15.9937 -15.9937 -8.2724 -8.2724 -8.2721 -8.2721 13.1021 13.1021 13.1263 13.1263 13.1928 13.1928 14.4307 14.4307 15.2164 15.2164 16.8143 16.8143 16.8940 16.8940 16.9042 16.9042 17.5859 17.5859 17.5948 17.5948 17.8034 17.8034 18.7538 18.7538 18.7695 18.7695 20.4027 20.4027 20.5689 20.5689 20.6473 20.6473 20.8514 20.8514 21.3091 21.3091 21.4081 21.4081 22.5229 22.5229 22.5775 22.5775 22.5813 22.5813 24.8431 24.8431 24.9085 24.9085 k = 0.5000 0.5000 0.4744 ( 3064 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7002 -41.7002 -28.5424 -28.5424 -28.4962 -28.4962 -28.4962 -28.4962 -24.8760 -24.8760 -24.6937 -24.6937 -24.6934 -24.6934 -24.5961 -24.5961 -24.3696 -24.3696 -24.3694 -24.3694 -15.9937 -15.9937 -8.2722 -8.2722 -8.2721 -8.2721 13.1111 13.1111 13.1212 13.1212 13.1918 13.1918 14.4188 14.4188 15.2107 15.2107 16.8099 16.8099 16.8926 16.8926 16.8971 16.8971 17.5878 17.5878 17.5918 17.5918 17.8028 17.8028 18.7584 18.7584 18.7654 18.7654 20.4832 20.4832 20.6351 20.6351 20.6590 20.6590 20.8154 20.8154 21.3049 21.3049 21.3561 21.3561 22.5197 22.5197 22.5772 22.5772 22.5790 22.5790 24.8548 24.8548 24.8842 24.8842 k = 0.5000 0.5000 0.4872 ( 3072 PWs) bands (ev): -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -57.8610 -41.7001 -41.7001 -28.5425 -28.5425 -28.4962 -28.4962 -28.4962 -28.4962 -24.8762 -24.8762 -24.6935 -24.6935 -24.6934 -24.6934 -24.5963 -24.5963 -24.3694 -24.3694 -24.3693 -24.3693 -15.9936 -15.9936 -8.2722 -8.2722 -8.2721 -8.2721 13.1157 13.1157 13.1182 13.1182 13.1920 13.1920 14.4115 14.4115 15.2073 15.2073 16.8071 16.8071 16.8917 16.8917 16.8928 16.8928 17.5889 17.5889 17.5899 17.5899 17.8025 17.8025 18.7611 18.7611 18.7629 18.7629 20.5471 20.5471 20.6750 20.6750 20.6803 20.6803 20.7668 20.7668 21.3051 21.3051 21.3193 21.3193 22.5177 22.5177 22.5771 22.5771 22.5776 22.5776 24.8618 24.8618 24.8692 24.8692 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -57.8611 -41.7001 -41.7001 -28.5426 -28.5426 -28.4962 -28.4962 -28.4962 -28.4962 -24.8763 -24.8763 -24.6935 -24.6935 -24.6935 -24.6935 -24.5964 -24.5964 -24.3693 -24.3693 -24.3693 -24.3693 -15.9937 -15.9937 -8.2722 -8.2722 -8.2722 -8.2722 13.1171 13.1171 13.1171 13.1171 13.1922 13.1922 14.4090 14.4090 15.2059 15.2059 16.8059 16.8059 16.8912 16.8912 16.8912 16.8912 17.5892 17.5892 17.5892 17.5892 17.8023 17.8023 18.7618 18.7618 18.7618 18.7618 20.5730 20.5730 20.6963 20.6963 20.6963 20.6963 20.7289 20.7289 21.3056 21.3056 21.3056 21.3056 22.5169 22.5169 22.5770 22.5770 22.5770 22.5770 24.8641 24.8641 24.8641 24.8641 Writing output data file HfBRh3.save init_run : 0.26s CPU 0.39s WALL ( 1 calls) electrons : 134.32s CPU 136.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 134.31s CPU 136.63s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 303 calls) cegterg : 123.94s CPU 125.78s WALL ( 303 calls) Called by sum_band: Called by *egterg: h_psi : 55.00s CPU 56.32s WALL ( 4403 calls) s_psi : 5.84s CPU 5.67s WALL ( 4403 calls) g_psi : 0.23s CPU 0.19s WALL ( 3797 calls) cdiaghg : 55.06s CPU 55.57s WALL ( 4100 calls) cegterg:over : 6.58s CPU 6.75s WALL ( 3797 calls) cegterg:upda : 4.28s CPU 4.49s WALL ( 3797 calls) cegterg:last : 3.29s CPU 3.32s WALL ( 909 calls) cdiaghg:chol : 3.32s CPU 3.25s WALL ( 4100 calls) cdiaghg:inve : 2.25s CPU 2.31s WALL ( 4100 calls) cdiaghg:para : 3.89s CPU 4.00s WALL ( 8200 calls) Called by h_psi: h_psi:vloc : 42.58s CPU 43.77s WALL ( 4403 calls) h_psi:vnl : 12.22s CPU 12.36s WALL ( 4403 calls) add_vuspsi : 6.66s CPU 6.78s WALL ( 4403 calls) General routines calbec : 5.54s CPU 5.57s WALL ( 4403 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 39.42s CPU 40.43s WALL ( 905328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 606 calls) Parallel routines fft_scatter : 19.99s CPU 20.46s WALL ( 905351 calls) PWSCF : 2m33.12s CPU 2m46.10s WALL This run was terminated on: 14:26:31 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=