Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:32 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: ./Fe3RhN.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 41 25 7 1228 571 93 Max 43 26 8 1234 590 96 Sum 1513 917 277 44299 20815 3431 bravais-lattice index = 14 lattice parameter (alat) = 7.2361 a.u. unit-cell volume = 378.8966 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 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)= 7.236139 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Rh 17.00 102.90550 Rh( 1.00) N 5.00 14.00670 N( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389830), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050847), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949152), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389831), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050848), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949153), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 Dense grid: 44299 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20815 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 166, 56) NL pseudopotentials 0.19 Mb ( 83, 150) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1229) G-vector shells 0.00 Mb ( 301) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 166, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.26 Mb ( 150, 2, 56) The potential is recalculated from file : ./Fe3RhN.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.0 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.7 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.7 secs Computing kpt #: 22 total cpu time spent up to now is 9.0 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 9.9 secs Computing kpt #: 26 total cpu time spent up to now is 10.2 secs Computing kpt #: 27 total cpu time spent up to now is 10.5 secs Computing kpt #: 28 total cpu time spent up to now is 10.8 secs Computing kpt #: 29 total cpu time spent up to now is 11.1 secs Computing kpt #: 30 total cpu time spent up to now is 11.4 secs Computing kpt #: 31 total cpu time spent up to now is 11.7 secs Computing kpt #: 32 total cpu time spent up to now is 12.0 secs Computing kpt #: 33 total cpu time spent up to now is 12.2 secs Computing kpt #: 34 total cpu time spent up to now is 12.5 secs Computing kpt #: 35 total cpu time spent up to now is 12.8 secs Computing kpt #: 36 total cpu time spent up to now is 13.1 secs Computing kpt #: 37 total cpu time spent up to now is 13.4 secs Computing kpt #: 38 total cpu time spent up to now is 13.7 secs Computing kpt #: 39 total cpu time spent up to now is 13.9 secs Computing kpt #: 40 total cpu time spent up to now is 14.2 secs Computing kpt #: 41 total cpu time spent up to now is 14.4 secs Computing kpt #: 42 total cpu time spent up to now is 14.7 secs Computing kpt #: 43 total cpu time spent up to now is 15.0 secs Computing kpt #: 44 total cpu time spent up to now is 15.3 secs Computing kpt #: 45 total cpu time spent up to now is 15.5 secs Computing kpt #: 46 total cpu time spent up to now is 15.8 secs Computing kpt #: 47 total cpu time spent up to now is 16.1 secs Computing kpt #: 48 total cpu time spent up to now is 16.3 secs Computing kpt #: 49 total cpu time spent up to now is 16.6 secs Computing kpt #: 50 total cpu time spent up to now is 16.9 secs Computing kpt #: 51 total cpu time spent up to now is 17.1 secs Computing kpt #: 52 total cpu time spent up to now is 17.4 secs Computing kpt #: 53 total cpu time spent up to now is 17.7 secs Computing kpt #: 54 total cpu time spent up to now is 18.0 secs Computing kpt #: 55 total cpu time spent up to now is 18.3 secs Computing kpt #: 56 total cpu time spent up to now is 18.6 secs Computing kpt #: 57 total cpu time spent up to now is 18.9 secs Computing kpt #: 58 total cpu time spent up to now is 19.2 secs Computing kpt #: 59 total cpu time spent up to now is 19.5 secs Computing kpt #: 60 total cpu time spent up to now is 19.8 secs Computing kpt #: 61 total cpu time spent up to now is 20.1 secs Computing kpt #: 62 total cpu time spent up to now is 20.4 secs Computing kpt #: 63 total cpu time spent up to now is 20.7 secs Computing kpt #: 64 total cpu time spent up to now is 21.0 secs Computing kpt #: 65 total cpu time spent up to now is 21.3 secs Computing kpt #: 66 total cpu time spent up to now is 21.6 secs Computing kpt #: 67 total cpu time spent up to now is 21.9 secs Computing kpt #: 68 total cpu time spent up to now is 22.2 secs Computing kpt #: 69 total cpu time spent up to now is 22.5 secs Computing kpt #: 70 total cpu time spent up to now is 22.8 secs Computing kpt #: 71 total cpu time spent up to now is 23.1 secs Computing kpt #: 72 total cpu time spent up to now is 23.4 secs Computing kpt #: 73 total cpu time spent up to now is 23.7 secs Computing kpt #: 74 total cpu time spent up to now is 24.0 secs Computing kpt #: 75 total cpu time spent up to now is 24.3 secs Computing kpt #: 76 total cpu time spent up to now is 24.6 secs Computing kpt #: 77 total cpu time spent up to now is 24.9 secs Computing kpt #: 78 total cpu time spent up to now is 25.2 secs Computing kpt #: 79 total cpu time spent up to now is 25.5 secs Computing kpt #: 80 total cpu time spent up to now is 25.8 secs Computing kpt #: 81 total cpu time spent up to now is 26.1 secs Computing kpt #: 82 total cpu time spent up to now is 26.4 secs Computing kpt #: 83 total cpu time spent up to now is 26.7 secs Computing kpt #: 84 total cpu time spent up to now is 27.0 secs Computing kpt #: 85 total cpu time spent up to now is 27.3 secs Computing kpt #: 86 total cpu time spent up to now is 27.6 secs Computing kpt #: 87 total cpu time spent up to now is 27.9 secs Computing kpt #: 88 total cpu time spent up to now is 28.2 secs Computing kpt #: 89 total cpu time spent up to now is 28.5 secs Computing kpt #: 90 total cpu time spent up to now is 28.8 secs Computing kpt #: 91 total cpu time spent up to now is 29.1 secs Computing kpt #: 92 total cpu time spent up to now is 29.4 secs Computing kpt #: 93 total cpu time spent up to now is 29.7 secs Computing kpt #: 94 total cpu time spent up to now is 30.0 secs Computing kpt #: 95 total cpu time spent up to now is 30.3 secs Computing kpt #: 96 total cpu time spent up to now is 30.6 secs Computing kpt #: 97 total cpu time spent up to now is 30.9 secs Computing kpt #: 98 total cpu time spent up to now is 31.2 secs Computing kpt #: 99 total cpu time spent up to now is 31.5 secs Computing kpt #: 100 total cpu time spent up to now is 31.8 secs Computing kpt #: 101 total cpu time spent up to now is 32.1 secs Computing kpt #: 102 total cpu time spent up to now is 32.4 secs Computing kpt #: 103 total cpu time spent up to now is 32.7 secs Computing kpt #: 104 total cpu time spent up to now is 33.0 secs Computing kpt #: 105 total cpu time spent up to now is 33.3 secs Computing kpt #: 106 total cpu time spent up to now is 33.6 secs Computing kpt #: 107 total cpu time spent up to now is 33.9 secs Computing kpt #: 108 total cpu time spent up to now is 34.2 secs Computing kpt #: 109 total cpu time spent up to now is 34.5 secs Computing kpt #: 110 total cpu time spent up to now is 34.8 secs Computing kpt #: 111 total cpu time spent up to now is 35.1 secs Computing kpt #: 112 total cpu time spent up to now is 35.4 secs Computing kpt #: 113 total cpu time spent up to now is 35.7 secs Computing kpt #: 114 total cpu time spent up to now is 36.0 secs Computing kpt #: 115 total cpu time spent up to now is 36.3 secs Computing kpt #: 116 total cpu time spent up to now is 36.9 secs Computing kpt #: 117 total cpu time spent up to now is 37.2 secs Computing kpt #: 118 total cpu time spent up to now is 37.5 secs Computing kpt #: 119 total cpu time spent up to now is 37.8 secs Computing kpt #: 120 total cpu time spent up to now is 38.1 secs Computing kpt #: 121 total cpu time spent up to now is 38.3 secs Computing kpt #: 122 total cpu time spent up to now is 38.6 secs Computing kpt #: 123 total cpu time spent up to now is 38.9 secs Computing kpt #: 124 total cpu time spent up to now is 39.2 secs Computing kpt #: 125 total cpu time spent up to now is 39.5 secs Computing kpt #: 126 total cpu time spent up to now is 39.8 secs Computing kpt #: 127 total cpu time spent up to now is 40.1 secs Computing kpt #: 128 total cpu time spent up to now is 40.3 secs Computing kpt #: 129 total cpu time spent up to now is 40.6 secs Computing kpt #: 130 total cpu time spent up to now is 40.9 secs Computing kpt #: 131 total cpu time spent up to now is 41.2 secs Computing kpt #: 132 total cpu time spent up to now is 41.5 secs Computing kpt #: 133 total cpu time spent up to now is 41.8 secs Computing kpt #: 134 total cpu time spent up to now is 42.1 secs Computing kpt #: 135 total cpu time spent up to now is 42.4 secs Computing kpt #: 136 total cpu time spent up to now is 42.7 secs Computing kpt #: 137 total cpu time spent up to now is 43.0 secs Computing kpt #: 138 total cpu time spent up to now is 43.3 secs Computing kpt #: 139 total cpu time spent up to now is 43.6 secs Computing kpt #: 140 total cpu time spent up to now is 43.9 secs Computing kpt #: 141 total cpu time spent up to now is 44.2 secs Computing kpt #: 142 total cpu time spent up to now is 44.6 secs Computing kpt #: 143 total cpu time spent up to now is 44.9 secs Computing kpt #: 144 total cpu time spent up to now is 45.2 secs Computing kpt #: 145 total cpu time spent up to now is 45.5 secs Computing kpt #: 146 total cpu time spent up to now is 45.8 secs Computing kpt #: 147 total cpu time spent up to now is 46.1 secs Computing kpt #: 148 total cpu time spent up to now is 46.4 secs Computing kpt #: 149 total cpu time spent up to now is 46.7 secs Computing kpt #: 150 total cpu time spent up to now is 47.0 secs Computing kpt #: 151 total cpu time spent up to now is 47.3 secs Computing kpt #: 152 total cpu time spent up to now is 47.6 secs Computing kpt #: 153 total cpu time spent up to now is 48.0 secs Computing kpt #: 154 total cpu time spent up to now is 48.3 secs Computing kpt #: 155 total cpu time spent up to now is 48.6 secs Computing kpt #: 156 total cpu time spent up to now is 48.9 secs Computing kpt #: 157 total cpu time spent up to now is 49.2 secs Computing kpt #: 158 total cpu time spent up to now is 49.5 secs Computing kpt #: 159 total cpu time spent up to now is 49.8 secs Computing kpt #: 160 total cpu time spent up to now is 50.1 secs Computing kpt #: 161 total cpu time spent up to now is 50.4 secs Computing kpt #: 162 total cpu time spent up to now is 50.7 secs Computing kpt #: 163 total cpu time spent up to now is 50.9 secs Computing kpt #: 164 total cpu time spent up to now is 51.2 secs Computing kpt #: 165 total cpu time spent up to now is 51.6 secs Computing kpt #: 166 total cpu time spent up to now is 51.8 secs Computing kpt #: 167 total cpu time spent up to now is 52.1 secs Computing kpt #: 168 total cpu time spent up to now is 52.4 secs Computing kpt #: 169 total cpu time spent up to now is 52.7 secs Computing kpt #: 170 total cpu time spent up to now is 52.9 secs Computing kpt #: 171 total cpu time spent up to now is 53.2 secs Computing kpt #: 172 total cpu time spent up to now is 53.5 secs Computing kpt #: 173 total cpu time spent up to now is 53.8 secs Computing kpt #: 174 total cpu time spent up to now is 54.1 secs Computing kpt #: 175 total cpu time spent up to now is 54.4 secs Computing kpt #: 176 total cpu time spent up to now is 54.6 secs Computing kpt #: 177 total cpu time spent up to now is 54.9 secs Computing kpt #: 178 total cpu time spent up to now is 55.2 secs Computing kpt #: 179 total cpu time spent up to now is 55.5 secs Computing kpt #: 180 total cpu time spent up to now is 55.8 secs Computing kpt #: 181 total cpu time spent up to now is 56.0 secs Computing kpt #: 182 total cpu time spent up to now is 56.3 secs Computing kpt #: 183 total cpu time spent up to now is 56.6 secs Computing kpt #: 184 total cpu time spent up to now is 57.0 secs Computing kpt #: 185 total cpu time spent up to now is 57.3 secs Computing kpt #: 186 total cpu time spent up to now is 57.6 secs Computing kpt #: 187 total cpu time spent up to now is 57.9 secs Computing kpt #: 188 total cpu time spent up to now is 58.2 secs Computing kpt #: 189 total cpu time spent up to now is 58.5 secs Computing kpt #: 190 total cpu time spent up to now is 58.8 secs Computing kpt #: 191 total cpu time spent up to now is 59.2 secs Computing kpt #: 192 total cpu time spent up to now is 59.5 secs Computing kpt #: 193 total cpu time spent up to now is 59.9 secs Computing kpt #: 194 total cpu time spent up to now is 60.2 secs Computing kpt #: 195 total cpu time spent up to now is 60.6 secs Computing kpt #: 196 total cpu time spent up to now is 61.0 secs Computing kpt #: 197 total cpu time spent up to now is 61.4 secs Computing kpt #: 198 total cpu time spent up to now is 61.7 secs Computing kpt #: 199 total cpu time spent up to now is 62.1 secs Computing kpt #: 200 total cpu time spent up to now is 62.4 secs Computing kpt #: 201 total cpu time spent up to now is 62.8 secs Computing kpt #: 202 total cpu time spent up to now is 63.1 secs Computing kpt #: 203 total cpu time spent up to now is 63.5 secs Computing kpt #: 204 total cpu time spent up to now is 63.9 secs Computing kpt #: 205 total cpu time spent up to now is 64.3 secs Computing kpt #: 206 total cpu time spent up to now is 64.7 secs Computing kpt #: 207 total cpu time spent up to now is 65.0 secs Computing kpt #: 208 total cpu time spent up to now is 65.4 secs Computing kpt #: 209 total cpu time spent up to now is 65.7 secs Computing kpt #: 210 total cpu time spent up to now is 66.1 secs Computing kpt #: 211 total cpu time spent up to now is 66.4 secs Computing kpt #: 212 total cpu time spent up to now is 66.7 secs Computing kpt #: 213 total cpu time spent up to now is 67.1 secs Computing kpt #: 214 total cpu time spent up to now is 67.4 secs Computing kpt #: 215 total cpu time spent up to now is 67.7 secs Computing kpt #: 216 total cpu time spent up to now is 67.9 secs Computing kpt #: 217 total cpu time spent up to now is 68.2 secs Computing kpt #: 218 total cpu time spent up to now is 68.5 secs Computing kpt #: 219 total cpu time spent up to now is 68.7 secs Computing kpt #: 220 total cpu time spent up to now is 69.0 secs Computing kpt #: 221 total cpu time spent up to now is 69.2 secs Computing kpt #: 222 total cpu time spent up to now is 69.5 secs Computing kpt #: 223 total cpu time spent up to now is 69.8 secs Computing kpt #: 224 total cpu time spent up to now is 70.0 secs Computing kpt #: 225 total cpu time spent up to now is 70.3 secs Computing kpt #: 226 total cpu time spent up to now is 70.7 secs Computing kpt #: 227 total cpu time spent up to now is 71.0 secs Computing kpt #: 228 total cpu time spent up to now is 71.3 secs Computing kpt #: 229 total cpu time spent up to now is 71.7 secs Computing kpt #: 230 total cpu time spent up to now is 72.1 secs Computing kpt #: 231 total cpu time spent up to now is 72.4 secs Computing kpt #: 232 total cpu time spent up to now is 72.8 secs Computing kpt #: 233 total cpu time spent up to now is 73.2 secs Computing kpt #: 234 total cpu time spent up to now is 73.5 secs Computing kpt #: 235 total cpu time spent up to now is 73.9 secs Computing kpt #: 236 total cpu time spent up to now is 74.3 secs Computing kpt #: 237 total cpu time spent up to now is 74.7 secs Computing kpt #: 238 total cpu time spent up to now is 75.0 secs Computing kpt #: 239 total cpu time spent up to now is 75.4 secs Computing kpt #: 240 total cpu time spent up to now is 75.8 secs Computing kpt #: 241 total cpu time spent up to now is 76.2 secs Computing kpt #: 242 total cpu time spent up to now is 76.5 secs Computing kpt #: 243 total cpu time spent up to now is 76.9 secs Computing kpt #: 244 total cpu time spent up to now is 77.2 secs Computing kpt #: 245 total cpu time spent up to now is 77.6 secs Computing kpt #: 246 total cpu time spent up to now is 77.9 secs Computing kpt #: 247 total cpu time spent up to now is 78.3 secs Computing kpt #: 248 total cpu time spent up to now is 78.6 secs Computing kpt #: 249 total cpu time spent up to now is 78.9 secs Computing kpt #: 250 total cpu time spent up to now is 79.3 secs Computing kpt #: 251 total cpu time spent up to now is 79.6 secs Computing kpt #: 252 total cpu time spent up to now is 79.9 secs Computing kpt #: 253 total cpu time spent up to now is 80.2 secs Computing kpt #: 254 total cpu time spent up to now is 80.5 secs Computing kpt #: 255 total cpu time spent up to now is 80.8 secs Computing kpt #: 256 total cpu time spent up to now is 81.1 secs Computing kpt #: 257 total cpu time spent up to now is 81.4 secs Computing kpt #: 258 total cpu time spent up to now is 81.8 secs Computing kpt #: 259 total cpu time spent up to now is 82.1 secs Computing kpt #: 260 total cpu time spent up to now is 82.4 secs Computing kpt #: 261 total cpu time spent up to now is 82.7 secs Computing kpt #: 262 total cpu time spent up to now is 82.9 secs Computing kpt #: 263 total cpu time spent up to now is 83.2 secs Computing kpt #: 264 total cpu time spent up to now is 83.5 secs Computing kpt #: 265 total cpu time spent up to now is 83.8 secs Computing kpt #: 266 total cpu time spent up to now is 84.1 secs Computing kpt #: 267 total cpu time spent up to now is 84.4 secs Computing kpt #: 268 total cpu time spent up to now is 84.7 secs Computing kpt #: 269 total cpu time spent up to now is 85.0 secs Computing kpt #: 270 total cpu time spent up to now is 85.3 secs Computing kpt #: 271 total cpu time spent up to now is 85.5 secs Computing kpt #: 272 total cpu time spent up to now is 85.8 secs Computing kpt #: 273 total cpu time spent up to now is 86.1 secs Computing kpt #: 274 total cpu time spent up to now is 86.4 secs Computing kpt #: 275 total cpu time spent up to now is 86.6 secs Computing kpt #: 276 total cpu time spent up to now is 86.9 secs Computing kpt #: 277 total cpu time spent up to now is 87.2 secs Computing kpt #: 278 total cpu time spent up to now is 87.4 secs Computing kpt #: 279 total cpu time spent up to now is 87.7 secs Computing kpt #: 280 total cpu time spent up to now is 88.0 secs Computing kpt #: 281 total cpu time spent up to now is 88.3 secs Computing kpt #: 282 total cpu time spent up to now is 88.6 secs Computing kpt #: 283 total cpu time spent up to now is 88.9 secs Computing kpt #: 284 total cpu time spent up to now is 89.2 secs Computing kpt #: 285 total cpu time spent up to now is 89.5 secs Computing kpt #: 286 total cpu time spent up to now is 89.8 secs Computing kpt #: 287 total cpu time spent up to now is 90.1 secs Computing kpt #: 288 total cpu time spent up to now is 90.4 secs Computing kpt #: 289 total cpu time spent up to now is 90.8 secs Computing kpt #: 290 total cpu time spent up to now is 91.1 secs Computing kpt #: 291 total cpu time spent up to now is 91.4 secs Computing kpt #: 292 total cpu time spent up to now is 91.7 secs Computing kpt #: 293 total cpu time spent up to now is 92.1 secs Computing kpt #: 294 total cpu time spent up to now is 92.4 secs Computing kpt #: 295 total cpu time spent up to now is 92.8 secs Computing kpt #: 296 total cpu time spent up to now is 93.2 secs Computing kpt #: 297 total cpu time spent up to now is 93.6 secs Computing kpt #: 298 total cpu time spent up to now is 94.0 secs Computing kpt #: 299 total cpu time spent up to now is 94.4 secs Computing kpt #: 300 total cpu time spent up to now is 94.8 secs Computing kpt #: 301 total cpu time spent up to now is 95.1 secs Computing kpt #: 302 total cpu time spent up to now is 95.5 secs Computing kpt #: 303 total cpu time spent up to now is 95.8 secs Computing kpt #: 304 total cpu time spent up to now is 96.2 secs Computing kpt #: 305 total cpu time spent up to now is 96.5 secs Computing kpt #: 306 total cpu time spent up to now is 96.9 secs Computing kpt #: 307 total cpu time spent up to now is 97.2 secs Computing kpt #: 308 total cpu time spent up to now is 97.5 secs Computing kpt #: 309 total cpu time spent up to now is 97.9 secs Computing kpt #: 310 total cpu time spent up to now is 98.2 secs Computing kpt #: 311 total cpu time spent up to now is 98.6 secs Computing kpt #: 312 total cpu time spent up to now is 98.9 secs Computing kpt #: 313 total cpu time spent up to now is 99.3 secs Computing kpt #: 314 total cpu time spent up to now is 99.6 secs Computing kpt #: 315 total cpu time spent up to now is 99.9 secs Computing kpt #: 316 total cpu time spent up to now is 100.3 secs Computing kpt #: 317 total cpu time spent up to now is 100.6 secs Computing kpt #: 318 total cpu time spent up to now is 100.9 secs Computing kpt #: 319 total cpu time spent up to now is 101.1 secs Computing kpt #: 320 total cpu time spent up to now is 101.4 secs Computing kpt #: 321 total cpu time spent up to now is 101.7 secs Computing kpt #: 322 total cpu time spent up to now is 101.9 secs ethr = 2.17E-08, avg # of iterations = 12.3 total cpu time spent up to now is 101.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5419 -2.5419 8.4615 8.4615 9.8693 9.8693 9.8693 9.8693 9.8887 9.8887 10.3111 10.3111 10.3111 10.3111 10.8700 10.8700 10.8700 10.8700 10.9190 10.9190 12.9043 12.9043 12.9043 12.9043 13.0322 13.0322 13.9408 13.9408 13.9408 13.9408 14.9883 14.9883 14.9951 14.9951 14.9951 14.9951 15.0755 15.0755 15.0755 15.0755 15.1191 15.1191 15.6213 15.6213 15.6213 15.6213 15.7383 15.7383 k = 0.0000 0.0119-0.0000 ( 2569 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5413 -2.5413 8.4619 8.4619 9.8652 9.8652 9.8670 9.8670 9.8857 9.8857 10.3119 10.3119 10.3132 10.3132 10.8713 10.8713 10.8727 10.8727 10.9210 10.9210 12.9040 12.9040 12.9050 12.9050 13.0323 13.0323 13.9409 13.9409 13.9423 13.9423 14.9882 14.9882 14.9948 14.9948 14.9949 14.9949 15.0751 15.0751 15.0752 15.0752 15.1184 15.1184 15.6186 15.6186 15.6204 15.6204 15.7365 15.7365 k = 0.0000 0.0238-0.0000 ( 2569 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0512 -30.0512 -30.0511 -30.0511 -2.5395 -2.5395 8.4631 8.4631 9.8527 9.8527 9.8602 9.8602 9.8773 9.8773 10.3145 10.3145 10.3196 10.3196 10.8750 10.8750 10.8810 10.8810 10.9274 10.9274 12.9030 12.9030 12.9069 12.9069 13.0329 13.0329 13.9414 13.9414 13.9467 13.9467 14.9880 14.9880 14.9939 14.9939 14.9942 14.9942 15.0742 15.0742 15.0747 15.0747 15.1165 15.1165 15.6107 15.6107 15.6177 15.6177 15.7313 15.7313 k = 0.0000 0.0357-0.0000 ( 2573 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0512 -30.0512 -30.0511 -30.0511 -2.5364 -2.5364 8.4650 8.4650 9.8318 9.8318 9.8490 9.8490 9.8647 9.8647 10.3189 10.3189 10.3294 10.3294 10.8804 10.8804 10.8945 10.8945 10.9384 10.9384 12.9011 12.9011 12.9102 12.9102 13.0339 13.0339 13.9421 13.9421 13.9538 13.9538 14.9875 14.9875 14.9923 14.9923 14.9931 14.9931 15.0726 15.0726 15.0737 15.0737 15.1134 15.1134 15.5976 15.5976 15.6127 15.6127 15.7234 15.7234 k = 0.0000 0.0476-0.0000 ( 2573 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0513 -30.0513 -30.0511 -30.0511 -2.5321 -2.5321 8.4674 8.4674 9.8034 9.8034 9.8339 9.8339 9.8485 9.8485 10.3250 10.3250 10.3422 10.3422 10.8870 10.8870 10.9130 10.9130 10.9544 10.9544 12.8983 12.8983 12.9147 12.9147 13.0356 13.0356 13.9431 13.9431 13.9633 13.9633 14.9868 14.9868 14.9902 14.9902 14.9916 14.9916 15.0704 15.0704 15.0724 15.0724 15.1092 15.1092 15.5796 15.5796 15.6045 15.6045 15.7136 15.7136 k = 0.0000 0.0595-0.0000 ( 2569 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0513 -30.0513 -30.0511 -30.0511 -2.5267 -2.5267 8.4699 8.4699 9.7691 9.7691 9.8153 9.8153 9.8291 9.8291 10.3328 10.3328 10.3572 10.3572 10.8945 10.8945 10.9359 10.9359 10.9753 10.9753 12.8942 12.8942 12.9204 12.9204 13.0381 13.0381 13.9444 13.9444 13.9748 13.9748 14.9858 14.9858 14.9873 14.9873 14.9896 14.9896 15.0675 15.0675 15.0707 15.0707 15.1039 15.1039 15.5567 15.5567 15.5922 15.5922 15.7033 15.7033 k = 0.0000 0.0714-0.0000 ( 2577 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0514 -30.0514 -30.0511 -30.0511 -2.5200 -2.5200 8.4721 8.4721 9.7302 9.7302 9.7937 9.7937 9.8068 9.8068 10.3423 10.3423 10.3736 10.3736 10.9028 10.9028 10.9628 10.9628 11.0005 11.0005 12.8886 12.8886 12.9274 12.9274 13.0417 13.0417 13.9460 13.9460 13.9876 13.9876 14.9836 14.9836 14.9843 14.9843 14.9873 14.9873 15.0637 15.0637 15.0686 15.0686 15.0978 15.0978 15.5293 15.5293 15.5744 15.5744 15.6937 15.6937 k = 0.0000 0.0833-0.0000 ( 2585 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0515 -30.0515 -30.0511 -30.0511 -2.5122 -2.5122 8.4736 8.4736 9.6883 9.6883 9.7695 9.7695 9.7821 9.7821 10.3534 10.3534 10.3914 10.3914 10.9119 10.9119 10.9931 10.9931 11.0296 11.0296 12.8815 12.8815 12.9355 12.9355 13.0466 13.0466 13.9478 13.9478 14.0012 14.0012 14.9789 14.9789 14.9817 14.9817 14.9852 14.9852 15.0591 15.0591 15.0661 15.0661 15.0911 15.0911 15.4976 15.4976 15.5508 15.5508 15.6857 15.6857 k = 0.0000 0.0952-0.0000 ( 2585 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0517 -30.0517 -30.0511 -30.0511 -2.5033 -2.5033 8.4735 8.4735 9.6450 9.6450 9.7432 9.7432 9.7554 9.7554 10.3661 10.3661 10.4103 10.4103 10.9220 10.9220 11.0264 11.0264 11.0621 11.0621 12.8725 12.8725 12.9446 12.9446 13.0528 13.0528 13.9499 13.9499 14.0150 14.0150 14.9733 14.9733 14.9778 14.9778 14.9835 14.9835 15.0537 15.0537 15.0633 15.0633 15.0839 15.0839 15.4621 15.4621 15.5216 15.5216 15.6795 15.6795 k = 0.0000 0.1071-0.0000 ( 2589 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0518 -30.0518 -30.0511 -30.0511 -2.4934 -2.4934 8.4711 8.4711 9.6017 9.6017 9.7153 9.7153 9.7271 9.7271 10.3804 10.3804 10.4302 10.4302 10.9330 10.9330 11.0623 11.0623 11.0974 11.0974 12.8618 12.8618 12.9548 12.9548 13.0602 13.0602 13.9522 13.9522 14.0283 14.0283 14.9664 14.9664 14.9726 14.9726 14.9817 14.9817 15.0473 15.0473 15.0601 15.0601 15.0765 15.0765 15.4232 15.4232 15.4872 15.4872 15.6749 15.6749 k = 0.0000 0.1190-0.0000 ( 2589 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0519 -30.0519 -30.0512 -30.0512 -2.4824 -2.4824 8.4654 8.4654 9.5602 9.5602 9.6861 9.6861 9.6976 9.6976 10.3962 10.3962 10.4508 10.4508 10.9451 10.9451 11.1005 11.1005 11.1351 11.1351 12.8492 12.8492 12.9659 12.9659 13.0690 13.0690 13.9547 13.9547 14.0407 14.0407 14.9580 14.9580 14.9659 14.9659 14.9798 14.9798 15.0401 15.0401 15.0566 15.0566 15.0690 15.0690 15.3812 15.3812 15.4485 15.4485 15.6714 15.6714 k = 0.0000 0.1310-0.0000 ( 2589 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0521 -30.0521 -30.0512 -30.0512 -2.4704 -2.4704 8.4553 8.4553 9.5220 9.5220 9.6560 9.6560 9.6673 9.6673 10.4135 10.4135 10.4723 10.4723 10.9583 10.9583 11.1406 11.1406 11.1749 11.1749 12.8349 12.8349 12.9779 12.9779 13.0789 13.0789 13.9573 13.9573 14.0516 14.0516 14.9479 14.9479 14.9576 14.9576 14.9776 14.9776 15.0324 15.0324 15.0527 15.0527 15.0613 15.0613 15.3367 15.3367 15.4062 15.4062 15.6688 15.6688 k = 0.0000 0.1429-0.0000 ( 2597 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0523 -30.0523 -30.0512 -30.0512 -2.4575 -2.4575 8.4397 8.4397 9.4888 9.4888 9.6253 9.6253 9.6364 9.6364 10.4322 10.4322 10.4945 10.4945 10.9726 10.9726 11.1823 11.1823 11.2164 11.2164 12.8188 12.8188 12.9906 12.9906 13.0900 13.0900 13.9601 13.9601 14.0605 14.0605 14.9360 14.9360 14.9470 14.9470 14.9752 14.9752 15.0244 15.0244 15.0486 15.0486 15.0531 15.0531 15.2902 15.2902 15.3612 15.3612 15.6667 15.6667 k = 0.0000 0.1548-0.0000 ( 2605 PWs) bands (ev): -63.3732 -63.3732 -33.9587 -33.9587 -30.0525 -30.0525 -30.0512 -30.0512 -2.4437 -2.4437 8.4176 8.4176 9.4622 9.4622 9.5941 9.5941 9.6051 9.6051 10.4523 10.4523 10.5174 10.5174 10.9880 10.9880 11.2254 11.2254 11.2594 11.2594 12.8011 12.8011 13.0039 13.0039 13.1019 13.1019 13.9631 13.9631 14.0671 14.0671 14.9222 14.9222 14.9336 14.9336 14.9726 14.9726 15.0164 15.0164 15.0441 15.0441 15.0442 15.0442 15.2425 15.2425 15.3142 15.3142 15.6650 15.6650 k = 0.0000 0.1667-0.0000 ( 2605 PWs) bands (ev): -63.3732 -63.3732 -33.9587 -33.9587 -30.0526 -30.0526 -30.0512 -30.0512 -2.4292 -2.4292 8.3884 8.3884 9.4432 9.4432 9.5629 9.5629 9.5738 9.5738 10.4736 10.4736 10.5411 10.5411 11.0045 11.0045 11.2697 11.2697 11.3037 11.3037 12.7818 12.7818 13.0178 13.0178 13.1147 13.1147 13.9661 13.9661 14.0712 14.0712 14.9064 14.9064 14.9168 14.9168 14.9696 14.9696 15.0087 15.0087 15.0338 15.0338 15.0392 15.0392 15.1945 15.1945 15.2663 15.2663 15.6636 15.6636 k = 0.0000 0.1786-0.0000 ( 2605 PWs) bands (ev): -63.3732 -63.3732 -33.9588 -33.9588 -30.0528 -30.0528 -30.0512 -30.0512 -2.4138 -2.4138 8.3519 8.3519 9.4326 9.4326 9.5316 9.5316 9.5426 9.5426 10.4962 10.4962 10.5654 10.5654 11.0220 11.0220 11.3150 11.3150 11.3490 11.3490 12.7611 12.7611 13.0321 13.0321 13.1281 13.1281 13.9691 13.9691 14.0726 14.0726 14.8889 14.8889 14.8959 14.8959 14.9661 14.9661 15.0011 15.0011 15.0211 15.0211 15.0332 15.0332 15.1476 15.1476 15.2188 15.2188 15.6625 15.6625 k = 0.0000 0.1905-0.0000 ( 2621 PWs) bands (ev): -63.3732 -63.3732 -33.9589 -33.9589 -30.0530 -30.0530 -30.0512 -30.0512 -2.3979 -2.3979 8.3080 8.3080 9.4305 9.4305 9.5006 9.5006 9.5117 9.5117 10.5198 10.5198 10.5904 10.5904 11.0407 11.0407 11.3612 11.3612 11.3953 11.3953 12.7389 12.7389 13.0466 13.0466 13.1421 13.1421 13.9722 13.9722 14.0712 14.0712 14.8696 14.8696 14.8701 14.8701 14.9619 14.9619 14.9938 14.9938 15.0043 15.0043 15.0241 15.0241 15.1046 15.1046 15.1738 15.1738 15.6614 15.6614 k = 0.0000 0.2024-0.0000 ( 2621 PWs) bands (ev): -63.3732 -63.3732 -33.9589 -33.9589 -30.0532 -30.0532 -30.0512 -30.0512 -2.3813 -2.3813 8.2576 8.2576 9.4366 9.4366 9.4699 9.4699 9.4815 9.4815 10.5445 10.5445 10.6160 10.6160 11.0604 11.0604 11.4082 11.4082 11.4423 11.4423 12.7153 12.7153 13.0613 13.0613 13.1564 13.1564 13.9752 13.9752 14.0670 14.0670 14.8390 14.8390 14.8489 14.8489 14.9560 14.9560 14.9809 14.9809 14.9866 14.9866 15.0076 15.0076 15.0719 15.0719 15.1341 15.1341 15.6605 15.6605 k = 0.0000 0.2143-0.0000 ( 2633 PWs) bands (ev): -63.3733 -63.3733 -33.9590 -33.9590 -30.0535 -30.0535 -30.0512 -30.0512 -2.3642 -2.3642 8.2015 8.2015 9.4398 9.4398 9.4448 9.4448 9.4574 9.4574 10.5702 10.5702 10.6421 10.6421 11.0812 11.0812 11.4558 11.4558 11.4900 11.4900 12.6904 12.6904 13.0758 13.0758 13.1706 13.1706 13.9780 13.9780 14.0601 14.0601 14.8022 14.8022 14.8270 14.8270 14.9440 14.9440 14.9485 14.9485 14.9796 14.9796 14.9834 14.9834 15.0540 15.0540 15.1024 15.1024 15.6598 15.6598 k = 0.0000 0.2262-0.0000 ( 2625 PWs) bands (ev): -63.3732 -63.3732 -33.9591 -33.9591 -30.0537 -30.0537 -30.0512 -30.0512 -2.3467 -2.3467 8.1407 8.1407 9.4102 9.4102 9.4202 9.4202 9.4739 9.4739 10.5968 10.5968 10.6688 10.6688 11.1030 11.1030 11.5040 11.5040 11.5382 11.5382 12.6644 12.6644 13.0902 13.0902 13.1851 13.1851 13.9809 13.9809 14.0507 14.0507 14.7602 14.7602 14.8041 14.8041 14.9071 14.9071 14.9162 14.9162 14.9666 14.9666 14.9727 14.9727 15.0456 15.0456 15.0793 15.0793 15.6591 15.6591 k = 0.0000 0.2381-0.0000 ( 2625 PWs) bands (ev): -63.3732 -63.3732 -33.9592 -33.9592 -30.0539 -30.0539 -30.0512 -30.0512 -2.3289 -2.3289 8.0765 8.0765 9.3814 9.3814 9.3919 9.3919 9.5011 9.5011 10.6240 10.6240 10.6957 10.6957 11.1258 11.1258 11.5527 11.5527 11.5870 11.5870 12.6373 12.6373 13.1041 13.1041 13.1992 13.1992 13.9834 13.9834 14.0387 14.0387 14.7135 14.7135 14.7801 14.7801 14.8592 14.8592 14.8764 14.8764 14.9587 14.9587 14.9658 14.9658 15.0409 15.0409 15.0626 15.0626 15.6585 15.6585 k = 0.0000 0.2500-0.0000 ( 2609 PWs) bands (ev): -63.3732 -63.3732 -33.9592 -33.9592 -30.0541 -30.0541 -30.0512 -30.0512 -2.3108 -2.3108 8.0097 8.0097 9.3534 9.3534 9.3641 9.3641 9.5340 9.5340 10.6519 10.6519 10.7230 10.7230 11.1496 11.1496 11.6019 11.6019 11.6361 11.6361 12.6090 12.6090 13.1174 13.1174 13.2130 13.2130 13.9856 13.9856 14.0244 14.0244 14.6635 14.6635 14.7552 14.7552 14.8080 14.8080 14.8322 14.8322 14.9534 14.9534 14.9590 14.9590 15.0379 15.0379 15.0500 15.0500 15.6580 15.6580 k = 0.0000 0.2619-0.0000 ( 2625 PWs) bands (ev): -63.3732 -63.3732 -33.9593 -33.9593 -30.0543 -30.0543 -30.0513 -30.0513 -2.2926 -2.2926 7.9414 7.9414 9.3262 9.3262 9.3371 9.3371 9.5716 9.5716 10.6802 10.6802 10.7503 10.7503 11.1743 11.1743 11.6513 11.6513 11.6854 11.6854 12.5798 12.5798 13.1296 13.1296 13.2259 13.2259 13.9874 13.9874 14.0081 14.0081 14.6109 14.6109 14.7272 14.7272 14.7572 14.7572 14.7852 14.7852 14.9489 14.9489 14.9521 14.9521 15.0357 15.0357 15.0399 15.0399 15.6575 15.6575 k = 0.0000 0.2738-0.0000 ( 2625 PWs) bands (ev): -63.3732 -63.3732 -33.9594 -33.9594 -30.0545 -30.0545 -30.0513 -30.0513 -2.2743 -2.2743 7.8724 7.8724 9.3000 9.3000 9.3110 9.3110 9.6132 9.6132 10.7089 10.7089 10.7777 10.7777 11.1999 11.1999 11.7010 11.7010 11.7351 11.7351 12.5496 12.5496 13.1409 13.1409 13.2381 13.2381 13.9889 13.9889 13.9900 13.9900 14.5569 14.5569 14.6878 14.6878 14.7171 14.7171 14.7361 14.7361 14.9447 14.9447 14.9452 14.9452 15.0313 15.0313 15.0340 15.0340 15.6570 15.6570 k = 0.0000 0.2857-0.0000 ( 2617 PWs) bands (ev): -63.3732 -63.3732 -33.9594 -33.9594 -30.0548 -30.0548 -30.0513 -30.0513 -2.2561 -2.2561 7.8035 7.8035 9.2748 9.2748 9.2860 9.2860 9.6581 9.6581 10.7377 10.7377 10.8050 10.8050 11.2264 11.2264 11.7510 11.7510 11.7848 11.7848 12.5186 12.5186 13.1507 13.1507 13.2492 13.2492 13.9702 13.9702 13.9897 13.9897 14.5025 14.5025 14.6365 14.6365 14.6849 14.6849 14.6891 14.6891 14.9383 14.9383 14.9408 14.9408 15.0237 15.0237 15.0327 15.0327 15.6566 15.6566 k = 0.0000 0.2976-0.0000 ( 2609 PWs) bands (ev): -63.3731 -63.3731 -33.9595 -33.9595 -30.0550 -30.0550 -30.0513 -30.0513 -2.2381 -2.2381 7.7354 7.7354 9.2508 9.2508 9.2621 9.2621 9.7058 9.7058 10.7666 10.7666 10.8319 10.8319 11.2537 11.2537 11.8012 11.8012 11.8347 11.8347 12.4868 12.4868 13.1589 13.1589 13.2589 13.2589 13.9491 13.9491 13.9900 13.9900 14.4482 14.4482 14.5832 14.5832 14.6318 14.6318 14.6643 14.6643 14.9314 14.9314 14.9369 14.9369 15.0169 15.0169 15.0317 15.0317 15.6563 15.6563 k = 0.0000 0.3095-0.0000 ( 2605 PWs) bands (ev): -63.3731 -63.3731 -33.9596 -33.9596 -30.0552 -30.0552 -30.0513 -30.0513 -2.2203 -2.2203 7.6687 7.6687 9.2278 9.2278 9.2393 9.2393 9.7555 9.7555 10.7954 10.7954 10.8585 10.8585 11.2818 11.2818 11.8515 11.8515 11.8845 11.8845 12.4543 12.4543 13.1650 13.1650 13.2670 13.2670 13.9270 13.9270 13.9897 13.9897 14.3947 14.3947 14.5304 14.5304 14.5772 14.5772 14.6408 14.6408 14.9246 14.9246 14.9332 14.9332 15.0107 15.0107 15.0308 15.0308 15.6560 15.6560 k = 0.0000 0.3214-0.0000 ( 2605 PWs) bands (ev): -63.3731 -63.3731 -33.9596 -33.9596 -30.0554 -30.0554 -30.0513 -30.0513 -2.2029 -2.2029 7.6038 7.6038 9.2060 9.2060 9.2176 9.2176 9.8070 9.8070 10.8238 10.8238 10.8843 10.8843 11.3107 11.3107 11.9018 11.9018 11.9342 11.9342 12.4212 12.4212 13.1688 13.1688 13.2731 13.2731 13.9038 13.9038 13.9886 13.9886 14.3425 14.3425 14.4791 14.4791 14.5215 14.5215 14.6184 14.6184 14.9178 14.9178 14.9295 14.9295 15.0050 15.0050 15.0300 15.0300 15.6557 15.6557 k = 0.0000 0.3333-0.0000 ( 2605 PWs) bands (ev): -63.3731 -63.3731 -33.9597 -33.9597 -30.0556 -30.0556 -30.0513 -30.0513 -2.1860 -2.1860 7.5412 7.5412 9.1855 9.1855 9.1972 9.1972 9.8595 9.8595 10.8517 10.8517 10.9093 10.9093 11.3402 11.3402 11.9520 11.9520 11.9836 11.9836 12.3875 12.3875 13.1701 13.1701 13.2771 13.2771 13.8800 13.8800 13.9867 13.9867 14.2919 14.2920 14.4298 14.4298 14.4653 14.4653 14.5971 14.5971 14.9111 14.9111 14.9259 14.9259 14.9997 14.9997 15.0294 15.0294 15.6554 15.6554 k = 0.0000 0.3452-0.0000 ( 2605 PWs) bands (ev): -63.3731 -63.3731 -33.9598 -33.9598 -30.0557 -30.0557 -30.0513 -30.0513 -2.1698 -2.1698 7.4814 7.4814 9.1662 9.1662 9.1780 9.1780 9.9126 9.9126 10.8790 10.8790 10.9334 10.9334 11.3704 11.3704 12.0021 12.0021 12.0326 12.0326 12.3535 12.3535 13.1684 13.1684 13.2786 13.2786 13.8558 13.8558 13.9841 13.9841 14.2435 14.2435 14.3831 14.3831 14.4096 14.4096 14.5772 14.5772 14.9046 14.9046 14.9225 14.9225 14.9947 14.9947 15.0288 15.0288 15.6551 15.6551 k = 0.0000 0.3571-0.0000 ( 2613 PWs) bands (ev): -63.3731 -63.3731 -33.9598 -33.9598 -30.0559 -30.0559 -30.0513 -30.0513 -2.1542 -2.1542 7.4247 7.4247 9.1482 9.1482 9.1602 9.1602 9.9658 9.9658 10.9053 10.9053 10.9562 10.9562 11.4011 11.4011 12.0519 12.0519 12.0810 12.0810 12.3192 12.3192 13.1635 13.1635 13.2775 13.2775 13.8315 13.8315 13.9807 13.9807 14.1972 14.1972 14.3392 14.3392 14.3551 14.3551 14.5587 14.5587 14.8983 14.8983 14.9192 14.9192 14.9902 14.9902 15.0283 15.0283 15.6548 15.6548 k = 0.0000 0.3690-0.0000 ( 2613 PWs) bands (ev): -63.3731 -63.3731 -33.9599 -33.9599 -30.0561 -30.0561 -30.0513 -30.0513 -2.1394 -2.1394 7.3713 7.3713 9.1316 9.1316 9.1436 9.1436 10.0184 10.0184 10.9306 10.9306 10.9776 10.9776 11.4323 11.4323 12.1013 12.1013 12.1284 12.1284 12.2848 12.2848 13.1553 13.1553 13.2737 13.2737 13.8073 13.8073 13.9766 13.9766 14.1531 14.1531 14.2987 14.2987 14.3028 14.3028 14.5418 14.5418 14.8922 14.8922 14.9161 14.9161 14.9860 14.9860 15.0279 15.0279 15.6546 15.6546 k = 0.0000 0.3810-0.0000 ( 2621 PWs) bands (ev): -63.3731 -63.3731 -33.9599 -33.9599 -30.0563 -30.0563 -30.0513 -30.0513 -2.1255 -2.1255 7.3217 7.3217 9.1163 9.1163 9.1284 9.1284 10.0700 10.0700 10.9546 10.9546 10.9974 10.9974 11.4639 11.4639 12.1501 12.1501 12.1738 12.1738 12.2514 12.2514 13.1437 13.1437 13.2670 13.2670 13.7838 13.7838 13.9718 13.9718 14.1112 14.1112 14.2541 14.2541 14.2618 14.2618 14.5266 14.5266 14.8864 14.8864 14.9132 14.9132 14.9821 14.9821 15.0276 15.0276 15.6544 15.6544 k = 0.0000 0.3929-0.0000 ( 2621 PWs) bands (ev): -63.3731 -63.3731 -33.9600 -33.9600 -30.0564 -30.0564 -30.0513 -30.0513 -2.1126 -2.1126 7.2761 7.2761 9.1023 9.1023 9.1146 9.1146 10.1198 10.1198 10.9770 10.9770 11.0154 11.0154 11.4957 11.4957 12.1981 12.1981 12.2026 12.2026 12.2334 12.2334 13.1287 13.1287 13.2576 13.2576 13.7611 13.7611 13.9666 13.9666 14.0711 14.0711 14.2098 14.2098 14.2287 14.2287 14.5130 14.5130 14.8810 14.8810 14.9105 14.9105 14.9786 14.9786 15.0273 15.0273 15.6543 15.6543 k = 0.0000 0.4048-0.0000 ( 2617 PWs) bands (ev): -63.3731 -63.3731 -33.9600 -33.9600 -30.0565 -30.0565 -30.0513 -30.0513 -2.1008 -2.1008 7.2346 7.2346 9.0898 9.0898 9.1022 9.1022 10.1673 10.1673 10.9978 10.9978 11.0316 11.0316 11.5276 11.5276 12.1764 12.1764 12.2450 12.2450 12.2689 12.2689 13.1107 13.1107 13.2457 13.2457 13.7398 13.7398 13.9610 13.9610 14.0327 14.0327 14.1710 14.1710 14.1995 14.1995 14.5011 14.5011 14.8760 14.8760 14.9080 14.9080 14.9755 14.9755 15.0270 15.0270 15.6541 15.6541 k = 0.0000 0.4167-0.0000 ( 2613 PWs) bands (ev): -63.3731 -63.3731 -33.9601 -33.9601 -30.0566 -30.0566 -30.0513 -30.0513 -2.0902 -2.0902 7.1976 7.1976 9.0788 9.0788 9.0912 9.0912 10.2117 10.2117 11.0167 11.0167 11.0458 11.0458 11.5594 11.5594 12.1432 12.1432 12.2903 12.2903 12.3098 12.3098 13.0899 13.0899 13.2317 13.2317 13.7202 13.7202 13.9553 13.9553 13.9961 13.9961 14.1381 14.1381 14.1743 14.1743 14.4909 14.4909 14.8714 14.8714 14.9057 14.9057 14.9727 14.9727 15.0268 15.0268 15.6540 15.6540 k = 0.0000 0.4286-0.0000 ( 2617 PWs) bands (ev): -63.3731 -63.3731 -33.9601 -33.9601 -30.0567 -30.0567 -30.0513 -30.0513 -2.0808 -2.0808 7.1652 7.1652 9.0691 9.0691 9.0816 9.0816 10.2523 10.2523 11.0335 11.0335 11.0579 11.0579 11.5906 11.5906 12.1100 12.1100 12.3335 12.3335 12.3486 12.3486 13.0671 13.0671 13.2161 13.2161 13.7026 13.7026 13.9498 13.9498 13.9619 13.9619 14.1111 14.1111 14.1529 14.1529 14.4822 14.4822 14.8673 14.8673 14.9037 14.9037 14.9703 14.9703 15.0266 15.0266 15.6539 15.6539 k = 0.0000 0.4405-0.0000 ( 2617 PWs) bands (ev): -63.3731 -63.3731 -33.9601 -33.9601 -30.0568 -30.0568 -30.0513 -30.0513 -2.0728 -2.0728 7.1374 7.1374 9.0609 9.0609 9.0735 9.0735 10.2884 10.2884 11.0481 11.0481 11.0680 11.0680 11.6209 11.6209 12.0779 12.0779 12.3739 12.3739 12.3843 12.3843 13.0432 13.0432 13.2000 13.2000 13.6873 13.6873 13.9308 13.9308 13.9446 13.9446 14.0897 14.0897 14.1354 14.1354 14.4751 14.4751 14.8637 14.8637 14.9020 14.9020 14.9682 14.9682 15.0265 15.0265 15.6538 15.6538 k = 0.0000 0.4524-0.0000 ( 2617 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0569 -30.0569 -30.0513 -30.0513 -2.0661 -2.0661 7.1146 7.1146 9.0542 9.0542 9.0668 9.0668 10.3192 10.3192 11.0602 11.0602 11.0760 11.0760 11.6497 11.6497 12.0477 12.0477 12.4104 12.4104 12.4157 12.4157 13.0197 13.0197 13.1842 13.1842 13.6745 13.6745 13.9039 13.9039 13.9400 13.9400 14.0732 14.0732 14.1214 14.1214 14.4695 14.4695 14.8607 14.8607 14.9006 14.9006 14.9665 14.9665 15.0263 15.0263 15.6537 15.6537 k = 0.0000 0.4643-0.0000 ( 2614 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0609 -2.0609 7.0967 7.0967 9.0490 9.0490 9.0616 9.0616 10.3439 10.3439 11.0698 11.0698 11.0821 11.0821 11.6757 11.6757 12.0205 12.0205 12.4418 12.4418 12.4418 12.4418 12.9981 12.9981 13.1701 13.1701 13.6644 13.6644 13.8818 13.8818 13.9361 13.9361 14.0610 14.0610 14.1108 14.1108 14.4652 14.4652 14.8584 14.8584 14.8995 14.8995 14.9652 14.9652 15.0263 15.0263 15.6538 15.6538 k = 0.0000 0.4762-0.0000 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0571 -2.0571 7.0838 7.0838 9.0453 9.0453 9.0579 9.0579 10.3622 10.3622 11.0768 11.0768 11.0863 11.0863 11.6973 11.6973 11.9981 11.9981 12.4615 12.4615 12.4663 12.4663 12.9805 12.9805 13.1588 13.1588 13.6572 13.6572 13.8656 13.8656 13.9333 13.9333 14.0526 14.0526 14.1034 14.1034 14.4622 14.4622 14.8567 14.8567 14.8987 14.8987 14.9643 14.9643 15.0263 15.0263 15.6538 15.6538 k = 0.0000 0.4881-0.0000 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0548 -2.0548 7.0761 7.0761 9.0431 9.0431 9.0557 9.0557 10.3733 10.3733 11.0810 11.0810 11.0888 11.0888 11.7120 11.7120 11.9828 11.9828 12.4738 12.4738 12.4820 12.4820 12.9688 12.9688 13.1515 13.1515 13.6528 13.6528 13.8558 13.8558 13.9316 13.9316 14.0478 14.0478 14.0990 14.0990 14.4605 14.4605 14.8557 14.8557 14.8983 14.8983 14.9637 14.9637 15.0262 15.0262 15.6538 15.6538 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0541 -2.0541 7.0736 7.0736 9.0423 9.0423 9.0550 9.0550 10.3770 10.3770 11.0824 11.0824 11.0896 11.0896 11.7173 11.7173 11.9774 11.9774 12.4780 12.4780 12.4875 12.4875 12.9646 12.9646 13.1490 13.1490 13.6514 13.6514 13.8525 13.8525 13.9310 13.9310 14.0462 14.0462 14.0976 14.0976 14.4599 14.4599 14.8553 14.8553 14.8981 14.8981 14.9635 14.9635 15.0262 15.0262 15.6538 15.6538 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0541 -2.0541 7.0736 7.0736 9.0423 9.0423 9.0550 9.0550 10.3770 10.3770 11.0824 11.0824 11.0896 11.0896 11.7173 11.7173 11.9774 11.9774 12.4780 12.4780 12.4875 12.4875 12.9646 12.9646 13.1490 13.1490 13.6514 13.6514 13.8525 13.8525 13.9310 13.9310 14.0462 14.0462 14.0976 14.0976 14.4599 14.4599 14.8553 14.8553 14.8981 14.8981 14.9635 14.9635 15.0262 15.0262 15.6538 15.6538 k = 0.0119 0.5000-0.0000 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0535 -2.0535 7.0737 7.0737 9.0404 9.0404 9.0533 9.0533 10.3777 10.3777 11.0833 11.0833 11.0903 11.0903 11.7174 11.7174 11.9768 11.9768 12.4782 12.4782 12.4877 12.4877 12.9630 12.9630 13.1469 13.1469 13.6515 13.6515 13.8483 13.8483 13.9340 13.9340 14.0481 14.0481 14.0995 14.0995 14.4600 14.4600 14.8556 14.8556 14.8975 14.8975 14.9614 14.9614 15.0314 15.0314 15.6521 15.6521 k = 0.0238 0.5000-0.0000 ( 2602 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0516 -2.0516 7.0740 7.0740 9.0332 9.0332 9.0498 9.0498 10.3798 10.3798 11.0859 11.0859 11.0924 11.0924 11.7178 11.7178 11.9752 11.9752 12.4789 12.4789 12.4884 12.4884 12.9577 12.9577 13.1417 13.1417 13.6515 13.6515 13.8369 13.8369 13.9429 13.9429 14.0526 14.0526 14.1056 14.1056 14.4601 14.4601 14.8561 14.8561 14.8945 14.8945 14.9589 14.9589 15.0442 15.0442 15.6470 15.6470 k = 0.0357 0.5000-0.0000 ( 2610 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0486 -2.0486 7.0746 7.0746 9.0191 9.0191 9.0463 9.0463 10.3833 10.3833 11.0902 11.0902 11.0959 11.0959 11.7184 11.7184 11.9725 11.9725 12.4800 12.4800 12.4896 12.4896 12.9473 12.9473 13.1357 13.1357 13.6501 13.6501 13.8202 13.8202 13.9576 13.9576 14.0574 14.0574 14.1162 14.1162 14.4606 14.4606 14.8558 14.8558 14.8881 14.8881 14.9618 14.9618 15.0607 15.0607 15.6384 15.6384 k = 0.0476 0.5000-0.0000 ( 2614 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0444 -2.0444 7.0753 7.0753 8.9982 8.9982 9.0427 9.0427 10.3881 10.3881 11.0959 11.0959 11.1011 11.1011 11.7192 11.7192 11.9688 11.9688 12.4812 12.4812 12.4915 12.4915 12.9306 12.9306 13.1321 13.1321 13.6462 13.6462 13.8001 13.8001 13.9777 13.9777 14.0613 14.0613 14.1308 14.1308 14.4613 14.4613 14.8519 14.8519 14.8812 14.8812 14.9719 14.9719 15.0790 15.0790 15.6268 15.6268 k = 0.0595 0.5000-0.0000 ( 2610 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0515 -30.0515 -2.0389 -2.0389 7.0763 7.0763 8.9713 8.9713 9.0386 9.0386 10.3944 10.3944 11.1026 11.1026 11.1084 11.1084 11.7204 11.7204 11.9643 11.9643 12.4825 12.4825 12.4943 12.4943 12.9068 12.9068 13.1329 13.1329 13.6390 13.6390 13.7781 13.7781 14.0021 14.0021 14.0647 14.0647 14.1480 14.1480 14.4627 14.4627 14.8409 14.8409 14.8791 14.8791 14.9879 14.9879 15.0982 15.0982 15.6119 15.6119 k = 0.0714 0.5000-0.0000 ( 2610 PWs) bands (ev): -63.3730 -63.3730 -33.9603 -33.9603 -30.0570 -30.0570 -30.0515 -30.0515 -2.0323 -2.0323 7.0774 7.0774 8.9386 8.9386 9.0338 9.0338 10.4022 10.4022 11.1100 11.1100 11.1180 11.1180 11.7217 11.7217 11.9590 11.9590 12.4837 12.4837 12.4978 12.4978 12.8767 12.8767 13.1389 13.1389 13.6284 13.6284 13.7550 13.7550 14.0279 14.0279 14.0694 14.0694 14.1661 14.1661 14.4648 14.4648 14.8245 14.8245 14.8816 14.8816 15.0083 15.0083 15.1178 15.1178 15.5940 15.5940 k = 0.0833 0.5000-0.0000 ( 2618 PWs) bands (ev): -63.3731 -63.3731 -33.9603 -33.9603 -30.0570 -30.0570 -30.0516 -30.0516 -2.0246 -2.0246 7.0787 7.0787 8.9005 8.9005 9.0283 9.0283 10.4113 10.4113 11.1181 11.1181 11.1298 11.1298 11.7232 11.7232 11.9529 11.9529 12.4847 12.4847 12.5022 12.5022 12.8418 12.8418 13.1495 13.1495 13.6148 13.6148 13.7313 13.7313 14.0477 14.0477 14.0819 14.0819 14.1839 14.1839 14.4679 14.4679 14.8055 14.8055 14.8868 14.8868 15.0319 15.0319 15.1375 15.1375 15.5731 15.5731 k = 0.0952 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3731 -63.3731 -33.9603 -33.9603 -30.0571 -30.0571 -30.0517 -30.0517 -2.0158 -2.0158 7.0802 7.0802 8.8574 8.8574 9.0222 9.0222 10.4220 10.4220 11.1271 11.1271 11.1435 11.1435 11.7250 11.7250 11.9464 11.9464 12.4854 12.4854 12.5074 12.5074 12.8037 12.8037 13.1642 13.1642 13.5987 13.5987 13.7076 13.7076 14.0552 14.0552 14.1071 14.1071 14.2008 14.2008 14.4726 14.4726 14.7854 14.7854 14.8941 14.8941 15.0578 15.0578 15.1573 15.1573 15.5495 15.5495 k = 0.1071 0.5000-0.0000 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9603 -33.9603 -30.0571 -30.0571 -30.0517 -30.0517 -2.0059 -2.0059 7.0817 7.0817 8.8097 8.8097 9.0153 9.0153 10.4341 10.4341 11.1370 11.1370 11.1592 11.1592 11.7269 11.7269 11.9394 11.9394 12.4859 12.4859 12.5133 12.5133 12.7636 12.7636 13.1819 13.1819 13.5808 13.5808 13.6842 13.6842 14.0574 14.0574 14.1365 14.1365 14.2162 14.2162 14.4792 14.4792 14.7646 14.7646 14.9034 14.9034 15.0853 15.0853 15.1770 15.1770 15.5234 15.5234 k = 0.1190 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0571 -30.0571 -30.0518 -30.0518 -1.9950 -1.9950 7.0834 7.0834 8.7576 8.7576 9.0079 9.0079 10.4478 10.4478 11.1476 11.1476 11.1767 11.1767 11.7291 11.7291 11.9320 11.9320 12.4859 12.4859 12.5200 12.5200 12.7228 12.7228 13.2021 13.2021 13.5616 13.5616 13.6611 13.6611 14.0581 14.0581 14.1648 14.1648 14.2297 14.2297 14.4884 14.4884 14.7436 14.7436 14.9147 14.9147 15.1138 15.1138 15.1966 15.1966 15.4948 15.4948 k = 0.1310 0.5000-0.0000 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0571 -30.0571 -30.0519 -30.0519 -1.9832 -1.9832 7.0852 7.0852 8.7016 8.7016 8.9999 8.9999 10.4630 10.4630 11.1590 11.1590 11.1960 11.1960 11.7315 11.7315 11.9245 11.9245 12.4855 12.4855 12.5271 12.5271 12.6822 12.6822 13.2243 13.2243 13.5416 13.5416 13.6388 13.6388 14.0581 14.0581 14.1893 14.1893 14.2417 14.2417 14.5009 14.5009 14.7224 14.7224 14.9282 14.9282 15.1427 15.1427 15.2161 15.2161 15.4641 15.4641 k = 0.1429 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0571 -30.0571 -30.0520 -30.0520 -1.9704 -1.9704 7.0869 7.0869 8.6420 8.6420 8.9913 8.9913 10.4797 10.4797 11.1709 11.1709 11.2170 11.2170 11.7340 11.7340 11.9169 11.9169 12.4846 12.4846 12.5345 12.5345 12.6425 12.6425 13.2477 13.2477 13.5212 13.5212 13.6174 13.6174 14.0578 14.0578 14.2078 14.2078 14.2524 14.2524 14.5172 14.5172 14.7011 14.7011 14.9438 14.9438 15.1715 15.1715 15.2353 15.2353 15.4316 15.4316 k = 0.1548 0.5000-0.0000 ( 2620 PWs) bands (ev): -63.3730 -63.3730 -33.9605 -33.9605 -30.0571 -30.0571 -30.0521 -30.0521 -1.9567 -1.9567 7.0888 7.0888 8.5795 8.5795 8.9823 8.9823 10.4980 10.4980 11.1834 11.1834 11.2396 11.2396 11.7368 11.7368 11.9093 11.9093 12.4830 12.4830 12.5412 12.5412 12.6053 12.6053 13.2719 13.2719 13.5008 13.5008 13.5972 13.5972 14.0574 14.0574 14.2192 14.2192 14.2622 14.2622 14.5375 14.5375 14.6800 14.6800 14.9616 14.9616 15.1998 15.1998 15.2541 15.2541 15.3977 15.3977 k = 0.1667 0.5000-0.0000 ( 2630 PWs) bands (ev): -63.3731 -63.3731 -33.9605 -33.9605 -30.0572 -30.0572 -30.0522 -30.0522 -1.9422 -1.9422 7.0906 7.0906 8.5142 8.5142 8.9728 8.9728 10.5179 10.5179 11.1963 11.1963 11.2640 11.2640 11.7398 11.7398 11.9018 11.9018 12.4804 12.4804 12.5411 12.5411 12.5770 12.5770 13.2959 13.2959 13.4808 13.4808 13.5787 13.5787 14.0567 14.0567 14.2236 14.2236 14.2704 14.2704 14.5614 14.5614 14.6593 14.6593 14.9815 14.9815 15.2269 15.2269 15.2715 15.2715 15.3638 15.3638 k = 0.1786 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0572 -30.0572 -30.0523 -30.0523 -1.9270 -1.9270 7.0924 7.0924 8.4468 8.4468 8.9630 8.9630 10.5393 10.5393 11.2094 11.2094 11.2900 11.2900 11.7430 11.7430 11.8945 11.8945 12.4763 12.4763 12.5201 12.5201 12.5732 12.5732 13.3190 13.3190 13.4616 13.4616 13.5626 13.5626 14.0561 14.0561 14.2227 14.2227 14.2762 14.2762 14.5874 14.5874 14.6402 14.6402 15.0035 15.0035 15.2527 15.2527 15.2819 15.2819 15.3358 15.3358 k = 0.1905 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0572 -30.0572 -30.0524 -30.0524 -1.9112 -1.9112 7.0941 7.0941 8.3775 8.3775 8.9528 8.9528 10.5622 10.5622 11.2227 11.2227 11.3176 11.3176 11.7465 11.7465 11.8874 11.8874 12.4671 12.4671 12.4941 12.4941 12.5809 12.5809 13.3392 13.3392 13.4440 13.4440 13.5498 13.5498 14.0553 14.0553 14.2173 14.2173 14.2790 14.2790 14.6033 14.6033 14.6339 14.6339 15.0271 15.0271 15.2662 15.2662 15.2769 15.2769 15.3331 15.3331 k = 0.2024 0.5000-0.0000 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0573 -30.0573 -30.0525 -30.0525 -1.8947 -1.8947 7.0958 7.0958 8.3069 8.3069 8.9424 8.9424 10.5867 10.5867 11.2360 11.2360 11.3466 11.3466 11.7500 11.7500 11.8805 11.8805 12.4454 12.4454 12.4799 12.4799 12.5912 12.5912 13.3535 13.3535 13.4292 13.4292 13.5418 13.5418 14.0544 14.0544 14.2081 14.2081 14.2788 14.2788 14.5901 14.5901 14.6586 14.6586 15.0522 15.0522 15.2316 15.2316 15.2988 15.2988 15.3491 15.3491 k = 0.2143 0.5000-0.0000 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0573 -30.0573 -30.0526 -30.0526 -1.8778 -1.8778 7.0974 7.0974 8.2353 8.2353 8.9319 8.9319 10.6126 10.6126 11.2491 11.2491 11.3769 11.3769 11.7539 11.7539 11.8740 11.8740 12.4176 12.4176 12.4729 12.4729 12.6025 12.6025 13.3581 13.3581 13.4191 13.4191 13.5410 13.5410 14.0535 14.0535 14.1958 14.1958 14.2760 14.2760 14.5708 14.5708 14.6908 14.6908 15.0785 15.0785 15.1923 15.1923 15.3190 15.3190 15.3693 15.3693 k = 0.2262 0.5000-0.0000 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9608 -33.9608 -30.0574 -30.0574 -30.0528 -30.0528 -1.8604 -1.8604 7.0989 7.0989 8.1632 8.1632 8.9212 8.9212 10.6399 10.6399 11.2619 11.2619 11.4086 11.4086 11.7579 11.7579 11.8679 11.8679 12.3900 12.3900 12.4669 12.4669 12.6146 12.6146 13.3523 13.3523 13.4124 13.4124 13.5486 13.5486 14.0523 14.0523 14.1807 14.1807 14.2710 14.2710 14.5507 14.5507 14.7244 14.7244 15.1049 15.1049 15.1520 15.1520 15.3377 15.3377 15.3906 15.3906 k = 0.2381 0.5000-0.0000 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9608 -33.9608 -30.0574 -30.0574 -30.0529 -30.0529 -1.8427 -1.8427 7.1003 7.1003 8.0910 8.0910 8.9104 8.9104 10.6686 10.6686 11.2743 11.2743 11.4413 11.4413 11.7622 11.7622 11.8622 11.8622 12.3641 12.3641 12.4609 12.4609 12.6272 12.6272 13.3404 13.3404 13.4056 13.4056 13.5643 13.5643 14.0507 14.0507 14.1634 14.1634 14.2640 14.2640 14.5306 14.5306 14.7582 14.7582 15.1044 15.1044 15.1386 15.1386 15.3552 15.3552 15.4120 15.4120 k = 0.2500 0.5000-0.0000 ( 2610 PWs) bands (ev): -63.3730 -63.3730 -33.9609 -33.9609 -30.0575 -30.0575 -30.0530 -30.0530 -1.8247 -1.8247 7.1016 7.1016 8.0190 8.0190 8.8997 8.8997 10.6985 10.6985 11.2861 11.2861 11.4750 11.4750 11.7669 11.7669 11.8569 11.8569 12.3404 12.3404 12.4546 12.4546 12.6402 12.6402 13.3261 13.3261 13.3968 13.3968 13.5857 13.5857 14.0483 14.0483 14.1445 14.1445 14.2552 14.2552 14.5106 14.5106 14.7918 14.7918 15.0635 15.0635 15.1657 15.1657 15.3716 15.3716 15.4331 15.4331 k = 0.2619 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3730 -63.3730 -33.9609 -33.9609 -30.0575 -30.0575 -30.0531 -30.0531 -1.8066 -1.8066 7.1027 7.1027 7.9477 7.9477 8.8890 8.8890 10.7295 10.7295 11.2971 11.2971 11.5094 11.5094 11.7720 11.7720 11.8521 11.8521 12.3190 12.3190 12.4479 12.4479 12.6535 12.6535 13.3112 13.3112 13.3864 13.3864 13.6108 13.6108 14.0443 14.0443 14.1250 14.1250 14.2449 14.2449 14.4907 14.4907 14.8248 14.8248 15.0206 15.0206 15.1950 15.1950 15.3871 15.3871 15.4535 15.4535 k = 0.2738 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9610 -33.9610 -30.0576 -30.0576 -30.0531 -30.0531 -1.7884 -1.7884 7.1037 7.1037 7.8774 7.8774 8.8784 8.8784 10.7615 10.7615 11.3073 11.3073 11.5442 11.5442 11.7778 11.7778 11.8478 11.8478 12.2999 12.2999 12.4408 12.4408 12.6672 12.6672 13.2965 13.2965 13.3750 13.3750 13.6381 13.6381 14.0369 14.0369 14.1071 14.1071 14.2333 14.2333 14.4711 14.4711 14.8568 14.8568 14.9774 14.9774 15.2247 15.2247 15.4019 15.4019 15.4731 15.4731 k = 0.2857 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9610 -33.9610 -30.0577 -30.0577 -30.0532 -30.0532 -1.7704 -1.7704 7.1046 7.1046 7.8084 7.8084 8.8680 8.8680 10.7944 10.7944 11.3166 11.3166 11.5789 11.5789 11.7846 11.7846 11.8440 11.8440 12.2833 12.2833 12.4335 12.4335 12.6811 12.6811 13.2823 13.2823 13.3631 13.3631 13.6664 13.6664 14.0235 14.0235 14.0933 14.0933 14.2205 14.2205 14.4517 14.4517 14.8872 14.8872 14.9349 14.9349 15.2545 15.2545 15.4159 15.4159 15.4919 15.4919 k = 0.2976 0.5000-0.0000 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0577 -30.0577 -30.0533 -30.0533 -1.7524 -1.7524 7.1053 7.1053 7.7411 7.7411 8.8578 8.8578 10.8279 10.8279 11.3248 11.3248 11.6129 11.6129 11.7928 11.7928 11.8406 11.8406 12.2691 12.2691 12.4259 12.4259 12.6951 12.6951 13.2690 13.2690 13.3510 13.3510 13.6951 13.6951 14.0030 14.0030 14.0852 14.0852 14.2068 14.2068 14.4326 14.4326 14.8888 14.8888 14.9203 14.9203 15.2842 15.2842 15.4292 15.4292 15.5098 15.5098 k = 0.3095 0.5000-0.0000 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0578 -30.0578 -30.0534 -30.0534 -1.7348 -1.7348 7.1059 7.1059 7.6759 7.6759 8.8479 8.8479 10.8619 10.8619 11.3320 11.3320 11.6451 11.6451 11.8035 11.8035 11.8378 11.8378 12.2572 12.2572 12.4181 12.4181 12.7091 12.7091 13.2564 13.2564 13.3389 13.3389 13.7238 13.7238 13.9767 13.9767 14.0815 14.0815 14.1922 14.1922 14.4137 14.4137 14.8476 14.8476 14.9477 14.9477 15.3136 15.3136 15.4419 15.4419 15.5269 15.5269 k = 0.3214 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0579 -30.0579 -30.0535 -30.0535 -1.7175 -1.7175 7.1064 7.1064 7.6129 7.6129 8.8384 8.8384 10.8962 10.8962 11.3380 11.3380 11.6741 11.6741 11.8176 11.8176 11.8355 11.8355 12.2476 12.2476 12.4102 12.4102 12.7231 12.7231 13.2448 13.2448 13.3270 13.3270 13.7522 13.7522 13.9467 13.9467 14.0805 14.0805 14.1770 14.1770 14.3951 14.3951 14.8058 14.8058 14.9748 14.9748 15.3426 15.3426 15.4539 15.4539 15.5430 15.5430 k = 0.3333 0.5000-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0580 -30.0580 -30.0535 -30.0535 -1.7007 -1.7007 7.1068 7.1068 7.5526 7.5526 8.8292 8.8292 10.9304 10.9304 11.3431 11.3431 11.6983 11.6983 11.8331 11.8331 11.8372 11.8372 12.2400 12.2400 12.4023 12.4023 12.7369 12.7369 13.2341 13.2341 13.3156 13.3156 13.7796 13.7796 13.9147 13.9147 14.0812 14.0812 14.1613 14.1613 14.3767 14.3767 14.7647 14.7647 15.0005 15.0005 15.3709 15.3709 15.4652 15.4652 15.5584 15.5584 k = 0.3452 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0580 -30.0580 -30.0536 -30.0536 -1.6845 -1.6845 7.1071 7.1071 7.4952 7.4952 8.8204 8.8204 10.9644 10.9644 11.3470 11.3470 11.7170 11.7170 11.8320 11.8320 11.8615 11.8615 12.2344 12.2344 12.3943 12.3943 12.7505 12.7505 13.2244 13.2244 13.3047 13.3047 13.8044 13.8044 13.8828 13.8828 14.0830 14.0830 14.1453 14.1453 14.3586 14.3586 14.7246 14.7246 15.0247 15.0247 15.3983 15.3983 15.4758 15.4758 15.5730 15.5730 k = 0.3571 0.5000-0.0000 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0581 -30.0581 -30.0536 -30.0536 -1.6689 -1.6689 7.1073 7.1073 7.4409 7.4409 8.8122 8.8122 10.9978 10.9978 11.3501 11.3501 11.7306 11.7306 11.8309 11.8309 11.8910 11.8910 12.2304 12.2304 12.3864 12.3864 12.7638 12.7638 13.2155 13.2155 13.2945 13.2945 13.8164 13.8164 13.8618 13.8618 14.0855 14.0855 14.1295 14.1295 14.3407 14.3407 14.6856 14.6856 15.0473 15.0473 15.4246 15.4246 15.4858 15.4858 15.5869 15.5869 k = 0.3690 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0582 -30.0582 -30.0537 -30.0537 -1.6542 -1.6542 7.1074 7.1074 7.3900 7.3900 8.8044 8.8044 11.0303 11.0303 11.3523 11.3523 11.7402 11.7402 11.8302 11.8302 11.9240 11.9240 12.2280 12.2280 12.3784 12.3784 12.7766 12.7766 13.2076 13.2076 13.2853 13.2853 13.7944 13.7944 13.8732 13.8732 14.0881 14.0881 14.1145 14.1145 14.3229 14.3229 14.6479 14.6479 15.0683 15.0683 15.4496 15.4496 15.4952 15.4952 15.6002 15.6002 k = 0.3810 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0583 -30.0583 -30.0537 -30.0537 -1.6404 -1.6404 7.1074 7.1074 7.3428 7.3428 8.7972 8.7972 11.0616 11.0616 11.3538 11.3538 11.7471 11.7471 11.8298 11.8298 11.9588 11.9588 12.2268 12.2268 12.3705 12.3705 12.7889 12.7889 13.2006 13.2006 13.2773 13.2773 13.7596 13.7596 13.8959 13.8959 14.0876 14.0876 14.1038 14.1038 14.3054 14.3054 14.6117 14.6117 15.0876 15.0876 15.4728 15.4728 15.5040 15.5040 15.6129 15.6129 k = 0.3929 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0583 -30.0583 -30.0537 -30.0537 -1.6276 -1.6276 7.1073 7.1073 7.2994 7.2994 8.7905 8.7905 11.0913 11.0913 11.3546 11.3546 11.7522 11.7522 11.8297 11.8297 11.9943 11.9943 12.2267 12.2267 12.3626 12.3626 12.8005 12.8005 13.1944 13.1944 13.2705 13.2705 13.7226 13.7226 13.9198 13.9198 14.0778 14.0778 14.1036 14.1036 14.2880 14.2880 14.5771 14.5771 15.1051 15.1051 15.4937 15.4937 15.5127 15.5127 15.6250 15.6250 k = 0.4048 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0584 -30.0584 -30.0538 -30.0538 -1.6158 -1.6158 7.1072 7.1072 7.2601 7.2601 8.7845 8.7845 11.1192 11.1192 11.3549 11.3549 11.7560 11.7560 11.8298 11.8298 12.0297 12.0297 12.2273 12.2273 12.3546 12.3546 12.8113 12.8113 13.1893 13.1893 13.2651 13.2651 13.6855 13.6855 13.9432 13.9432 14.0648 14.0648 14.1081 14.1081 14.2708 14.2708 14.5445 14.5445 15.1209 15.1209 15.5104 15.5104 15.5229 15.5229 15.6367 15.6367 k = 0.4167 0.5000-0.0000 ( 2622 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0584 -30.0584 -30.0538 -30.0538 -1.6052 -1.6052 7.1071 7.1071 7.2250 7.2250 8.7791 8.7791 11.1447 11.1447 11.3549 11.3549 11.7589 11.7589 11.8300 11.8300 12.0641 12.0641 12.2285 12.2285 12.3463 12.3463 12.8211 12.8211 13.1851 13.1851 13.2611 13.2611 13.6491 13.6491 13.9654 13.9654 14.0526 14.0526 14.1140 14.1140 14.2536 14.2536 14.5140 14.5140 15.1348 15.1348 15.5206 15.5206 15.5366 15.5366 15.6479 15.6479 k = 0.4286 0.5000-0.0000 ( 2618 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0585 -30.0585 -30.0538 -30.0538 -1.5959 -1.5959 7.1069 7.1069 7.1943 7.1943 8.7744 8.7744 11.1677 11.1677 11.3547 11.3547 11.7612 11.7612 11.8303 11.8303 12.0970 12.0970 12.2301 12.2301 12.3378 12.3378 12.8299 12.8299 13.1820 13.1820 13.2585 13.2585 13.6141 13.6141 13.9855 13.9855 14.0428 14.0428 14.1204 14.1204 14.2366 14.2366 14.4860 14.4860 15.1470 15.1470 15.5271 15.5271 15.5506 15.5506 15.6585 15.6585 k = 0.4405 0.5000-0.0000 ( 2622 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0585 -30.0585 -30.0539 -30.0539 -1.5879 -1.5879 7.1066 7.1066 7.1682 7.1682 8.7704 8.7704 11.1878 11.1878 11.3542 11.3542 11.7630 11.7630 11.8306 11.8306 12.1278 12.1278 12.2321 12.2321 12.3288 12.3288 12.8375 12.8375 13.1799 13.1799 13.2572 13.2572 13.5814 13.5814 14.0001 14.0001 14.0390 14.0390 14.1270 14.1270 14.2199 14.2199 14.4608 14.4608 15.1572 15.1572 15.5321 15.5321 15.5629 15.5629 15.6684 15.6684 k = 0.4524 0.5000-0.0000 ( 2618 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5812 -1.5812 7.1062 7.1062 7.1469 7.1469 8.7671 8.7671 11.2047 11.2047 11.3538 11.3538 11.7643 11.7643 11.8309 11.8309 12.1559 12.1559 12.2342 12.2342 12.3191 12.3191 12.8440 12.8440 13.1789 13.1789 13.2570 13.2570 13.5521 13.5521 14.0039 14.0039 14.0467 14.0467 14.1332 14.1332 14.2035 14.2035 14.4389 14.4389 15.1657 15.1657 15.5361 15.5361 15.5729 15.5729 15.6772 15.6772 k = 0.4643 0.5000-0.0000 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5760 -1.5760 7.1054 7.1054 7.1306 7.1306 8.7645 8.7645 11.2181 11.2181 11.3534 11.3534 11.7653 11.7653 11.8313 11.8313 12.1804 12.1804 12.2369 12.2369 12.3087 12.3087 12.8491 12.8491 13.1786 13.1786 13.2576 13.2576 13.5273 13.5273 14.0009 14.0009 14.0619 14.0619 14.1381 14.1381 14.1881 14.1881 14.4208 14.4208 15.1723 15.1723 15.5391 15.5391 15.5806 15.5806 15.6845 15.6845 k = 0.4762 0.5000-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5723 -1.5723 7.1040 7.1040 7.1198 7.1198 8.7626 8.7626 11.2278 11.2278 11.3530 11.3530 11.7660 11.7660 11.8315 11.8315 12.1999 12.1999 12.2409 12.2409 12.2977 12.2977 12.8527 12.8527 13.1787 13.1787 13.2586 13.2586 13.5082 13.5082 13.9970 13.9970 14.0784 14.0784 14.1403 14.1403 14.1749 14.1749 14.4072 14.4072 15.1770 15.1770 15.5413 15.5413 15.5859 15.5859 15.6901 15.6901 k = 0.4881 0.5000-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5700 -1.5700 7.1018 7.1018 7.1146 7.1146 8.7615 8.7615 11.2337 11.2337 11.3527 11.3527 11.7664 11.7664 11.8316 11.8316 12.2120 12.2120 12.2468 12.2468 12.2873 12.2873 12.8550 12.8550 13.1790 13.1790 13.2595 13.2595 13.4960 13.4960 13.9943 13.9943 14.0929 14.0929 14.1379 14.1379 14.1669 14.1669 14.3987 14.3987 15.1798 15.1798 15.5426 15.5426 15.5891 15.5891 15.6936 15.6936 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5692 -1.5692 7.1007 7.1007 7.1132 7.1132 8.7611 8.7611 11.2357 11.2357 11.3526 11.3526 11.7666 11.7666 11.8317 11.8317 12.2158 12.2158 12.2509 12.2509 12.2819 12.2819 12.8557 12.8557 13.1791 13.1791 13.2599 13.2599 13.4919 13.4919 13.9933 13.9933 14.0998 14.0998 14.1346 14.1346 14.1647 14.1647 14.3958 14.3958 15.1807 15.1807 15.5430 15.5430 15.5902 15.5902 15.6947 15.6947 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5692 -1.5692 7.1007 7.1007 7.1132 7.1132 8.7611 8.7611 11.2357 11.2357 11.3526 11.3526 11.7666 11.7666 11.8317 11.8317 12.2158 12.2158 12.2509 12.2509 12.2819 12.2819 12.8557 12.8557 13.1791 13.1791 13.2599 13.2599 13.4919 13.4919 13.9933 13.9933 14.0998 14.0998 14.1346 14.1346 14.1647 14.1647 14.3958 14.3958 15.1807 15.1807 15.5430 15.5430 15.5902 15.5902 15.6947 15.6947 k = 0.4915 0.4915-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5700 -1.5700 7.1020 7.1020 7.1145 7.1145 8.7615 8.7615 11.2336 11.2336 11.3528 11.3528 11.7664 11.7664 11.8316 11.8316 12.2122 12.2122 12.2464 12.2464 12.2875 12.2875 12.8549 12.8549 13.1790 13.1790 13.2596 13.2596 13.4961 13.4961 13.9943 13.9943 14.0927 14.0927 14.1383 14.1383 14.1667 14.1667 14.3987 14.3987 15.1798 15.1798 15.5426 15.5426 15.5891 15.5891 15.6936 15.6936 k = 0.4831 0.4831-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5723 -1.5723 7.1057 7.1057 7.1183 7.1183 8.7627 8.7627 11.2272 11.2272 11.3534 11.3534 11.7659 11.7659 11.8316 11.8316 12.2022 12.2022 12.2367 12.2367 12.2993 12.2993 12.8527 12.8527 13.1784 13.1784 13.2591 13.2591 13.5082 13.5082 13.9971 13.9971 14.0769 14.0769 14.1442 14.1442 14.1725 14.1725 14.4073 14.4073 15.1769 15.1769 15.5412 15.5412 15.5858 15.5858 15.6902 15.6902 k = 0.4746 0.4746-0.0000 ( 2620 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5761 -1.5761 7.1118 7.1118 7.1246 7.1246 8.7646 8.7646 11.2159 11.2159 11.3552 11.3552 11.7648 11.7648 11.8319 11.8319 12.1881 12.1881 12.2244 12.2244 12.3128 12.3128 12.8489 12.8489 13.1772 13.1772 13.2600 13.2600 13.5269 13.5269 14.0012 14.0012 14.0579 14.0579 14.1491 14.1491 14.1814 14.1814 14.4208 14.4208 15.1720 15.1720 15.5390 15.5390 15.5799 15.5799 15.6855 15.6855 k = 0.4661 0.4661-0.0000 ( 2614 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5815 -1.5815 7.1203 7.1203 7.1335 7.1335 8.7672 8.7672 11.1989 11.1989 11.3589 11.3589 11.7626 11.7626 11.8329 11.8329 12.1714 12.1714 12.2094 12.2094 12.3266 12.3266 12.8435 12.8435 13.1755 13.1755 13.2634 13.2634 13.5505 13.5505 14.0041 14.0041 14.0400 14.0400 14.1534 14.1534 14.1919 14.1919 14.4384 14.4384 15.1651 15.1651 15.5357 15.5357 15.5711 15.5711 15.6802 15.6802 k = 0.4576 0.4576-0.0000 ( 2620 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0585 -30.0585 -30.0539 -30.0539 -1.5883 -1.5883 7.1310 7.1310 7.1451 7.1451 8.7706 8.7706 11.1761 11.1761 11.3647 11.3647 11.7591 11.7591 11.8352 11.8352 12.1528 12.1528 12.1919 12.1919 12.3401 12.3401 12.8366 12.8366 13.1735 13.1735 13.2698 13.2698 13.5775 13.5775 13.9959 13.9959 14.0337 14.0337 14.1578 14.1578 14.2034 14.2034 14.4592 14.4592 15.1560 15.1560 15.5312 15.5312 15.5596 15.5596 15.6752 15.6752 k = 0.4492 0.4492-0.0000 ( 2620 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0585 -30.0585 -30.0538 -30.0538 -1.5966 -1.5966 7.1439 7.1439 7.1594 7.1594 8.7748 8.7748 11.1477 11.1477 11.3723 11.3723 11.7539 11.7539 11.8390 11.8390 12.1321 12.1321 12.1730 12.1730 12.3528 12.3528 12.8282 12.8282 13.1722 13.1722 13.2793 13.2793 13.6068 13.6068 13.9750 13.9750 14.0414 14.0414 14.1627 14.1627 14.2158 14.2158 14.4825 14.4825 15.1446 15.1446 15.5244 15.5244 15.5462 15.5462 15.6713 15.6713 k = 0.4407 0.4407-0.0000 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0584 -30.0584 -30.0538 -30.0538 -1.6063 -1.6063 7.1589 7.1589 7.1765 7.1765 8.7798 8.7798 11.1142 11.1142 11.3813 11.3813 11.7469 11.7469 11.8445 11.8445 12.1088 12.1088 12.1541 12.1541 12.3647 12.3647 12.8181 12.8181 13.1722 13.1722 13.2912 13.2912 13.6375 13.6375 13.9501 13.9501 14.0547 14.0547 14.1686 14.1686 14.2290 14.2290 14.5076 14.5076 15.1307 15.1307 15.5135 15.5135 15.5337 15.5337 15.6685 15.6685 k = 0.4322 0.4322-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0583 -30.0583 -30.0538 -30.0538 -1.6174 -1.6174 7.1760 7.1760 7.1964 7.1964 8.7856 8.7856 11.0761 11.0761 11.3908 11.3908 11.7382 11.7382 11.8517 11.8517 12.0819 12.0819 12.1370 12.1370 12.3754 12.3754 12.8065 12.8065 13.1742 13.1742 13.3053 13.3053 13.6687 13.6687 13.9240 13.9240 14.0711 14.0711 14.1755 14.1755 14.2432 14.2432 14.5340 14.5340 15.1142 15.1142 15.4970 15.4970 15.5241 15.5241 15.6668 15.6668 k = 0.4237 0.4237-0.0000 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0583 -30.0583 -30.0537 -30.0537 -1.6299 -1.6299 7.1951 7.1951 7.2189 7.2189 8.7921 8.7921 11.0339 11.0339 11.4000 11.4000 11.7279 11.7279 11.8601 11.8601 12.0515 12.0515 12.1230 12.1230 12.3848 12.3848 12.7932 12.7932 13.1784 13.1784 13.3210 13.3210 13.6996 13.6996 13.8979 13.8979 14.0900 14.0900 14.1836 14.1836 14.2584 14.2584 14.5615 14.5615 15.0950 15.0950 15.4774 15.4774 15.5160 15.5160 15.6660 15.6660 k = 0.4153 0.4153-0.0000 ( 2606 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0582 -30.0582 -30.0537 -30.0537 -1.6436 -1.6436 7.2162 7.2162 7.2442 7.2442 8.7994 8.7994 10.9882 10.9882 11.4079 11.4079 11.7162 11.7162 11.8694 11.8694 12.0183 12.0183 12.1128 12.1128 12.3929 12.3929 12.7783 12.7783 13.1851 13.1851 13.3379 13.3379 13.7290 13.7290 13.8726 13.8726 14.1110 14.1110 14.1931 14.1931 14.2745 14.2745 14.5898 14.5898 15.0729 15.0729 15.4568 15.4568 15.5079 15.5079 15.6659 15.6659 k = 0.4068 0.4068-0.0000 ( 2610 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0581 -30.0581 -30.0537 -30.0537 -1.6587 -1.6587 7.2393 7.2393 7.2721 7.2721 8.8075 8.8075 10.9395 10.9395 11.4136 11.4136 11.7030 11.7030 11.8780 11.8780 11.9842 11.9842 12.1068 12.1068 12.3999 12.3999 12.7618 12.7618 13.1942 13.1942 13.3557 13.3557 13.7546 13.7546 13.8505 13.8505 14.1337 14.1337 14.2044 14.2044 14.2916 14.2916 14.6186 14.6186 15.0479 15.0479 15.4362 15.4362 15.4995 15.4995 15.6663 15.6663 k = 0.3983 0.3983-0.0000 ( 2610 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0580 -30.0580 -30.0537 -30.0537 -1.6749 -1.6749 7.2644 7.2644 7.3026 7.3026 8.8165 8.8165 10.8883 10.8883 11.4161 11.4161 11.6885 11.6885 11.8813 11.8813 11.9545 11.9545 12.1053 12.1053 12.4058 12.4058 12.7437 12.7437 13.2058 13.2058 13.3741 13.3741 13.7686 13.7686 13.8396 13.8396 14.1574 14.1574 14.2180 14.2180 14.3097 14.3097 14.6478 14.6478 15.0203 15.0203 15.4164 15.4164 15.4907 15.4907 15.6670 15.6670 k = 0.3898 0.3898-0.0000 ( 2610 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0579 -30.0579 -30.0536 -30.0536 -1.6922 -1.6922 7.2914 7.2914 7.3357 7.3357 8.8262 8.8262 10.8348 10.8348 11.4149 11.4149 11.6726 11.6726 11.8667 11.8667 11.9424 11.9424 12.1083 12.1083 12.4110 12.4110 12.7241 12.7241 13.2197 13.2197 13.3927 13.3927 13.7608 13.7608 13.8499 13.8499 14.1814 14.1814 14.2345 14.2345 14.3286 14.3286 14.6773 14.6773 14.9902 14.9902 15.3978 15.3978 15.4813 15.4813 15.6679 15.6679 k = 0.3814 0.3814-0.0000 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0578 -30.0578 -30.0536 -30.0536 -1.7107 -1.7107 7.3203 7.3203 7.3713 7.3713 8.8368 8.8368 10.7795 10.7795 11.4094 11.4094 11.6552 11.6552 11.8329 11.8329 11.9494 11.9494 12.1154 12.1154 12.4163 12.4163 12.7030 12.7030 13.2359 13.2359 13.4114 13.4114 13.7402 13.7402 13.8728 13.8728 14.2047 14.2047 14.2548 14.2548 14.3483 14.3483 14.7071 14.7071 14.9578 14.9578 15.3803 15.3803 15.4714 15.4714 15.6688 15.6688 k = 0.3729 0.3729-0.0000 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0577 -30.0577 -30.0535 -30.0535 -1.7301 -1.7301 7.3511 7.3511 7.4093 7.4093 8.8482 8.8482 10.7228 10.7228 11.3997 11.3997 11.6362 11.6362 11.7913 11.7913 11.9643 11.9643 12.1257 12.1257 12.4225 12.4225 12.6804 12.6804 13.2542 13.2542 13.4299 13.4299 13.7159 13.7159 13.8994 13.8994 14.2265 14.2265 14.2792 14.2792 14.3687 14.3687 14.7370 14.7370 14.9237 14.9237 15.3643 15.3643 15.4610 15.4610 15.6696 15.6696 k = 0.3644 0.3644-0.0000 ( 2616 PWs) bands (ev): -63.3730 -63.3730 -33.9611 -33.9611 -30.0576 -30.0576 -30.0535 -30.0535 -1.7505 -1.7505 7.3836 7.3836 7.4498 7.4498 8.8604 8.8604 10.6648 10.6648 11.3858 11.3858 11.6158 11.6158 11.7466 11.7466 11.9823 11.9823 12.1376 12.1376 12.4309 12.4309 12.6566 12.6566 13.2743 13.2743 13.4478 13.4478 13.6909 13.6909 13.9270 13.9270 14.2473 14.2473 14.3069 14.3069 14.3898 14.3898 14.7669 14.7669 14.8881 14.8881 15.3495 15.3495 15.4501 15.4501 15.6701 15.6701 k = 0.3559 0.3559-0.0000 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9610 -33.9610 -30.0574 -30.0574 -30.0534 -30.0534 -1.7718 -1.7718 7.4178 7.4178 7.4927 7.4927 8.8734 8.8734 10.6060 10.6060 11.3681 11.3681 11.5939 11.5939 11.7006 11.7006 12.0017 12.0017 12.1492 12.1492 12.4433 12.4433 12.6317 12.6317 13.2962 13.2962 13.4648 13.4648 13.6663 13.6663 13.9551 13.9551 14.2680 14.2680 14.3370 14.3370 14.4114 14.4114 14.7969 14.7969 14.8516 14.8516 15.3359 15.3359 15.4388 15.4388 15.6702 15.6702 k = 0.3475 0.3475-0.0000 ( 2618 PWs) bands (ev): -63.3730 -63.3730 -33.9609 -33.9609 -30.0573 -30.0573 -30.0534 -30.0534 -1.7938 -1.7938 7.4537 7.4537 7.5378 7.5378 8.8873 8.8873 10.5466 10.5466 11.3471 11.3471 11.5706 11.5706 11.6538 11.6538 12.0215 12.0215 12.1583 12.1583 12.4613 12.4613 12.6060 12.6060 13.3196 13.3196 13.4801 13.4801 13.6431 13.6431 13.9833 13.9833 14.2891 14.2891 14.3684 14.3684 14.4336 14.4336 14.8145 14.8145 14.8269 14.8269 15.3234 15.3234 15.4271 15.4271 15.6699 15.6699 k = 0.3390 0.3390-0.0000 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9609 -33.9609 -30.0571 -30.0571 -30.0533 -30.0533 -1.8166 -1.8166 7.4911 7.4911 7.5852 7.5852 8.9021 8.9021 10.4868 10.4868 11.3232 11.3232 11.5457 11.5457 11.6072 11.6072 12.0406 12.0406 12.1635 12.1635 12.4864 12.4864 12.5800 12.5800 13.3441 13.3441 13.4927 13.4927 13.6228 13.6228 14.0117 14.0117 14.3112 14.3112 14.4005 14.4005 14.4563 14.4563 14.7775 14.7775 14.8568 14.8568 15.3120 15.3120 15.4151 15.4151 15.6689 15.6689 k = 0.3305 0.3305-0.0000 ( 2614 PWs) bands (ev): -63.3730 -63.3730 -33.9608 -33.9608 -30.0570 -30.0570 -30.0533 -30.0533 -1.8401 -1.8401 7.5301 7.5301 7.6348 7.6348 8.9177 8.9177 10.4268 10.4268 11.2967 11.2967 11.5185 11.5185 11.5618 11.5618 12.0578 12.0578 12.1640 12.1640 12.5175 12.5175 12.5554 12.5554 13.3694 13.3694 13.5006 13.5006 13.6078 13.6078 14.0402 14.0402 14.3344 14.3344 14.4327 14.4327 14.4793 14.4793 14.7408 14.7408 14.8865 14.8865 15.3015 15.3015 15.4027 15.4027 15.6671 15.6671 k = 0.3220 0.3220-0.0000 ( 2614 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0568 -30.0568 -30.0532 -30.0532 -1.8641 -1.8641 7.5704 7.5704 7.6866 7.6866 8.9342 8.9342 10.3669 10.3669 11.2682 11.2682 11.4863 11.4863 11.5208 11.5208 12.0712 12.0712 12.1609 12.1609 12.5236 12.5236 12.5635 12.5635 13.3946 13.3946 13.5013 13.5013 13.6012 13.6012 14.0690 14.0690 14.3590 14.3590 14.4646 14.4646 14.5027 14.5027 14.7049 14.7049 14.9162 14.9162 15.2919 15.2919 15.3902 15.3902 15.6645 15.6645 k = 0.3136 0.3136-0.0000 ( 2614 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0567 -30.0567 -30.0532 -30.0532 -1.8886 -1.8886 7.6121 7.6121 7.7403 7.7403 8.9515 8.9515 10.3074 10.3074 11.2380 11.2380 11.4464 11.4464 11.4871 11.4871 12.0779 12.0779 12.1564 12.1564 12.5012 12.5012 12.6076 12.6076 13.4176 13.4176 13.4960 13.4960 13.6039 13.6039 14.0980 14.0980 14.3850 14.3850 14.4956 14.4956 14.5263 14.5263 14.6705 14.6705 14.9456 14.9456 15.2830 15.2830 15.3774 15.3774 15.6608 15.6608 k = 0.3051 0.3051-0.0000 ( 2620 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0565 -30.0565 -30.0531 -30.0531 -1.9135 -1.9135 7.6549 7.6549 7.7961 7.7961 8.9697 8.9697 10.2483 10.2483 11.2064 11.2064 11.4016 11.4016 11.4583 11.4583 12.0751 12.0751 12.1527 12.1527 12.4803 12.4803 12.6576 12.6576 13.4320 13.4320 13.4936 13.4936 13.6136 13.6136 14.1272 14.1272 14.4123 14.4123 14.5252 14.5252 14.5492 14.5492 14.6390 14.6390 14.9748 14.9748 15.2750 15.2750 15.3645 15.3645 15.6558 15.6558 k = 0.2966 0.2966-0.0000 ( 2624 PWs) bands (ev): -63.3730 -63.3730 -33.9605 -33.9605 -30.0563 -30.0563 -30.0530 -30.0530 -1.9388 -1.9388 7.6989 7.6989 7.8538 7.8538 8.9887 8.9887 10.1899 10.1899 11.1736 11.1736 11.3551 11.3551 11.4313 11.4313 12.0624 12.0624 12.1492 12.1492 12.4637 12.4637 12.7109 12.7109 13.4286 13.4286 13.5060 13.5060 13.6276 13.6276 14.1567 14.1567 14.4410 14.4410 14.5531 14.5531 14.5662 14.5662 14.6163 14.6163 15.0037 15.0037 15.2676 15.2676 15.3515 15.3515 15.6495 15.6495 k = 0.2881 0.2881-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9604 -33.9604 -30.0561 -30.0561 -30.0530 -30.0530 -1.9644 -1.9644 7.7437 7.7437 7.9133 7.9133 9.0086 9.0086 10.1324 10.1324 11.1399 11.1399 11.3082 11.3082 11.4052 11.4052 12.0422 12.0422 12.1426 12.1426 12.4534 12.4534 12.7658 12.7658 13.4133 13.4133 13.5291 13.5291 13.6446 13.6446 14.1866 14.1866 14.4709 14.4709 14.5585 14.5585 14.5796 14.5796 14.6209 14.6209 15.0321 15.0321 15.2609 15.2609 15.3386 15.3386 15.6419 15.6419 k = 0.2797 0.2797-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9604 -33.9604 -30.0560 -30.0560 -30.0529 -30.0529 -1.9901 -1.9901 7.7894 7.7894 7.9745 7.9745 9.0294 9.0294 10.0760 10.0760 11.1055 11.1055 11.2615 11.2615 11.3794 11.3794 12.0168 12.0168 12.1298 12.1298 12.4503 12.4503 12.8208 12.8208 13.3939 13.3939 13.5559 13.5559 13.6641 13.6641 14.2167 14.2167 14.5003 14.5003 14.5376 14.5376 14.6044 14.6044 14.6436 14.6436 15.0601 15.0601 15.2550 15.2550 15.3258 15.3258 15.6326 15.6326 k = 0.2712 0.2712-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9603 -33.9603 -30.0558 -30.0558 -30.0528 -30.0528 -2.0160 -2.0160 7.8358 7.8358 8.0374 8.0374 9.0510 9.0510 10.0210 10.0210 11.0706 11.0706 11.2152 11.2152 11.3540 11.3540 11.9877 11.9877 12.1098 12.1098 12.4545 12.4545 12.8745 12.8745 13.3733 13.3733 13.5840 13.5840 13.6860 13.6860 14.2470 14.2470 14.5055 14.5055 14.5414 14.5414 14.6282 14.6282 14.6696 14.6696 15.0873 15.0873 15.2499 15.2499 15.3134 15.3134 15.6216 15.6216 k = 0.2627 0.2627-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0556 -30.0556 -30.0527 -30.0527 -2.0419 -2.0419 7.8826 7.8826 8.1018 8.1018 9.0735 9.0735 9.9674 9.9674 11.0354 11.0354 11.1695 11.1695 11.3289 11.3289 11.9558 11.9558 12.0832 12.0832 12.4649 12.4649 12.9254 12.9254 13.3525 13.3525 13.6130 13.6130 13.7104 13.7104 14.2772 14.2772 14.4858 14.4858 14.5734 14.5734 14.6512 14.6512 14.6962 14.6962 15.1135 15.1135 15.2456 15.2456 15.3015 15.3015 15.6089 15.6089 k = 0.2542 0.2542-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9601 -33.9601 -30.0554 -30.0554 -30.0527 -30.0527 -2.0677 -2.0677 7.9297 7.9297 8.1677 8.1677 9.0968 9.0968 9.9157 9.9157 11.0000 11.0000 11.1244 11.1244 11.3041 11.3041 11.9217 11.9217 12.0510 12.0510 12.4801 12.4801 12.9719 12.9719 13.3319 13.3319 13.6432 13.6432 13.7372 13.7372 14.3072 14.3072 14.4674 14.4674 14.6085 14.6085 14.6736 14.6736 14.7225 14.7225 15.1381 15.1381 15.2422 15.2422 15.2907 15.2907 15.5944 15.5944 k = 0.2458 0.2458-0.0000 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9600 -33.9600 -30.0552 -30.0552 -30.0526 -30.0526 -2.0935 -2.0935 7.9768 7.9768 8.2349 8.2349 9.1209 9.1209 9.8659 9.8659 10.9645 10.9645 11.0802 11.0802 11.2798 11.2798 11.8858 11.8858 12.0146 12.0146 12.4987 12.4987 13.0126 13.0126 13.3120 13.3120 13.6748 13.6748 13.7661 13.7661 14.3359 14.3359 14.4534 14.4534 14.6450 14.6450 14.6956 14.6956 14.7481 14.7481 15.1601 15.1601 15.2395 15.2395 15.2821 15.2821 15.5780 15.5780 k = 0.2373 0.2373-0.0000 ( 2630 PWs) bands (ev): -63.3731 -63.3731 -33.9599 -33.9599 -30.0550 -30.0550 -30.0525 -30.0525 -2.1191 -2.1191 8.0238 8.0238 8.3033 8.3033 9.1458 9.1458 9.8184 9.8184 10.9292 10.9292 11.0368 11.0368 11.2558 11.2558 11.8484 11.8484 11.9749 11.9749 12.5194 12.5194 13.0464 13.0464 13.2930 13.2930 13.7083 13.7083 13.7967 13.7967 14.3615 14.3615 14.4462 14.4462 14.6823 14.6823 14.7173 14.7173 14.7729 14.7729 15.1781 15.1781 15.2367 15.2367 15.2783 15.2783 15.5597 15.5597 k = 0.2288 0.2288-0.0000 ( 2626 PWs) bands (ev): -63.3731 -63.3731 -33.9598 -33.9598 -30.0548 -30.0548 -30.0525 -30.0525 -2.1444 -2.1444 8.0704 8.0704 8.3728 8.3728 9.1716 9.1716 9.7734 9.7734 10.8940 10.8940 10.9943 10.9943 11.2323 11.2323 11.8097 11.8097 11.9328 11.9328 12.5417 12.5417 13.0724 13.0724 13.2752 13.2752 13.7432 13.7432 13.8287 13.8287 14.3802 14.3802 14.4505 14.4505 14.7191 14.7191 14.7400 14.7400 14.7968 14.7968 15.1906 15.1906 15.2318 15.2318 15.2826 15.2826 15.5397 15.5397 k = 0.2203 0.2203-0.0000 ( 2626 PWs) bands (ev): -63.3732 -63.3732 -33.9597 -33.9597 -30.0546 -30.0546 -30.0524 -30.0524 -2.1694 -2.1694 8.1162 8.1162 8.4432 8.4432 9.1981 9.1981 9.7312 9.7312 10.8591 10.8591 10.9528 10.9528 11.2093 11.2093 11.7700 11.7700 11.8887 11.8887 12.5649 12.5649 13.0904 13.0904 13.2588 13.2588 13.7789 13.7789 13.8618 13.8618 14.3907 14.3907 14.4682 14.4682 14.7498 14.7498 14.7690 14.7690 14.8198 14.8198 15.1976 15.1976 15.2245 15.2245 15.2954 15.2954 15.5179 15.5179 k = 0.2119 0.2119-0.0000 ( 2630 PWs) bands (ev): -63.3732 -63.3732 -33.9597 -33.9597 -30.0544 -30.0544 -30.0523 -30.0523 -2.1941 -2.1941 8.1610 8.1610 8.5144 8.5144 9.2253 9.2253 9.6921 9.6921 10.8247 10.8247 10.9122 10.9122 11.1868 11.1868 11.7295 11.7295 11.8431 11.8431 12.5885 12.5885 13.1008 13.1008 13.2439 13.2439 13.8140 13.8140 13.8950 13.8950 14.3989 14.3989 14.4945 14.4945 14.7720 14.7720 14.8063 14.8063 14.8417 14.8417 15.2009 15.2009 15.2161 15.2161 15.3137 15.3137 15.4945 15.4945 k = 0.2034 0.2034-0.0000 ( 2622 PWs) bands (ev): -63.3732 -63.3732 -33.9596 -33.9596 -30.0542 -30.0542 -30.0522 -30.0522 -2.2183 -2.2183 8.2044 8.2044 8.5862 8.5862 9.2533 9.2533 9.6566 9.6566 10.7908 10.7908 10.8728 10.8728 11.1649 11.1649 11.6883 11.6883 11.7965 11.7965 12.6122 12.6122 13.1042 13.1042 13.2304 13.2304 13.8475 13.8475 13.9273 13.9273 14.4107 14.4107 14.5246 14.5246 14.7915 14.7915 14.8460 14.8460 14.8629 14.8629 15.2017 15.2017 15.2086 15.2086 15.3348 15.3348 15.4699 15.4699 k = 0.1949 0.1949-0.0000 ( 2618 PWs) bands (ev): -63.3732 -63.3732 -33.9595 -33.9595 -30.0540 -30.0540 -30.0522 -30.0522 -2.2420 -2.2420 8.2459 8.2459 8.6586 8.6586 9.2820 9.2820 9.6249 9.6249 10.7575 10.7575 10.8345 10.8345 11.1436 11.1436 11.6464 11.6464 11.7489 11.7489 12.6358 12.6358 13.1020 13.1020 13.2179 13.2179 13.8786 13.8786 13.9568 13.9568 14.4292 14.4292 14.5563 14.5563 14.8097 14.8097 14.8805 14.8805 14.8887 14.8887 15.1971 15.1971 15.2063 15.2063 15.3571 15.3571 15.4441 15.4441 k = 0.1864 0.1864-0.0000 ( 2610 PWs) bands (ev): -63.3732 -63.3732 -33.9594 -33.9594 -30.0538 -30.0538 -30.0521 -30.0521 -2.2652 -2.2652 8.2851 8.2851 8.7312 8.7312 9.3114 9.3114 9.5974 9.5974 10.7249 10.7249 10.7974 10.7974 11.1229 11.1229 11.6042 11.6042 11.7007 11.7007 12.6590 12.6590 13.0955 13.0955 13.2060 13.2060 13.9068 13.9068 13.9819 13.9819 14.4559 14.4559 14.5888 14.5888 14.8271 14.8271 14.9005 14.9005 14.9275 14.9275 15.1907 15.1907 15.2072 15.2072 15.3798 15.3798 15.4177 15.4177 k = 0.1780 0.1780-0.0000 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9593 -33.9593 -30.0536 -30.0536 -30.0520 -30.0520 -2.2877 -2.2877 8.3216 8.3216 8.8040 8.8040 9.3413 9.3413 9.5746 9.5746 10.6930 10.6930 10.7614 10.7614 11.1029 11.1029 11.5616 11.5616 11.6521 11.6521 12.6816 12.6816 13.0861 13.0861 13.1940 13.1940 13.9320 13.9320 14.0012 14.0012 14.4906 14.4906 14.6217 14.6217 14.8436 14.8436 14.9185 14.9185 14.9658 14.9658 15.1857 15.1857 15.2089 15.2089 15.3909 15.3909 15.4027 15.4027 k = 0.1695 0.1695-0.0000 ( 2610 PWs) bands (ev): -63.3732 -63.3732 -33.9592 -33.9592 -30.0534 -30.0534 -30.0519 -30.0519 -2.3095 -2.3095 8.3551 8.3551 8.8766 8.8766 9.3718 9.3718 9.5567 9.5567 10.6620 10.6620 10.7266 10.7266 11.0836 11.0836 11.5188 11.5188 11.6032 11.6032 12.7036 12.7036 13.0750 13.0750 13.1819 13.1819 13.9542 13.9542 14.0148 14.0148 14.5323 14.5323 14.6549 14.6549 14.8594 14.8594 14.9352 14.9352 15.0014 15.0014 15.1836 15.1836 15.2113 15.2113 15.3651 15.3651 15.4250 15.4250 k = 0.1610 0.1610-0.0000 ( 2610 PWs) bands (ev): -63.3732 -63.3732 -33.9591 -33.9591 -30.0532 -30.0532 -30.0519 -30.0519 -2.3307 -2.3307 8.3850 8.3850 8.9490 8.9490 9.4028 9.4028 9.5442 9.5442 10.6319 10.6319 10.6930 10.6930 11.0651 11.0651 11.4758 11.4758 11.5542 11.5542 12.7248 12.7248 13.0627 13.0627 13.1694 13.1694 13.9732 13.9732 14.0233 14.0233 14.5789 14.5789 14.6882 14.6882 14.8744 14.8744 14.9509 14.9509 15.0319 15.0319 15.1859 15.1859 15.2149 15.2149 15.3409 15.3409 15.4470 15.4470 k = 0.1525 0.1525-0.0000 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9591 -33.9591 -30.0530 -30.0530 -30.0518 -30.0518 -2.3510 -2.3510 8.4111 8.4111 9.0209 9.0209 9.4342 9.4342 9.5373 9.5373 10.6028 10.6028 10.6607 10.6607 11.0473 11.0473 11.4329 11.4329 11.5053 11.5053 12.7451 12.7451 13.0498 13.0498 13.1566 13.1566 13.9887 13.9887 14.0278 14.0278 14.6281 14.6281 14.7217 14.7217 14.8886 14.8886 14.9655 14.9655 15.0545 15.0545 15.1918 15.1918 15.2217 15.2217 15.3202 15.3202 15.4685 15.4685 k = 0.1441 0.1441-0.0000 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9590 -33.9590 -30.0528 -30.0528 -30.0517 -30.0517 -2.3705 -2.3705 8.4332 8.4332 9.0920 9.0920 9.4659 9.4659 9.5361 9.5361 10.5748 10.5748 10.6296 10.6296 11.0303 11.0303 11.3901 11.3901 11.4567 11.4567 12.7645 12.7645 13.0368 13.0368 13.1436 13.1436 14.0003 14.0003 14.0298 14.0298 14.6771 14.6771 14.7557 14.7557 14.9021 14.9021 14.9791 14.9791 15.0681 15.0681 15.1949 15.1949 15.2373 15.2373 15.3061 15.3061 15.4894 15.4894 k = 0.1356 0.1356-0.0000 ( 2606 PWs) bands (ev): -63.3732 -63.3732 -33.9589 -33.9589 -30.0527 -30.0527 -30.0517 -30.0517 -2.3892 -2.3892 8.4511 8.4511 9.1621 9.1621 9.4978 9.4978 9.5407 9.5407 10.5479 10.5479 10.5997 10.5997 11.0141 11.0141 11.3474 11.3474 11.4085 11.4085 12.7827 12.7827 13.0239 13.0239 13.1307 13.1307 14.0072 14.0072 14.0308 14.0308 14.7235 14.7235 14.7904 14.7904 14.9148 14.9148 14.9915 14.9915 15.0743 15.0743 15.1894 15.1894 15.2632 15.2632 15.3017 15.3017 15.5098 15.5098 k = 0.1271 0.1271-0.0000 ( 2604 PWs) bands (ev): -63.3732 -63.3732 -33.9588 -33.9588 -30.0525 -30.0525 -30.0516 -30.0516 -2.4069 -2.4069 8.4651 8.4651 9.2310 9.2310 9.5294 9.5294 9.5511 9.5511 10.5222 10.5222 10.5711 10.5711 10.9987 10.9987 11.3050 11.3050 11.3610 11.3610 12.7999 12.7999 13.0113 13.0113 13.1180 13.1180 14.0089 14.0089 14.0321 14.0321 14.7652 14.7652 14.8257 14.8257 14.9267 14.9267 15.0028 15.0028 15.0761 15.0761 15.1771 15.1771 15.2930 15.2930 15.3095 15.3095 15.5294 15.5294 k = 0.1186 0.1186-0.0000 ( 2604 PWs) bands (ev): -63.3732 -63.3732 -33.9588 -33.9588 -30.0523 -30.0523 -30.0516 -30.0516 -2.4237 -2.4237 8.4753 8.4753 9.2982 9.2982 9.5584 9.5584 9.5691 9.5691 10.4977 10.4977 10.5436 10.5436 10.9842 10.9842 11.2630 11.2630 11.3143 11.3143 12.8158 12.8158 12.9990 12.9990 13.1057 13.1057 14.0065 14.0065 14.0329 14.0329 14.8015 14.8015 14.8607 14.8607 14.9378 14.9378 15.0130 15.0130 15.0758 15.0758 15.1613 15.1613 15.3152 15.3152 15.3361 15.3361 15.5484 15.5484 k = 0.1102 0.1102-0.0000 ( 2606 PWs) bands (ev): -63.3732 -63.3732 -33.9587 -33.9587 -30.0522 -30.0522 -30.0515 -30.0515 -2.4395 -2.4395 8.4820 8.4820 9.3637 9.3637 9.5816 9.5816 9.5974 9.5974 10.4745 10.4745 10.5174 10.5174 10.9706 10.9706 11.2215 11.2215 11.2687 11.2687 12.8305 12.8305 12.9872 12.9872 13.0941 13.0941 14.0017 14.0017 14.0322 14.0322 14.8331 14.8331 14.8933 14.8933 14.9483 14.9483 15.0219 15.0219 15.0746 15.0746 15.1449 15.1449 15.3363 15.3363 15.3710 15.3710 15.5667 15.5667 k = 0.1017 0.1017-0.0000 ( 2596 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0520 -30.0520 -30.0514 -30.0514 -2.4542 -2.4542 8.4859 8.4859 9.4270 9.4270 9.6053 9.6053 9.6287 9.6287 10.4526 10.4526 10.4925 10.4925 10.9578 10.9578 11.1807 11.1807 11.2244 11.2244 12.8438 12.8438 12.9760 12.9760 13.0832 13.0832 13.9958 13.9958 14.0293 14.0293 14.8608 14.8608 14.9213 14.9213 14.9584 14.9584 15.0297 15.0297 15.0736 15.0736 15.1296 15.1296 15.3615 15.3615 15.4065 15.4065 15.5844 15.5844 k = 0.0932 0.0932-0.0000 ( 2596 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0519 -30.0519 -30.0514 -30.0514 -2.4679 -2.4679 8.4872 8.4872 9.4878 9.4878 9.6316 9.6316 9.6600 9.6600 10.4320 10.4320 10.4688 10.4688 10.9459 10.9459 11.1407 11.1407 11.1817 11.1817 12.8557 12.8557 12.9654 12.9654 13.0733 13.0733 13.9892 13.9892 14.0242 14.0242 14.8854 14.8854 14.9432 14.9432 14.9683 14.9683 15.0365 15.0365 15.0731 15.0731 15.1163 15.1163 15.3901 15.3901 15.4409 15.4409 15.6016 15.6016 k = 0.0847 0.0847-0.0000 ( 2592 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0518 -30.0518 -30.0514 -30.0514 -2.4806 -2.4806 8.4867 8.4867 9.5457 9.5457 9.6599 9.6599 9.6908 9.6908 10.4129 10.4129 10.4462 10.4462 10.9349 10.9349 11.1019 11.1019 11.1408 11.1408 12.8662 12.8662 12.9555 12.9555 13.0645 13.0645 13.9825 13.9825 14.0171 14.0171 14.9071 14.9071 14.9585 14.9585 14.9782 14.9782 15.0424 15.0424 15.0734 15.0734 15.1059 15.1059 15.4210 15.4210 15.4734 15.4734 15.6183 15.6183 k = 0.0763 0.0763-0.0000 ( 2600 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0517 -30.0517 -30.0513 -30.0513 -2.4921 -2.4921 8.4847 8.4847 9.6004 9.6004 9.6896 9.6896 9.7207 9.7207 10.3952 10.3952 10.4248 10.4248 10.9248 10.9248 11.0645 11.0645 11.1020 11.1020 12.8752 12.8752 12.9462 12.9462 13.0567 13.0567 13.9757 13.9757 14.0083 14.0083 14.9261 14.9261 14.9684 14.9684 14.9868 14.9868 15.0480 15.0480 15.0739 15.0739 15.0991 15.0991 15.4527 15.4527 15.5033 15.5033 15.6348 15.6348 k = 0.0678 0.0678-0.0000 ( 2588 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0515 -30.0515 -30.0513 -30.0513 -2.5024 -2.5024 8.4818 8.4818 9.6515 9.6515 9.7198 9.7198 9.7494 9.7494 10.3789 10.3789 10.4047 10.4047 10.9156 10.9156 11.0290 11.0290 11.0658 11.0658 12.8828 12.8828 12.9378 12.9378 13.0502 13.0502 13.9692 13.9692 13.9984 13.9984 14.9424 14.9424 14.9752 14.9752 14.9928 14.9928 15.0533 15.0533 15.0740 15.0740 15.0965 15.0965 15.4839 15.4839 15.5301 15.5301 15.6512 15.6512 k = 0.0593 0.0593-0.0000 ( 2588 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0515 -30.0515 -30.0512 -30.0512 -2.5116 -2.5116 8.4784 8.4784 9.6986 9.6986 9.7495 9.7495 9.7766 9.7766 10.3642 10.3642 10.3859 10.3859 10.9071 10.9071 10.9956 10.9956 11.0326 11.0326 12.8890 12.8890 12.9302 12.9302 13.0449 13.0449 13.9631 13.9631 13.9880 13.9880 14.9562 14.9562 14.9799 14.9799 14.9960 14.9960 15.0583 15.0583 15.0735 15.0735 15.0976 15.0976 15.5135 15.5135 15.5533 15.5533 15.6673 15.6673 k = 0.0508 0.0508-0.0000 ( 2580 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0514 -30.0514 -30.0512 -30.0512 -2.5196 -2.5196 8.4747 8.4747 9.7412 9.7412 9.7780 9.7780 9.8019 9.8019 10.3510 10.3510 10.3685 10.3685 10.8993 10.8993 10.9651 10.9651 11.0027 11.0027 12.8939 12.8939 12.9235 12.9235 13.0408 13.0408 13.9575 13.9575 13.9775 13.9775 14.9674 14.9674 14.9832 14.9832 14.9971 14.9971 15.0629 15.0629 15.0731 15.0731 15.1010 15.1010 15.5406 15.5406 15.5729 15.5729 15.6831 15.6831 k = 0.0424 0.0424-0.0000 ( 2574 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0513 -30.0513 -30.0512 -30.0512 -2.5264 -2.5264 8.4711 8.4711 9.7786 9.7786 9.8041 9.8041 9.8250 9.8250 10.3394 10.3394 10.3527 10.3527 10.8922 10.8922 10.9378 10.9378 10.9768 10.9768 12.8976 12.8976 12.9178 12.9178 13.0376 13.0376 13.9526 13.9526 13.9674 13.9674 14.9764 14.9764 14.9856 14.9856 14.9972 14.9972 15.0667 15.0667 15.0731 15.0731 15.1053 15.1053 15.5645 15.5645 15.5886 15.5886 15.6980 15.6980 k = 0.0339 0.0339-0.0000 ( 2575 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0512 -30.0512 -30.0512 -30.0512 -2.5320 -2.5320 8.4679 8.4679 9.8104 9.8104 9.8268 9.8268 9.8455 9.8455 10.3296 10.3296 10.3388 10.3388 10.8857 10.8857 10.9144 10.9144 10.9553 10.9553 12.9003 12.9003 12.9130 12.9130 13.0353 13.0353 13.9485 13.9485 13.9585 13.9585 14.9831 14.9831 14.9873 14.9873 14.9967 14.9967 15.0698 15.0698 15.0736 15.0736 15.1097 15.1097 15.5846 15.5846 15.6009 15.6009 15.7114 15.7114 k = 0.0254 0.0254-0.0000 ( 2575 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0512 -30.0512 -30.0512 -30.0512 -2.5363 -2.5363 8.4652 8.4652 9.8358 9.8358 9.8451 9.8451 9.8630 9.8630 10.3217 10.3217 10.3272 10.3272 10.8797 10.8797 10.8954 10.8954 10.9389 10.9389 12.9022 12.9022 12.9092 12.9092 13.0338 13.0338 13.9451 13.9451 13.9510 13.9510 14.9868 14.9868 14.9895 14.9895 14.9961 14.9961 15.0723 15.0723 15.0742 15.0742 15.1135 15.1135 15.6005 15.6005 15.6101 15.6101 15.7226 15.7226 k = 0.0169 0.0169-0.0000 ( 2575 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0512 -30.0512 -30.0511 -30.0511 -2.5395 -2.5395 8.4632 8.4632 9.8544 9.8544 9.8585 9.8585 9.8767 9.8767 10.3158 10.3158 10.3184 10.3184 10.8747 10.8747 10.8814 10.8814 10.9275 10.9275 12.9034 12.9034 12.9065 12.9065 13.0329 13.0329 13.9427 13.9427 13.9454 13.9454 14.9879 14.9879 14.9925 14.9925 14.9955 14.9955 15.0740 15.0740 15.0748 15.0748 15.1165 15.1165 15.6120 15.6120 15.6164 15.6164 15.7311 15.7311 k = 0.0085 0.0085-0.0000 ( 2571 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5413 -2.5413 8.4619 8.4619 9.8656 9.8656 9.8666 9.8666 9.8856 9.8856 10.3123 10.3123 10.3129 10.3129 10.8711 10.8711 10.8728 10.8728 10.9210 10.9210 12.9041 12.9041 12.9049 12.9049 13.0323 13.0323 13.9413 13.9413 13.9420 13.9420 14.9882 14.9882 14.9944 14.9944 14.9952 14.9952 15.0751 15.0751 15.0753 15.0753 15.1184 15.1184 15.6189 15.6189 15.6201 15.6201 15.7364 15.7364 k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5419 -2.5419 8.4615 8.4615 9.8693 9.8693 9.8693 9.8693 9.8887 9.8887 10.3111 10.3111 10.3111 10.3111 10.8700 10.8700 10.8700 10.8700 10.9190 10.9190 12.9043 12.9043 12.9043 12.9043 13.0322 13.0322 13.9408 13.9408 13.9408 13.9408 14.9883 14.9883 14.9951 14.9951 14.9951 14.9951 15.0755 15.0755 15.0755 15.0755 15.1191 15.1191 15.6213 15.6213 15.6213 15.6213 15.7383 15.7383 k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5419 -2.5419 8.4615 8.4615 9.8693 9.8693 9.8693 9.8693 9.8887 9.8887 10.3111 10.3111 10.3111 10.3111 10.8700 10.8700 10.8700 10.8700 10.9190 10.9190 12.9043 12.9043 12.9043 12.9043 13.0322 13.0322 13.9408 13.9408 13.9408 13.9408 14.9883 14.9883 14.9951 14.9951 14.9951 14.9951 15.0755 15.0755 15.0755 15.0755 15.1191 15.1191 15.6213 15.6213 15.6213 15.6213 15.7383 15.7383 k = 0.0069 0.0069 0.0069 ( 2571 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5413 -2.5413 8.4619 8.4619 9.8657 9.8657 9.8664 9.8664 9.8855 9.8855 10.3125 10.3125 10.3127 10.3127 10.8712 10.8712 10.8728 10.8728 10.9211 10.9211 12.9041 12.9041 12.9048 12.9048 13.0323 13.0323 13.9416 13.9416 13.9417 13.9417 14.9882 14.9882 14.9943 14.9943 14.9952 14.9952 15.0750 15.0750 15.0753 15.0753 15.1184 15.1184 15.6191 15.6191 15.6199 15.6199 15.7364 15.7364 k = 0.0139 0.0139 0.0139 ( 2571 PWs) bands (ev): -63.3732 -63.3732 -33.9582 -33.9582 -30.0511 -30.0511 -30.0511 -30.0511 -2.5394 -2.5394 8.4632 8.4632 9.8552 9.8552 9.8577 9.8577 9.8764 9.8764 10.3170 10.3170 10.3174 10.3174 10.8750 10.8750 10.8811 10.8811 10.9277 10.9277 12.9036 12.9036 12.9063 12.9063 13.0329 13.0329 13.9439 13.9439 13.9443 13.9443 14.9878 14.9878 14.9923 14.9923 14.9957 14.9957 15.0740 15.0740 15.0748 15.0748 15.1165 15.1165 15.6126 15.6126 15.6157 15.6157 15.7310 15.7310 k = 0.0208 0.0208 0.0208 ( 2571 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0512 -30.0512 -30.0512 -30.0512 -2.5363 -2.5363 8.4653 8.4653 9.8380 9.8380 9.8432 9.8432 9.8621 9.8621 10.3241 10.3241 10.3251 10.3251 10.8813 10.8813 10.8935 10.8935 10.9396 10.9396 12.9026 12.9026 12.9088 12.9088 13.0338 13.0338 13.9477 13.9477 13.9486 13.9486 14.9866 14.9866 14.9892 14.9892 14.9964 14.9964 15.0724 15.0724 15.0742 15.0742 15.1136 15.1136 15.6017 15.6017 15.6088 15.6088 15.7223 15.7223 k = 0.0278 0.0278 0.0278 ( 2577 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0512 -30.0512 -30.0512 -30.0512 -2.5319 -2.5319 8.4681 8.4681 9.8147 9.8147 9.8228 9.8228 9.8437 9.8437 10.3337 10.3337 10.3353 10.3353 10.8899 10.8899 10.9081 10.9081 10.9580 10.9580 12.9011 12.9011 12.9123 12.9123 13.0353 13.0353 13.9528 13.9528 13.9544 13.9544 14.9823 14.9823 14.9870 14.9870 14.9970 14.9970 15.0705 15.0705 15.0733 15.0733 15.1098 15.1098 15.5863 15.5863 15.5994 15.5994 15.7106 15.7106 k = 0.0347 0.0347 0.0347 ( 2577 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0513 -30.0513 -30.0512 -30.0512 -2.5263 -2.5263 8.4716 8.4716 9.7860 9.7860 9.7965 9.7965 9.8226 9.8226 10.3454 10.3454 10.3477 10.3477 10.9007 10.9007 10.9235 10.9235 10.9834 10.9834 12.8989 12.8989 12.9167 12.9167 13.0374 13.0374 13.9590 13.9590 13.9614 13.9614 14.9754 14.9754 14.9848 14.9848 14.9971 14.9971 15.0689 15.0689 15.0721 15.0721 15.1058 15.1058 15.5664 15.5664 15.5877 15.5877 15.6963 15.6963 k = 0.0417 0.0417 0.0417 ( 2577 PWs) bands (ev): -63.3732 -63.3732 -33.9583 -33.9583 -30.0513 -30.0513 -30.0513 -30.0513 -2.5194 -2.5194 8.4756 8.4756 9.7523 9.7523 9.7647 9.7647 9.7998 9.7998 10.3590 10.3590 10.3620 10.3620 10.9135 10.9135 10.9394 10.9394 11.0151 11.0151 12.8959 12.8959 12.9221 12.9221 13.0404 13.0404 13.9661 13.9661 13.9696 13.9696 14.9666 14.9666 14.9812 14.9812 14.9958 14.9958 15.0681 15.0681 15.0709 15.0709 15.1019 15.1019 15.5418 15.5418 15.5738 15.5738 15.6800 15.6800 k = 0.0486 0.0486 0.0486 ( 2589 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0514 -30.0514 -30.0513 -30.0513 -2.5113 -2.5113 8.4800 8.4800 9.7143 9.7143 9.7281 9.7281 9.7759 9.7759 10.3743 10.3743 10.3779 10.3779 10.9282 10.9282 10.9560 10.9560 11.0520 11.0520 12.8919 12.8919 12.9283 12.9283 13.0442 13.0442 13.9736 13.9736 13.9784 13.9784 14.9558 14.9558 14.9755 14.9755 14.9924 14.9924 15.0693 15.0693 15.0698 15.0698 15.0989 15.0989 15.5126 15.5126 15.5582 15.5582 15.6622 15.6622 k = 0.0556 0.0556 0.0556 ( 2595 PWs) bands (ev): -63.3732 -63.3732 -33.9584 -33.9584 -30.0515 -30.0515 -30.0514 -30.0514 -2.5020 -2.5020 8.4846 8.4846 9.6725 9.6725 9.6873 9.6873 9.7517 9.7517 10.3911 10.3911 10.3953 10.3953 10.9445 10.9445 10.9737 10.9737 11.0931 11.0931 12.8867 12.8867 12.9354 12.9354 13.0491 13.0491 13.9813 13.9813 13.9876 13.9876 14.9429 14.9429 14.9671 14.9671 14.9859 14.9859 15.0688 15.0688 15.0730 15.0730 15.0973 15.0973 15.4789 15.4789 15.5411 15.5411 15.6436 15.6436 k = 0.0625 0.0625 0.0625 ( 2589 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0515 -30.0515 -30.0514 -30.0514 -2.4915 -2.4915 8.4892 8.4892 9.6272 9.6272 9.6428 9.6428 9.7276 9.7276 10.4095 10.4095 10.4142 10.4142 10.9624 10.9624 10.9925 10.9925 11.1373 11.1373 12.8804 12.8804 12.9433 12.9433 13.0551 13.0551 13.9889 13.9889 13.9970 13.9970 14.9278 14.9278 14.9555 14.9555 14.9761 14.9761 15.0679 15.0679 15.0798 15.0798 15.0976 15.0976 15.4410 15.4410 15.5232 15.5232 15.6247 15.6247 k = 0.0694 0.0694 0.0694 ( 2596 PWs) bands (ev): -63.3732 -63.3732 -33.9585 -33.9585 -30.0516 -30.0516 -30.0515 -30.0515 -2.4798 -2.4798 8.4935 8.4935 9.5788 9.5788 9.5951 9.5951 9.7044 9.7044 10.4294 10.4294 10.4344 10.4344 10.9816 10.9816 11.0123 11.0123 11.1842 11.1842 12.8728 12.8728 12.9519 12.9519 13.0621 13.0621 13.9959 13.9959 14.0060 14.0060 14.9102 14.9102 14.9406 14.9406 14.9629 14.9629 15.0670 15.0670 15.0894 15.0894 15.0999 15.0999 15.3992 15.3992 15.5046 15.5046 15.6061 15.6061 k = 0.0764 0.0764 0.0764 ( 2596 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0517 -30.0517 -30.0516 -30.0516 -2.4669 -2.4669 8.4973 8.4973 9.5277 9.5277 9.5444 9.5444 9.6826 9.6826 10.4507 10.4507 10.4560 10.4560 11.0021 11.0021 11.0331 11.0331 11.2330 11.2330 12.8640 12.8640 12.9612 12.9612 13.0701 13.0701 14.0020 14.0020 14.0144 14.0144 14.8900 14.8900 14.9227 14.9227 14.9463 14.9463 15.0659 15.0659 15.1017 15.1017 15.1037 15.1037 15.3544 15.3544 15.4861 15.4861 15.5886 15.5886 k = 0.0833 0.0833 0.0833 ( 2602 PWs) bands (ev): -63.3732 -63.3732 -33.9586 -33.9586 -30.0518 -30.0518 -30.0517 -30.0517 -2.4529 -2.4529 8.5003 8.5003 9.4741 9.4741 9.4912 9.4912 9.6629 9.6629 10.4734 10.4734 10.4789 10.4789 11.0238 11.0238 11.0549 11.0549 11.2833 11.2833 12.8538 12.8538 12.9710 12.9710 13.0792 13.0792 14.0069 14.0069 14.0218 14.0218 14.8671 14.8671 14.9021 14.9021 14.9265 14.9265 15.0644 15.0644 15.1081 15.1081 15.1164 15.1164 15.3077 15.3077 15.4682 15.4682 15.5726 15.5726 k = 0.0903 0.0903 0.0903 ( 2614 PWs) bands (ev): -63.3733 -63.3733 -33.9587 -33.9587 -30.0520 -30.0520 -30.0518 -30.0518 -2.4377 -2.4377 8.5022 8.5022 9.4184 9.4184 9.4357 9.4357 9.6456 9.6456 10.4975 10.4975 10.5031 10.5031 11.0465 11.0465 11.0776 11.0776 11.3348 11.3348 12.8426 12.8426 12.9813 12.9813 13.0891 13.0891 14.0104 14.0104 14.0280 14.0280 14.8415 14.8415 14.8790 14.8790 14.9036 14.9036 15.0623 15.0623 15.1105 15.1105 15.1331 15.1331 15.2617 15.2617 15.4515 15.4515 15.5588 15.5588 k = 0.0972 0.0972 0.0972 ( 2620 PWs) bands (ev): -63.3733 -63.3733 -33.9588 -33.9588 -30.0521 -30.0521 -30.0518 -30.0518 -2.4215 -2.4215 8.5025 8.5025 9.3607 9.3607 9.3782 9.3782 9.6314 9.6314 10.5231 10.5231 10.5286 10.5286 11.0701 11.0701 11.1012 11.1012 11.3871 11.3871 12.8301 12.8301 12.9921 12.9921 13.0997 13.0997 14.0121 14.0121 14.0327 14.0327 14.8130 14.8130 14.8538 14.8538 14.8777 14.8777 15.0590 15.0590 15.1051 15.1051 15.1513 15.1513 15.2227 15.2227 15.4368 15.4368 15.5479 15.5479 k = 0.1042 0.1042 0.1042 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9588 -33.9588 -30.0522 -30.0522 -30.0519 -30.0519 -2.4041 -2.4041 8.5012 8.5012 9.3014 9.3014 9.3189 9.3189 9.6207 9.6207 10.5502 10.5502 10.5554 10.5554 11.0948 11.0948 11.1255 11.1255 11.4399 11.4399 12.8165 12.8165 13.0032 13.0032 13.1111 13.1111 14.0120 14.0120 14.0358 14.0358 14.7819 14.7819 14.8267 14.8267 14.8491 14.8491 15.0509 15.0509 15.0859 15.0859 15.1702 15.1702 15.2004 15.2004 15.4249 15.4249 15.5408 15.5408 k = 0.1111 0.1111 0.1111 ( 2617 PWs) bands (ev): -63.3732 -63.3732 -33.9589 -33.9589 -30.0523 -30.0523 -30.0520 -30.0520 -2.3857 -2.3857 8.4977 8.4977 9.2405 9.2405 9.2581 9.2581 9.6139 9.6139 10.5787 10.5787 10.5836 10.5836 11.1202 11.1202 11.1505 11.1505 11.4928 11.4928 12.8017 12.8017 13.0144 13.0144 13.1229 13.1229 14.0098 14.0098 14.0370 14.0370 14.7482 14.7482 14.7979 14.7979 14.8179 14.8179 15.0214 15.0214 15.0688 15.0688 15.1887 15.1887 15.1948 15.1948 15.4171 15.4171 15.5380 15.5380 k = 0.1181 0.1181 0.1181 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9590 -33.9590 -30.0525 -30.0525 -30.0521 -30.0521 -2.3663 -2.3663 8.4920 8.4920 9.1784 9.1784 9.1960 9.1960 9.6113 9.6113 10.6086 10.6086 10.6130 10.6130 11.1465 11.1465 11.1762 11.1762 11.5458 11.5458 12.7858 12.7858 13.0258 13.0258 13.1351 13.1351 14.0056 14.0056 14.0364 14.0364 14.7123 14.7123 14.7675 14.7675 14.7845 14.7845 14.9703 14.9703 15.0629 15.0629 15.1969 15.1969 15.2054 15.2054 15.4146 15.4146 15.5403 15.5403 k = 0.1250 0.1250 0.1250 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9591 -33.9591 -30.0526 -30.0526 -30.0523 -30.0523 -2.3459 -2.3459 8.4837 8.4837 9.1151 9.1151 9.1327 9.1327 9.6131 9.6131 10.6400 10.6400 10.6437 10.6437 11.1736 11.1736 11.2025 11.2025 11.5984 11.5984 12.7688 12.7688 13.0371 13.0371 13.1474 13.1474 13.9993 13.9993 14.0337 14.0337 14.6742 14.6742 14.7357 14.7357 14.7492 14.7492 14.9119 14.9119 15.0597 15.0597 15.2009 15.2009 15.2185 15.2185 15.4192 15.4192 15.5481 15.5481 k = 0.1319 0.1319 0.1319 ( 2614 PWs) bands (ev): -63.3732 -63.3732 -33.9592 -33.9592 -30.0528 -30.0528 -30.0524 -30.0524 -2.3245 -2.3245 8.4728 8.4728 9.0509 9.0509 9.0684 9.0684 9.6195 9.6195 10.6727 10.6727 10.6756 10.6756 11.2015 11.2015 11.2294 11.2294 11.6506 11.6506 12.7507 12.7507 13.0483 13.0483 13.1597 13.1597 13.9910 13.9910 14.0292 14.0292 14.6345 14.6345 14.7026 14.7026 14.7124 14.7124 14.8509 14.8509 15.0572 15.0572 15.2043 15.2043 15.2269 15.2269 15.4317 15.4317 15.5614 15.5614 k = 0.1389 0.1389 0.1389 ( 2626 PWs) bands (ev): -63.3732 -63.3732 -33.9593 -33.9593 -30.0529 -30.0529 -30.0525 -30.0525 -2.3021 -2.3021 8.4592 8.4592 8.9860 8.9860 9.0034 9.0034 9.6305 9.6305 10.7068 10.7068 10.7087 10.7087 11.2300 11.2300 11.2567 11.2567 11.7021 11.7021 12.7314 12.7314 13.0590 13.0590 13.1717 13.1717 13.9807 13.9807 14.0226 14.0226 14.5935 14.5935 14.6683 14.6683 14.6747 14.6747 14.7891 14.7891 15.0550 15.0550 15.2062 15.2062 15.2304 15.2304 15.4520 15.4520 15.5802 15.5802 k = 0.1458 0.1458 0.1458 ( 2626 PWs) bands (ev): -63.3732 -63.3732 -33.9593 -33.9593 -30.0531 -30.0531 -30.0526 -30.0526 -2.2789 -2.2789 8.4430 8.4430 8.9204 8.9204 8.9377 8.9377 9.6461 9.6461 10.7423 10.7423 10.7429 10.7429 11.2593 11.2593 11.2846 11.2846 11.7528 11.7528 12.7110 12.7110 13.0693 13.0693 13.1832 13.1832 13.9686 13.9686 14.0142 14.0142 14.5516 14.5516 14.6329 14.6329 14.6365 14.6365 14.7277 14.7277 15.0528 15.0528 15.2064 15.2064 15.2299 15.2299 15.4790 15.4790 15.6040 15.6040 k = 0.1528 0.1528 0.1528 ( 2620 PWs) bands (ev): -63.3732 -63.3732 -33.9594 -33.9594 -30.0532 -30.0532 -30.0527 -30.0527 -2.2548 -2.2548 8.4241 8.4241 8.8544 8.8544 8.8716 8.8716 9.6662 9.6662 10.7782 10.7782 10.7791 10.7791 11.2892 11.2892 11.3129 11.3129 11.8025 11.8025 12.6893 12.6893 13.0788 13.0788 13.1938 13.1938 13.9549 13.9549 14.0038 14.0038 14.5093 14.5093 14.5965 14.5965 14.5986 14.5986 14.6678 14.6678 15.0506 15.0506 15.2049 15.2049 15.2267 15.2267 15.5110 15.5110 15.6321 15.6321 k = 0.1597 0.1597 0.1597 ( 2629 PWs) bands (ev): -63.3732 -63.3732 -33.9595 -33.9595 -30.0534 -30.0534 -30.0529 -30.0529 -2.2298 -2.2298 8.4027 8.4027 8.7881 8.7881 8.8050 8.8050 9.6906 9.6906 10.8145 10.8145 10.8171 10.8171 11.3198 11.3198 11.3416 11.3416 11.8510 11.8510 12.6663 12.6663 13.0874 13.0874 13.2033 13.2033 13.9397 13.9397 13.9915 13.9915 14.4668 14.4668 14.5592 14.5592 14.5613 14.5613 14.6098 14.6098 15.0485 15.0485 15.2022 15.2022 15.2217 15.2217 15.5466 15.5466 15.6638 15.6638 k = 0.1667 0.1667 0.1667 ( 2629 PWs) bands (ev): -63.3732 -63.3732 -33.9596 -33.9596 -30.0535 -30.0535 -30.0530 -30.0530 -2.2040 -2.2040 8.3789 8.3789 8.7215 8.7215 8.7383 8.7383 9.7190 9.7190 10.8517 10.8517 10.8564 10.8564 11.3510 11.3510 11.3705 11.3705 11.8984 11.8984 12.6419 12.6419 13.0951 13.0951 13.2115 13.2115 13.9232 13.9232 13.9774 13.9774 14.4247 14.4247 14.5212 14.5212 14.5255 14.5255 14.5549 14.5549 15.0464 15.0464 15.1984 15.1984 15.2157 15.2157 15.5849 15.5849 15.6983 15.6983 k = 0.1736 0.1736 0.1736 ( 2626 PWs) bands (ev): -63.3732 -63.3732 -33.9597 -33.9597 -30.0537 -30.0537 -30.0531 -30.0531 -2.1775 -2.1775 8.3530 8.3530 8.6549 8.6549 8.6715 8.6715 9.7512 9.7512 10.8897 10.8897 10.8968 10.8968 11.3829 11.3829 11.3998 11.3998 11.9444 11.9444 12.6161 12.6161 13.1015 13.1015 13.2180 13.2180 13.9058 13.9058 13.9613 13.9613 14.3834 14.3834 14.4824 14.4824 14.4917 14.4917 14.5036 14.5036 15.0442 15.0442 15.1938 15.1938 15.2092 15.2092 15.6250 15.6250 15.7351 15.7351 k = 0.1806 0.1806 0.1806 ( 2614 PWs) bands (ev): -63.3731 -63.3731 -33.9598 -33.9598 -30.0538 -30.0538 -30.0533 -30.0533 -2.1502 -2.1502 8.3250 8.3250 8.5883 8.5883 8.6048 8.6048 9.7870 9.7870 10.9284 10.9284 10.9383 10.9383 11.4154 11.4154 11.4292 11.4292 11.9889 11.9889 12.5885 12.5885 13.1066 13.1066 13.2224 13.2224 13.8875 13.8875 13.9433 13.9433 14.3434 14.3434 14.4432 14.4432 14.4565 14.4565 14.4606 14.4606 15.0420 15.0420 15.1887 15.1887 15.2024 15.2024 15.6664 15.6664 15.7736 15.7736 k = 0.1875 0.1875 0.1875 ( 2620 PWs) bands (ev): -63.3731 -63.3731 -33.9599 -33.9599 -30.0540 -30.0540 -30.0534 -30.0534 -2.1223 -2.1223 8.2951 8.2951 8.5219 8.5219 8.5382 8.5382 9.8260 9.8260 10.9676 10.9676 10.9807 10.9807 11.4485 11.4485 11.4588 11.4588 12.0319 12.0319 12.5593 12.5593 13.1101 13.1101 13.2246 13.2246 13.8686 13.8686 13.9233 13.9233 14.3052 14.3052 14.4036 14.4036 14.4140 14.4140 14.4326 14.4326 15.0399 15.0399 15.1832 15.1832 15.1955 15.1955 15.7085 15.7085 15.8133 15.8133 k = 0.1944 0.1944 0.1944 ( 2620 PWs) bands (ev): -63.3731 -63.3731 -33.9600 -33.9600 -30.0542 -30.0542 -30.0535 -30.0535 -2.0937 -2.0937 8.2635 8.2635 8.4557 8.4557 8.4718 8.4718 9.8680 9.8680 11.0071 11.0071 11.0240 11.0240 11.4824 11.4824 11.4884 11.4884 12.0735 12.0735 12.5282 12.5282 13.1121 13.1121 13.2242 13.2242 13.8493 13.8493 13.9015 13.9015 14.2692 14.2692 14.3639 14.3639 14.3765 14.3765 14.4081 14.4081 15.0376 15.0376 15.1774 15.1774 15.1886 15.1886 15.7510 15.7510 15.8537 15.8537 k = 0.2014 0.2014 0.2014 ( 2620 PWs) bands (ev): -63.3731 -63.3731 -33.9601 -33.9601 -30.0543 -30.0543 -30.0537 -30.0537 -2.0645 -2.0645 8.2303 8.2303 8.3899 8.3899 8.4059 8.4059 9.9126 9.9126 11.0468 11.0468 11.0680 11.0680 11.5169 11.5169 11.5181 11.5181 12.1137 12.1137 12.4952 12.4952 13.1125 13.1125 13.2212 13.2212 13.8297 13.8297 13.8779 13.8779 14.2360 14.2360 14.3239 14.3239 14.3445 14.3445 14.3877 14.3877 15.0354 15.0354 15.1715 15.1715 15.1818 15.1818 15.7935 15.7935 15.8945 15.8945 k = 0.2083 0.2083 0.2083 ( 2620 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0545 -30.0545 -30.0538 -30.0538 -2.0348 -2.0348 8.1956 8.1956 8.3245 8.3245 8.3404 8.3404 9.9595 9.9595 11.0864 11.0864 11.1125 11.1125 11.5478 11.5478 11.5521 11.5521 12.1524 12.1524 12.4603 12.4603 13.1112 13.1112 13.2156 13.2156 13.8101 13.8101 13.8526 13.8526 14.2061 14.2061 14.2835 14.2835 14.3183 14.3183 14.3714 14.3714 15.0332 15.0332 15.1655 15.1655 15.1750 15.1750 15.8359 15.8359 15.9353 15.9353 k = 0.2153 0.2153 0.2153 ( 2608 PWs) bands (ev): -63.3730 -63.3730 -33.9603 -33.9603 -30.0546 -30.0546 -30.0539 -30.0539 -2.0046 -2.0046 8.1595 8.1595 8.2597 8.2597 8.2756 8.2756 10.0086 10.0086 11.1256 11.1256 11.1573 11.1573 11.5776 11.5776 11.5882 11.5882 12.1900 12.1900 12.4235 12.4235 13.1084 13.1084 13.2075 13.2075 13.7903 13.7903 13.8260 13.8260 14.1798 14.1798 14.2431 14.2431 14.2980 14.2980 14.3595 14.3595 15.0310 15.0310 15.1595 15.1595 15.1685 15.1685 15.8779 15.8779 15.9760 15.9760 k = 0.2222 0.2222 0.2222 ( 2611 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0548 -30.0548 -30.0541 -30.0541 -1.9739 -1.9739 8.1220 8.1220 8.1955 8.1955 8.2114 8.2114 10.0593 10.0593 11.1642 11.1642 11.2022 11.2022 11.6073 11.6073 11.6250 11.6250 12.2264 12.2264 12.3848 12.3848 13.1042 13.1042 13.1972 13.1972 13.7705 13.7705 13.7982 13.7982 14.1574 14.1574 14.2025 14.2025 14.2835 14.2835 14.3516 14.3516 15.0287 15.0287 15.1535 15.1535 15.1621 15.1621 15.9192 15.9192 16.0161 16.0161 k = 0.2292 0.2292 0.2292 ( 2608 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0549 -30.0549 -30.0542 -30.0542 -1.9428 -1.9428 8.0832 8.0832 8.1319 8.1319 8.1483 8.1483 10.1116 10.1116 11.2018 11.2018 11.2467 11.2467 11.6370 11.6370 11.6629 11.6629 12.2618 12.2618 12.3446 12.3446 13.0988 13.0988 13.1850 13.1850 13.7505 13.7505 13.7696 13.7696 14.1393 14.1393 14.1620 14.1620 14.2745 14.2745 14.3479 14.3479 15.0265 15.0265 15.1475 15.1475 15.1559 15.1559 15.9597 15.9597 16.0555 16.0555 k = 0.2361 0.2361 0.2361 ( 2614 PWs) bands (ev): -63.3730 -63.3730 -33.9605 -33.9605 -30.0551 -30.0551 -30.0544 -30.0544 -1.9113 -1.9113 8.0427 8.0427 8.0692 8.0692 8.0865 8.0865 10.1650 10.1650 11.2380 11.2380 11.2906 11.2906 11.6669 11.6669 11.7018 11.7018 12.2936 12.2936 12.3059 12.3059 13.0925 13.0925 13.1716 13.1716 13.7304 13.7304 13.7405 13.7405 14.1216 14.1216 14.1256 14.1256 14.2707 14.2707 14.3479 14.3479 15.0242 15.0242 15.1417 15.1417 15.1500 15.1500 15.9991 15.9991 16.0940 16.0940 k = 0.2431 0.2431 0.2431 ( 2605 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0552 -30.0552 -30.0545 -30.0545 -1.8795 -1.8795 7.9994 7.9994 8.0073 8.0073 8.0274 8.0274 10.2193 10.2193 11.2725 11.2725 11.3332 11.3332 11.6972 11.6972 11.7419 11.7419 12.2583 12.2583 12.3326 12.3326 13.0856 13.0856 13.1574 13.1574 13.7101 13.7101 13.7113 13.7113 14.0816 14.0816 14.1165 14.1165 14.2719 14.2719 14.3514 14.3514 15.0220 15.0220 15.1359 15.1359 15.1442 15.1442 16.0373 16.0373 16.1313 16.1313 k = 0.2500 0.2500 0.2500 ( 2605 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0553 -30.0553 -30.0546 -30.0546 -1.8475 -1.8475 7.9463 7.9463 7.9501 7.9501 7.9743 7.9743 10.2741 10.2741 11.3049 11.3049 11.3740 11.3740 11.7280 11.7280 11.7833 11.7833 12.2141 12.2141 12.3674 12.3674 13.0785 13.0785 13.1432 13.1432 13.6823 13.6823 13.6896 13.6896 14.0417 14.0417 14.1118 14.1118 14.2773 14.2773 14.3581 14.3581 15.0197 15.0197 15.1303 15.1303 15.1387 15.1387 16.0742 16.0742 16.1672 16.1672 k = 0.2569 0.2569 0.2569 ( 2605 PWs) bands (ev): -63.3730 -63.3730 -33.9608 -33.9608 -30.0555 -30.0555 -30.0548 -30.0548 -1.8153 -1.8153 7.8863 7.8863 7.8945 7.8945 7.9277 7.9277 10.3291 10.3291 11.3349 11.3349 11.4123 11.4123 11.7595 11.7595 11.8260 11.8260 12.1691 12.1691 12.4029 12.4029 13.0717 13.0717 13.1295 13.1295 13.6536 13.6536 13.6688 13.6688 14.0023 14.0023 14.1117 14.1117 14.2865 14.2865 14.3676 14.3676 15.0175 15.0175 15.1249 15.1249 15.1334 15.1334 16.1095 16.1095 16.2017 16.2017 k = 0.2639 0.2639 0.2639 ( 2611 PWs) bands (ev): -63.3730 -63.3730 -33.9609 -33.9609 -30.0556 -30.0556 -30.0549 -30.0549 -1.7829 -1.7829 7.8274 7.8274 7.8369 7.8369 7.8833 7.8833 10.3840 10.3840 11.3621 11.3621 11.4474 11.4474 11.7919 11.7919 11.8699 11.8699 12.1241 12.1241 12.4393 12.4393 13.0655 13.0655 13.1169 13.1169 13.6255 13.6255 13.6479 13.6479 13.9633 13.9633 14.1159 14.1159 14.2990 14.2990 14.3795 14.3795 15.0153 15.0153 15.1196 15.1196 15.1284 15.1284 16.1432 16.1432 16.2343 16.2343 k = 0.2708 0.2708 0.2708 ( 2605 PWs) bands (ev): -63.3729 -63.3729 -33.9610 -33.9610 -30.0557 -30.0557 -30.0550 -30.0550 -1.7505 -1.7505 7.7695 7.7695 7.7796 7.7796 7.8390 7.8390 10.4385 10.4385 11.3863 11.3863 11.4785 11.4785 11.8249 11.8249 11.9153 11.9153 12.0800 12.0800 12.4772 12.4772 13.0603 13.0603 13.1060 13.1060 13.5983 13.5983 13.6269 13.6269 13.9248 13.9248 14.1243 14.1243 14.3144 14.3144 14.3936 14.3936 15.0131 15.0131 15.1145 15.1145 15.1238 15.1238 16.1750 16.1750 16.2652 16.2652 k = 0.2778 0.2778 0.2778 ( 2611 PWs) bands (ev): -63.3729 -63.3729 -33.9610 -33.9610 -30.0558 -30.0558 -30.0552 -30.0552 -1.7180 -1.7180 7.7128 7.7128 7.7231 7.7231 7.7945 7.7945 10.4922 10.4922 11.4072 11.4072 11.5051 11.5051 11.8568 11.8568 11.9619 11.9619 12.0392 12.0392 12.5168 12.5168 13.0567 13.0567 13.0974 13.0974 13.5721 13.5721 13.6060 13.6060 13.8869 13.8869 14.1363 14.1363 14.3322 14.3322 14.4096 14.4096 15.0110 15.0110 15.1096 15.1096 15.1194 15.1194 16.2049 16.2049 16.2939 16.2939 k = 0.2847 0.2847 0.2847 ( 2605 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0559 -30.0559 -30.0553 -30.0553 -1.6855 -1.6855 7.6574 7.6574 7.6677 7.6677 7.7496 7.7496 10.5449 10.5449 11.4246 11.4246 11.5267 11.5267 11.8813 11.8813 12.0085 12.0085 12.0097 12.0097 12.5587 12.5587 13.0548 13.0548 13.0915 13.0915 13.5471 13.5471 13.5853 13.5853 13.8496 13.8496 14.1519 14.1519 14.3518 14.3518 14.4271 14.4271 15.0088 15.0088 15.1050 15.1050 15.1154 15.1154 16.2326 16.2326 16.3203 16.3203 k = 0.2917 0.2917 0.2917 ( 2605 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0561 -30.0561 -30.0554 -30.0554 -1.6531 -1.6531 7.6032 7.6032 7.6135 7.6135 7.7044 7.7044 10.5962 10.5962 11.4386 11.4386 11.5433 11.5433 11.8818 11.8818 12.0044 12.0044 12.0584 12.0584 12.6033 12.6033 13.0551 13.0551 13.0885 13.0885 13.5235 13.5235 13.5650 13.5650 13.8130 13.8130 14.1706 14.1706 14.3731 14.3731 14.4459 14.4459 15.0067 15.0067 15.1006 15.1006 15.1117 15.1117 16.2579 16.2579 16.3441 16.3441 k = 0.2986 0.2986 0.2986 ( 2599 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0561 -30.0561 -30.0555 -30.0555 -1.6209 -1.6209 7.5503 7.5503 7.5605 7.5605 7.6588 7.6588 10.6458 10.6458 11.4492 11.4492 11.5549 11.5549 11.8551 11.8551 12.0303 12.0303 12.1077 12.1077 12.6508 12.6508 13.0578 13.0578 13.0888 13.0888 13.5016 13.5016 13.5455 13.5455 13.7772 13.7772 14.1920 14.1920 14.3956 14.3956 14.4656 14.4656 15.0047 15.0047 15.0966 15.0966 15.1085 15.1085 16.2807 16.2807 16.3652 16.3652 k = 0.3056 0.3056 0.3056 ( 2605 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0563 -30.0563 -30.0556 -30.0556 -1.5888 -1.5888 7.4988 7.4988 7.5089 7.5089 7.6130 7.6130 10.6934 10.6934 11.4563 11.4563 11.5617 11.5617 11.8174 11.8174 12.0697 12.0697 12.1573 12.1573 12.7016 12.7016 13.0630 13.0630 13.0926 13.0926 13.4817 13.4817 13.5269 13.5269 13.7422 13.7422 14.2157 14.2157 14.4188 14.4188 14.4860 14.4860 15.0027 15.0027 15.0928 15.0928 15.1057 15.1057 16.3007 16.3007 16.3832 16.3832 k = 0.3125 0.3125 0.3125 ( 2617 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0564 -30.0564 -30.0558 -30.0558 -1.5571 -1.5571 7.4487 7.4487 7.4587 7.4587 7.5671 7.5671 10.7389 10.7389 11.4601 11.4601 11.5642 11.5642 11.7767 11.7767 12.1142 12.1142 12.2068 12.2068 12.7560 12.7560 13.0706 13.0706 13.0997 13.0997 13.4641 13.4641 13.5095 13.5095 13.7080 13.7080 14.2414 14.2414 14.4428 14.4428 14.5069 14.5069 15.0007 15.0007 15.0893 15.0893 15.1033 15.1033 16.3177 16.3177 16.3979 16.3979 k = 0.3194 0.3194 0.3194 ( 2617 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0564 -30.0564 -30.0559 -30.0559 -1.5257 -1.5257 7.4001 7.4001 7.4099 7.4099 7.5211 7.5211 10.7821 10.7821 11.4609 11.4609 11.5626 11.5626 11.7357 11.7357 12.1611 12.1611 12.2560 12.2560 12.8141 12.8141 13.0804 13.0804 13.1101 13.1101 13.4496 13.4496 13.4938 13.4938 13.6747 13.6747 14.2687 14.2687 14.4672 14.4672 14.5281 14.5281 14.9987 14.9987 15.0862 15.0862 15.1014 15.1014 16.3314 16.3314 16.4089 16.4089 k = 0.3264 0.3264 0.3264 ( 2623 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0565 -30.0565 -30.0560 -30.0560 -1.4947 -1.4947 7.3530 7.3530 7.3626 7.3626 7.4753 7.4753 10.8227 10.8227 11.4589 11.4589 11.5575 11.5575 11.6953 11.6953 12.2088 12.2088 12.3043 12.3043 12.8760 12.8760 13.0921 13.0921 13.1234 13.1234 13.4386 13.4386 13.4803 13.4803 13.6425 13.6425 14.2973 14.2973 14.4916 14.4916 14.5493 14.5493 14.9969 14.9969 15.0835 15.0835 15.1001 15.1001 16.3416 16.3416 16.4159 16.4159 k = 0.3333 0.3333 0.3333 ( 2608 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0566 -30.0566 -30.0561 -30.0561 -1.4641 -1.4641 7.3074 7.3074 7.3168 7.3168 7.4296 7.4296 10.8608 10.8608 11.4543 11.4543 11.5493 11.5493 11.6562 11.6562 12.2566 12.2566 12.3514 12.3514 12.9419 12.9419 13.1048 13.1048 13.1393 13.1393 13.4324 13.4324 13.4697 13.4697 13.6115 13.6115 14.3271 14.3271 14.5161 14.5161 14.5704 14.5704 14.9951 14.9951 15.0813 15.0813 15.0994 15.0994 16.3479 16.3479 16.4186 16.4186 k = 0.3403 0.3403 0.3403 ( 2611 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0567 -30.0567 -30.0562 -30.0562 -1.4341 -1.4341 7.2634 7.2634 7.2727 7.2727 7.3843 7.3843 10.8962 10.8962 11.4474 11.4474 11.5381 11.5381 11.6187 11.6187 12.3038 12.3038 12.3968 12.3968 13.0115 13.0115 13.1178 13.1178 13.1568 13.1568 13.4319 13.4319 13.4627 13.4627 13.5816 13.5816 14.3576 14.3576 14.5402 14.5402 14.5910 14.5910 14.9933 14.9933 15.0794 15.0794 15.0993 15.0993 16.3499 16.3499 16.4165 16.4165 k = 0.3472 0.3472 0.3472 ( 2611 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0568 -30.0568 -30.0563 -30.0563 -1.4047 -1.4047 7.2210 7.2210 7.2301 7.2301 7.3395 7.3395 10.9289 10.9289 11.4386 11.4386 11.5241 11.5241 11.5835 11.5835 12.3498 12.3498 12.4401 12.4401 13.0845 13.0845 13.1297 13.1297 13.1751 13.1751 13.4385 13.4385 13.4606 13.4606 13.5534 13.5534 14.3886 14.3886 14.5638 14.5638 14.6111 14.6111 14.9916 14.9916 15.0781 15.0781 15.0998 15.0998 16.3473 16.3473 16.4092 16.4092 k = 0.3542 0.3542 0.3542 ( 2611 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0568 -30.0568 -30.0564 -30.0564 -1.3759 -1.3759 7.1803 7.1803 7.1892 7.1892 7.2953 7.2953 10.9591 10.9591 11.4281 11.4281 11.5070 11.5070 11.5512 11.5512 12.3942 12.3942 12.4810 12.4810 13.1395 13.1395 13.1586 13.1586 13.1949 13.1949 13.4534 13.4534 13.4637 13.4637 13.5278 13.5278 14.4199 14.4199 14.5867 14.5867 14.6305 14.6305 14.9900 14.9900 15.0772 15.0772 15.1010 15.1010 16.3396 16.3396 16.3962 16.3962 k = 0.3611 0.3611 0.3611 ( 2605 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0569 -30.0569 -30.0565 -30.0565 -1.3479 -1.3479 7.1413 7.1413 7.1500 7.1500 7.2519 7.2519 10.9866 10.9866 11.4162 11.4162 11.4861 11.4861 11.5230 11.5230 12.4365 12.4365 12.5191 12.5191 13.1466 13.1466 13.1999 13.1999 13.2480 13.2480 13.4685 13.4685 13.4771 13.4771 13.5103 13.5103 14.4512 14.4512 14.6089 14.6089 14.6490 14.6490 14.9885 14.9885 15.0769 15.0769 15.1029 15.1029 16.3266 16.3266 16.3774 16.3774 k = 0.3681 0.3681 0.3681 ( 2605 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0569 -30.0569 -30.0565 -30.0565 -1.3207 -1.3207 7.1039 7.1039 7.1125 7.1125 7.2094 7.2094 11.0118 11.0118 11.4032 11.4032 11.4615 11.4615 11.4992 11.4992 12.4764 12.4764 12.5543 12.5543 13.1511 13.1511 13.2122 13.2122 13.3293 13.3293 13.4593 13.4593 13.5097 13.5097 13.5177 13.5177 14.4823 14.4823 14.6301 14.6301 14.6665 14.6665 14.9870 14.9870 15.0771 15.0771 15.1054 15.1054 16.3077 16.3077 16.3523 16.3523 k = 0.3750 0.3750 0.3750 ( 2605 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0570 -30.0570 -30.0566 -30.0566 -1.2944 -1.2944 7.0683 7.0683 7.0767 7.0767 7.1680 7.1680 11.0345 11.0345 11.3894 11.3894 11.4351 11.4351 11.4785 11.4785 12.5137 12.5137 12.5864 12.5864 13.1534 13.1534 13.2189 13.2189 13.4132 13.4132 13.4405 13.4405 13.5472 13.5472 13.5505 13.5505 14.5131 14.5131 14.6502 14.6502 14.6829 14.6829 14.9856 14.9856 15.0778 15.0778 15.1086 15.1086 16.2827 16.2827 16.3207 16.3207 k = 0.3819 0.3819 0.3819 ( 2593 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0570 -30.0570 -30.0567 -30.0567 -1.2690 -1.2690 7.0345 7.0345 7.0427 7.0427 7.1278 7.1278 11.0550 11.0550 11.3752 11.3752 11.4085 11.4085 11.4594 11.4594 12.5481 12.5481 12.6152 12.6152 13.1542 13.1542 13.2221 13.2221 13.4165 13.4165 13.5018 13.5018 13.5900 13.5900 13.5987 13.5987 14.5433 14.5433 14.6692 14.6692 14.6983 14.6983 14.9843 14.9843 15.0791 15.0791 15.1124 15.1124 16.2515 16.2515 16.2827 16.2827 k = 0.3889 0.3889 0.3889 ( 2599 PWs) bands (ev): -63.3728 -63.3728 -33.9620 -33.9620 -30.0571 -30.0571 -30.0568 -30.0568 -1.2446 -1.2446 7.0024 7.0024 7.0105 7.0105 7.0889 7.0889 11.0733 11.0733 11.3605 11.3605 11.3829 11.3829 11.4410 11.4410 12.5795 12.5795 12.6408 12.6408 13.1543 13.1543 13.2228 13.2228 13.3956 13.3956 13.5852 13.5852 13.6460 13.6460 13.6531 13.6531 14.5727 14.5727 14.6868 14.6868 14.7122 14.7122 14.9830 14.9830 15.0809 15.0809 15.1168 15.1168 16.2139 16.2139 16.2384 16.2384 k = 0.3958 0.3958 0.3958 ( 2593 PWs) bands (ev): -63.3728 -63.3728 -33.9620 -33.9620 -30.0571 -30.0571 -30.0568 -30.0568 -1.2213 -1.2213 6.9722 6.9722 6.9802 6.9802 7.0516 7.0516 11.0896 11.0896 11.3459 11.3459 11.3586 11.3586 11.4234 11.4234 12.6080 12.6080 12.6633 12.6633 13.1542 13.1542 13.2221 13.2221 13.3756 13.3756 13.6602 13.6602 13.7130 13.7130 13.7189 13.7189 14.6012 14.6012 14.7031 14.7031 14.7250 14.7250 14.9818 14.9818 15.0831 15.0831 15.1216 15.1216 16.1700 16.1700 16.1881 16.1881 k = 0.4028 0.4028 0.4028 ( 2593 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0571 -30.0571 -30.0569 -30.0569 -1.1992 -1.1992 6.9439 6.9439 6.9516 6.9516 7.0159 7.0159 11.1039 11.1039 11.3313 11.3313 11.3360 11.3360 11.4064 11.4064 12.6334 12.6334 12.6827 12.6827 13.1543 13.1543 13.2204 13.2204 13.3569 13.3569 13.7280 13.7280 13.7775 13.7775 13.8056 13.8056 14.6286 14.6286 14.7180 14.7180 14.7365 14.7365 14.9807 14.9807 15.0856 15.0856 15.1268 15.1268 16.1201 16.1201 16.1321 16.1321 k = 0.4097 0.4097 0.4097 ( 2587 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0572 -30.0572 -30.0570 -30.0570 -1.1782 -1.1782 6.9173 6.9173 6.9250 6.9250 6.9820 6.9820 11.1164 11.1164 11.3151 11.3151 11.3170 11.3170 11.3902 11.3902 12.6559 12.6559 12.6993 12.6993 13.1550 13.1550 13.2184 13.2184 13.3397 13.3397 13.7953 13.7953 13.8460 13.8460 13.8979 13.8979 14.6548 14.6548 14.7314 14.7314 14.7467 14.7467 14.9796 14.9796 15.0884 15.0884 15.1321 15.1321 16.0646 16.0646 16.0711 16.0711 k = 0.4167 0.4167 0.4167 ( 2581 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0572 -30.0572 -30.0570 -30.0570 -1.1585 -1.1585 6.8927 6.8927 6.9002 6.9002 6.9501 6.9501 11.1269 11.1269 11.2961 11.2961 11.3033 11.3033 11.3749 11.3749 12.6757 12.6757 12.7132 12.7132 13.1563 13.1563 13.2163 13.2163 13.3242 13.3242 13.8645 13.8645 13.9180 13.9180 13.9919 13.9919 14.6794 14.6794 14.7435 14.7435 14.7557 14.7557 14.9787 14.9787 15.0912 15.0912 15.1374 15.1374 16.0039 16.0039 16.0057 16.0057 k = 0.4236 0.4236 0.4236 ( 2581 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0572 -30.0572 -30.0571 -30.0571 -1.1402 -1.1402 6.8700 6.8700 6.8772 6.8772 6.9202 6.9202 11.1356 11.1356 11.2791 11.2791 11.2901 11.2901 11.3605 11.3605 12.6927 12.6927 12.7246 12.7246 13.1583 13.1583 13.2140 13.2140 13.3104 13.3104 13.9361 13.9361 13.9928 13.9928 14.0859 14.0859 14.7024 14.7024 14.7542 14.7542 14.7637 14.7637 14.9778 14.9778 15.0939 15.0939 15.1424 15.1424 15.9367 15.9367 15.9387 15.9387 k = 0.4306 0.4306 0.4306 ( 2584 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0572 -30.0572 -30.0571 -30.0571 -1.1232 -1.1232 6.8492 6.8492 6.8562 6.8562 6.8926 6.8926 11.1425 11.1425 11.2641 11.2641 11.2777 11.2777 11.3473 11.3473 12.7072 12.7072 12.7338 12.7338 13.1609 13.1609 13.2116 13.2116 13.2984 13.2984 14.0098 14.0098 14.0701 14.0701 14.1786 14.1786 14.7236 14.7236 14.7637 14.7637 14.7705 14.7705 14.9769 14.9769 15.0962 15.0962 15.1469 15.1469 15.8649 15.8649 15.8697 15.8697 k = 0.4375 0.4375 0.4375 ( 2566 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0572 -30.0572 -30.0571 -30.0571 -1.1077 -1.1077 6.8303 6.8303 6.8371 6.8371 6.8673 6.8673 11.1476 11.1476 11.2514 11.2514 11.2662 11.2662 11.3354 11.3354 12.7195 12.7195 12.7412 12.7412 13.1639 13.1639 13.2090 13.2090 13.2885 13.2885 14.0854 14.0854 14.1496 14.1496 14.2691 14.2691 14.7430 14.7430 14.7720 14.7720 14.7765 14.7765 14.9761 14.9761 15.0976 15.0976 15.1506 15.1506 15.7913 15.7913 15.7979 15.7979 k = 0.4444 0.4444 0.4444 ( 2572 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0572 -30.0572 -1.0937 -1.0937 6.8134 6.8134 6.8198 6.8198 6.8444 6.8444 11.1507 11.1507 11.2408 11.2408 11.2556 11.2556 11.3247 11.3247 12.7297 12.7297 12.7469 12.7469 13.1672 13.1672 13.2060 13.2060 13.2807 13.2807 14.1623 14.1623 14.2306 14.2306 14.3563 14.3563 14.7599 14.7599 14.7793 14.7793 14.7815 14.7815 14.9754 14.9754 15.0976 15.0976 15.1527 15.1527 15.7169 15.7169 15.7242 15.7242 k = 0.4514 0.4514 0.4514 ( 2572 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0572 -30.0572 -1.0812 -1.0812 6.7984 6.7984 6.8044 6.8044 6.8241 6.8241 11.1520 11.1520 11.2325 11.2325 11.2461 11.2461 11.3154 11.3154 12.7380 12.7380 12.7513 12.7513 13.1707 13.1707 13.2027 13.2027 13.2748 13.2748 14.2399 14.2399 14.3130 14.3130 14.4390 14.4390 14.7739 14.7739 14.7857 14.7857 14.7861 14.7861 14.9747 14.9747 15.0956 15.0956 15.1528 15.1528 15.6430 15.6430 15.6499 15.6499 k = 0.4583 0.4583 0.4583 ( 2572 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0702 -1.0702 6.7855 6.7855 6.7908 6.7908 6.8066 6.8066 11.1518 11.1518 11.2262 11.2262 11.2377 11.2377 11.3076 11.3076 12.7448 12.7448 12.7545 12.7545 13.1741 13.1741 13.1992 13.1992 13.2707 13.2707 14.3177 14.3177 14.3962 14.3962 14.5163 14.5163 14.7842 14.7842 14.7893 14.7893 14.7930 14.7930 14.9739 14.9739 15.0904 15.0904 15.1495 15.1495 15.5714 15.5714 15.5767 15.5767 k = 0.4653 0.4653 0.4653 ( 2572 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0609 -1.0609 6.7745 6.7745 6.7790 6.7790 6.7920 6.7920 11.1505 11.1505 11.2217 11.2217 11.2304 11.2304 11.3012 11.3012 12.7502 12.7502 12.7569 12.7569 13.1773 13.1773 13.1956 13.1956 13.2681 13.2681 14.3946 14.3946 14.4797 14.4797 14.5872 14.5872 14.7905 14.7905 14.7921 14.7921 14.8002 14.8002 14.9731 14.9731 15.0808 15.0808 15.1410 15.1410 15.5044 15.5044 15.5072 15.5072 k = 0.4722 0.4722 0.4722 ( 2578 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0533 -1.0533 6.7654 6.7654 6.7689 6.7689 6.7803 6.7803 11.1487 11.1487 11.2185 11.2185 11.2244 11.2244 11.2961 11.2961 12.7543 12.7543 12.7586 12.7586 13.1801 13.1801 13.1923 13.1923 13.2665 13.2665 14.4691 14.4691 14.5628 14.5628 14.6508 14.6508 14.7944 14.7944 14.7945 14.7945 14.8058 14.8058 14.9721 14.9721 15.0647 15.0647 15.1244 15.1244 15.4449 15.4449 15.4450 15.4450 k = 0.4792 0.4792 0.4792 ( 2578 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0473 -1.0473 6.7584 6.7584 6.7606 6.7606 6.7716 6.7716 11.1467 11.1467 11.2162 11.2162 11.2197 11.2197 11.2924 11.2924 12.7574 12.7574 12.7598 12.7598 13.1824 13.1824 13.1895 13.1895 13.2656 13.2656 14.5387 14.5387 14.6442 14.6442 14.7068 14.7068 14.7961 14.7961 14.7972 14.7972 14.8086 14.8086 14.9705 14.9705 15.0411 15.0411 15.0965 15.0965 15.3947 15.3947 15.3964 15.3964 k = 0.4861 0.4861 0.4861 ( 2578 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0430 -1.0430 6.7534 6.7534 6.7545 6.7545 6.7656 6.7656 11.1450 11.1450 11.2148 11.2148 11.2164 11.2164 11.2898 11.2898 12.7595 12.7595 12.7606 12.7606 13.1842 13.1842 13.1874 13.1874 13.2651 13.2651 14.5990 14.5990 14.7216 14.7216 14.7545 14.7545 14.7974 14.7974 14.7986 14.7986 14.8089 14.8089 14.9664 14.9664 15.0121 15.0121 15.0562 15.0562 15.3598 15.3598 15.3614 15.3614 k = 0.4931 0.4931 0.4931 ( 2605 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0404 -1.0404 6.7504 6.7504 6.7507 6.7507 6.7621 6.7621 11.1439 11.1439 11.2139 11.2139 11.2142 11.2142 11.2883 11.2883 12.7605 12.7605 12.7608 12.7608 13.1852 13.1852 13.1860 13.1860 13.2649 13.2649 14.6424 14.6424 14.7870 14.7870 14.7888 14.7888 14.7984 14.7984 14.7993 14.7993 14.8119 14.8119 14.9536 14.9536 14.9903 14.9903 15.0103 15.0103 15.3403 15.3403 15.3409 15.3409 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0396 -1.0396 6.7494 6.7494 6.7494 6.7494 6.7609 6.7609 11.1435 11.1435 11.2136 11.2136 11.2136 11.2136 11.2877 11.2877 12.7609 12.7609 12.7609 12.7609 13.1856 13.1856 13.1856 13.1856 13.2648 13.2648 14.6589 14.6589 14.7970 14.7970 14.7974 14.7974 14.7974 14.7974 14.8211 14.8211 14.8211 14.8211 14.9415 14.9415 14.9850 14.9850 14.9850 14.9850 15.3342 15.3342 15.3342 15.3342 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0396 -1.0396 6.7494 6.7494 6.7494 6.7494 6.7609 6.7609 11.1435 11.1435 11.2136 11.2136 11.2136 11.2136 11.2877 11.2877 12.7609 12.7609 12.7609 12.7609 13.1856 13.1856 13.1856 13.1856 13.2648 13.2648 14.6589 14.6589 14.7970 14.7970 14.7974 14.7974 14.7974 14.7974 14.8211 14.8211 14.8211 14.8211 14.9415 14.9415 14.9850 14.9850 14.9850 14.9850 15.3342 15.3342 15.3342 15.3342 k = 0.4915 0.5000 0.4915 ( 2604 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0404 -1.0404 6.7501 6.7501 6.7509 6.7509 6.7621 6.7621 11.1439 11.1439 11.2139 11.2139 11.2142 11.2142 11.2882 11.2882 12.7602 12.7602 12.7612 12.7612 13.1852 13.1852 13.1860 13.1860 13.2649 13.2649 14.6426 14.6426 14.7864 14.7864 14.7902 14.7902 14.7974 14.7974 14.8011 14.8011 14.8103 14.8103 14.9535 14.9535 14.9907 14.9907 15.0102 15.0102 15.3368 15.3368 15.3442 15.3442 k = 0.4831 0.5000 0.4831 ( 2578 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0430 -1.0430 6.7522 6.7522 6.7553 6.7553 6.7658 6.7658 11.1450 11.1450 11.2149 11.2149 11.2163 11.2163 11.2898 11.2898 12.7581 12.7581 12.7619 12.7619 13.1843 13.1843 13.1873 13.1873 13.2651 13.2651 14.5996 14.5996 14.7237 14.7237 14.7542 14.7542 14.7968 14.7968 14.7988 14.7988 14.8064 14.8064 14.9655 14.9655 15.0143 15.0143 15.0579 15.0579 15.3441 15.3441 15.3748 15.3748 k = 0.4746 0.5000 0.4746 ( 2574 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0472 -1.0472 6.7552 6.7552 6.7624 6.7624 6.7728 6.7728 11.1468 11.1468 11.2164 11.2164 11.2196 11.2196 11.2924 11.2924 12.7543 12.7543 12.7630 12.7630 13.1827 13.1827 13.1892 13.1892 13.2656 13.2656 14.5402 14.5402 14.6484 14.6484 14.7032 14.7032 14.7928 14.7928 14.7972 14.7972 14.8074 14.8074 14.9687 14.9687 15.0460 15.0460 15.1063 15.1063 15.3546 15.3546 15.4263 15.4263 k = 0.4661 0.5000 0.4661 ( 2574 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0532 -1.0532 6.7590 6.7590 6.7720 6.7720 6.7833 6.7833 11.1489 11.1489 11.2183 11.2183 11.2243 11.2243 11.2960 11.2960 12.7488 12.7488 12.7645 12.7645 13.1806 13.1806 13.1918 13.1918 13.2664 13.2664 14.4717 14.4717 14.5689 14.5689 14.6432 14.6432 14.7855 14.7855 14.7965 14.7965 14.8069 14.8069 14.9691 14.9691 15.0717 15.0717 15.1527 15.1527 15.3665 15.3665 15.4960 15.4960 k = 0.4576 0.5000 0.4576 ( 2574 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0573 -30.0573 -1.0607 -1.0607 6.7633 6.7633 6.7839 6.7839 6.7975 6.7975 11.1514 11.1514 11.2208 11.2208 11.2304 11.2304 11.3010 11.3010 12.7414 12.7414 12.7664 12.7664 13.1780 13.1780 13.1949 13.1949 13.2678 13.2678 14.3983 14.3983 14.4876 14.4876 14.5755 14.5755 14.7761 14.7761 14.7958 14.7958 14.8048 14.8048 14.9685 14.9685 15.0889 15.0889 15.1973 15.1973 15.3786 15.3786 15.5795 15.5795 k = 0.4492 0.5000 0.4492 ( 2570 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0572 -30.0572 -1.0699 -1.0699 6.7684 6.7684 6.7981 6.7981 6.8153 6.8153 11.1539 11.1539 11.2237 11.2237 11.2382 11.2382 11.3073 11.3073 12.7320 12.7320 12.7687 12.7687 13.1749 13.1749 13.1982 13.1982 13.2703 13.2703 14.3226 14.3226 14.4053 14.4053 14.5015 14.5015 14.7645 14.7645 14.7949 14.7949 14.8012 14.8012 14.9674 14.9674 15.0995 15.0995 15.2395 15.2395 15.3897 15.3897 15.6724 15.6724 k = 0.4407 0.5000 0.4407 ( 2570 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0572 -30.0572 -1.0807 -1.0807 6.7742 6.7742 6.8147 6.8147 6.8365 6.8365 11.1561 11.1561 11.2267 11.2267 11.2475 11.2475 11.3152 11.3152 12.7204 12.7204 12.7714 12.7714 13.1715 13.1715 13.2015 13.2015 13.2740 13.2740 14.2457 14.2457 14.3228 14.3228 14.4222 14.4222 14.7509 14.7509 14.7939 14.7939 14.7965 14.7965 14.9658 14.9658 15.1058 15.1058 15.2784 15.2784 15.3991 15.3991 15.7720 15.7720 k = 0.4322 0.5000 0.4322 ( 2570 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0573 -30.0573 -30.0571 -30.0571 -1.0929 -1.0929 6.7808 6.7808 6.8337 6.8337 6.8610 6.8610 11.1580 11.1580 11.2300 11.2300 11.2586 11.2586 11.3247 11.3247 12.7063 12.7063 12.7744 12.7744 13.1677 13.1677 13.2047 13.2047 13.2792 13.2792 14.1682 14.1682 14.2411 14.2411 14.3389 14.3389 14.7353 14.7353 14.7907 14.7907 14.7927 14.7927 14.9639 14.9639 15.1092 15.1092 15.3133 15.3133 15.4067 15.4067 15.8764 15.8764 k = 0.4237 0.5000 0.4237 ( 2574 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0573 -30.0573 -30.0571 -30.0571 -1.1067 -1.1067 6.7881 6.7881 6.8550 6.8550 6.8886 6.8886 11.1594 11.1594 11.2332 11.2332 11.2714 11.2714 11.3360 11.3360 12.6897 12.6897 12.7777 12.7777 13.1638 13.1638 13.2076 13.2076 13.2863 13.2863 14.0901 14.0901 14.1609 14.1609 14.2525 14.2525 14.7177 14.7177 14.7841 14.7841 14.7913 14.7913 14.9617 14.9617 15.1108 15.1108 15.3439 15.3439 15.4124 15.4124 15.9846 15.9846 k = 0.4153 0.5000 0.4153 ( 2582 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0574 -30.0574 -30.0570 -30.0570 -1.1218 -1.1218 6.7960 6.7960 6.8788 6.8788 6.9192 6.9192 11.1601 11.1601 11.2363 11.2363 11.2859 11.2859 11.3490 11.3490 12.6702 12.6702 12.7812 12.7812 13.1595 13.1595 13.2102 13.2102 13.2953 13.2953 14.0110 14.0110 14.0836 14.0836 14.1641 14.1641 14.6983 14.6983 14.7766 14.7766 14.7897 14.7897 14.9591 14.9591 15.1110 15.1110 15.3696 15.3696 15.4167 15.4167 16.0959 16.0959 k = 0.4068 0.5000 0.4068 ( 2588 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0574 -30.0574 -30.0569 -30.0569 -1.1383 -1.1383 6.8046 6.8046 6.9049 6.9049 6.9527 6.9527 11.1601 11.1601 11.2393 11.2393 11.3020 11.3020 11.3639 11.3639 12.6479 12.6479 12.7849 12.7849 13.1551 13.1551 13.2127 13.2127 13.3061 13.3061 13.9305 13.9305 14.0098 14.0098 14.0749 14.0749 14.6771 14.6771 14.7684 14.7684 14.7879 14.7879 14.9563 14.9563 15.1102 15.1102 15.3891 15.3891 15.4210 15.4210 16.2096 16.2096 k = 0.3983 0.5000 0.3983 ( 2588 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0574 -30.0574 -30.0569 -30.0569 -1.1561 -1.1561 6.8138 6.8138 6.9333 6.9333 6.9891 6.9891 11.1594 11.1594 11.2422 11.2422 11.3197 11.3197 11.3805 11.3805 12.6226 12.6226 12.7886 12.7886 13.1504 13.1504 13.2151 13.2151 13.3187 13.3187 13.8488 13.8488 13.9398 13.9398 13.9861 13.9861 14.6545 14.6545 14.7596 14.7596 14.7860 14.7860 14.9533 14.9533 15.1087 15.1087 15.3996 15.3996 15.4282 15.4282 16.3258 16.3258 k = 0.3898 0.5000 0.3898 ( 2584 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0574 -30.0574 -30.0568 -30.0568 -1.1750 -1.1750 6.8236 6.8236 6.9640 6.9640 7.0281 7.0281 11.1579 11.1579 11.2448 11.2448 11.3389 11.3389 11.3988 11.3988 12.5945 12.5945 12.7919 12.7919 13.1454 13.1454 13.2177 13.2177 13.3330 13.3330 13.7662 13.7662 13.8716 13.8716 13.9007 13.9007 14.6304 14.6304 14.7502 14.7502 14.7838 14.7838 14.9500 14.9500 15.1065 15.1065 15.4015 15.4015 15.4386 15.4386 16.4439 16.4439 k = 0.3814 0.5000 0.3814 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9620 -33.9620 -30.0574 -30.0574 -30.0567 -30.0567 -1.1951 -1.1951 6.8339 6.8339 6.9970 6.9970 7.0697 7.0697 11.1555 11.1555 11.2472 11.2472 11.3594 11.3594 11.4187 11.4187 12.5633 12.5633 12.7947 12.7947 13.1402 13.1402 13.2202 13.2202 13.3487 13.3487 13.6832 13.6832 13.7975 13.7975 13.8271 13.8271 14.6049 14.6049 14.7403 14.7403 14.7814 14.7814 14.9465 14.9465 15.1038 15.1038 15.3987 15.3987 15.4483 15.4483 16.5638 16.5638 k = 0.3729 0.5000 0.3729 ( 2590 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0574 -30.0574 -30.0566 -30.0566 -1.2162 -1.2162 6.8446 6.8446 7.0322 7.0322 7.1138 7.1138 11.1521 11.1521 11.2494 11.2494 11.3812 11.3812 11.4401 11.4401 12.5295 12.5295 12.7965 12.7965 13.1348 13.1348 13.2225 13.2225 13.3659 13.3659 13.6005 13.6005 13.7163 13.7163 13.7677 13.7677 14.5783 14.5783 14.7300 14.7300 14.7788 14.7788 14.9428 14.9428 15.1007 15.1007 15.3933 15.3933 15.4558 15.4558 16.6854 16.6854 k = 0.3644 0.5000 0.3644 ( 2598 PWs) bands (ev): -63.3728 -63.3728 -33.9620 -33.9620 -30.0574 -30.0574 -30.0565 -30.0565 -1.2383 -1.2383 6.8558 6.8558 7.0695 7.0695 7.1601 7.1601 11.1477 11.1477 11.2514 11.2514 11.4040 11.4040 11.4629 11.4629 12.4931 12.4931 12.7966 12.7966 13.1291 13.1291 13.2243 13.2243 13.3842 13.3842 13.5184 13.5184 13.6361 13.6361 13.7157 13.7157 14.5505 14.5505 14.7192 14.7192 14.7760 14.7760 14.9389 14.9389 15.0972 15.0972 15.3861 15.3861 15.4606 15.4606 16.8083 16.8083 k = 0.3559 0.5000 0.3559 ( 2598 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0574 -30.0574 -30.0564 -30.0564 -1.2612 -1.2612 6.8672 6.8672 7.1089 7.1089 7.2087 7.2087 11.1422 11.1422 11.2532 11.2532 11.4279 11.4279 11.4871 11.4871 12.4544 12.4544 12.7944 12.7944 13.1233 13.1233 13.2251 13.2251 13.4032 13.4032 13.4377 13.4377 13.5603 13.5603 13.6693 13.6693 14.5218 14.5218 14.7083 14.7083 14.7728 14.7728 14.9349 14.9349 15.0933 15.0933 15.3775 15.3775 15.4628 15.4628 16.9320 16.9320 k = 0.3475 0.5000 0.3475 ( 2598 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0574 -30.0574 -30.0563 -30.0563 -1.2850 -1.2850 6.8790 6.8790 7.1503 7.1503 7.2593 7.2593 11.1354 11.1354 11.2549 11.2549 11.4526 11.4526 11.5126 11.5126 12.4135 12.4135 12.7888 12.7888 13.1174 13.1174 13.2241 13.2241 13.3563 13.3563 13.4250 13.4250 13.4911 13.4911 13.6288 13.6288 14.4924 14.4924 14.6971 14.6971 14.7694 14.7694 14.9306 14.9306 15.0891 15.0891 15.3677 15.3677 15.4624 15.4624 17.0519 17.0519 k = 0.3390 0.5000 0.3390 ( 2606 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0574 -30.0574 -30.0562 -30.0562 -1.3094 -1.3094 6.8909 6.8909 7.1937 7.1937 7.3117 7.3117 11.1273 11.1273 11.2562 11.2562 11.4780 11.4780 11.5392 11.5392 12.3707 12.3707 12.7786 12.7786 13.1112 13.1112 13.2203 13.2203 13.2775 13.2775 13.4296 13.4296 13.4467 13.4467 13.5946 13.5946 14.4622 14.4622 14.6858 14.6858 14.7658 14.7658 14.9263 14.9263 15.0846 15.0846 15.3569 15.3569 15.4596 15.4596 17.0854 17.0854 k = 0.3305 0.5000 0.3305 ( 2606 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0574 -30.0574 -30.0561 -30.0561 -1.3345 -1.3345 6.9029 6.9029 7.2389 7.2389 7.3660 7.3660 11.1178 11.1178 11.2574 11.2574 11.5039 11.5039 11.5670 11.5670 12.3265 12.3265 12.7629 12.7629 13.1044 13.1044 13.2002 13.2002 13.2132 13.2132 13.3784 13.3784 13.4685 13.4685 13.5677 13.5677 14.4314 14.4314 14.6746 14.6746 14.7618 14.7618 14.9218 14.9218 15.0799 15.0799 15.3453 15.3453 15.4547 15.4547 17.0443 17.0443 k = 0.3220 0.5000 0.3220 ( 2602 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0574 -30.0574 -30.0559 -30.0559 -1.3600 -1.3600 6.9151 6.9151 7.2860 7.2860 7.4218 7.4218 11.1068 11.1068 11.2584 11.2584 11.5301 11.5301 11.5958 11.5958 12.2810 12.2810 12.7408 12.7408 13.0921 13.0921 13.1301 13.1301 13.2021 13.2021 13.3374 13.3374 13.4905 13.4905 13.5493 13.5493 14.4003 14.4003 14.6636 14.6636 14.7575 14.7575 14.9171 14.9171 15.0749 15.0749 15.3329 15.3329 15.4477 15.4477 16.9973 16.9973 k = 0.3136 0.5000 0.3136 ( 2602 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0574 -30.0574 -30.0558 -30.0558 -1.3861 -1.3861 6.9272 6.9272 7.3348 7.3348 7.4790 7.4790 11.0942 11.0942 11.2591 11.2591 11.5562 11.5562 11.6257 11.6257 12.2346 12.2346 12.7123 12.7123 13.0388 13.0388 13.1025 13.1025 13.1875 13.1875 13.3065 13.3065 13.5095 13.5095 13.5424 13.5424 14.3689 14.3689 14.6527 14.6527 14.7529 14.7529 14.9124 14.9124 15.0696 15.0696 15.3201 15.3201 15.4390 15.4390 16.9475 16.9475 k = 0.3051 0.5000 0.3051 ( 2606 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0574 -30.0574 -30.0557 -30.0557 -1.4125 -1.4125 6.9392 6.9392 7.3853 7.3853 7.5376 7.5376 11.0799 11.0799 11.2596 11.2596 11.5819 11.5819 11.6567 11.6567 12.1876 12.1876 12.6784 12.6784 12.9667 12.9667 13.0954 13.0954 13.1697 13.1697 13.2848 13.2848 13.5183 13.5183 13.5534 13.5534 14.3374 14.3374 14.6423 14.6423 14.7478 14.7478 14.9077 14.9077 15.0641 15.0641 15.3068 15.3068 15.4285 15.4285 16.8956 16.8956 k = 0.2966 0.5000 0.2966 ( 2606 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0574 -30.0574 -30.0555 -30.0555 -1.4392 -1.4392 6.9511 6.9511 7.4373 7.4373 7.5972 7.5972 11.0639 11.0639 11.2598 11.2598 11.6069 11.6069 11.6887 11.6887 12.1404 12.1404 12.6405 12.6405 12.8944 12.8944 13.0903 13.0903 13.1493 13.1493 13.2716 13.2716 13.5227 13.5227 13.5757 13.5757 14.3057 14.3057 14.6323 14.6323 14.7425 14.7425 14.9029 14.9029 15.0584 15.0584 15.2933 15.2933 15.4166 15.4166 16.8417 16.8417 k = 0.2881 0.5000 0.2881 ( 2598 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0574 -30.0574 -30.0554 -30.0554 -1.4660 -1.4660 6.9628 6.9628 7.4907 7.4907 7.6577 7.6577 11.0461 11.0461 11.2599 11.2599 11.6308 11.6308 11.7218 11.7218 12.0934 12.0934 12.6004 12.6004 12.8236 12.8236 13.0851 13.0851 13.1270 13.1270 13.2661 13.2661 13.5296 13.5296 13.6011 13.6011 14.2742 14.2742 14.6229 14.6229 14.7368 14.7368 14.8980 14.8980 15.0525 15.0525 15.2798 15.2798 15.4034 15.4034 16.7860 16.7860 k = 0.2797 0.5000 0.2797 ( 2598 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0574 -30.0574 -30.0552 -30.0552 -1.4930 -1.4930 6.9742 6.9742 7.5456 7.5456 7.7190 7.7190 11.0266 11.0266 11.2596 11.2596 11.6529 11.6529 11.7558 11.7558 12.0470 12.0470 12.5599 12.5599 12.7547 12.7547 13.0768 13.0768 13.1060 13.1060 13.2671 13.2671 13.5398 13.5398 13.6278 13.6278 14.2429 14.2429 14.6142 14.6142 14.7308 14.7308 14.8932 14.8932 15.0465 15.0465 15.2663 15.2663 15.3889 15.3889 16.7285 16.7285 k = 0.2712 0.5000 0.2712 ( 2594 PWs) bands (ev): -63.3728 -63.3728 -33.9615 -33.9615 -30.0573 -30.0573 -30.0551 -30.0551 -1.5200 -1.5200 6.9853 6.9853 7.6016 7.6016 7.7809 7.7809 11.0053 11.0053 11.2591 11.2591 11.6728 11.6728 11.7906 11.7906 12.0020 12.0020 12.5206 12.5206 12.6880 12.6880 13.0594 13.0594 13.0930 13.0930 13.2730 13.2730 13.5527 13.5527 13.6552 13.6552 14.2118 14.2118 14.6061 14.6061 14.7244 14.7244 14.8883 14.8883 15.0402 15.0402 15.2531 15.2531 15.3733 15.3733 16.6694 16.6694 k = 0.2627 0.5000 0.2627 ( 2594 PWs) bands (ev): -63.3728 -63.3728 -33.9614 -33.9614 -30.0573 -30.0573 -30.0549 -30.0549 -1.5470 -1.5470 6.9960 6.9960 7.6588 7.6588 7.8431 7.8431 10.9823 10.9823 11.2583 11.2583 11.6894 11.6894 11.8255 11.8255 11.9596 11.9596 12.4835 12.4835 12.6237 12.6237 13.0340 13.0340 13.0874 13.0874 13.2827 13.2827 13.5679 13.5679 13.6830 13.6830 14.1812 14.1812 14.5986 14.5986 14.7176 14.7176 14.8836 14.8836 15.0338 15.0338 15.2405 15.2405 15.3568 15.3568 16.6087 16.6087 k = 0.2542 0.5000 0.2542 ( 2606 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0573 -30.0573 -30.0548 -30.0548 -1.5739 -1.5739 7.0062 7.0062 7.7170 7.7170 7.9055 7.9055 10.9577 10.9577 11.2572 11.2572 11.7016 11.7016 11.8569 11.8569 11.9243 11.9243 12.4493 12.4493 12.5622 12.5622 13.0059 13.0059 13.0843 13.0843 13.2950 13.2950 13.5849 13.5849 13.7112 13.7112 14.1510 14.1510 14.5918 14.5918 14.7104 14.7104 14.8788 14.8788 15.0272 15.0272 15.2286 15.2286 15.3394 15.3394 16.5467 16.5467 k = 0.2458 0.5000 0.2458 ( 2614 PWs) bands (ev): -63.3729 -63.3729 -33.9614 -33.9614 -30.0573 -30.0573 -30.0546 -30.0546 -1.6006 -1.6006 7.0158 7.0158 7.7761 7.7761 7.9679 7.9679 10.9317 10.9317 11.2559 11.2559 11.7073 11.7073 11.8621 11.8621 11.9211 11.9211 12.4183 12.4183 12.5044 12.5044 12.9770 12.9770 13.0824 13.0824 13.3091 13.3091 13.6033 13.6033 13.7396 13.7396 14.1215 14.1215 14.5854 14.5854 14.7028 14.7028 14.8742 14.8742 15.0204 15.0204 15.2178 15.2178 15.3214 15.3214 16.4834 16.4834 k = 0.2373 0.5000 0.2373 ( 2606 PWs) bands (ev): -63.3729 -63.3729 -33.9613 -33.9613 -30.0573 -30.0573 -30.0544 -30.0544 -1.6270 -1.6270 7.0250 7.0250 7.8359 7.8359 8.0301 8.0301 10.9044 10.9044 11.2543 11.2543 11.7035 11.7035 11.8410 11.8410 11.9528 11.9528 12.3890 12.3890 12.4523 12.4523 12.9480 12.9480 13.0812 13.0812 13.3244 13.3244 13.6228 13.6228 13.7680 13.7680 14.0928 14.0928 14.5795 14.5795 14.6949 14.6949 14.8697 14.8697 15.0136 15.0136 15.2085 15.2085 15.3027 15.3027 16.4190 16.4190 k = 0.2288 0.5000 0.2288 ( 2610 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0573 -30.0573 -30.0543 -30.0543 -1.6531 -1.6531 7.0335 7.0335 7.8963 7.8963 8.0919 8.0919 10.8761 10.8761 11.2523 11.2523 11.6877 11.6877 11.8237 11.8237 11.9913 11.9913 12.3566 12.3566 12.4110 12.4110 12.9192 12.9192 13.0804 13.0804 13.3403 13.3403 13.6432 13.6432 13.7964 13.7964 14.0648 14.0648 14.5737 14.5737 14.6867 14.6867 14.8654 14.8654 15.0065 15.0065 15.2010 15.2010 15.2837 15.2837 16.3536 16.3536 k = 0.2203 0.5000 0.2203 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9612 -33.9612 -30.0573 -30.0573 -30.0541 -30.0541 -1.6788 -1.6788 7.0413 7.0413 7.9572 7.9572 8.1532 8.1532 10.8469 10.8469 11.2501 11.2501 11.6614 11.6614 11.8139 11.8139 12.0318 12.0318 12.3164 12.3164 12.3854 12.3854 12.8907 12.8907 13.0801 13.0801 13.3565 13.3565 13.6642 13.6642 13.8246 13.8246 14.0377 14.0377 14.5677 14.5677 14.6781 14.6781 14.8612 14.8612 14.9994 14.9994 15.1956 15.1956 15.2643 15.2643 16.2874 16.2874 k = 0.2119 0.5000 0.2119 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0573 -30.0573 -30.0540 -30.0540 -1.7040 -1.7040 7.0485 7.0485 8.0183 8.0183 8.2137 8.2137 10.8173 10.8173 11.2475 11.2475 11.6287 11.6287 11.8083 11.8083 12.0734 12.0734 12.2724 12.2724 12.3716 12.3716 12.8628 12.8628 13.0801 13.0801 13.3727 13.3727 13.6857 13.6857 13.8523 13.8523 14.0116 14.0116 14.5612 14.5612 14.6692 14.6692 14.8572 14.8572 14.9923 14.9923 15.1927 15.1927 15.2449 15.2449 16.2205 16.2205 k = 0.2034 0.5000 0.2034 ( 2608 PWs) bands (ev): -63.3729 -63.3729 -33.9611 -33.9611 -30.0573 -30.0573 -30.0538 -30.0538 -1.7288 -1.7288 7.0550 7.0550 8.0796 8.0796 8.2731 8.2731 10.7873 10.7873 11.2445 11.2445 11.5930 11.5930 11.8040 11.8040 12.1155 12.1155 12.2292 12.2292 12.3649 12.3649 12.8355 12.8355 13.0803 13.0803 13.3887 13.3887 13.7075 13.7075 13.8794 13.8794 13.9866 13.9866 14.5538 14.5538 14.6599 14.6599 14.8535 14.8535 14.9850 14.9850 15.1923 15.1923 15.2258 15.2258 16.1532 16.1532 k = 0.1949 0.5000 0.1949 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9610 -33.9610 -30.0572 -30.0572 -30.0536 -30.0536 -1.7529 -1.7529 7.0609 7.0609 8.1408 8.1408 8.3315 8.3315 10.7572 10.7572 11.2411 11.2411 11.5564 11.5564 11.7997 11.7997 12.1551 12.1551 12.1916 12.1916 12.3632 12.3632 12.8090 12.8090 13.0808 13.0808 13.4044 13.4044 13.7296 13.7296 13.9055 13.9055 13.9632 13.9632 14.5451 14.5451 14.6501 14.6501 14.8500 14.8500 14.9776 14.9776 15.1921 15.1921 15.2098 15.2098 16.0857 16.0857 k = 0.1864 0.5000 0.1864 ( 2604 PWs) bands (ev): -63.3729 -63.3729 -33.9609 -33.9609 -30.0572 -30.0572 -30.0535 -30.0535 -1.7765 -1.7765 7.0660 7.0660 8.2018 8.2018 8.3884 8.3884 10.7274 10.7274 11.2371 11.2371 11.5199 11.5199 11.7949 11.7949 12.1445 12.1445 12.2075 12.2075 12.3653 12.3653 12.7832 12.7832 13.0813 13.0813 13.4197 13.4197 13.7517 13.7517 13.9260 13.9260 13.9455 13.9455 14.5350 14.5350 14.6398 14.6398 14.8468 14.8468 14.9703 14.9703 15.1808 15.1808 15.2085 15.2085 16.0181 16.0181 k = 0.1780 0.5000 0.1780 ( 2596 PWs) bands (ev): -63.3729 -63.3729 -33.9609 -33.9609 -30.0572 -30.0572 -30.0533 -30.0533 -1.7993 -1.7993 7.0704 7.0704 8.2623 8.2623 8.4439 8.4439 10.6980 10.6980 11.2326 11.2326 11.4839 11.4839 11.7894 11.7894 12.1106 12.1106 12.2506 12.2506 12.3704 12.3704 12.7582 12.7582 13.0820 13.0820 13.4348 13.4348 13.7736 13.7736 13.9147 13.9147 13.9598 13.9598 14.5232 14.5232 14.6288 14.6288 14.8440 14.8440 14.9629 14.9629 15.1626 15.1626 15.2180 15.2180 15.9509 15.9509 k = 0.1695 0.5000 0.1695 ( 2596 PWs) bands (ev): -63.3729 -63.3729 -33.9608 -33.9608 -30.0572 -30.0572 -30.0531 -30.0531 -1.8215 -1.8215 7.0741 7.0741 8.3222 8.3222 8.4976 8.4976 10.6693 10.6693 11.2275 11.2275 11.4488 11.4488 11.7835 11.7835 12.0790 12.0790 12.2950 12.2950 12.3778 12.3778 12.7342 12.7342 13.0827 13.0827 13.4496 13.4496 13.7953 13.7953 13.8952 13.8952 13.9824 13.9824 14.5097 14.5097 14.6170 14.6170 14.8414 14.8414 14.9555 14.9555 15.1437 15.1437 15.2322 15.2322 15.8841 15.8841 k = 0.1610 0.5000 0.1610 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9608 -33.9608 -30.0572 -30.0572 -30.0530 -30.0530 -1.8428 -1.8428 7.0771 7.0771 8.3813 8.3813 8.5494 8.5494 10.6414 10.6414 11.2217 11.2217 11.4149 11.4149 11.7772 11.7772 12.0507 12.0507 12.3390 12.3390 12.3875 12.3875 12.7110 12.7110 13.0832 13.0832 13.4642 13.4642 13.8162 13.8162 13.8767 13.8767 14.0041 14.0041 14.4944 14.4944 14.6044 14.6044 14.8393 14.8393 14.9480 14.9480 15.1248 15.1248 15.2500 15.2500 15.8180 15.8180 k = 0.1525 0.5000 0.1525 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0572 -30.0572 -30.0529 -30.0529 -1.8633 -1.8633 7.0796 7.0796 8.4393 8.4393 8.5992 8.5992 10.6145 10.6145 11.2153 11.2153 11.3823 11.3823 11.7709 11.7709 12.0260 12.0260 12.3783 12.3783 12.4033 12.4033 12.6889 12.6889 13.0838 13.0838 13.4788 13.4788 13.8341 13.8341 13.8620 13.8620 14.0242 14.0242 14.4775 14.4775 14.5910 14.5910 14.8377 14.8377 14.9408 14.9408 15.1064 15.1064 15.2711 15.2711 15.7530 15.7530 k = 0.1441 0.5000 0.1441 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9607 -33.9607 -30.0572 -30.0572 -30.0527 -30.0527 -1.8830 -1.8830 7.0814 7.0814 8.4960 8.4960 8.6468 8.6468 10.5889 10.5889 11.2081 11.2081 11.3511 11.3511 11.7647 11.7647 12.0050 12.0050 12.3987 12.3987 12.4385 12.4385 12.6678 12.6678 13.0843 13.0843 13.4936 13.4936 13.8343 13.8343 13.8656 13.8656 14.0421 14.0421 14.4590 14.4590 14.5770 14.5770 14.8365 14.8365 14.9335 14.9335 15.0886 15.0886 15.2948 15.2948 15.6894 15.6894 k = 0.1356 0.5000 0.1356 ( 2608 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0571 -30.0571 -30.0526 -30.0526 -1.9017 -1.9017 7.0826 7.0826 8.5512 8.5512 8.6921 8.6921 10.5645 10.5645 11.2003 11.2003 11.3215 11.3215 11.7588 11.7588 11.9877 11.9877 12.4104 12.4104 12.4824 12.4824 12.6479 12.6479 13.0846 13.0846 13.5087 13.5087 13.8211 13.8211 13.8835 13.8835 14.0576 14.0576 14.4391 14.4391 14.5626 14.5626 14.8359 14.8359 14.9264 14.9264 15.0714 15.0714 15.3207 15.3207 15.6275 15.6275 k = 0.1271 0.5000 0.1271 ( 2614 PWs) bands (ev): -63.3730 -63.3730 -33.9606 -33.9606 -30.0571 -30.0571 -30.0524 -30.0524 -1.9195 -1.9195 7.0834 7.0834 8.6047 8.6047 8.7349 8.7349 10.5415 10.5415 11.1918 11.1918 11.2933 11.2933 11.7531 11.7531 11.9738 11.9738 12.4205 12.4205 12.5272 12.5272 12.6295 12.6295 13.0849 13.0849 13.5242 13.5242 13.8073 13.8073 13.9025 13.9025 14.0702 14.0702 14.4178 14.4178 14.5479 14.5479 14.8359 14.8359 14.9194 14.9194 15.0549 15.0549 15.3481 15.3481 15.5679 15.5679 k = 0.1186 0.5000 0.1186 ( 2622 PWs) bands (ev): -63.3730 -63.3730 -33.9605 -33.9605 -30.0571 -30.0571 -30.0523 -30.0523 -1.9363 -1.9363 7.0837 7.0837 8.6562 8.6562 8.7752 8.7752 10.5199 10.5199 11.1828 11.1828 11.2668 11.2668 11.7479 11.7479 11.9632 11.9632 12.4298 12.4298 12.5698 12.5698 12.6145 12.6145 13.0851 13.0851 13.5401 13.5401 13.7943 13.7943 13.9213 13.9213 14.0794 14.0794 14.3953 14.3953 14.5335 14.5335 14.8366 14.8366 14.9126 14.9126 15.0393 15.0393 15.3756 15.3756 15.5114 15.5114 k = 0.1102 0.5000 0.1102 ( 2616 PWs) bands (ev): -63.3730 -63.3730 -33.9605 -33.9605 -30.0571 -30.0571 -30.0522 -30.0522 -1.9521 -1.9521 7.0836 7.0836 8.7056 8.7056 8.8129 8.8129 10.4998 10.4998 11.1734 11.1734 11.2420 11.2420 11.7431 11.7431 11.9558 11.9558 12.4383 12.4383 12.5864 12.5864 12.6264 12.6264 13.0854 13.0854 13.5565 13.5565 13.7827 13.7827 13.9394 13.9394 14.0848 14.0848 14.3719 14.3719 14.5197 14.5197 14.8380 14.8380 14.9061 14.9061 15.0247 15.0247 15.3991 15.3991 15.4620 15.4620 k = 0.1017 0.5000 0.1017 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0571 -30.0571 -30.0521 -30.0521 -1.9668 -1.9668 7.0832 7.0832 8.7524 8.7524 8.8479 8.8479 10.4813 10.4813 11.1638 11.1638 11.2189 11.2189 11.7388 11.7388 11.9511 11.9511 12.4460 12.4460 12.5743 12.5743 12.6674 12.6674 13.0858 13.0858 13.5731 13.5731 13.7726 13.7726 13.9567 13.9567 14.0862 14.0862 14.3475 14.3475 14.5069 14.5069 14.8402 14.8402 14.8999 14.8999 15.0110 15.0110 15.3881 15.3881 15.4500 15.4500 k = 0.0932 0.5000 0.0932 ( 2620 PWs) bands (ev): -63.3730 -63.3730 -33.9604 -33.9604 -30.0571 -30.0571 -30.0520 -30.0520 -1.9805 -1.9805 7.0825 7.0825 8.7966 8.7966 8.8802 8.8802 10.4643 10.4643 11.1540 11.1540 11.1975 11.1975 11.7349 11.7349 11.9489 11.9489 12.4529 12.4529 12.5605 12.5605 12.7103 12.7103 13.0864 13.0864 13.5898 13.5898 13.7643 13.7643 13.9728 13.9728 14.0831 14.0831 14.3223 14.3223 14.4955 14.4955 14.8431 14.8431 14.8940 14.8940 14.9985 14.9985 15.3444 15.3444 15.4731 15.4731 k = 0.0847 0.5000 0.0847 ( 2624 PWs) bands (ev): -63.3731 -63.3731 -33.9604 -33.9604 -30.0571 -30.0571 -30.0519 -30.0519 -1.9931 -1.9931 7.0816 7.0816 8.8378 8.8378 8.9097 8.9097 10.4489 10.4489 11.1444 11.1444 11.1780 11.1780 11.7315 11.7315 11.9488 11.9488 12.4589 12.4589 12.5475 12.5475 12.7521 12.7521 13.0876 13.0876 13.6060 13.6060 13.7584 13.7584 13.9878 13.9878 14.0759 14.0759 14.2964 14.2964 14.4858 14.4858 14.8468 14.8468 14.8886 14.8886 14.9871 14.9871 15.2992 15.2992 15.4998 15.4998 k = 0.0763 0.5000 0.0763 ( 2626 PWs) bands (ev): -63.3731 -63.3731 -33.9604 -33.9604 -30.0571 -30.0571 -30.0518 -30.0518 -2.0045 -2.0045 7.0805 7.0805 8.8759 8.8759 8.9364 8.9364 10.4350 10.4350 11.1350 11.1350 11.1602 11.1602 11.7285 11.7285 11.9504 11.9504 12.4640 12.4640 12.5355 12.5355 12.7921 12.7921 13.0896 13.0896 13.6210 13.6210 13.7556 13.7556 14.0012 14.0012 14.0648 14.0648 14.2699 14.2699 14.4779 14.4779 14.8511 14.8511 14.8838 14.8838 14.9769 14.9769 15.2563 15.2563 15.5260 15.5260 k = 0.0678 0.5000 0.0678 ( 2626 PWs) bands (ev): -63.3731 -63.3731 -33.9603 -33.9603 -30.0571 -30.0571 -30.0517 -30.0517 -2.0148 -2.0148 7.0794 7.0794 8.9106 8.9106 8.9604 8.9604 10.4226 10.4226 11.1260 11.1260 11.1444 11.1444 11.7259 11.7259 11.9532 11.9532 12.4684 12.4684 12.5246 12.5246 12.8294 12.8294 13.0927 13.0927 13.6337 13.6337 13.7566 13.7566 14.0125 14.0125 14.0512 14.0512 14.2430 14.2430 14.4719 14.4719 14.8556 14.8556 14.8800 14.8800 14.9681 14.9681 15.2164 15.2164 15.5508 15.5508 k = 0.0593 0.5000 0.0593 ( 2622 PWs) bands (ev): -63.3731 -63.3731 -33.9603 -33.9603 -30.0571 -30.0571 -30.0516 -30.0516 -2.0240 -2.0240 7.0783 7.0783 8.9416 8.9416 8.9816 8.9816 10.4118 10.4118 11.1176 11.1176 11.1304 11.1304 11.7238 11.7238 11.9569 11.9569 12.4719 12.4719 12.5151 12.5151 12.8632 12.8632 13.0973 13.0973 13.6432 13.6432 13.7625 13.7625 14.0176 14.0176 14.0397 14.0397 14.2160 14.2160 14.4676 14.4676 14.8596 14.8596 14.8779 14.8779 14.9609 14.9609 15.1796 15.1796 15.5736 15.5736 k = 0.0508 0.5000 0.0508 ( 2612 PWs) bands (ev): -63.3730 -63.3730 -33.9603 -33.9603 -30.0570 -30.0570 -30.0515 -30.0515 -2.0319 -2.0319 7.0772 7.0772 8.9688 8.9688 9.0000 9.0000 10.4025 10.4025 11.1098 11.1098 11.1185 11.1185 11.7221 11.7221 11.9610 11.9610 12.4748 12.4748 12.5068 12.5068 12.8926 12.8926 13.1038 13.1038 13.6491 13.6491 13.7732 13.7732 14.0070 14.0070 14.0407 14.0407 14.1892 14.1892 14.4645 14.4645 14.8615 14.8615 14.8789 14.8789 14.9553 14.9553 15.1461 15.1461 15.5940 15.5940 k = 0.0424 0.5000 0.0424 ( 2612 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0570 -30.0570 -30.0515 -30.0515 -2.0387 -2.0387 7.0762 7.0762 8.9919 8.9919 9.0158 9.0158 10.3947 10.3947 11.1026 11.1026 11.1087 11.1087 11.7206 11.7206 11.9653 11.9653 12.4769 12.4769 12.5000 12.5000 12.9169 12.9169 13.1121 13.1121 13.6520 13.6520 13.7877 13.7877 13.9894 13.9894 14.0465 14.0465 14.1635 14.1635 14.4625 14.4625 14.8609 14.8609 14.8829 14.8829 14.9517 14.9517 15.1157 15.1157 15.6117 15.6117 k = 0.0339 0.5000 0.0339 ( 2616 PWs) bands (ev): -63.3731 -63.3731 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0442 -2.0442 7.0753 7.0753 9.0107 9.0107 9.0291 9.0291 10.3883 10.3883 11.0960 11.0960 11.1013 11.1013 11.7193 11.7193 11.9692 11.9692 12.4782 12.4782 12.4946 12.4946 12.9356 12.9356 13.1218 13.1218 13.6529 13.6529 13.8045 13.8045 13.9714 13.9714 14.0511 14.0511 14.1400 14.1400 14.4613 14.4613 14.8593 14.8593 14.8879 14.8879 14.9506 14.9506 15.0887 15.0887 15.6266 15.6266 k = 0.0254 0.5000 0.0254 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0485 -2.0485 7.0746 7.0746 9.0251 9.0251 9.0398 9.0398 10.3834 10.3834 11.0903 11.0903 11.0960 11.0960 11.7184 11.7184 11.9726 11.9726 12.4788 12.4788 12.4908 12.4908 12.9491 12.9491 13.1319 13.1319 13.6527 13.6527 13.8217 13.8217 13.9553 13.9553 14.0530 14.0530 14.1203 14.1203 14.4605 14.4605 14.8577 14.8577 14.8925 14.8925 14.9522 14.9522 15.0651 15.0651 15.6383 15.6383 k = 0.0169 0.5000 0.0169 ( 2606 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0514 -30.0514 -2.0516 -2.0516 7.0740 7.0740 9.0348 9.0348 9.0480 9.0480 10.3799 10.3799 11.0859 11.0859 11.0924 11.0924 11.7178 11.7178 11.9752 11.9752 12.4787 12.4787 12.4886 12.4886 12.9580 12.9580 13.1408 13.1408 13.6521 13.6521 13.8372 13.8372 13.9424 13.9424 14.0515 14.0515 14.1067 14.1067 14.4601 14.4601 14.8564 14.8564 14.8957 14.8957 14.9563 14.9563 15.0455 15.0455 15.6468 15.6468 k = 0.0085 0.5000 0.0085 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0535 -2.0535 7.0737 7.0737 9.0405 9.0405 9.0532 9.0532 10.3778 10.3778 11.0833 11.0833 11.0903 11.0903 11.7174 11.7174 11.9768 11.9768 12.4782 12.4782 12.4877 12.4877 12.9630 12.9630 13.1468 13.1468 13.6516 13.6516 13.8483 13.8483 13.9340 13.9340 14.0480 14.0480 14.0996 14.0996 14.4600 14.4600 14.8556 14.8556 14.8976 14.8976 14.9611 14.9611 15.0316 15.0316 15.6521 15.6521 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -63.3730 -63.3730 -33.9602 -33.9602 -30.0570 -30.0570 -30.0513 -30.0513 -2.0541 -2.0541 7.0736 7.0736 9.0423 9.0423 9.0550 9.0550 10.3770 10.3770 11.0824 11.0824 11.0896 11.0896 11.7173 11.7173 11.9774 11.9774 12.4780 12.4780 12.4875 12.4875 12.9646 12.9646 13.1490 13.1490 13.6514 13.6514 13.8525 13.8525 13.9310 13.9310 14.0462 14.0462 14.0976 14.0976 14.4599 14.4599 14.8553 14.8553 14.8981 14.8981 14.9635 14.9635 15.0262 15.0262 15.6538 15.6538 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5692 -1.5692 7.1007 7.1007 7.1132 7.1132 8.7611 8.7611 11.2357 11.2357 11.3526 11.3526 11.7666 11.7666 11.8317 11.8317 12.2158 12.2158 12.2509 12.2509 12.2819 12.2819 12.8557 12.8557 13.1791 13.1791 13.2599 13.2599 13.4919 13.4919 13.9933 13.9933 14.0998 14.0998 14.1346 14.1346 14.1647 14.1647 14.3958 14.3958 15.1807 15.1807 15.5430 15.5430 15.5902 15.5902 15.6947 15.6947 k = 0.5000 0.5000 0.0119 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5686 -1.5686 7.1002 7.1002 7.1127 7.1127 8.7577 8.7577 11.2361 11.2361 11.3530 11.3530 11.7645 11.7645 11.8295 11.8295 12.2189 12.2189 12.2546 12.2546 12.2815 12.2815 12.8580 12.8580 13.1787 13.1787 13.2594 13.2594 13.4899 13.4899 13.9847 13.9847 14.1068 14.1068 14.1378 14.1378 14.1660 14.1660 14.3981 14.3981 15.1705 15.1705 15.5557 15.5557 15.5902 15.5902 15.6950 15.6950 k = 0.5000 0.5000 0.0238 ( 2624 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5666 -1.5666 7.0985 7.0985 7.1110 7.1110 8.7474 8.7474 11.2373 11.2373 11.3539 11.3539 11.7585 11.7585 11.8230 11.8230 12.2276 12.2276 12.2654 12.2654 12.2806 12.2806 12.8647 12.8647 13.1776 13.1776 13.2579 13.2579 13.4839 13.4839 13.9640 13.9640 14.1207 14.1207 14.1493 14.1493 14.1697 14.1697 14.4051 14.4051 15.1435 15.1435 15.5898 15.5898 15.5901 15.5901 15.6959 15.6959 k = 0.5000 0.5000 0.0357 ( 2616 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0539 -30.0539 -1.5633 -1.5633 7.0958 7.0958 7.1082 7.1082 8.7305 8.7305 11.2394 11.2394 11.3554 11.3554 11.7489 11.7489 11.8129 11.8129 12.2397 12.2397 12.2811 12.2811 12.2827 12.2827 12.8757 12.8757 13.1757 13.1757 13.2555 13.2555 13.4743 13.4743 13.9378 13.9378 14.1333 14.1333 14.1707 14.1707 14.1759 14.1759 14.4164 14.4164 15.1068 15.1068 15.5900 15.5900 15.6367 15.6367 15.6991 15.6991 k = 0.5000 0.5000 0.0476 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9615 -33.9615 -30.0586 -30.0586 -30.0540 -30.0540 -1.5588 -1.5588 7.0920 7.0920 7.1044 7.1044 8.7070 8.7070 11.2421 11.2421 11.3573 11.3573 11.7365 11.7365 11.7999 11.7999 12.2492 12.2492 12.2889 12.2889 12.3058 12.3058 12.8906 12.8906 13.1732 13.1732 13.2524 13.2524 13.4613 13.4613 13.9094 13.9094 14.1453 14.1453 14.1845 14.1845 14.1978 14.1978 14.4318 14.4318 15.0657 15.0657 15.5898 15.5898 15.6768 15.6768 15.7186 15.7186 k = 0.5000 0.5000 0.0595 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9616 -33.9616 -30.0586 -30.0586 -30.0540 -30.0540 -1.5529 -1.5529 7.0872 7.0872 7.0995 7.0995 8.6772 8.6772 11.2455 11.2455 11.3596 11.3596 11.7218 11.7218 11.7846 11.7846 12.2506 12.2506 12.3092 12.3092 12.3341 12.3341 12.9092 12.9092 13.1702 13.1702 13.2485 13.2485 13.4453 13.4453 13.8801 13.8801 14.1586 14.1586 14.1953 14.1953 14.2273 14.2273 14.4508 14.4508 15.0236 15.0236 15.5896 15.5896 15.6866 15.6866 15.7743 15.7743 k = 0.5000 0.5000 0.0714 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9616 -33.9616 -30.0586 -30.0586 -30.0541 -30.0541 -1.5458 -1.5458 7.0814 7.0814 7.0936 7.0936 8.6415 8.6415 11.2493 11.2493 11.3621 11.3621 11.7053 11.7053 11.7676 11.7676 12.2475 12.2475 12.3383 12.3383 12.3668 12.3668 12.9310 12.9310 13.1667 13.1667 13.2441 13.2441 13.4265 13.4265 13.8504 13.8504 14.1737 14.1737 14.2082 14.2082 14.2578 14.2578 14.4730 14.4730 14.9823 14.9823 15.5892 15.5892 15.6885 15.6885 15.8418 15.8418 k = 0.5000 0.5000 0.0833 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9616 -33.9616 -30.0585 -30.0585 -30.0541 -30.0541 -1.5375 -1.5375 7.0746 7.0746 7.0867 7.0867 8.6002 8.6002 11.2535 11.2535 11.3646 11.3646 11.6877 11.6877 11.7495 11.7495 12.2432 12.2432 12.3730 12.3730 12.4035 12.4035 12.9557 12.9557 13.1630 13.1630 13.2394 13.2394 13.4056 13.4056 13.8207 13.8207 14.1907 14.1907 14.2231 14.2231 14.2888 14.2888 14.4979 14.4979 14.9429 14.9429 15.5888 15.5888 15.6890 15.6890 15.9134 15.9134 k = 0.5000 0.5000 0.0952 ( 2612 PWs) bands (ev): -63.3729 -63.3729 -33.9616 -33.9616 -30.0585 -30.0585 -30.0542 -30.0542 -1.5280 -1.5280 7.0669 7.0669 7.0789 7.0789 8.5537 8.5537 11.2579 11.2579 11.3669 11.3669 11.6691 11.6691 11.7306 11.7306 12.2389 12.2389 12.4118 12.4118 12.4436 12.4436 12.9830 12.9830 13.1591 13.1591 13.2345 13.2345 13.3828 13.3828 13.7911 13.7911 14.2095 14.2095 14.2397 14.2397 14.3200 14.3200 14.5250 14.5250 14.9061 14.9061 15.5882 15.5882 15.6890 15.6890 15.9872 15.9872 k = 0.5000 0.5000 0.1071 ( 2604 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0585 -30.0585 -30.0542 -30.0542 -1.5174 -1.5174 7.0584 7.0584 7.0703 7.0703 8.5025 8.5025 11.2622 11.2622 11.3690 11.3690 11.6500 11.6500 11.7113 11.7113 12.2356 12.2356 12.4542 12.4542 12.4870 12.4870 13.0124 13.0124 13.1551 13.1551 13.2296 13.2296 13.3586 13.3586 13.7618 13.7618 14.2299 14.2299 14.2580 14.2580 14.3513 14.3513 14.5541 14.5541 14.8722 14.8722 15.5875 15.5875 15.6886 15.6886 16.0623 16.0623 k = 0.5000 0.5000 0.1190 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0584 -30.0584 -30.0543 -30.0543 -1.5056 -1.5056 7.0491 7.0491 7.0608 7.0608 8.4469 8.4469 11.2664 11.2664 11.3706 11.3706 11.6305 11.6305 11.6917 11.6917 12.2337 12.2337 12.4998 12.4998 12.5334 12.5334 13.0438 13.0438 13.1512 13.1512 13.2250 13.2250 13.3334 13.3334 13.7329 13.7329 14.2517 14.2517 14.2777 14.2777 14.3823 14.3823 14.5846 14.5846 14.8416 14.8416 15.5867 15.5867 15.6880 15.6880 16.1380 16.1380 k = 0.5000 0.5000 0.1310 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9616 -33.9616 -30.0584 -30.0584 -30.0544 -30.0544 -1.4928 -1.4928 7.0390 7.0390 7.0506 7.0506 8.3875 8.3875 11.2701 11.2701 11.3717 11.3717 11.6108 11.6108 11.6719 11.6719 12.2335 12.2335 12.5483 12.5483 12.5824 12.5824 13.0767 13.0767 13.1476 13.1476 13.2210 13.2210 13.3073 13.3073 13.7044 13.7044 14.2745 14.2745 14.2986 14.2986 14.4132 14.4132 14.6163 14.6163 14.8142 14.8142 15.5856 15.5856 15.6871 15.6871 16.2138 16.2138 k = 0.5000 0.5000 0.1429 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0584 -30.0584 -30.0545 -30.0545 -1.4790 -1.4790 7.0284 7.0284 7.0398 7.0398 8.3247 8.3247 11.2733 11.2733 11.3720 11.3720 11.5909 11.5909 11.6521 11.6521 12.2355 12.2355 12.5995 12.5995 12.6341 12.6341 13.1105 13.1105 13.1441 13.1441 13.2180 13.2180 13.2809 13.2809 13.6764 13.6764 14.2984 14.2984 14.3204 14.3204 14.4437 14.4437 14.6486 14.6486 14.7903 14.7903 15.5842 15.5842 15.6859 15.6859 16.2894 16.2894 k = 0.5000 0.5000 0.1548 ( 2588 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0583 -30.0583 -30.0546 -30.0546 -1.4642 -1.4642 7.0171 7.0171 7.0284 7.0284 8.2590 8.2590 11.2757 11.2757 11.3716 11.3716 11.5711 11.5711 11.6324 11.6324 12.2399 12.2399 12.6534 12.6534 12.6882 12.6882 13.1410 13.1410 13.1439 13.1439 13.2175 13.2175 13.2543 13.2543 13.6491 13.6491 14.3230 14.3230 14.3431 14.3431 14.4739 14.4739 14.6809 14.6809 14.7704 14.7704 15.5825 15.5825 15.6844 15.6844 16.3644 16.3644 k = 0.5000 0.5000 0.1667 ( 2588 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0583 -30.0583 -30.0547 -30.0547 -1.4486 -1.4486 7.0054 7.0054 7.0164 7.0164 8.1908 8.1908 11.2772 11.2772 11.3704 11.3704 11.5513 11.5513 11.6128 11.6128 12.2467 12.2467 12.7097 12.7097 12.7445 12.7445 13.1382 13.1382 13.1721 13.1721 13.2241 13.2241 13.2279 13.2279 13.6224 13.6224 14.3482 14.3482 14.3663 14.3663 14.5037 14.5037 14.7108 14.7108 14.7564 14.7564 15.5805 15.5805 15.6825 15.6825 16.4383 16.4383 k = 0.5000 0.5000 0.1786 ( 2588 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0582 -30.0582 -30.0548 -30.0548 -1.4321 -1.4321 6.9932 6.9932 7.0041 7.0041 8.1205 8.1205 11.2778 11.2778 11.3684 11.3684 11.5317 11.5317 11.5934 11.5934 12.2561 12.2561 12.7683 12.7683 12.8027 12.8027 13.1355 13.1355 13.1863 13.1863 13.2023 13.2023 13.2467 13.2467 13.5964 13.5964 14.3737 14.3737 14.3900 14.3900 14.5329 14.5329 14.7240 14.7240 14.7625 14.7625 15.5780 15.5780 15.6801 15.6801 16.5110 16.5110 k = 0.5000 0.5000 0.1905 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9617 -33.9617 -30.0582 -30.0582 -30.0550 -30.0550 -1.4149 -1.4149 6.9806 6.9806 6.9914 6.9914 8.0487 8.0487 11.2773 11.2773 11.3654 11.3654 11.5122 11.5122 11.5742 11.5742 12.2681 12.2681 12.8291 12.8291 12.8625 12.8625 13.1321 13.1321 13.1787 13.1787 13.1898 13.1898 13.2818 13.2818 13.5713 13.5713 14.3995 14.3995 14.4139 14.4139 14.5616 14.5616 14.7176 14.7176 14.7909 14.7909 15.5751 15.5751 15.6772 15.6772 16.5821 16.5821 k = 0.5000 0.5000 0.2024 ( 2604 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0582 -30.0582 -30.0551 -30.0551 -1.3971 -1.3971 6.9678 6.9678 6.9784 6.9784 7.9757 7.9757 11.2757 11.2757 11.3617 11.3617 11.4929 11.4929 11.5552 11.5552 12.2828 12.2828 12.8920 12.8920 12.9231 12.9231 13.1258 13.1258 13.1603 13.1603 13.1902 13.1902 13.3219 13.3219 13.5472 13.5472 14.4252 14.4252 14.4380 14.4380 14.5896 14.5896 14.7097 14.7097 14.8235 14.8235 15.5715 15.5715 15.6736 15.6736 16.6514 16.6514 k = 0.5000 0.5000 0.2143 ( 2604 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0581 -30.0581 -30.0552 -30.0552 -1.3786 -1.3786 6.9548 6.9548 6.9652 6.9652 7.9020 7.9020 11.2731 11.2731 11.3571 11.3571 11.4740 11.4740 11.5366 11.5366 12.2999 12.2999 12.9570 12.9570 12.9822 12.9822 13.1134 13.1134 13.1527 13.1527 13.1900 13.1900 13.3640 13.3640 13.5245 13.5245 14.4510 14.4510 14.4620 14.4620 14.6170 14.6170 14.7035 14.7035 14.8568 14.8568 15.5673 15.5673 15.6694 15.6694 16.6333 16.6333 k = 0.5000 0.5000 0.2262 ( 2616 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0581 -30.0581 -30.0554 -30.0554 -1.3597 -1.3597 6.9417 6.9417 6.9519 6.9519 7.8279 7.8279 11.2694 11.2694 11.3518 11.3518 11.4553 11.4553 11.5184 11.5184 12.3192 12.3192 13.0237 13.0237 13.0301 13.0301 13.1037 13.1037 13.1566 13.1566 13.1899 13.1899 13.4062 13.4062 13.5047 13.5047 14.4764 14.4764 14.4858 14.4858 14.6437 14.6437 14.6992 14.6992 14.8899 14.8899 15.5624 15.5624 15.6643 15.6643 16.6009 16.6009 k = 0.5000 0.5000 0.2381 ( 2600 PWs) bands (ev): -63.3728 -63.3728 -33.9618 -33.9618 -30.0580 -30.0580 -30.0555 -30.0555 -1.3404 -1.3404 6.9286 6.9286 6.9386 6.9386 7.7538 7.7538 11.2648 11.2648 11.3458 11.3458 11.4372 11.4372 11.5007 11.5007 12.3407 12.3407 13.0409 13.0409 13.0920 13.0920 13.1147 13.1147 13.1802 13.1802 13.1905 13.1905 13.4401 13.4401 13.4958 13.4958 14.5016 14.5016 14.5094 14.5094 14.6697 14.6697 14.6971 14.6971 14.9228 14.9228 15.5566 15.5566 15.6582 15.6582 16.5659 16.5659 k = 0.5000 0.5000 0.2500 ( 2592 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0580 -30.0580 -30.0556 -30.0556 -1.3209 -1.3209 6.9155 6.9155 6.9253 6.9253 7.6802 7.6802 11.2594 11.2594 11.3392 11.3392 11.4194 11.4194 11.4834 11.4834 12.3640 12.3640 13.0257 13.0257 13.1263 13.1263 13.1591 13.1591 13.1943 13.1943 13.2320 13.2320 13.4419 13.4419 13.5218 13.5218 14.5263 14.5263 14.5326 14.5326 14.6949 14.6949 14.6966 14.6966 14.9550 14.9550 15.5498 15.5498 15.6511 15.6511 16.5281 16.5281 k = 0.5000 0.5000 0.2619 ( 2592 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0579 -30.0579 -30.0557 -30.0557 -1.3011 -1.3011 6.9025 6.9025 6.9121 6.9121 7.6074 7.6074 11.2532 11.2532 11.3321 11.3321 11.4021 11.4021 11.4666 11.4666 12.3888 12.3888 13.0053 13.0053 13.1319 13.1319 13.1867 13.1867 13.2396 13.2396 13.2980 13.2980 13.4265 13.4265 13.5677 13.5677 14.5504 14.5504 14.5552 14.5552 14.6979 14.6979 14.7192 14.7192 14.9864 14.9864 15.5418 15.5418 15.6427 15.6427 16.4875 16.4875 k = 0.5000 0.5000 0.2738 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9619 -33.9619 -30.0579 -30.0579 -30.0559 -30.0559 -1.2813 -1.2813 6.8896 6.8896 6.8991 6.8991 7.5357 7.5357 11.2465 11.2465 11.3244 11.3244 11.3853 11.3853 11.4503 11.4503 12.4149 12.4149 12.9840 12.9840 13.1357 13.1357 13.1895 13.1895 13.3115 13.3115 13.3697 13.3697 13.4087 13.4087 13.6188 13.6188 14.5737 14.5737 14.5771 14.5771 14.7006 14.7006 14.7426 14.7426 15.0170 15.0170 15.5325 15.5325 15.6330 15.6330 16.4439 16.4439 k = 0.5000 0.5000 0.2857 ( 2596 PWs) bands (ev): -63.3728 -63.3728 -33.9620 -33.9620 -30.0578 -30.0578 -30.0560 -30.0560 -1.2615 -1.2615 6.8770 6.8770 6.8863 6.8863 7.4655 7.4655 11.2393 11.2393 11.3165 11.3165 11.3690 11.3690 11.4346 11.4346 12.4417 12.4417 12.9629 12.9629 13.1391 13.1391 13.1912 13.1912 13.3859 13.3859 13.3913 13.3913 13.4443 13.4443 13.6728 13.6728 14.5964 14.5964 14.5984 14.5984 14.7045 14.7045 14.7651 14.7651 15.0467 15.0467 15.5218 15.5218 15.6216 15.6216 16.3974 16.3974 k = 0.5000 0.5000 0.2976 ( 2588 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0578 -30.0578 -30.0561 -30.0561 -1.2418 -1.2418 6.8648 6.8648 6.8738 6.8738 7.3971 7.3971 11.2317 11.2317 11.3083 11.3083 11.3534 11.3534 11.4196 11.4196 12.4690 12.4690 12.9424 12.9424 13.1424 13.1424 13.1929 13.1929 13.3739 13.3739 13.4624 13.4624 13.5212 13.5212 13.7292 13.7292 14.6183 14.6183 14.6190 14.6190 14.7095 14.7095 14.7867 14.7867 15.0753 15.0753 15.5095 15.5095 15.6084 15.6084 16.3478 16.3478 k = 0.5000 0.5000 0.3095 ( 2592 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0577 -30.0577 -30.0562 -30.0562 -1.2225 -1.2225 6.8528 6.8528 6.8618 6.8618 7.3307 7.3307 11.2240 11.2240 11.3000 11.3000 11.3384 11.3384 11.4052 11.4052 12.4965 12.4965 12.9227 12.9227 13.1458 13.1458 13.1945 13.1945 13.3578 13.3578 13.5398 13.5398 13.5996 13.5996 13.7879 13.7879 14.6387 14.6387 14.6391 14.6391 14.7152 14.7152 14.8072 14.8072 15.1028 15.1028 15.4953 15.4953 15.5933 15.5933 16.2952 16.2952 k = 0.5000 0.5000 0.3214 ( 2592 PWs) bands (ev): -63.3727 -63.3727 -33.9620 -33.9620 -30.0577 -30.0577 -30.0564 -30.0564 -1.2035 -1.2035 6.8414 6.8414 6.8501 6.8501 7.2668 7.2668 11.2161 11.2161 11.2916 11.2916 11.3241 11.3241 11.3915 11.3915 12.5238 12.5238 12.9039 12.9039 13.1492 13.1492 13.1962 13.1962 13.3428 13.3428 13.6182 13.6182 13.6795 13.6795 13.8488 13.8488 14.6574 14.6574 14.6590 14.6590 14.7217 14.7217 14.8266 14.8266 15.1289 15.1289 15.4790 15.4790 15.5759 15.5759 16.2396 16.2396 k = 0.5000 0.5000 0.3333 ( 2608 PWs) bands (ev): -63.3728 -63.3728 -33.9621 -33.9621 -30.0577 -30.0577 -30.0565 -30.0565 -1.1850 -1.1850 6.8303 6.8303 6.8389 6.8389 7.2055 7.2055 11.2082 11.2082 11.2831 11.2831 11.3105 11.3105 11.3786 11.3786 12.5505 12.5505 12.8860 12.8860 13.1527 13.1527 13.1977 13.1977 13.3289 13.3289 13.6973 13.6973 13.7606 13.7606 13.9119 13.9119 14.6751 14.6751 14.6778 14.6778 14.7285 14.7285 14.8449 14.8449 15.1537 15.1537 15.4604 15.4604 15.5560 15.5560 16.1812 16.1812 k = 0.5000 0.5000 0.3452 ( 2600 PWs) bands (ev): -63.3728 -63.3728 -33.9621 -33.9621 -30.0576 -30.0576 -30.0566 -30.0566 -1.1671 -1.1671 6.8199 6.8199 6.8283 6.8283 7.1473 7.1473 11.2005 11.2005 11.2749 11.2749 11.2977 11.2977 11.3665 11.3665 12.5766 12.5766 12.8693 12.8693 13.1563 13.1563 13.1990 13.1990 13.3163 13.3163 13.7771 13.7771 13.8426 13.8426 13.9772 13.9772 14.6919 14.6919 14.6955 14.6955 14.7357 14.7357 14.8622 14.8622 15.1772 15.1772 15.4394 15.4394 15.5334 15.5334 16.1199 16.1199 k = 0.5000 0.5000 0.3571 ( 2608 PWs) bands (ev): -63.3728 -63.3728 -33.9621 -33.9621 -30.0576 -30.0576 -30.0567 -30.0567 -1.1500 -1.1500 6.8100 6.8100 6.8183 6.8183 7.0922 7.0922 11.1930 11.1930 11.2669 11.2669 11.2857 11.2857 11.3551 11.3551 12.6016 12.6016 12.8536 12.8536 13.1599 13.1599 13.2000 13.2000 13.3051 13.3051 13.8572 13.8572 13.9253 13.9253 14.0445 14.0445 14.7075 14.7075 14.7120 14.7120 14.7431 14.7431 14.8782 14.8782 15.1991 15.1991 15.4157 15.4157 15.5079 15.5079 16.0560 16.0560 k = 0.5000 0.5000 0.3690 ( 2592 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0575 -30.0575 -30.0568 -30.0568 -1.1338 -1.1338 6.8007 6.8007 6.8089 6.8089 7.0406 7.0406 11.1858 11.1858 11.2592 11.2592 11.2746 11.2746 11.3446 11.3446 12.6255 12.6255 12.8391 12.8391 13.1634 13.1634 13.2005 13.2005 13.2954 13.2954 13.9375 13.9375 14.0085 14.0085 14.1139 14.1139 14.7221 14.7221 14.7274 14.7274 14.7504 14.7504 14.8932 14.8932 15.2195 15.2195 15.3890 15.3890 15.4793 15.4793 15.9898 15.9898 k = 0.5000 0.5000 0.3810 ( 2584 PWs) bands (ev): -63.3727 -63.3727 -33.9621 -33.9621 -30.0575 -30.0575 -30.0569 -30.0569 -1.1185 -1.1185 6.7921 6.7921 6.8002 6.8002 6.9927 6.9927 11.1790 11.1790 11.2520 11.2520 11.2643 11.2643 11.3350 11.3350 12.6478 12.6478 12.8258 12.8258 13.1668 13.1668 13.2004 13.2004 13.2872 13.2872 14.0178 14.0178 14.0921 14.0921 14.1851 14.1851 14.7355 14.7355 14.7415 14.7415 14.7576 14.7576 14.9068 14.9068 15.2382 15.2382 15.3592 15.3592 15.4474 15.4474 15.9214 15.9214 k = 0.5000 0.5000 0.3929 ( 2584 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0575 -30.0575 -30.0570 -30.0570 -1.1043 -1.1043 6.7842 6.7842 6.7921 6.7921 6.9486 6.9486 11.1727 11.1727 11.2452 11.2452 11.2549 11.2549 11.3261 11.3261 12.6685 12.6685 12.8136 12.8136 13.1700 13.1700 13.1997 13.1997 13.2805 13.2805 14.0978 14.0978 14.1757 14.1757 14.2577 14.2577 14.7476 14.7476 14.7543 14.7543 14.7644 14.7644 14.9192 14.9192 15.2550 15.2550 15.3261 15.3261 15.4121 15.4121 15.8512 15.8512 k = 0.5000 0.5000 0.4048 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0575 -30.0575 -30.0570 -30.0570 -1.0913 -1.0913 6.7771 6.7771 6.7848 6.7848 6.9087 6.9087 11.1668 11.1668 11.2389 11.2389 11.2464 11.2464 11.3182 11.3182 12.6875 12.6875 12.8027 12.8027 13.1730 13.1730 13.1984 13.1984 13.2754 13.2754 14.1771 14.1771 14.2591 14.2591 14.3315 14.3315 14.7585 14.7585 14.7657 14.7657 14.7709 14.7709 14.9304 14.9304 15.2695 15.2695 15.2897 15.2897 15.3737 15.3737 15.7798 15.7798 k = 0.5000 0.5000 0.4167 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0571 -30.0571 -1.0796 -1.0796 6.7707 6.7707 6.7783 6.7783 6.8731 6.8731 11.1615 11.1615 11.2332 11.2332 11.2388 11.2388 11.3112 11.3112 12.7044 12.7044 12.7930 12.7930 13.1758 13.1758 13.1966 13.1966 13.2716 13.2716 14.2554 14.2554 14.3420 14.3420 14.4060 14.4060 14.7682 14.7682 14.7757 14.7757 14.7768 14.7768 14.9401 14.9401 15.2500 15.2500 15.2797 15.2797 15.3342 15.3342 15.7076 15.7076 k = 0.5000 0.5000 0.4286 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0572 -30.0572 -1.0692 -1.0692 6.7651 6.7651 6.7725 6.7725 6.8419 6.8419 11.1569 11.1569 11.2282 11.2282 11.2322 11.2322 11.3050 11.3050 12.7192 12.7192 12.7846 12.7846 13.1783 13.1783 13.1944 13.1944 13.2689 13.2689 14.3323 14.3323 14.4240 14.4240 14.4804 14.4804 14.7766 14.7766 14.7822 14.7822 14.7842 14.7842 14.9485 14.9485 15.2070 15.2070 15.2689 15.2689 15.3101 15.3101 15.6355 15.6355 k = 0.5000 0.5000 0.4405 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0572 -30.0572 -1.0603 -1.0603 6.7604 6.7604 6.7675 6.7675 6.8154 6.8154 11.1529 11.1529 11.2238 11.2238 11.2266 11.2266 11.2998 11.2998 12.7319 12.7319 12.7774 12.7774 13.1805 13.1805 13.1922 13.1922 13.2672 13.2672 14.4069 14.4069 14.5046 14.5046 14.5539 14.5539 14.7837 14.7837 14.7870 14.7870 14.7912 14.7912 14.9554 14.9554 15.1613 15.1613 15.2254 15.2254 15.3133 15.3133 15.5647 15.5647 k = 0.5000 0.5000 0.4524 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0573 -30.0573 -1.0529 -1.0529 6.7564 6.7564 6.7632 6.7632 6.7938 6.7938 11.1496 11.1496 11.2202 11.2202 11.2220 11.2220 11.2955 11.2955 12.7423 12.7423 12.7715 12.7715 13.1823 13.1823 13.1900 13.1900 13.2661 13.2661 14.4781 14.4781 14.5833 14.5833 14.6251 14.6251 14.7892 14.7892 14.7912 14.7912 14.7965 14.7965 14.9606 14.9606 15.1136 15.1136 15.1731 15.1731 15.3202 15.3202 15.4969 15.4969 k = 0.5000 0.5000 0.4643 ( 2576 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0573 -30.0573 -1.0471 -1.0471 6.7534 6.7534 6.7592 6.7592 6.7774 6.7774 11.1469 11.1469 11.2174 11.2174 11.2184 11.2184 11.2922 11.2922 12.7505 12.7505 12.7670 12.7670 13.1837 13.1837 13.1882 13.1882 13.2655 13.2655 14.5441 14.5441 14.6590 14.6590 14.6921 14.6921 14.7931 14.7931 14.7952 14.7952 14.7998 14.7998 14.9638 14.9638 15.0655 15.0655 15.1175 15.1175 15.3261 15.3261 15.4350 15.4350 k = 0.5000 0.5000 0.4762 ( 2580 PWs) bands (ev): -63.3727 -63.3727 -33.9622 -33.9622 -30.0574 -30.0574 -30.0573 -30.0573 -1.0429 -1.0429 6.7512 6.7512 6.7551 6.7551 6.7669 6.7669 11.1451 11.1451 11.2153 11.2153 11.2158 11.2158 11.2898 11.2898 12.7564 12.7564 12.7637 12.7637 13.1848 13.1848 13.1868 13.1868 13.2651 13.2651 14.6012 14.6012 14.7294 14.7294 14.7517 14.7517 14.7955 14.7955 14.7987 14.7987 14.8011 14.8011 14.9633 14.9633 15.0210 15.0210 15.0611 15.0611 15.3306 15.3306 15.3830 15.3830 k = 0.5000 0.5000 0.4881 ( 2604 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0404 -1.0404 6.7498 6.7498 6.7511 6.7511 6.7621 6.7621 11.1439 11.1439 11.2140 11.2140 11.2141 11.2141 11.2882 11.2882 12.7598 12.7598 12.7616 12.7616 13.1854 13.1854 13.1859 13.1859 13.2649 13.2649 14.6429 14.6429 14.7854 14.7854 14.7945 14.7945 14.7969 14.7969 14.8041 14.8041 14.8044 14.8044 14.9531 14.9531 14.9917 14.9917 15.0100 15.0100 15.3333 15.3333 15.3472 15.3472 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -63.3727 -63.3727 -33.9623 -33.9623 -30.0574 -30.0574 -30.0574 -30.0574 -1.0396 -1.0396 6.7494 6.7494 6.7494 6.7494 6.7609 6.7609 11.1435 11.1435 11.2136 11.2136 11.2136 11.2136 11.2877 11.2877 12.7609 12.7609 12.7609 12.7609 13.1856 13.1856 13.1856 13.1856 13.2648 13.2648 14.6589 14.6589 14.7970 14.7970 14.7974 14.7974 14.7974 14.7974 14.8211 14.8211 14.8211 14.8211 14.9415 14.9415 14.9850 14.9850 14.9850 14.9850 15.3342 15.3342 15.3342 15.3342 Writing output data file Fe3RhN.save init_run : 0.24s CPU 0.39s WALL ( 1 calls) electrons : 97.45s CPU 99.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 97.45s CPU 99.62s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 322 calls) cegterg : 87.11s CPU 88.66s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 44.28s CPU 45.70s WALL ( 4612 calls) s_psi : 4.58s CPU 4.66s WALL ( 4612 calls) g_psi : 0.16s CPU 0.15s WALL ( 3967 calls) cdiaghg : 36.34s CPU 36.79s WALL ( 4289 calls) cegterg:over : 4.00s CPU 3.98s WALL ( 3967 calls) cegterg:upda : 2.67s CPU 2.64s WALL ( 3967 calls) cegterg:last : 1.82s CPU 1.86s WALL ( 976 calls) cdiaghg:chol : 2.14s CPU 2.06s WALL ( 4289 calls) cdiaghg:inve : 1.36s CPU 1.42s WALL ( 4289 calls) cdiaghg:para : 2.19s CPU 2.32s WALL ( 8578 calls) Called by h_psi: h_psi:vloc : 34.34s CPU 35.59s WALL ( 4612 calls) h_psi:vnl : 9.79s CPU 9.97s WALL ( 4612 calls) add_vuspsi : 5.47s CPU 5.52s WALL ( 4612 calls) General routines calbec : 4.30s CPU 4.44s WALL ( 4612 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 31.96s CPU 32.99s WALL ( 748972 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 644 calls) Parallel routines fft_scatter : 16.33s CPU 16.74s WALL ( 748995 calls) PWSCF : 1m51.50s CPU 2m 3.73s WALL This run was terminated on: 18:15:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=