Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:52:50 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: ./SrGeO3.save/ 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 36 21 6 1008 445 76 Max 37 22 7 1013 454 79 Sum 1321 777 241 36377 16135 2777 bravais-lattice index = 14 lattice parameter (alat) = 7.1768 a.u. unit-cell volume = 369.6518 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.176801 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 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: 36377 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16135 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 122, 40) NL pseudopotentials 0.08 Mb ( 61, 90) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1011) G-vector shells 0.00 Mb ( 264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 122, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 90, 2, 40) The potential is recalculated from file : ./SrGeO3.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.6 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.1 secs Computing kpt #: 21 total cpu time spent up to now is 6.3 secs Computing kpt #: 22 total cpu time spent up to now is 6.5 secs Computing kpt #: 23 total cpu time spent up to now is 6.7 secs Computing kpt #: 24 total cpu time spent up to now is 7.0 secs Computing kpt #: 25 total cpu time spent up to now is 7.2 secs Computing kpt #: 26 total cpu time spent up to now is 7.4 secs Computing kpt #: 27 total cpu time spent up to now is 7.6 secs Computing kpt #: 28 total cpu time spent up to now is 7.8 secs Computing kpt #: 29 total cpu time spent up to now is 8.0 secs Computing kpt #: 30 total cpu time spent up to now is 8.2 secs Computing kpt #: 31 total cpu time spent up to now is 8.5 secs Computing kpt #: 32 total cpu time spent up to now is 8.7 secs Computing kpt #: 33 total cpu time spent up to now is 8.9 secs Computing kpt #: 34 total cpu time spent up to now is 9.1 secs Computing kpt #: 35 total cpu time spent up to now is 9.3 secs Computing kpt #: 36 total cpu time spent up to now is 9.6 secs Computing kpt #: 37 total cpu time spent up to now is 9.8 secs Computing kpt #: 38 total cpu time spent up to now is 10.0 secs Computing kpt #: 39 total cpu time spent up to now is 10.3 secs Computing kpt #: 40 total cpu time spent up to now is 10.5 secs Computing kpt #: 41 total cpu time spent up to now is 10.7 secs Computing kpt #: 42 total cpu time spent up to now is 10.9 secs Computing kpt #: 43 total cpu time spent up to now is 11.1 secs Computing kpt #: 44 total cpu time spent up to now is 11.3 secs Computing kpt #: 45 total cpu time spent up to now is 11.6 secs Computing kpt #: 46 total cpu time spent up to now is 11.8 secs Computing kpt #: 47 total cpu time spent up to now is 12.0 secs Computing kpt #: 48 total cpu time spent up to now is 12.2 secs Computing kpt #: 49 total cpu time spent up to now is 12.5 secs Computing kpt #: 50 total cpu time spent up to now is 12.7 secs Computing kpt #: 51 total cpu time spent up to now is 12.9 secs Computing kpt #: 52 total cpu time spent up to now is 13.1 secs Computing kpt #: 53 total cpu time spent up to now is 13.3 secs Computing kpt #: 54 total cpu time spent up to now is 13.6 secs Computing kpt #: 55 total cpu time spent up to now is 13.8 secs Computing kpt #: 56 total cpu time spent up to now is 14.0 secs Computing kpt #: 57 total cpu time spent up to now is 14.2 secs Computing kpt #: 58 total cpu time spent up to now is 14.5 secs Computing kpt #: 59 total cpu time spent up to now is 14.7 secs Computing kpt #: 60 total cpu time spent up to now is 15.0 secs Computing kpt #: 61 total cpu time spent up to now is 15.2 secs Computing kpt #: 62 total cpu time spent up to now is 15.5 secs Computing kpt #: 63 total cpu time spent up to now is 15.8 secs Computing kpt #: 64 total cpu time spent up to now is 16.0 secs Computing kpt #: 65 total cpu time spent up to now is 16.2 secs Computing kpt #: 66 total cpu time spent up to now is 16.4 secs Computing kpt #: 67 total cpu time spent up to now is 16.7 secs Computing kpt #: 68 total cpu time spent up to now is 16.9 secs Computing kpt #: 69 total cpu time spent up to now is 17.1 secs Computing kpt #: 70 total cpu time spent up to now is 17.3 secs Computing kpt #: 71 total cpu time spent up to now is 17.5 secs Computing kpt #: 72 total cpu time spent up to now is 17.7 secs Computing kpt #: 73 total cpu time spent up to now is 17.9 secs Computing kpt #: 74 total cpu time spent up to now is 18.1 secs Computing kpt #: 75 total cpu time spent up to now is 18.3 secs Computing kpt #: 76 total cpu time spent up to now is 18.5 secs Computing kpt #: 77 total cpu time spent up to now is 18.7 secs Computing kpt #: 78 total cpu time spent up to now is 18.9 secs Computing kpt #: 79 total cpu time spent up to now is 19.1 secs Computing kpt #: 80 total cpu time spent up to now is 19.4 secs Computing kpt #: 81 total cpu time spent up to now is 19.6 secs Computing kpt #: 82 total cpu time spent up to now is 19.8 secs Computing kpt #: 83 total cpu time spent up to now is 20.1 secs Computing kpt #: 84 total cpu time spent up to now is 20.3 secs Computing kpt #: 85 total cpu time spent up to now is 20.6 secs Computing kpt #: 86 total cpu time spent up to now is 20.9 secs Computing kpt #: 87 total cpu time spent up to now is 21.2 secs Computing kpt #: 88 total cpu time spent up to now is 21.4 secs Computing kpt #: 89 total cpu time spent up to now is 21.7 secs Computing kpt #: 90 total cpu time spent up to now is 21.9 secs Computing kpt #: 91 total cpu time spent up to now is 22.2 secs Computing kpt #: 92 total cpu time spent up to now is 22.4 secs Computing kpt #: 93 total cpu time spent up to now is 22.6 secs Computing kpt #: 94 total cpu time spent up to now is 22.8 secs Computing kpt #: 95 total cpu time spent up to now is 23.1 secs Computing kpt #: 96 total cpu time spent up to now is 23.2 secs Computing kpt #: 97 total cpu time spent up to now is 23.4 secs Computing kpt #: 98 total cpu time spent up to now is 23.6 secs Computing kpt #: 99 total cpu time spent up to now is 23.8 secs Computing kpt #: 100 total cpu time spent up to now is 24.0 secs Computing kpt #: 101 total cpu time spent up to now is 24.4 secs Computing kpt #: 102 total cpu time spent up to now is 24.7 secs Computing kpt #: 103 total cpu time spent up to now is 25.0 secs Computing kpt #: 104 total cpu time spent up to now is 25.2 secs Computing kpt #: 105 total cpu time spent up to now is 25.4 secs Computing kpt #: 106 total cpu time spent up to now is 25.6 secs Computing kpt #: 107 total cpu time spent up to now is 25.8 secs Computing kpt #: 108 total cpu time spent up to now is 26.0 secs Computing kpt #: 109 total cpu time spent up to now is 26.2 secs Computing kpt #: 110 total cpu time spent up to now is 26.4 secs Computing kpt #: 111 total cpu time spent up to now is 26.6 secs Computing kpt #: 112 total cpu time spent up to now is 26.8 secs Computing kpt #: 113 total cpu time spent up to now is 27.0 secs Computing kpt #: 114 total cpu time spent up to now is 27.2 secs Computing kpt #: 115 total cpu time spent up to now is 27.4 secs Computing kpt #: 116 total cpu time spent up to now is 27.6 secs Computing kpt #: 117 total cpu time spent up to now is 27.8 secs Computing kpt #: 118 total cpu time spent up to now is 28.0 secs Computing kpt #: 119 total cpu time spent up to now is 28.2 secs Computing kpt #: 120 total cpu time spent up to now is 28.4 secs Computing kpt #: 121 total cpu time spent up to now is 28.6 secs Computing kpt #: 122 total cpu time spent up to now is 28.8 secs Computing kpt #: 123 total cpu time spent up to now is 29.0 secs Computing kpt #: 124 total cpu time spent up to now is 29.3 secs Computing kpt #: 125 total cpu time spent up to now is 29.4 secs Computing kpt #: 126 total cpu time spent up to now is 29.7 secs Computing kpt #: 127 total cpu time spent up to now is 29.9 secs Computing kpt #: 128 total cpu time spent up to now is 30.1 secs Computing kpt #: 129 total cpu time spent up to now is 30.3 secs Computing kpt #: 130 total cpu time spent up to now is 30.5 secs Computing kpt #: 131 total cpu time spent up to now is 30.7 secs Computing kpt #: 132 total cpu time spent up to now is 30.9 secs Computing kpt #: 133 total cpu time spent up to now is 31.1 secs Computing kpt #: 134 total cpu time spent up to now is 31.3 secs Computing kpt #: 135 total cpu time spent up to now is 31.5 secs Computing kpt #: 136 total cpu time spent up to now is 31.7 secs Computing kpt #: 137 total cpu time spent up to now is 31.9 secs Computing kpt #: 138 total cpu time spent up to now is 32.1 secs Computing kpt #: 139 total cpu time spent up to now is 32.3 secs Computing kpt #: 140 total cpu time spent up to now is 32.5 secs Computing kpt #: 141 total cpu time spent up to now is 32.7 secs Computing kpt #: 142 total cpu time spent up to now is 32.9 secs Computing kpt #: 143 total cpu time spent up to now is 33.1 secs Computing kpt #: 144 total cpu time spent up to now is 33.3 secs Computing kpt #: 145 total cpu time spent up to now is 33.5 secs Computing kpt #: 146 total cpu time spent up to now is 33.7 secs Computing kpt #: 147 total cpu time spent up to now is 33.9 secs Computing kpt #: 148 total cpu time spent up to now is 34.1 secs Computing kpt #: 149 total cpu time spent up to now is 34.2 secs Computing kpt #: 150 total cpu time spent up to now is 34.5 secs Computing kpt #: 151 total cpu time spent up to now is 34.6 secs Computing kpt #: 152 total cpu time spent up to now is 34.8 secs Computing kpt #: 153 total cpu time spent up to now is 35.0 secs Computing kpt #: 154 total cpu time spent up to now is 35.3 secs Computing kpt #: 155 total cpu time spent up to now is 35.5 secs Computing kpt #: 156 total cpu time spent up to now is 35.7 secs Computing kpt #: 157 total cpu time spent up to now is 35.9 secs Computing kpt #: 158 total cpu time spent up to now is 36.1 secs Computing kpt #: 159 total cpu time spent up to now is 36.3 secs Computing kpt #: 160 total cpu time spent up to now is 36.5 secs Computing kpt #: 161 total cpu time spent up to now is 36.7 secs Computing kpt #: 162 total cpu time spent up to now is 36.9 secs Computing kpt #: 163 total cpu time spent up to now is 37.1 secs Computing kpt #: 164 total cpu time spent up to now is 37.3 secs Computing kpt #: 165 total cpu time spent up to now is 37.5 secs Computing kpt #: 166 total cpu time spent up to now is 37.7 secs Computing kpt #: 167 total cpu time spent up to now is 37.9 secs Computing kpt #: 168 total cpu time spent up to now is 38.1 secs Computing kpt #: 169 total cpu time spent up to now is 38.3 secs Computing kpt #: 170 total cpu time spent up to now is 38.6 secs Computing kpt #: 171 total cpu time spent up to now is 38.8 secs Computing kpt #: 172 total cpu time spent up to now is 39.0 secs Computing kpt #: 173 total cpu time spent up to now is 39.2 secs Computing kpt #: 174 total cpu time spent up to now is 39.4 secs Computing kpt #: 175 total cpu time spent up to now is 39.6 secs Computing kpt #: 176 total cpu time spent up to now is 39.8 secs Computing kpt #: 177 total cpu time spent up to now is 40.0 secs Computing kpt #: 178 total cpu time spent up to now is 40.2 secs Computing kpt #: 179 total cpu time spent up to now is 40.4 secs Computing kpt #: 180 total cpu time spent up to now is 40.6 secs Computing kpt #: 181 total cpu time spent up to now is 40.8 secs Computing kpt #: 182 total cpu time spent up to now is 41.0 secs Computing kpt #: 183 total cpu time spent up to now is 41.2 secs Computing kpt #: 184 total cpu time spent up to now is 41.4 secs Computing kpt #: 185 total cpu time spent up to now is 41.6 secs Computing kpt #: 186 total cpu time spent up to now is 41.8 secs Computing kpt #: 187 total cpu time spent up to now is 42.0 secs Computing kpt #: 188 total cpu time spent up to now is 42.2 secs Computing kpt #: 189 total cpu time spent up to now is 42.4 secs Computing kpt #: 190 total cpu time spent up to now is 42.6 secs Computing kpt #: 191 total cpu time spent up to now is 42.8 secs Computing kpt #: 192 total cpu time spent up to now is 43.0 secs Computing kpt #: 193 total cpu time spent up to now is 43.2 secs Computing kpt #: 194 total cpu time spent up to now is 43.4 secs Computing kpt #: 195 total cpu time spent up to now is 43.6 secs Computing kpt #: 196 total cpu time spent up to now is 43.8 secs Computing kpt #: 197 total cpu time spent up to now is 44.0 secs Computing kpt #: 198 total cpu time spent up to now is 44.1 secs Computing kpt #: 199 total cpu time spent up to now is 44.3 secs Computing kpt #: 200 total cpu time spent up to now is 44.5 secs Computing kpt #: 201 total cpu time spent up to now is 44.7 secs Computing kpt #: 202 total cpu time spent up to now is 44.9 secs Computing kpt #: 203 total cpu time spent up to now is 45.1 secs Computing kpt #: 204 total cpu time spent up to now is 45.3 secs Computing kpt #: 205 total cpu time spent up to now is 45.5 secs Computing kpt #: 206 total cpu time spent up to now is 45.7 secs Computing kpt #: 207 total cpu time spent up to now is 45.9 secs Computing kpt #: 208 total cpu time spent up to now is 46.1 secs Computing kpt #: 209 total cpu time spent up to now is 46.2 secs Computing kpt #: 210 total cpu time spent up to now is 46.4 secs Computing kpt #: 211 total cpu time spent up to now is 46.7 secs Computing kpt #: 212 total cpu time spent up to now is 46.9 secs Computing kpt #: 213 total cpu time spent up to now is 47.1 secs Computing kpt #: 214 total cpu time spent up to now is 47.3 secs Computing kpt #: 215 total cpu time spent up to now is 47.5 secs Computing kpt #: 216 total cpu time spent up to now is 47.7 secs Computing kpt #: 217 total cpu time spent up to now is 48.0 secs Computing kpt #: 218 total cpu time spent up to now is 48.2 secs Computing kpt #: 219 total cpu time spent up to now is 48.4 secs Computing kpt #: 220 total cpu time spent up to now is 48.6 secs Computing kpt #: 221 total cpu time spent up to now is 48.8 secs Computing kpt #: 222 total cpu time spent up to now is 49.0 secs Computing kpt #: 223 total cpu time spent up to now is 49.2 secs Computing kpt #: 224 total cpu time spent up to now is 49.5 secs Computing kpt #: 225 total cpu time spent up to now is 49.7 secs Computing kpt #: 226 total cpu time spent up to now is 49.9 secs Computing kpt #: 227 total cpu time spent up to now is 50.1 secs Computing kpt #: 228 total cpu time spent up to now is 50.3 secs Computing kpt #: 229 total cpu time spent up to now is 50.5 secs Computing kpt #: 230 total cpu time spent up to now is 50.7 secs Computing kpt #: 231 total cpu time spent up to now is 50.9 secs Computing kpt #: 232 total cpu time spent up to now is 51.1 secs Computing kpt #: 233 total cpu time spent up to now is 51.3 secs Computing kpt #: 234 total cpu time spent up to now is 51.5 secs Computing kpt #: 235 total cpu time spent up to now is 51.7 secs Computing kpt #: 236 total cpu time spent up to now is 51.9 secs Computing kpt #: 237 total cpu time spent up to now is 52.1 secs Computing kpt #: 238 total cpu time spent up to now is 52.3 secs Computing kpt #: 239 total cpu time spent up to now is 52.5 secs Computing kpt #: 240 total cpu time spent up to now is 52.7 secs Computing kpt #: 241 total cpu time spent up to now is 52.9 secs Computing kpt #: 242 total cpu time spent up to now is 53.1 secs Computing kpt #: 243 total cpu time spent up to now is 53.3 secs Computing kpt #: 244 total cpu time spent up to now is 53.5 secs Computing kpt #: 245 total cpu time spent up to now is 53.7 secs Computing kpt #: 246 total cpu time spent up to now is 53.9 secs Computing kpt #: 247 total cpu time spent up to now is 54.1 secs Computing kpt #: 248 total cpu time spent up to now is 54.3 secs Computing kpt #: 249 total cpu time spent up to now is 54.5 secs Computing kpt #: 250 total cpu time spent up to now is 54.7 secs Computing kpt #: 251 total cpu time spent up to now is 54.9 secs Computing kpt #: 252 total cpu time spent up to now is 55.1 secs Computing kpt #: 253 total cpu time spent up to now is 55.3 secs Computing kpt #: 254 total cpu time spent up to now is 55.5 secs Computing kpt #: 255 total cpu time spent up to now is 55.7 secs Computing kpt #: 256 total cpu time spent up to now is 55.9 secs Computing kpt #: 257 total cpu time spent up to now is 56.1 secs Computing kpt #: 258 total cpu time spent up to now is 56.3 secs Computing kpt #: 259 total cpu time spent up to now is 56.5 secs Computing kpt #: 260 total cpu time spent up to now is 56.8 secs Computing kpt #: 261 total cpu time spent up to now is 57.0 secs Computing kpt #: 262 total cpu time spent up to now is 57.2 secs Computing kpt #: 263 total cpu time spent up to now is 57.5 secs Computing kpt #: 264 total cpu time spent up to now is 57.8 secs Computing kpt #: 265 total cpu time spent up to now is 58.0 secs Computing kpt #: 266 total cpu time spent up to now is 58.2 secs Computing kpt #: 267 total cpu time spent up to now is 58.4 secs Computing kpt #: 268 total cpu time spent up to now is 58.7 secs Computing kpt #: 269 total cpu time spent up to now is 58.9 secs Computing kpt #: 270 total cpu time spent up to now is 59.1 secs Computing kpt #: 271 total cpu time spent up to now is 59.3 secs Computing kpt #: 272 total cpu time spent up to now is 59.5 secs Computing kpt #: 273 total cpu time spent up to now is 59.7 secs Computing kpt #: 274 total cpu time spent up to now is 60.0 secs Computing kpt #: 275 total cpu time spent up to now is 60.2 secs Computing kpt #: 276 total cpu time spent up to now is 60.4 secs Computing kpt #: 277 total cpu time spent up to now is 60.6 secs Computing kpt #: 278 total cpu time spent up to now is 60.9 secs Computing kpt #: 279 total cpu time spent up to now is 61.1 secs Computing kpt #: 280 total cpu time spent up to now is 61.3 secs Computing kpt #: 281 total cpu time spent up to now is 61.6 secs Computing kpt #: 282 total cpu time spent up to now is 61.8 secs Computing kpt #: 283 total cpu time spent up to now is 62.1 secs Computing kpt #: 284 total cpu time spent up to now is 62.4 secs Computing kpt #: 285 total cpu time spent up to now is 62.7 secs Computing kpt #: 286 total cpu time spent up to now is 63.0 secs Computing kpt #: 287 total cpu time spent up to now is 63.2 secs Computing kpt #: 288 total cpu time spent up to now is 63.4 secs Computing kpt #: 289 total cpu time spent up to now is 63.6 secs Computing kpt #: 290 total cpu time spent up to now is 63.8 secs Computing kpt #: 291 total cpu time spent up to now is 64.0 secs Computing kpt #: 292 total cpu time spent up to now is 64.2 secs Computing kpt #: 293 total cpu time spent up to now is 64.4 secs Computing kpt #: 294 total cpu time spent up to now is 64.6 secs Computing kpt #: 295 total cpu time spent up to now is 64.7 secs Computing kpt #: 296 total cpu time spent up to now is 64.9 secs Computing kpt #: 297 total cpu time spent up to now is 65.1 secs Computing kpt #: 298 total cpu time spent up to now is 65.3 secs Computing kpt #: 299 total cpu time spent up to now is 65.5 secs Computing kpt #: 300 total cpu time spent up to now is 65.7 secs Computing kpt #: 301 total cpu time spent up to now is 65.9 secs Computing kpt #: 302 total cpu time spent up to now is 66.1 secs Computing kpt #: 303 total cpu time spent up to now is 66.3 secs Computing kpt #: 304 total cpu time spent up to now is 66.5 secs Computing kpt #: 305 total cpu time spent up to now is 66.7 secs Computing kpt #: 306 total cpu time spent up to now is 66.9 secs Computing kpt #: 307 total cpu time spent up to now is 67.1 secs Computing kpt #: 308 total cpu time spent up to now is 67.3 secs Computing kpt #: 309 total cpu time spent up to now is 67.5 secs Computing kpt #: 310 total cpu time spent up to now is 67.7 secs Computing kpt #: 311 total cpu time spent up to now is 67.9 secs Computing kpt #: 312 total cpu time spent up to now is 68.1 secs Computing kpt #: 313 total cpu time spent up to now is 68.3 secs Computing kpt #: 314 total cpu time spent up to now is 68.5 secs Computing kpt #: 315 total cpu time spent up to now is 68.7 secs Computing kpt #: 316 total cpu time spent up to now is 68.9 secs Computing kpt #: 317 total cpu time spent up to now is 69.1 secs Computing kpt #: 318 total cpu time spent up to now is 69.3 secs Computing kpt #: 319 total cpu time spent up to now is 69.5 secs Computing kpt #: 320 total cpu time spent up to now is 69.8 secs Computing kpt #: 321 total cpu time spent up to now is 70.0 secs Computing kpt #: 322 total cpu time spent up to now is 70.1 secs ethr = 3.13E-08, avg # of iterations = 18.7 total cpu time spent up to now is 70.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5990 -9.5990 -6.4694 -6.4694 -6.4694 -6.4694 -5.2555 -5.2555 -4.1467 -4.1467 -4.1467 -4.1467 3.5331 3.5331 3.6830 3.6830 3.6830 3.6830 8.6019 8.6019 8.6019 8.6019 8.6183 8.6183 9.1526 9.1526 9.2376 9.2376 9.2376 9.2376 10.0027 10.0027 15.5227 15.5227 15.5227 15.5227 17.2806 17.2806 k = 0.0000 0.0119-0.0000 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5987 -9.5987 -6.4716 -6.4716 -6.4694 -6.4694 -5.2547 -5.2547 -4.1465 -4.1465 -4.1458 -4.1458 3.5331 3.5331 3.6827 3.6827 3.6831 3.6831 8.6005 8.6005 8.6009 8.6009 8.6172 8.6172 9.1485 9.1485 9.2303 9.2303 9.2368 9.2368 10.0154 10.0154 15.5253 15.5253 15.5256 15.5256 17.2840 17.2840 k = 0.0000 0.0238-0.0000 ( 2007 PWs) bands (ev): -22.4309 -22.4309 -9.5977 -9.5977 -6.4781 -6.4781 -6.4692 -6.4692 -5.2526 -5.2526 -4.1460 -4.1460 -4.1430 -4.1430 3.5331 3.5331 3.6815 3.6815 3.6833 3.6833 8.5965 8.5965 8.5980 8.5980 8.6138 8.6138 9.1338 9.1338 9.2126 9.2126 9.2344 9.2344 10.0517 10.0517 15.5331 15.5331 15.5345 15.5345 17.2942 17.2942 k = 0.0000 0.0357-0.0000 ( 1991 PWs) bands (ev): -22.4306 -22.4306 -9.5961 -9.5961 -6.4887 -6.4887 -6.4688 -6.4688 -5.2491 -5.2491 -4.1452 -4.1452 -4.1384 -4.1384 3.5330 3.5330 3.6797 3.6797 3.6837 3.6837 8.5897 8.5897 8.5931 8.5931 8.6083 8.6083 9.1028 9.1028 9.1944 9.1944 9.2305 9.2305 10.1075 10.1075 15.5460 15.5460 15.5492 15.5492 17.3111 17.3111 k = 0.0000 0.0476-0.0000 ( 1983 PWs) bands (ev): -22.4303 -22.4303 -9.5937 -9.5937 -6.5034 -6.5034 -6.4683 -6.4683 -5.2445 -5.2445 -4.1440 -4.1440 -4.1320 -4.1320 3.5329 3.5329 3.6773 3.6773 3.6842 3.6842 8.5800 8.5800 8.5864 8.5864 8.6009 8.6009 9.0551 9.0551 9.1806 9.1806 9.2249 9.2249 10.1783 10.1783 15.5641 15.5641 15.5696 15.5696 17.3347 17.3347 k = 0.0000 0.0595-0.0000 ( 1991 PWs) bands (ev): -22.4298 -22.4298 -9.5908 -9.5908 -6.5219 -6.5219 -6.4676 -6.4676 -5.2387 -5.2387 -4.1426 -4.1426 -4.1241 -4.1241 3.5327 3.5327 3.6743 3.6743 3.6849 3.6849 8.5674 8.5674 8.5779 8.5779 8.5918 8.5918 8.9961 8.9961 9.1694 9.1694 9.2179 9.2179 10.2606 10.2606 15.5873 15.5873 15.5956 15.5956 17.3648 17.3648 k = 0.0000 0.0714-0.0000 ( 1999 PWs) bands (ev): -22.4292 -22.4292 -9.5872 -9.5872 -6.5439 -6.5439 -6.4669 -6.4669 -5.2320 -5.2320 -4.1408 -4.1408 -4.1145 -4.1145 3.5325 3.5325 3.6708 3.6708 3.6856 3.6856 8.5519 8.5519 8.5677 8.5677 8.5812 8.5812 8.9303 8.9303 9.1586 9.1586 9.2093 9.2093 10.3517 10.3517 15.6154 15.6154 15.6271 15.6271 17.4015 17.4015 k = 0.0000 0.0833-0.0000 ( 1999 PWs) bands (ev): -22.4285 -22.4285 -9.5829 -9.5829 -6.5691 -6.5691 -6.4660 -6.4660 -5.2246 -5.2246 -4.1387 -4.1387 -4.1035 -4.1035 3.5321 3.5321 3.6671 3.6671 3.6865 3.6865 8.5339 8.5339 8.5559 8.5559 8.5691 8.5691 8.8605 8.8605 9.1474 9.1474 9.1993 9.1993 10.4500 10.4500 15.6486 15.6486 15.6637 15.6637 17.4445 17.4445 k = 0.0000 0.0952-0.0000 ( 1999 PWs) bands (ev): -22.4278 -22.4278 -9.5781 -9.5781 -6.5972 -6.5972 -6.4649 -6.4649 -5.2165 -5.2165 -4.1363 -4.1363 -4.0912 -4.0912 3.5316 3.5316 3.6631 3.6631 3.6875 3.6875 8.5133 8.5133 8.5425 8.5425 8.5556 8.5556 8.7882 8.7882 9.1352 9.1352 9.1878 9.1878 10.5545 10.5545 15.6866 15.6866 15.7055 15.7055 17.4938 17.4938 k = 0.0000 0.1071-0.0000 ( 1999 PWs) bands (ev): -22.4269 -22.4269 -9.5727 -9.5727 -6.6279 -6.6279 -6.4638 -6.4638 -5.2081 -5.2081 -4.1336 -4.1336 -4.0777 -4.0777 3.5309 3.5309 3.6592 3.6592 3.6886 3.6886 8.4904 8.4904 8.5278 8.5278 8.5409 8.5409 8.7143 8.7143 9.1220 9.1220 9.1750 9.1750 10.6642 10.6642 15.7293 15.7293 15.7519 15.7519 17.5491 17.5491 k = 0.0000 0.1190-0.0000 ( 2007 PWs) bands (ev): -22.4260 -22.4260 -9.5666 -9.5666 -6.6609 -6.6609 -6.4625 -6.4625 -5.1993 -5.1993 -4.1307 -4.1307 -4.0632 -4.0632 3.5301 3.5301 3.6553 3.6553 3.6898 3.6898 8.4654 8.4654 8.5118 8.5118 8.5250 8.5250 8.6394 8.6394 9.1077 9.1077 9.1608 9.1608 10.7787 10.7787 15.7767 15.7767 15.8029 15.8029 17.6104 17.6104 k = 0.0000 0.1310-0.0000 ( 2007 PWs) bands (ev): -22.4249 -22.4249 -9.5600 -9.5600 -6.6958 -6.6958 -6.4611 -6.4611 -5.1903 -5.1903 -4.1275 -4.1275 -4.0479 -4.0479 3.5292 3.5292 3.6517 3.6517 3.6911 3.6911 8.4386 8.4386 8.4947 8.4947 8.5082 8.5082 8.5640 8.5640 9.0923 9.0923 9.1454 9.1454 10.8976 10.8976 15.8286 15.8286 15.8581 15.8581 17.6773 17.6773 k = 0.0000 0.1429-0.0000 ( 2007 PWs) bands (ev): -22.4238 -22.4238 -9.5529 -9.5529 -6.7324 -6.7324 -6.4597 -6.4597 -5.1814 -5.1814 -4.1241 -4.1241 -4.0320 -4.0320 3.5281 3.5281 3.6484 3.6484 3.6924 3.6924 8.4102 8.4102 8.4765 8.4765 8.4885 8.4885 8.4905 8.4905 9.0759 9.0759 9.1288 9.1288 11.0206 11.0206 15.8848 15.8848 15.9171 15.9171 17.7410 17.7499 k = 0.0000 0.1548-0.0000 ( 2007 PWs) bands (ev): -22.4227 -22.4227 -9.5452 -9.5452 -6.7703 -6.7703 -6.4581 -6.4581 -5.1724 -5.1724 -4.1205 -4.1205 -4.0155 -4.0155 3.5269 3.5269 3.6455 3.6455 3.6938 3.6938 8.3803 8.3803 8.4125 8.4125 8.4579 8.4579 8.4721 8.4721 9.0584 9.0584 9.1110 9.1110 11.1474 11.1474 15.9451 15.9451 15.9797 15.9797 17.7611 17.7611 k = 0.0000 0.1667-0.0000 ( 1999 PWs) bands (ev): -22.4214 -22.4214 -9.5371 -9.5371 -6.8094 -6.8094 -6.4564 -6.4564 -5.1635 -5.1635 -4.1167 -4.1167 -3.9986 -3.9986 3.5257 3.5257 3.6431 3.6431 3.6952 3.6952 8.3370 8.3370 8.3492 8.3492 8.4384 8.4384 8.4531 8.4531 9.0399 9.0399 9.0923 9.0923 11.2777 11.2777 16.0095 16.0095 16.0455 16.0455 17.7824 17.7824 k = 0.0000 0.1786-0.0000 ( 2008 PWs) bands (ev): -22.4201 -22.4201 -9.5284 -9.5284 -6.8493 -6.8493 -6.4547 -6.4547 -5.1548 -5.1548 -4.1127 -4.1127 -3.9816 -3.9816 3.5245 3.5245 3.6412 3.6412 3.6966 3.6966 8.2616 8.2616 8.3172 8.3172 8.4185 8.4185 8.4338 8.4338 9.0205 9.0205 9.0725 9.0725 11.4114 11.4114 16.0777 16.0777 16.1141 16.1141 17.8049 17.8049 k = 0.0000 0.1905-0.0000 ( 2008 PWs) bands (ev): -22.4188 -22.4188 -9.5194 -9.5194 -6.8898 -6.8898 -6.4529 -6.4529 -5.1464 -5.1464 -4.1085 -4.1085 -3.9645 -3.9645 3.5235 3.5235 3.6398 3.6398 3.6981 3.6981 8.1868 8.1868 8.2843 8.2843 8.3983 8.3983 8.4142 8.4142 9.0004 9.0004 9.0518 9.0518 11.5482 11.5482 16.1493 16.1493 16.1852 16.1852 17.8286 17.8286 k = 0.0000 0.2024-0.0000 ( 2008 PWs) bands (ev): -22.4174 -22.4174 -9.5099 -9.5099 -6.9307 -6.9307 -6.4511 -6.4511 -5.1381 -5.1381 -4.1042 -4.1042 -3.9475 -3.9475 3.5228 3.5228 3.6389 3.6389 3.6995 3.6995 8.1125 8.1125 8.2510 8.2510 8.3779 8.3779 8.3947 8.3947 8.9795 8.9795 9.0304 9.0304 11.6878 11.6878 16.2242 16.2242 16.2584 16.2584 17.8534 17.8534 k = 0.0000 0.2143-0.0000 ( 2008 PWs) bands (ev): -22.4160 -22.4160 -9.5001 -9.5001 -6.9717 -6.9717 -6.4492 -6.4492 -5.1302 -5.1302 -4.0998 -4.0998 -3.9308 -3.9308 3.5225 3.5225 3.6384 3.6384 3.7009 3.7009 8.0389 8.0389 8.2173 8.2173 8.3576 8.3576 8.3752 8.3752 8.9580 8.9580 9.0083 9.0083 11.8301 11.8301 16.3021 16.3021 16.3333 16.3333 17.8792 17.8792 k = 0.0000 0.2262-0.0000 ( 2008 PWs) bands (ev): -22.4146 -22.4146 -9.4900 -9.4900 -7.0128 -7.0128 -6.4473 -6.4473 -5.1225 -5.1225 -4.0954 -4.0954 -3.9143 -3.9143 3.5226 3.5226 3.6383 3.6383 3.7023 3.7023 7.9662 7.9662 8.1835 8.1835 8.3374 8.3374 8.3560 8.3560 8.9360 8.9360 8.9855 8.9855 11.9747 11.9747 16.3827 16.3827 16.4095 16.4095 17.9058 17.9058 k = 0.0000 0.2381-0.0000 ( 2000 PWs) bands (ev): -22.4131 -22.4131 -9.4795 -9.4795 -7.0536 -7.0536 -6.4453 -6.4453 -5.1152 -5.1152 -4.0908 -4.0908 -3.8983 -3.8983 3.5233 3.5233 3.6385 3.6385 3.7036 3.7036 7.8946 7.8946 8.1497 8.1497 8.3175 8.3175 8.3371 8.3371 8.9135 8.9135 8.9622 8.9622 12.1213 12.1213 16.4657 16.4657 16.4867 16.4867 17.9332 17.9332 k = 0.0000 0.2500-0.0000 ( 2000 PWs) bands (ev): -22.4117 -22.4117 -9.4689 -9.4689 -7.0940 -7.0940 -6.4434 -6.4434 -5.1081 -5.1081 -4.0862 -4.0862 -3.8828 -3.8828 3.5247 3.5247 3.6390 3.6390 3.7049 3.7049 7.8241 7.8241 8.1162 8.1162 8.2980 8.2980 8.3188 8.3188 8.8907 8.8907 8.9385 8.9385 12.2697 12.2697 16.5505 16.5505 16.5644 16.5644 17.9612 17.9612 k = 0.0000 0.2619-0.0000 ( 2000 PWs) bands (ev): -22.4102 -22.4102 -9.4580 -9.4580 -7.1338 -7.1338 -6.4414 -6.4414 -5.1014 -5.1014 -4.0816 -4.0816 -3.8678 -3.8678 3.5268 3.5268 3.6397 3.6397 3.7061 3.7061 7.7550 7.7550 8.0831 8.0831 8.2791 8.2791 8.3012 8.3012 8.8676 8.8676 8.9145 8.9145 12.4194 12.4194 16.6370 16.6370 16.6423 16.6423 17.9898 17.9898 k = 0.0000 0.2738-0.0000 ( 2004 PWs) bands (ev): -22.4088 -22.4088 -9.4471 -9.4470 -7.1729 -7.1729 -6.4394 -6.4394 -5.0950 -5.0950 -4.0771 -4.0771 -3.8535 -3.8535 3.5295 3.5295 3.6406 3.6406 3.7073 3.7073 7.6874 7.6874 8.0505 8.0505 8.2609 8.2609 8.2843 8.2843 8.8444 8.8444 8.8904 8.8904 12.5701 12.5701 16.7198 16.7198 16.7245 16.7245 18.0188 18.0188 k = 0.0000 0.2857-0.0000 ( 2004 PWs) bands (ev): -22.4073 -22.4073 -9.4360 -9.4360 -7.2111 -7.2111 -6.4375 -6.4375 -5.0890 -5.0890 -4.0725 -4.0725 -3.8399 -3.8399 3.5331 3.5331 3.6416 3.6416 3.7083 3.7083 7.6216 7.6216 8.0188 8.0188 8.2434 8.2434 8.2683 8.2683 8.8213 8.8213 8.8661 8.8661 12.7213 12.7213 16.7967 16.7967 16.8127 16.8127 18.0480 18.0480 k = 0.0000 0.2976-0.0000 ( 2004 PWs) bands (ev): -22.4059 -22.4059 -9.4249 -9.4249 -7.2483 -7.2483 -6.4356 -6.4356 -5.0832 -5.0832 -4.0681 -4.0681 -3.8271 -3.8271 3.5373 3.5373 3.6427 3.6427 3.7093 3.7093 7.5576 7.5576 7.9879 7.9879 8.2268 8.2268 8.2532 8.2532 8.7982 8.7982 8.8419 8.8419 12.8727 12.8727 16.8725 16.8725 16.9010 16.9010 18.0773 18.0773 k = 0.0000 0.3095-0.0000 ( 2004 PWs) bands (ev): -22.4046 -22.4046 -9.4139 -9.4139 -7.2843 -7.2843 -6.4338 -6.4338 -5.0778 -5.0778 -4.0637 -4.0637 -3.8150 -3.8150 3.5422 3.5422 3.6439 3.6439 3.7102 3.7102 7.4957 7.4957 7.9581 7.9581 8.2112 8.2112 8.2391 8.2391 8.7754 8.7754 8.8179 8.8179 13.0235 13.0235 16.9468 16.9468 16.9890 16.9890 18.1065 18.1065 k = 0.0000 0.3214-0.0000 ( 2012 PWs) bands (ev): -22.4032 -22.4032 -9.4030 -9.4030 -7.3190 -7.3190 -6.4320 -6.4320 -5.0728 -5.0728 -4.0594 -4.0594 -3.8037 -3.8037 3.5478 3.5478 3.6450 3.6450 3.7110 3.7110 7.4361 7.4361 7.9294 7.9294 8.1965 8.1965 8.2261 8.2261 8.7530 8.7530 8.7942 8.7942 13.1733 13.1733 17.0192 17.0192 17.0760 17.0760 18.1354 18.1354 k = 0.0000 0.3333-0.0000 ( 2012 PWs) bands (ev): -22.4019 -22.4019 -9.3923 -9.3923 -7.3522 -7.3522 -6.4302 -6.4302 -5.0681 -5.0681 -4.0553 -4.0553 -3.7932 -3.7932 3.5539 3.5539 3.6462 3.6462 3.7118 3.7118 7.3790 7.3790 7.9020 7.9020 8.1829 8.1829 8.2142 8.2142 8.7310 8.7310 8.7709 8.7709 13.3214 13.3214 17.0892 17.0892 17.1614 17.1614 18.1638 18.1638 k = 0.0000 0.3452-0.0000 ( 2020 PWs) bands (ev): -22.4007 -22.4007 -9.3818 -9.3818 -7.3839 -7.3839 -6.4285 -6.4285 -5.0637 -5.0637 -4.0514 -4.0514 -3.7835 -3.7835 3.5604 3.5604 3.6473 3.6473 3.7124 3.7124 7.3246 7.3246 7.8760 7.8760 8.1704 8.1704 8.2035 8.2035 8.7097 8.7097 8.7482 8.7482 13.4670 13.4670 17.1565 17.1565 17.2447 17.2447 18.1916 18.1916 k = 0.0000 0.3571-0.0000 ( 2020 PWs) bands (ev): -22.3995 -22.3995 -9.3717 -9.3717 -7.4138 -7.4138 -6.4269 -6.4269 -5.0596 -5.0596 -4.0476 -4.0476 -3.7746 -3.7746 3.5673 3.5673 3.6484 3.6484 3.7130 3.7130 7.2732 7.2732 7.8516 7.8516 8.1590 8.1590 8.1939 8.1939 8.6891 8.6891 8.7262 8.7262 13.6093 13.6093 17.2208 17.2208 17.3251 17.3251 18.2186 18.2186 k = 0.0000 0.3690-0.0000 ( 2008 PWs) bands (ev): -22.3984 -22.3984 -9.3620 -9.3620 -7.4419 -7.4419 -6.4254 -6.4254 -5.0558 -5.0558 -4.0441 -4.0441 -3.7665 -3.7665 3.5744 3.5744 3.6494 3.6494 3.7135 3.7135 7.2248 7.2248 7.8287 7.8287 8.1487 8.1487 8.1854 8.1854 8.6695 8.6695 8.7052 8.7052 13.7474 13.7474 17.2816 17.2816 17.4022 17.4022 18.2445 18.2445 k = 0.0000 0.3810-0.0000 ( 2008 PWs) bands (ev): -22.3973 -22.3973 -9.3528 -9.3528 -7.4680 -7.4680 -6.4240 -6.4240 -5.0524 -5.0524 -4.0407 -4.0407 -3.7592 -3.7592 3.5816 3.5816 3.6503 3.6503 3.7139 3.7139 7.1798 7.1798 7.8076 7.8076 8.1395 8.1395 8.1780 8.1780 8.6510 8.6510 8.6851 8.6851 13.8803 13.8803 17.3385 17.3385 17.4752 17.4752 18.2690 18.2690 k = 0.0000 0.3929-0.0000 ( 2016 PWs) bands (ev): -22.3964 -22.3964 -9.3442 -9.3442 -7.4920 -7.4920 -6.4228 -6.4228 -5.0493 -5.0493 -4.0377 -4.0377 -3.7526 -3.7526 3.5888 3.5888 3.6511 3.6511 3.7143 3.7143 7.1382 7.1382 7.7882 7.7882 8.1314 8.1314 8.1717 8.1717 8.6335 8.6335 8.6663 8.6663 14.0067 14.0067 17.3911 17.3911 17.5435 17.5435 18.2921 18.2921 k = 0.0000 0.4048-0.0000 ( 2016 PWs) bands (ev): -22.3955 -22.3955 -9.3362 -9.3362 -7.5139 -7.5139 -6.4216 -6.4216 -5.0465 -5.0465 -4.0349 -4.0349 -3.7468 -3.7468 3.5957 3.5957 3.6517 3.6517 3.7145 3.7145 7.1005 7.1005 7.7707 7.7707 8.1243 8.1243 8.1664 8.1664 8.6175 8.6175 8.6488 8.6488 14.1254 14.1254 17.4393 17.4393 17.6064 17.6064 18.3134 18.3134 k = 0.0000 0.4167-0.0000 ( 2012 PWs) bands (ev): -22.3947 -22.3947 -9.3289 -9.3289 -7.5334 -7.5334 -6.4205 -6.4205 -5.0441 -5.0441 -4.0324 -4.0324 -3.7417 -3.7417 3.6024 3.6024 3.6523 3.6523 3.7148 3.7148 7.0666 7.0666 7.7551 7.7551 8.1183 8.1183 8.1620 8.1620 8.6029 8.6029 8.6328 8.6328 14.2352 14.2352 17.4826 17.4826 17.6635 17.6635 18.3328 18.3328 k = 0.0000 0.4286-0.0000 ( 2008 PWs) bands (ev): -22.3940 -22.3940 -9.3224 -9.3224 -7.5506 -7.5506 -6.4196 -6.4196 -5.0420 -5.0420 -4.0302 -4.0302 -3.7373 -3.7373 3.6085 3.6085 3.6527 3.6527 3.7150 3.7150 7.0369 7.0369 7.7414 7.7414 8.1132 8.1132 8.1585 8.1585 8.5899 8.5899 8.6186 8.6186 14.3345 14.3345 17.5207 17.5207 17.7142 17.7142 18.3501 18.3501 k = 0.0000 0.4405-0.0000 ( 2020 PWs) bands (ev): -22.3935 -22.3935 -9.3168 -9.3168 -7.5653 -7.5653 -6.4188 -6.4188 -5.0402 -5.0402 -4.0283 -4.0283 -3.7337 -3.7337 3.6141 3.6141 3.6529 3.6529 3.7151 3.7151 7.0114 7.0114 7.7298 7.7298 8.1090 8.1090 8.1557 8.1557 8.5787 8.5787 8.6062 8.6062 14.4218 14.4218 17.5534 17.5534 17.7579 17.7579 18.3651 18.3651 k = 0.0000 0.4524-0.0000 ( 2020 PWs) bands (ev): -22.3930 -22.3930 -9.3121 -9.3121 -7.5774 -7.5774 -6.4181 -6.4181 -5.0387 -5.0387 -4.0268 -4.0268 -3.7307 -3.7307 3.6189 3.6189 3.6530 3.6530 3.7153 3.7153 6.9903 6.9903 7.7203 7.7203 8.1057 8.1057 8.1536 8.1536 8.5693 8.5693 8.5958 8.5958 14.4958 14.4958 17.5805 17.5805 17.7943 17.7943 18.3776 18.3776 k = 0.0000 0.4643-0.0000 ( 2020 PWs) bands (ev): -22.3926 -22.3926 -9.3085 -9.3085 -7.5869 -7.5869 -6.4176 -6.4176 -5.0376 -5.0376 -4.0255 -4.0255 -3.7284 -3.7284 3.6229 3.6229 3.6530 3.6530 3.7153 3.7153 6.9738 6.9738 7.7128 7.7128 8.1032 8.1032 8.1521 8.1521 8.5619 8.5619 8.5875 8.5875 14.5550 14.5550 17.6018 17.6018 17.8229 17.8229 18.3874 18.3874 k = 0.0000 0.4762-0.0000 ( 2020 PWs) bands (ev): -22.3923 -22.3923 -9.3058 -9.3058 -7.5937 -7.5937 -6.4173 -6.4173 -5.0368 -5.0368 -4.0247 -4.0247 -3.7268 -3.7268 3.6259 3.6259 3.6529 3.6529 3.7154 3.7154 6.9620 6.9620 7.7074 7.7074 8.1014 8.1014 8.1511 8.1511 8.5566 8.5566 8.5815 8.5815 14.5983 14.5983 17.6171 17.6171 17.8436 17.8436 18.3946 18.3946 k = 0.0000 0.4881-0.0000 ( 2020 PWs) bands (ev): -22.3922 -22.3922 -9.3042 -9.3042 -7.5978 -7.5978 -6.4170 -6.4170 -5.0363 -5.0363 -4.0241 -4.0241 -3.7258 -3.7258 3.6277 3.6277 3.6528 3.6528 3.7154 3.7154 6.9548 6.9548 7.7042 7.7042 8.1004 8.1004 8.1505 8.1505 8.5533 8.5533 8.5779 8.5779 14.6246 14.6246 17.6263 17.6263 17.8561 17.8561 18.3989 18.3989 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -22.3921 -22.3921 -9.3036 -9.3036 -7.5992 -7.5992 -6.4170 -6.4170 -5.0362 -5.0362 -4.0240 -4.0240 -3.7255 -3.7255 3.6284 3.6284 3.6528 3.6528 3.7154 3.7154 6.9524 6.9524 7.7031 7.7031 8.1000 8.1000 8.1503 8.1503 8.5522 8.5522 8.5767 8.5767 14.6335 14.6335 17.6294 17.6294 17.8603 17.8603 18.4003 18.4003 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -22.3921 -22.3921 -9.3036 -9.3036 -7.5992 -7.5992 -6.4170 -6.4170 -5.0362 -5.0362 -4.0240 -4.0240 -3.7255 -3.7255 3.6284 3.6284 3.6528 3.6528 3.7154 3.7154 6.9524 6.9524 7.7031 7.7031 8.1000 8.1000 8.1503 8.1503 8.5522 8.5522 8.5767 8.5767 14.6335 14.6335 17.6294 17.6294 17.8603 17.8603 18.4003 18.4003 k = 0.0119 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3921 -22.3921 -9.3028 -9.3028 -7.5997 -7.5997 -6.4180 -6.4180 -5.0360 -5.0360 -4.0238 -4.0238 -3.7259 -3.7259 3.5379 3.5379 3.6808 3.6808 3.7803 3.7803 6.9501 6.9501 7.6981 7.6981 8.1034 8.1034 8.1540 8.1540 8.5515 8.5515 8.5760 8.5760 14.6352 14.6352 17.6305 17.6305 17.8627 17.8627 18.4025 18.4025 k = 0.0238 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3919 -22.3919 -9.3002 -9.3002 -7.6012 -7.6012 -6.4209 -6.4209 -5.0356 -5.0356 -4.0232 -4.0232 -3.7269 -3.7269 3.4301 3.4301 3.6857 3.6857 3.8908 3.8908 6.9432 6.9432 7.6844 7.6844 8.1088 8.1088 8.1686 8.1686 8.5492 8.5492 8.5743 8.5743 14.6403 14.6403 17.6338 17.6338 17.8700 17.8700 18.4087 18.4087 k = 0.0357 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3917 -22.3917 -9.2958 -9.2958 -7.6038 -7.6038 -6.4258 -6.4258 -5.0348 -5.0348 -4.0223 -4.0223 -3.7286 -3.7286 3.3227 3.3227 3.6897 3.6897 4.0067 4.0067 6.9316 6.9316 7.6653 7.6653 8.1096 8.1096 8.1976 8.1976 8.5446 8.5446 8.5721 8.5721 14.6487 14.6487 17.6393 17.6393 17.8822 17.8822 18.4191 18.4191 k = 0.0476 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3914 -22.3914 -9.2898 -9.2898 -7.6073 -7.6073 -6.4326 -6.4326 -5.0339 -5.0339 -4.0211 -4.0211 -3.7310 -3.7310 3.2169 3.2169 3.6946 3.6946 4.1250 4.1250 6.9150 6.9150 7.6442 7.6442 8.1056 8.1056 8.2379 8.2379 8.5369 8.5369 8.5703 8.5703 14.6606 14.6606 17.6469 17.6469 17.8992 17.8992 18.4335 18.4335 k = 0.0595 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3910 -22.3910 -9.2820 -9.2820 -7.6118 -7.6118 -6.4414 -6.4414 -5.0326 -5.0326 -4.0195 -4.0195 -3.7340 -3.7340 3.1131 3.1131 3.7008 3.7008 4.2449 4.2449 6.8934 6.8934 7.6238 7.6238 8.0982 8.0982 8.2855 8.2855 8.5260 8.5260 8.5690 8.5690 14.6758 14.6758 17.6565 17.6565 17.9212 17.9212 18.4519 18.4519 k = 0.0714 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3905 -22.3905 -9.2725 -9.2725 -7.6172 -7.6172 -6.4523 -6.4523 -5.0311 -5.0311 -4.0175 -4.0175 -3.7376 -3.7376 3.0114 3.0114 3.7083 3.7083 4.3661 4.3661 6.8666 6.8666 7.6061 7.6061 8.0884 8.0884 8.3378 8.3378 8.5120 8.5120 8.5683 8.5683 14.6945 14.6945 17.6680 17.6680 17.9481 17.9481 18.4741 18.4741 k = 0.0833 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3899 -22.3899 -9.2613 -9.2613 -7.6235 -7.6235 -6.4651 -6.4651 -5.0293 -5.0293 -4.0152 -4.0152 -3.7417 -3.7417 2.9121 2.9121 3.7170 3.7170 4.4885 4.4885 6.8348 6.8348 7.5920 7.5920 8.0766 8.0766 8.3932 8.3932 8.4951 8.4951 8.5680 8.5680 14.7166 14.7166 17.6813 17.6813 17.9800 17.9800 18.5001 18.5001 k = 0.0952 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3893 -22.3893 -9.2484 -9.2484 -7.6307 -7.6307 -6.4799 -6.4799 -5.0273 -5.0273 -4.0127 -4.0127 -3.7463 -3.7463 2.8150 2.8150 3.7270 3.7270 4.6118 4.6118 6.7983 6.7983 7.5822 7.5822 8.0629 8.0629 8.4503 8.4503 8.4756 8.4756 8.5678 8.5678 14.7421 14.7421 17.6963 17.6963 18.0168 18.0168 18.5297 18.5297 k = 0.1071 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3886 -22.3886 -9.2339 -9.2339 -7.6387 -7.6387 -6.4967 -6.4967 -5.0250 -5.0250 -4.0098 -4.0098 -3.7513 -3.7513 2.7204 2.7204 3.7383 3.7383 4.7359 4.7359 6.7577 6.7577 7.5767 7.5767 8.0476 8.0476 8.4531 8.4531 8.5091 8.5091 8.5679 8.5679 14.7711 14.7711 17.7130 17.7130 18.0586 18.0586 18.5627 18.5627 k = 0.1190 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3878 -22.3878 -9.2176 -9.2176 -7.6475 -7.6475 -6.5155 -6.5155 -5.0226 -5.0226 -4.0066 -4.0066 -3.7567 -3.7567 2.6282 2.6282 3.7507 3.7507 4.8606 4.8606 6.7134 6.7134 7.5755 7.5755 8.0307 8.0307 8.4286 8.4286 8.5634 8.5634 8.5728 8.5728 14.8035 14.8035 17.7313 17.7313 18.1051 18.1051 18.5989 18.5989 k = 0.1310 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3869 -22.3869 -9.1996 -9.1996 -7.6569 -7.6569 -6.5364 -6.5364 -5.0199 -5.0199 -4.0031 -4.0031 -3.7623 -3.7623 2.5385 2.5385 3.7644 3.7644 4.9857 4.9857 6.6662 6.6662 7.5782 7.5782 8.0124 8.0124 8.4018 8.4018 8.5667 8.5667 8.6290 8.6290 14.8395 14.8395 17.7510 17.7510 18.1564 18.1564 18.6381 18.6381 k = 0.1429 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3860 -22.3860 -9.1800 -9.1800 -7.6671 -7.6671 -6.5593 -6.5593 -5.0170 -5.0170 -3.9994 -3.9994 -3.7681 -3.7681 2.4514 2.4514 3.7791 3.7791 5.1111 5.1111 6.6167 6.6167 7.5843 7.5843 7.9929 7.9929 8.3730 8.3730 8.5665 8.5665 8.6886 8.6886 14.8790 14.8790 17.7722 17.7722 18.2123 18.2123 18.6802 18.6802 k = 0.1548 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3850 -22.3850 -9.1588 -9.1588 -7.6777 -7.6777 -6.5842 -6.5842 -5.0140 -5.0140 -3.9955 -3.9955 -3.7741 -3.7741 2.3669 2.3669 3.7949 3.7949 5.2364 5.2364 6.5654 6.5654 7.5936 7.5936 7.9723 7.9723 8.3422 8.3422 8.5660 8.5660 8.7481 8.7481 14.9221 14.9221 17.7947 17.7947 18.2728 18.2728 18.7248 18.7248 k = 0.1667 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3840 -22.3840 -9.1359 -9.1359 -7.6889 -7.6889 -6.6111 -6.6111 -5.0108 -5.0108 -3.9913 -3.9913 -3.7801 -3.7801 2.2850 2.2850 3.8118 3.8118 5.3616 5.3616 6.5128 6.5128 7.6055 7.6055 7.9508 7.9508 8.3096 8.3096 8.5651 8.5651 8.8071 8.8071 14.9688 14.9688 17.8185 17.8185 18.3377 18.3377 18.7717 18.7717 k = 0.1786 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3829 -22.3829 -9.1114 -9.1114 -7.7006 -7.7006 -6.6401 -6.6401 -5.0074 -5.0074 -3.9870 -3.9870 -3.7862 -3.7862 2.2058 2.2058 3.8296 3.8296 5.4864 5.4864 6.4595 6.4595 7.6197 7.6197 7.9284 7.9284 8.2754 8.2754 8.5639 8.5639 8.8656 8.8656 15.0191 15.0191 17.8435 17.8435 18.4067 18.4067 18.8206 18.8206 k = 0.1905 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3818 -22.3818 -9.0853 -9.0853 -7.7126 -7.7126 -6.6710 -6.6710 -5.0039 -5.0039 -3.9825 -3.9825 -3.7921 -3.7921 2.1292 2.1292 3.8483 3.8483 5.6107 5.6107 6.4059 6.4059 7.6358 7.6358 7.9054 7.9054 8.2398 8.2398 8.5622 8.5622 8.9232 8.9232 15.0731 15.0731 17.8695 17.8695 18.4798 18.4798 18.8713 18.8713 k = 0.2024 0.5000-0.0000 ( 2020 PWs) bands (ev): -22.3807 -22.3807 -9.0576 -9.0576 -7.7249 -7.7249 -6.7038 -6.7038 -5.0003 -5.0003 -3.9779 -3.9779 -3.7980 -3.7980 2.0553 2.0553 3.8678 3.8678 5.7341 5.7341 6.3523 6.3523 7.6536 7.6536 7.8818 7.8818 8.2028 8.2028 8.5601 8.5601 8.9799 8.9799 15.1307 15.1307 17.8966 17.8966 18.5566 18.5566 18.9233 18.9233 k = 0.2143 0.5000-0.0000 ( 2020 PWs) bands (ev): -22.3795 -22.3795 -9.0284 -9.0284 -7.7375 -7.7375 -6.7386 -6.7386 -4.9966 -4.9966 -3.9731 -3.9731 -3.8037 -3.8037 1.9842 1.9842 3.8881 3.8881 5.8566 5.8566 6.2990 6.2990 7.6726 7.6726 7.8578 7.8578 8.1648 8.1648 8.5573 8.5573 9.0355 9.0355 15.1920 15.1920 17.9246 17.9246 18.6369 18.6369 18.9764 18.9764 k = 0.2262 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3783 -22.3783 -8.9976 -8.9976 -7.7502 -7.7502 -6.7753 -6.7753 -4.9929 -4.9929 -3.9683 -3.9683 -3.8091 -3.8091 1.9158 1.9158 3.9091 3.9091 5.9779 5.9779 6.2463 6.2463 7.6926 7.6926 7.8337 7.8337 8.1259 8.1259 8.5540 8.5540 9.0899 9.0899 15.2571 15.2571 17.9533 17.9533 18.7201 18.7201 19.0279 19.0279 k = 0.2381 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3771 -22.3771 -8.9653 -8.9653 -7.7630 -7.7630 -6.8137 -6.8137 -4.9891 -4.9891 -3.9635 -3.9635 -3.8143 -3.8143 1.8501 1.8501 3.9306 3.9306 6.0978 6.0978 6.1945 6.1945 7.7132 7.7132 7.8098 7.8098 8.0862 8.0862 8.5499 8.5499 9.1429 9.1429 15.3260 15.3260 17.9827 17.9827 18.8053 18.8053 19.0025 19.0025 k = 0.2500 0.5000-0.0000 ( 2028 PWs) bands (ev): -22.3759 -22.3759 -8.9315 -8.9315 -7.7758 -7.7758 -6.8539 -6.8539 -4.9852 -4.9852 -3.9586 -3.9586 -3.8192 -3.8192 1.7873 1.7873 3.9527 3.9527 6.1438 6.1438 6.2161 6.2161 7.7336 7.7336 7.7867 7.7867 8.0461 8.0461 8.5449 8.5449 9.1944 9.1944 15.3985 15.3985 18.0126 18.0126 18.8889 18.8889 18.9508 18.9508 k = 0.2619 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3746 -22.3746 -8.8963 -8.8963 -7.7885 -7.7885 -6.8958 -6.8958 -4.9814 -4.9814 -3.9538 -3.9538 -3.8238 -3.8238 1.7272 1.7272 3.9751 3.9751 6.0943 6.0943 6.3326 6.3326 7.7470 7.7470 7.7710 7.7710 8.0056 8.0056 8.5390 8.5390 9.2444 9.2444 15.4750 15.4750 18.0430 18.0430 18.8883 18.8883 18.9833 18.9833 k = 0.2738 0.5000-0.0000 ( 2010 PWs) bands (ev): -22.3734 -22.3734 -8.8597 -8.8597 -7.8012 -7.8012 -6.9393 -6.9393 -4.9775 -4.9775 -3.9490 -3.9490 -3.8280 -3.8280 1.6699 1.6699 3.9977 3.9977 6.0463 6.0463 6.4470 6.4470 7.7325 7.7325 7.7837 7.7837 7.9650 7.9650 8.5321 8.5321 9.2927 9.2927 15.5553 15.5553 18.0736 18.0736 18.8372 18.8372 19.0617 19.0617 k = 0.2857 0.5000-0.0000 ( 2010 PWs) bands (ev): -22.3722 -22.3722 -8.8216 -8.8216 -7.8136 -7.8136 -6.9844 -6.9844 -4.9737 -4.9737 -3.9443 -3.9443 -3.8318 -3.8318 1.6155 1.6155 4.0206 4.0206 5.9999 5.9999 6.5592 6.5592 7.7104 7.7104 7.8046 7.8046 7.9246 7.9246 8.5241 8.5241 9.3391 9.3391 15.6392 15.6392 18.1044 18.1044 18.7865 18.7865 19.1238 19.1238 k = 0.2976 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3710 -22.3710 -8.7822 -8.7822 -7.8258 -7.8258 -7.0309 -7.0309 -4.9700 -4.9700 -3.9398 -3.9398 -3.8352 -3.8352 1.5639 1.5639 4.0434 4.0434 5.9553 5.9553 6.6690 6.6690 7.6878 7.6878 7.8262 7.8262 7.8845 7.8845 8.5148 8.5148 9.3837 9.3837 15.7269 15.7269 18.1353 18.1353 18.7374 18.7374 19.1509 19.1509 k = 0.3095 0.5000-0.0000 ( 2022 PWs) bands (ev): -22.3699 -22.3699 -8.7415 -8.7415 -7.8376 -7.8376 -7.0787 -7.0787 -4.9663 -4.9663 -3.9354 -3.9354 -3.8382 -3.8382 1.5151 1.5151 4.0662 4.0662 5.9125 5.9125 6.7763 6.7763 7.6656 7.6656 7.8449 7.8449 7.8478 7.8478 8.5041 8.5041 9.4263 9.4263 15.8183 15.8183 18.1660 18.1660 18.6903 18.6903 19.1429 19.1429 k = 0.3214 0.5000-0.0000 ( 2024 PWs) bands (ev): -22.3688 -22.3688 -8.6994 -8.6994 -7.8491 -7.8491 -7.1278 -7.1278 -4.9627 -4.9627 -3.9312 -3.9312 -3.8408 -3.8408 1.4692 1.4692 4.0887 4.0887 5.8717 5.8717 6.8808 6.8808 7.6441 7.6441 7.8062 7.8062 7.8688 7.8688 8.4920 8.4920 9.4669 9.4669 15.9133 15.9133 18.1965 18.1965 18.6454 18.6454 19.1167 19.1167 k = 0.3333 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3677 -22.3677 -8.6562 -8.6562 -7.8601 -7.8601 -7.1780 -7.1780 -4.9593 -4.9593 -3.9273 -3.9273 -3.8430 -3.8430 1.4261 1.4261 4.1108 4.1108 5.8331 5.8331 6.9824 6.9824 7.6235 7.6235 7.7685 7.7685 7.8894 7.8894 8.4783 8.4783 9.5052 9.5052 16.0118 16.0118 18.2267 18.2267 18.6029 18.6029 19.0832 19.0832 k = 0.3452 0.5000-0.0000 ( 2020 PWs) bands (ev): -22.3667 -22.3667 -8.6117 -8.6117 -7.8706 -7.8706 -7.2293 -7.2293 -4.9559 -4.9559 -3.9236 -3.9236 -3.8449 -3.8449 1.3860 1.3860 4.1323 4.1323 5.7967 5.7967 7.0809 7.0809 7.6037 7.6037 7.7321 7.7321 7.9092 7.9092 8.4628 8.4628 9.5413 9.5413 16.1135 16.1135 18.2564 18.2564 18.5628 18.5628 19.0470 19.0470 k = 0.3571 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3657 -22.3657 -8.5660 -8.5660 -7.8806 -7.8806 -7.2815 -7.2815 -4.9528 -4.9528 -3.9202 -3.9202 -3.8463 -3.8463 1.3488 1.3488 4.1531 4.1531 5.7626 5.7626 7.1763 7.1763 7.5851 7.5851 7.6971 7.6971 7.9281 7.9281 8.4456 8.4456 9.5751 9.5751 16.2184 16.2184 18.2855 18.2855 18.5253 18.5253 19.0103 19.0103 k = 0.3690 0.5000-0.0000 ( 2010 PWs) bands (ev): -22.3647 -22.3647 -8.5193 -8.5193 -7.8899 -7.8899 -7.3346 -7.3346 -4.9498 -4.9498 -3.9172 -3.9172 -3.8474 -3.8474 1.3144 1.3144 4.1731 4.1731 5.7309 5.7309 7.2683 7.2683 7.5676 7.5676 7.6639 7.6639 7.9459 7.9459 8.4263 8.4263 9.6065 9.6065 16.3260 16.3260 18.3140 18.3140 18.4905 18.4905 18.9737 18.9737 k = 0.3810 0.5000-0.0000 ( 2014 PWs) bands (ev): -22.3639 -22.3639 -8.4714 -8.4714 -7.8986 -7.8986 -7.3884 -7.3884 -4.9470 -4.9470 -3.9145 -3.9145 -3.8481 -3.8481 1.2831 1.2831 4.1921 4.1921 5.7017 5.7017 7.3569 7.3569 7.5513 7.5513 7.6327 7.6327 7.9627 7.9627 8.4050 8.4050 9.6354 9.6354 16.4360 16.4360 18.3417 18.3417 18.4585 18.4585 18.9379 18.9379 k = 0.3929 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3631 -22.3631 -8.4226 -8.4226 -7.9066 -7.9066 -7.4428 -7.4428 -4.9444 -4.9444 -3.9121 -3.9121 -3.8486 -3.8486 1.2546 1.2546 4.2098 4.2098 5.6751 5.6751 7.4420 7.4420 7.5363 7.5363 7.6036 7.6036 7.9781 7.9781 8.3814 8.3814 9.6617 9.6617 16.5478 16.5478 18.3685 18.3685 18.4295 18.4295 18.9029 18.9029 k = 0.4048 0.5000-0.0000 ( 2018 PWs) bands (ev): -22.3623 -22.3623 -8.3729 -8.3729 -7.9139 -7.9139 -7.4977 -7.4977 -4.9420 -4.9420 -3.9100 -3.9100 -3.8488 -3.8488 1.2291 1.2291 4.2262 4.2262 5.6511 5.6511 7.5210 7.5210 7.5249 7.5249 7.5774 7.5774 7.9922 7.9922 8.3554 8.3554 9.6855 9.6855 16.6606 16.6606 18.3928 18.3928 18.4051 18.4051 18.8688 18.8688 k = 0.4167 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3617 -22.3617 -8.3222 -8.3222 -7.9204 -7.9204 -7.5530 -7.5530 -4.9399 -4.9399 -3.9082 -3.9082 -3.8489 -3.8489 1.2066 1.2066 4.2411 4.2411 5.6298 5.6298 7.5105 7.5105 7.5519 7.5519 7.6025 7.6025 8.0049 8.0049 8.3270 8.3270 9.7065 9.7065 16.7733 16.7733 18.3796 18.3796 18.4203 18.4203 18.8354 18.8354 k = 0.4286 0.5000-0.0000 ( 2012 PWs) bands (ev): -22.3611 -22.3611 -8.2708 -8.2708 -7.9261 -7.9261 -7.6086 -7.6086 -4.9380 -4.9380 -3.9068 -3.9068 -3.8487 -3.8487 1.1871 1.1871 4.2544 4.2544 5.6112 5.6112 7.4999 7.4999 7.5311 7.5311 7.6764 7.6764 8.0160 8.0160 8.2959 8.2959 9.7249 9.7249 16.8844 16.8844 18.3602 18.3602 18.4438 18.4438 18.8023 18.8023 k = 0.4405 0.5000-0.0000 ( 2016 PWs) bands (ev): -22.3606 -22.3606 -8.2186 -8.2186 -7.9309 -7.9309 -7.6643 -7.6643 -4.9364 -4.9364 -3.9056 -3.9056 -3.8485 -3.8485 1.1705 1.1705 4.2659 4.2659 5.5955 5.5955 7.4908 7.4908 7.5128 7.5128 7.7469 7.7469 8.0256 8.0256 8.2621 8.2621 9.7405 9.7405 16.9917 16.9917 18.3440 18.3440 18.4661 18.4661 18.7686 18.7686 k = 0.4524 0.5000-0.0000 ( 2020 PWs) bands (ev): -22.3602 -22.3602 -8.1659 -8.1659 -7.9350 -7.9350 -7.7199 -7.7199 -4.9351 -4.9351 -3.9047 -3.9047 -3.8483 -3.8483 1.1570 1.1570 4.2754 4.2754 5.5825 5.5825 7.4833 7.4833 7.4976 7.4976 7.8139 7.8139 8.0334 8.0334 8.2254 8.2254 9.7533 9.7533 17.0921 17.0921 18.3312 18.3312 18.4866 18.4866 18.7330 18.7330 k = 0.4643 0.5000-0.0000 ( 2012 PWs) bands (ev): -22.3599 -22.3599 -8.1127 -8.1127 -7.9382 -7.9382 -7.7754 -7.7754 -4.9340 -4.9340 -3.9039 -3.9039 -3.8481 -3.8481 1.1464 1.1464 4.2830 4.2830 5.5724 5.5724 7.4775 7.4775 7.4856 7.4856 7.8772 7.8772 8.0396 8.0396 8.1858 8.1858 9.7634 9.7634 17.1811 17.1811 18.3221 18.3221 18.5048 18.5048 18.6939 18.6939 k = 0.4762 0.5000-0.0000 ( 2008 PWs) bands (ev): -22.3597 -22.3597 -8.0595 -8.0595 -7.9407 -7.9407 -7.8300 -7.8300 -4.9333 -4.9333 -3.9035 -3.9035 -3.8479 -3.8479 1.1389 1.1389 4.2884 4.2884 5.5651 5.5651 7.4732 7.4732 7.4771 7.4771 7.9367 7.9367 8.0440 8.0440 8.1432 8.1432 9.7705 9.7705 17.2528 17.2528 18.3166 18.3166 18.5200 18.5200 18.6529 18.6529 k = 0.4881 0.5000-0.0000 ( 2000 PWs) bands (ev): -22.3595 -22.3595 -8.0078 -8.0078 -7.9430 -7.9430 -7.8818 -7.8818 -4.9328 -4.9328 -3.9032 -3.9032 -3.8477 -3.8477 1.1344 1.1344 4.2917 4.2917 5.5608 5.5608 7.4704 7.4704 7.4722 7.4722 7.9922 7.9922 8.0466 8.0466 8.0981 8.0981 9.7748 9.7748 17.3001 17.3001 18.3141 18.3141 18.5311 18.5311 18.6186 18.6186 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -22.3595 -22.3595 -7.9724 -7.9724 -7.9482 -7.9482 -7.9128 -7.9128 -4.9327 -4.9327 -3.9031 -3.9031 -3.8477 -3.8477 1.1329 1.1329 4.2928 4.2928 5.5593 5.5593 7.4692 7.4692 7.4707 7.4707 8.0343 8.0343 8.0452 8.0452 8.0617 8.0617 9.7763 9.7763 17.3167 17.3167 18.3134 18.3134 18.5357 18.5357 18.6046 18.6046 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -22.3595 -22.3595 -7.9724 -7.9724 -7.9482 -7.9482 -7.9128 -7.9128 -4.9327 -4.9327 -3.9031 -3.9031 -3.8477 -3.8477 1.1329 1.1329 4.2928 4.2928 5.5593 5.5593 7.4692 7.4692 7.4707 7.4707 8.0343 8.0343 8.0452 8.0452 8.0617 8.0617 9.7763 9.7763 17.3167 17.3167 18.3134 18.3134 18.5357 18.5357 18.6046 18.6046 k = 0.4915 0.4915-0.0000 ( 2002 PWs) bands (ev): -22.3595 -22.3595 -8.0083 -8.0083 -7.9427 -7.9427 -7.8816 -7.8816 -4.9328 -4.9328 -3.9032 -3.9032 -3.8478 -3.8478 1.1344 1.1344 4.2917 4.2917 5.5608 5.5608 7.4703 7.4703 7.4723 7.4723 7.9921 7.9921 8.0461 8.0461 8.0987 8.0987 9.7748 9.7748 17.2998 17.2998 18.3140 18.3140 18.5314 18.5314 18.6186 18.6186 k = 0.4831 0.4831-0.0000 ( 2006 PWs) bands (ev): -22.3597 -22.3597 -8.0608 -8.0608 -7.9395 -7.9395 -7.8299 -7.8299 -4.9333 -4.9333 -3.9034 -3.9034 -3.8479 -3.8479 1.1390 1.1390 4.2884 4.2884 5.5652 5.5652 7.4725 7.4725 7.4779 7.4779 7.9370 7.9370 8.0419 8.0419 8.1449 8.1449 9.7705 9.7705 17.2513 17.2513 18.3160 18.3160 18.5231 18.5231 18.6531 18.6531 k = 0.4746 0.4746-0.0000 ( 2012 PWs) bands (ev): -22.3599 -22.3599 -8.1150 -8.1150 -7.9354 -7.9354 -7.7758 -7.7758 -4.9340 -4.9340 -3.9039 -3.9039 -3.8481 -3.8481 1.1466 1.1466 4.2828 4.2828 5.5726 5.5726 7.4759 7.4759 7.4875 7.4875 7.8784 7.8784 8.0348 8.0348 8.1890 8.1890 9.7633 9.7633 17.1765 17.1765 18.3193 18.3193 18.5147 18.5147 18.6981 18.6981 k = 0.4661 0.4661-0.0000 ( 2020 PWs) bands (ev): -22.3602 -22.3602 -8.1694 -8.1694 -7.9300 -7.9300 -7.7212 -7.7212 -4.9351 -4.9351 -3.9046 -3.9046 -3.8484 -3.8484 1.1572 1.1572 4.2752 4.2752 5.5829 5.5829 7.4807 7.4807 7.5008 7.5008 7.8165 7.8165 8.0249 8.0249 8.2306 8.2306 9.7535 9.7535 17.0816 17.0816 18.3226 18.3226 18.5075 18.5075 18.7485 18.7485 k = 0.4576 0.4576-0.0000 ( 2019 PWs) bands (ev): -22.3607 -22.3607 -8.2236 -8.2236 -7.9231 -7.9231 -7.6669 -7.6669 -4.9364 -4.9364 -3.9054 -3.9054 -3.8487 -3.8487 1.1707 1.1707 4.2656 4.2656 5.5961 5.5961 7.4867 7.4867 7.5178 7.5178 7.7515 7.7515 8.0126 8.0126 8.2696 8.2696 9.7412 9.7412 16.9720 16.9720 18.3237 18.3237 18.5037 18.5037 18.8035 18.8035 k = 0.4492 0.4492-0.0000 ( 2019 PWs) bands (ev): -22.3612 -22.3612 -8.2774 -8.2774 -7.9146 -7.9146 -7.6130 -7.6130 -4.9380 -4.9380 -3.9065 -3.9065 -3.8491 -3.8491 1.1871 1.1871 4.2540 4.2540 5.6123 5.6123 7.4940 7.4940 7.5383 7.5383 7.6834 7.6834 7.9979 7.9979 8.3062 8.3062 9.7266 9.7266 16.8517 16.8517 18.3192 18.3192 18.5058 18.5058 18.8639 18.8639 k = 0.4407 0.4407-0.0000 ( 2007 PWs) bands (ev): -22.3617 -22.3617 -8.3306 -8.3306 -7.9047 -7.9047 -7.5598 -7.5598 -4.9398 -4.9398 -3.9076 -3.9076 -3.8496 -3.8496 1.2064 1.2064 4.2407 4.2407 5.6314 5.6314 7.5026 7.5026 7.5621 7.5621 7.6122 7.6122 7.9811 7.9811 8.3404 8.3404 9.7100 9.7100 16.7236 16.7236 18.3068 18.3068 18.5156 18.5156 18.9305 18.9305 k = 0.4322 0.4322-0.0000 ( 2013 PWs) bands (ev): -22.3624 -22.3624 -8.3831 -8.3831 -7.8933 -7.8933 -7.5073 -7.5073 -4.9419 -4.9419 -3.9090 -3.9090 -3.8500 -3.8500 1.2283 1.2283 4.2258 4.2258 5.6535 5.6535 7.5115 7.5115 7.5385 7.5385 7.5893 7.5893 7.9625 7.9625 8.3721 8.3721 9.6916 9.6916 16.5899 16.5899 18.2859 18.2859 18.5332 18.5332 19.0039 19.0039 k = 0.4237 0.4237-0.0000 ( 2013 PWs) bands (ev): -22.3632 -22.3632 -8.4349 -8.4349 -7.8804 -7.8804 -7.4558 -7.4558 -4.9441 -4.9441 -3.9105 -3.9105 -3.8505 -3.8505 1.2529 1.2529 4.2095 4.2095 5.6785 5.6785 7.4591 7.4591 7.5246 7.5246 7.6191 7.6191 7.9424 7.9424 8.4016 8.4016 9.6717 9.6717 16.4520 16.4520 18.2575 18.2575 18.5569 18.5569 19.0840 19.0840 k = 0.4153 0.4153-0.0000 ( 2009 PWs) bands (ev): -22.3641 -22.3641 -8.4858 -8.4858 -7.8661 -7.8661 -7.4054 -7.4054 -4.9466 -4.9466 -3.9121 -3.9121 -3.8509 -3.8509 1.2801 1.2801 4.1918 4.1918 5.7064 5.7064 7.3787 7.3787 7.5368 7.5368 7.6517 7.6517 7.9211 7.9211 8.4289 8.4289 9.6506 9.6506 16.3109 16.3109 18.2229 18.2229 18.5850 18.5850 19.1708 19.1708 k = 0.4068 0.4068-0.0000 ( 2009 PWs) bands (ev): -22.3650 -22.3650 -8.5358 -8.5358 -7.8503 -7.8503 -7.3562 -7.3562 -4.9492 -4.9492 -3.9139 -3.9139 -3.8513 -3.8513 1.3097 1.3097 4.1731 4.1731 5.7372 5.7372 7.2952 7.2952 7.5505 7.5505 7.6868 7.6868 7.8989 7.8989 8.4541 8.4541 9.6285 9.6285 16.1673 16.1673 18.1831 18.1831 18.6158 18.6158 19.2635 19.2635 k = 0.3983 0.3983-0.0000 ( 2013 PWs) bands (ev): -22.3660 -22.3660 -8.5849 -8.5849 -7.8331 -7.8331 -7.3083 -7.3083 -4.9519 -4.9519 -3.9158 -3.9158 -3.8516 -3.8516 1.3416 1.3416 4.1534 4.1534 5.7709 5.7709 7.2087 7.2087 7.5654 7.5654 7.7241 7.7241 7.8762 7.8762 8.4772 8.4772 9.6058 9.6058 16.0218 16.0218 18.1391 18.1391 18.6480 18.6480 19.3605 19.3605 k = 0.3898 0.3898-0.0000 ( 2013 PWs) bands (ev): -22.3671 -22.3671 -8.6329 -8.6329 -7.8144 -7.8144 -7.2618 -7.2618 -4.9548 -4.9548 -3.9178 -3.9178 -3.8519 -3.8519 1.3757 1.3757 4.1329 4.1329 5.8075 5.8075 7.1194 7.1194 7.5816 7.5816 7.7633 7.7633 7.8534 7.8534 8.4983 8.4983 9.5828 9.5828 15.8748 15.8748 18.0913 18.0913 18.6804 18.6804 19.4568 19.4568 k = 0.3814 0.3814-0.0000 ( 2021 PWs) bands (ev): -22.3683 -22.3683 -8.6798 -8.6798 -7.7944 -7.7944 -7.2169 -7.2169 -4.9577 -4.9577 -3.9200 -3.9200 -3.8522 -3.8522 1.4120 1.4120 4.1118 4.1118 5.8470 5.8470 7.0276 7.0276 7.5989 7.5989 7.8033 7.8033 7.8317 7.8317 8.5174 8.5174 9.5596 9.5596 15.7266 15.7266 18.0402 18.0402 18.7118 18.7118 19.5159 19.5159 k = 0.3729 0.3729-0.0000 ( 2023 PWs) bands (ev): -22.3696 -22.3696 -8.7257 -8.7257 -7.7731 -7.7731 -7.1737 -7.1737 -4.9608 -4.9608 -3.9223 -3.9223 -3.8524 -3.8524 1.4503 1.4503 4.0903 4.0903 5.8894 5.8894 6.9333 6.9333 7.6173 7.6173 7.8068 7.8068 7.8488 7.8488 8.5347 8.5347 9.5365 9.5365 15.5775 15.5775 17.9862 17.9862 18.7415 18.7415 19.4480 19.4480 k = 0.3644 0.3644-0.0000 ( 2023 PWs) bands (ev): -22.3709 -22.3709 -8.7703 -8.7703 -7.7504 -7.7504 -7.1321 -7.1321 -4.9639 -4.9639 -3.9247 -3.9247 -3.8525 -3.8525 1.4905 1.4905 4.0685 4.0685 5.9346 5.9346 6.8368 6.8368 7.6368 7.6368 7.7860 7.7860 7.8923 7.8923 8.5502 8.5502 9.5137 9.5137 15.4276 15.4276 17.9297 17.9297 18.7686 18.7686 19.3300 19.3300 k = 0.3559 0.3559-0.0000 ( 2019 PWs) bands (ev): -22.3723 -22.3723 -8.8138 -8.8138 -7.7264 -7.7264 -7.0923 -7.0923 -4.9671 -4.9671 -3.9273 -3.9273 -3.8526 -3.8526 1.5325 1.5325 4.0466 4.0466 5.9826 5.9826 6.7383 6.7383 7.6574 7.6574 7.7660 7.7660 7.9374 7.9374 8.5640 8.5640 9.4914 9.4914 15.2772 15.2772 17.8708 17.8708 18.7921 18.7921 19.2027 19.2027 k = 0.3475 0.3475-0.0000 ( 2017 PWs) bands (ev): -22.3737 -22.3737 -8.8561 -8.8561 -7.7011 -7.7011 -7.0544 -7.0544 -4.9703 -4.9703 -3.9301 -3.9301 -3.8527 -3.8527 1.5763 1.5763 4.0246 4.0246 6.0333 6.0333 6.6379 6.6379 7.6791 7.6791 7.7474 7.7474 7.9835 7.9835 8.5762 8.5762 9.4697 9.4697 15.1263 15.1263 17.8099 17.8099 18.8112 18.8112 19.0724 19.0724 k = 0.3390 0.3390-0.0000 ( 2011 PWs) bands (ev): -22.3752 -22.3752 -8.8971 -8.8971 -7.6746 -7.6746 -7.0183 -7.0183 -4.9736 -4.9736 -3.9331 -3.9331 -3.8528 -3.8528 1.6217 1.6217 4.0028 4.0028 6.0869 6.0869 6.5359 6.5359 7.7016 7.7016 7.7306 7.7306 8.0303 8.0303 8.5869 8.5869 9.4488 9.4488 14.9751 14.9751 17.7472 17.7472 18.8245 18.8245 18.9419 18.9419 k = 0.3305 0.3305-0.0000 ( 2011 PWs) bands (ev): -22.3768 -22.3768 -8.9368 -8.9368 -7.6469 -7.6469 -6.9840 -6.9840 -4.9770 -4.9770 -3.9362 -3.9362 -3.8530 -3.8530 1.6687 1.6687 3.9812 3.9812 6.1431 6.1431 6.4325 6.4325 7.7155 7.7155 7.7254 7.7254 8.0777 8.0777 8.5960 8.5960 9.4288 9.4288 14.8237 14.8237 17.6830 17.6830 18.7984 18.7984 18.8449 18.8449 k = 0.3220 0.3220-0.0000 ( 2011 PWs) bands (ev): -22.3784 -22.3784 -8.9753 -8.9753 -7.6180 -7.6180 -6.9516 -6.9516 -4.9805 -4.9805 -3.9396 -3.9396 -3.8532 -3.8532 1.7171 1.7171 3.9599 3.9599 6.2019 6.2019 6.3281 6.3281 7.7033 7.7033 7.7497 7.7497 8.1254 8.1254 8.6038 8.6038 9.4097 9.4097 14.6721 14.6721 17.6174 17.6174 18.6719 18.6719 18.8426 18.8426 k = 0.3136 0.3136-0.0000 ( 2015 PWs) bands (ev): -22.3801 -22.3801 -9.0124 -9.0124 -7.5880 -7.5880 -6.9211 -6.9211 -4.9841 -4.9841 -3.9432 -3.9432 -3.8536 -3.8536 1.7670 1.7670 3.9390 3.9390 6.2226 6.2226 6.2635 6.2635 7.6935 7.6935 7.7750 7.7750 8.1733 8.1733 8.6104 8.6104 9.3916 9.3916 14.5205 14.5205 17.5506 17.5506 18.5402 18.5402 18.8398 18.8398 k = 0.3051 0.3051-0.0000 ( 2015 PWs) bands (ev): -22.3818 -22.3818 -9.0483 -9.0483 -7.5570 -7.5570 -6.8924 -6.8924 -4.9878 -4.9878 -3.9471 -3.9471 -3.8543 -3.8543 1.8183 1.8183 3.9186 3.9186 6.1167 6.1167 6.3275 6.3275 7.6864 7.6864 7.8010 7.8010 8.2211 8.2211 8.6158 8.6158 9.3745 9.3745 14.3689 14.3689 17.4829 17.4829 18.4086 18.4086 18.8315 18.8315 k = 0.2966 0.2966-0.0000 ( 2011 PWs) bands (ev): -22.3836 -22.3836 -9.0828 -9.0828 -7.5249 -7.5249 -6.8654 -6.8654 -4.9917 -4.9917 -3.9512 -3.9512 -3.8552 -3.8552 1.8709 1.8709 3.8988 3.8988 6.0103 6.0103 6.3940 6.3940 7.6823 7.6823 7.8278 7.8278 8.2688 8.2688 8.6200 8.6200 9.3586 9.3586 14.2175 14.2175 17.4143 17.4143 18.2777 18.2777 18.8173 18.8173 k = 0.2881 0.2881-0.0000 ( 2007 PWs) bands (ev): -22.3854 -22.3854 -9.1161 -9.1161 -7.4919 -7.4919 -6.8401 -6.8401 -4.9957 -4.9957 -3.9555 -3.9555 -3.8564 -3.8564 1.9248 1.9248 3.8796 3.8796 5.9038 5.9038 6.4628 6.4628 7.6813 7.6813 7.8553 7.8553 8.3162 8.3162 8.6234 8.6234 9.3437 9.3437 14.0663 14.0663 17.3451 17.3451 18.1477 18.1477 18.7971 18.7971 k = 0.2797 0.2797-0.0000 ( 2007 PWs) bands (ev): -22.3872 -22.3872 -9.1480 -9.1480 -7.4580 -7.4580 -6.8165 -6.8165 -5.0000 -5.0000 -3.9602 -3.9602 -3.8582 -3.8582 1.9799 1.9799 3.8611 3.8611 5.7974 5.7974 6.5340 6.5340 7.6835 7.6835 7.8834 7.8834 8.3631 8.3631 8.6259 8.6259 9.3298 9.3298 13.9154 13.9154 17.2755 17.2755 18.0190 18.0190 18.7714 18.7714 k = 0.2712 0.2712-0.0000 ( 2005 PWs) bands (ev): -22.3891 -22.3891 -9.1787 -9.1787 -7.4232 -7.4232 -6.7943 -6.7943 -5.0045 -5.0045 -3.9651 -3.9651 -3.8604 -3.8604 2.0362 2.0362 3.8433 3.8433 5.6913 5.6913 6.6075 6.6075 7.6890 7.6890 7.9120 7.9120 8.4094 8.4094 8.6276 8.6276 9.3169 9.3169 13.7648 13.7648 17.2054 17.2054 17.8917 17.8917 18.7402 18.7402 k = 0.2627 0.2627-0.0000 ( 1997 PWs) bands (ev): -22.3910 -22.3910 -9.2081 -9.2081 -7.3876 -7.3876 -6.7736 -6.7736 -5.0093 -5.0093 -3.9703 -3.9703 -3.8632 -3.8632 2.0937 2.0937 3.8263 3.8263 5.5859 5.5859 6.6830 6.6830 7.6979 7.6979 7.9411 7.9411 8.4550 8.4550 8.6287 8.6287 9.3051 9.3051 13.6147 13.6147 17.1352 17.1352 17.7659 17.7659 18.7041 18.7041 k = 0.2542 0.2542-0.0000 ( 2003 PWs) bands (ev): -22.3929 -22.3929 -9.2362 -9.2362 -7.3513 -7.3513 -6.7543 -6.7543 -5.0144 -5.0144 -3.9757 -3.9757 -3.8667 -3.8667 2.1522 2.1522 3.8101 3.8101 5.4813 5.4813 6.7606 6.7606 7.7101 7.7101 7.9706 7.9706 8.4996 8.4996 8.6294 8.6294 9.2942 9.2942 13.4651 13.4651 17.0648 17.0648 17.6420 17.6420 18.6634 18.6634 k = 0.2458 0.2458-0.0000 ( 2003 PWs) bands (ev): -22.3948 -22.3948 -9.2630 -9.2630 -7.3143 -7.3143 -6.7361 -6.7361 -5.0198 -5.0198 -3.9815 -3.9815 -3.8709 -3.8709 2.2119 2.2119 3.7946 3.7946 5.3777 5.3777 6.8400 6.8400 7.7257 7.7257 8.0005 8.0005 8.5431 8.5431 8.6298 8.6298 9.2842 9.2842 13.3162 13.3162 16.9944 16.9944 17.5201 17.5201 18.6187 18.6187 k = 0.2373 0.2373-0.0000 ( 2001 PWs) bands (ev): -22.3967 -22.3967 -9.2886 -9.2886 -7.2768 -7.2768 -6.7191 -6.7191 -5.0257 -5.0257 -3.9875 -3.9875 -3.8759 -3.8759 2.2725 2.2725 3.7800 3.7800 5.2754 5.2754 6.9212 6.9212 7.7446 7.7446 8.0306 8.0306 8.5846 8.5846 8.6308 8.6308 9.2751 9.2751 13.1681 13.1681 16.9241 16.9241 17.4003 17.4003 18.5704 18.5704 k = 0.2288 0.2288-0.0000 ( 2005 PWs) bands (ev): -22.3986 -22.3986 -9.3130 -9.3130 -7.2388 -7.2388 -6.7031 -6.7031 -5.0319 -5.0319 -3.9937 -3.9937 -3.8817 -3.8817 2.3340 2.3340 3.7663 3.7663 5.1746 5.1746 7.0041 7.0041 7.7668 7.7668 8.0608 8.0608 8.6169 8.6169 8.6395 8.6395 9.2668 9.2668 13.0207 13.0207 16.8540 16.8540 17.2828 17.2828 18.5192 18.5192 k = 0.2203 0.2203-0.0000 ( 2005 PWs) bands (ev): -22.4005 -22.4005 -9.3362 -9.3362 -7.2003 -7.2003 -6.6880 -6.6880 -5.0385 -5.0385 -4.0002 -4.0002 -3.8884 -3.8884 2.3964 2.3964 3.7533 3.7533 5.0756 5.0756 7.0884 7.0884 7.7922 7.7922 8.0912 8.0912 8.6233 8.6233 8.6728 8.6728 9.2593 9.2593 12.8744 12.8744 16.7842 16.7842 17.1678 17.1678 18.4653 18.4653 k = 0.2119 0.2119-0.0000 ( 2001 PWs) bands (ev): -22.4024 -22.4024 -9.3582 -9.3582 -7.1616 -7.1616 -6.6737 -6.6737 -5.0456 -5.0456 -4.0070 -4.0070 -3.8959 -3.8959 2.4595 2.4595 3.7412 3.7412 4.9785 4.9785 7.1740 7.1740 7.8207 7.8207 8.1215 8.1215 8.6234 8.6234 8.7110 8.7110 9.2525 9.2525 12.7290 12.7290 16.7147 16.7147 17.0555 17.0555 18.4095 18.4095 k = 0.2034 0.2034-0.0000 ( 1999 PWs) bands (ev): -22.4043 -22.4043 -9.3790 -9.3790 -7.1226 -7.1226 -6.6601 -6.6601 -5.0531 -5.0531 -4.0139 -4.0139 -3.9043 -3.9043 2.5232 2.5232 3.7299 3.7299 4.8835 4.8835 7.2607 7.2607 7.8521 7.8521 8.1518 8.1518 8.6226 8.6226 8.7487 8.7487 9.2465 9.2465 12.5849 12.5849 16.6456 16.6456 16.9460 16.9460 18.3521 18.3521 k = 0.1949 0.1949-0.0000 ( 1999 PWs) bands (ev): -22.4062 -22.4062 -9.3987 -9.3987 -7.0834 -7.0834 -6.6471 -6.6471 -5.0611 -5.0611 -4.0210 -4.0210 -3.9136 -3.9136 2.5874 2.5874 3.7194 3.7194 4.7908 4.7908 7.3484 7.3484 7.8864 7.8864 8.1819 8.1819 8.6214 8.6214 8.7853 8.7853 9.2411 9.2411 12.4420 12.4420 16.5771 16.5771 16.8394 16.8394 18.2935 18.2935 k = 0.1864 0.1864-0.0000 ( 2003 PWs) bands (ev): -22.4080 -22.4080 -9.4174 -9.4174 -7.0443 -7.0443 -6.6346 -6.6346 -5.0695 -5.0695 -4.0283 -4.0283 -3.9237 -3.9237 2.6520 2.6520 3.7096 3.7096 4.7007 4.7007 7.4369 7.4369 7.9232 7.9232 8.2117 8.2117 8.6202 8.6202 8.8206 8.8206 9.2363 9.2363 12.3005 12.3005 16.5091 16.5091 16.7359 16.7359 18.2342 18.2342 k = 0.1780 0.1780-0.0000 ( 2003 PWs) bands (ev): -22.4098 -22.4098 -9.4349 -9.4349 -7.0052 -7.0052 -6.6227 -6.6227 -5.0784 -5.0784 -4.0358 -4.0358 -3.9345 -3.9345 2.7167 2.7167 3.7007 3.7007 4.6132 4.6132 7.5258 7.5258 7.9626 7.9626 8.2412 8.2412 8.6189 8.6189 8.8544 8.8544 9.2321 9.2321 12.1605 12.1605 16.4418 16.4418 16.6357 16.6357 18.1745 18.1745 k = 0.1695 0.1695-0.0000 ( 1995 PWs) bands (ev): -22.4115 -22.4115 -9.4514 -9.4514 -6.9664 -6.9664 -6.6111 -6.6111 -5.0877 -5.0877 -4.0433 -4.0433 -3.9461 -3.9461 2.7813 2.7813 3.6924 3.6924 4.5287 4.5287 7.6149 7.6149 8.0043 8.0043 8.2702 8.2702 8.6177 8.6177 8.8868 8.8868 9.2285 9.2285 12.0222 12.0222 16.3753 16.3753 16.5389 16.5389 18.1149 18.1149 k = 0.1610 0.1610-0.0000 ( 1997 PWs) bands (ev): -22.4133 -22.4133 -9.4668 -9.4668 -6.9278 -6.9278 -6.5999 -6.5999 -5.0974 -5.0974 -4.0509 -4.0509 -3.9583 -3.9583 2.8457 2.8457 3.6849 3.6849 4.4472 4.4472 7.7039 7.7039 8.0483 8.0483 8.2986 8.2986 8.6165 8.6165 8.9176 8.9176 9.2254 9.2254 11.8857 11.8857 16.3097 16.3097 16.4456 16.4456 18.0555 18.0555 k = 0.1525 0.1525-0.0000 ( 1997 PWs) bands (ev): -22.4149 -22.4149 -9.4813 -9.4813 -6.8898 -6.8898 -6.5891 -6.5891 -5.1075 -5.1075 -4.0585 -4.0585 -3.9711 -3.9711 2.9096 2.9096 3.6780 3.6780 4.3690 4.3690 7.7923 7.7923 8.0944 8.0944 8.3263 8.3263 8.6154 8.6154 8.9469 8.9469 9.2228 9.2228 11.7511 11.7511 16.2451 16.2451 16.3561 16.3561 17.9967 17.9967 k = 0.1441 0.1441-0.0000 ( 1997 PWs) bands (ev): -22.4165 -22.4165 -9.4948 -9.4948 -6.8523 -6.8523 -6.5785 -6.5785 -5.1179 -5.1179 -4.0661 -4.0661 -3.9842 -3.9842 2.9726 2.9726 3.6718 3.6718 4.2942 4.2942 7.8797 7.8797 8.1429 8.1429 8.3534 8.3534 8.6143 8.6143 8.9746 8.9746 9.2207 9.2207 11.6186 11.6186 16.1816 16.1816 16.2704 16.2704 17.9388 17.9388 k = 0.1356 0.1356-0.0000 ( 2011 PWs) bands (ev): -22.4181 -22.4181 -9.5074 -9.5074 -6.8156 -6.8156 -6.5682 -6.5682 -5.1285 -5.1285 -4.0736 -4.0736 -3.9978 -3.9978 3.0345 3.0345 3.6661 3.6661 4.2229 4.2229 7.9650 7.9650 8.1939 8.1939 8.3795 8.3795 8.6133 8.6133 9.0007 9.0007 9.2191 9.2191 11.4883 11.4883 16.1194 16.1194 16.1887 16.1887 17.8818 17.8818 k = 0.1271 0.1271-0.0000 ( 2011 PWs) bands (ev): -22.4196 -22.4196 -9.5191 -9.5191 -6.7798 -6.7798 -6.5582 -6.5582 -5.1394 -5.1394 -4.0811 -4.0811 -4.0115 -4.0115 3.0950 3.0950 3.6611 3.6611 4.1554 4.1554 8.0472 8.0472 8.2481 8.2481 8.4046 8.4046 8.6125 8.6125 9.0251 9.0251 9.2179 9.2179 11.3603 11.3603 16.0587 16.0587 16.1112 16.1112 17.8259 17.8259 k = 0.1186 0.1186-0.0000 ( 2011 PWs) bands (ev): -22.4210 -22.4210 -9.5298 -9.5298 -6.7450 -6.7450 -6.5485 -6.5485 -5.1504 -5.1504 -4.0883 -4.0883 -4.0252 -4.0252 3.1536 3.1536 3.6567 3.6567 4.0918 4.0918 8.1247 8.1247 8.3066 8.3066 8.4288 8.4288 8.6117 8.6117 9.0479 9.0479 9.2171 9.2171 11.2349 11.2349 15.9997 15.9997 16.0380 16.0380 17.7713 17.7713 k = 0.1102 0.1102-0.0000 ( 2017 PWs) bands (ev): -22.4223 -22.4223 -9.5397 -9.5397 -6.7115 -6.7115 -6.5392 -6.5392 -5.1615 -5.1615 -4.0954 -4.0954 -4.0389 -4.0389 3.2101 3.2101 3.6527 3.6527 4.0323 4.0323 8.1959 8.1959 8.3703 8.3703 8.4517 8.4517 8.6111 8.6111 9.0690 9.0690 9.2168 9.2168 11.1122 11.1122 15.9426 15.9426 15.9691 15.9691 17.7181 17.7181 k = 0.1017 0.1017-0.0000 ( 2017 PWs) bands (ev): -22.4236 -22.4236 -9.5488 -9.5488 -6.6794 -6.6794 -6.5301 -6.5301 -5.1725 -5.1725 -4.1022 -4.1022 -4.0523 -4.0523 3.2639 3.2639 3.6494 3.6494 3.9770 3.9770 8.2597 8.2597 8.4398 8.4398 8.4734 8.4734 8.6106 8.6106 9.0883 9.0883 9.2169 9.2169 10.9923 10.9923 15.8877 15.8877 15.9048 15.9048 17.6662 17.6662 k = 0.0932 0.0932-0.0000 ( 2017 PWs) bands (ev): -22.4247 -22.4247 -9.5571 -9.5571 -6.6489 -6.6489 -6.5215 -6.5215 -5.1834 -5.1834 -4.1087 -4.1087 -4.0654 -4.0654 3.3145 3.3145 3.6466 3.6466 3.9261 3.9261 8.3161 8.3161 8.4937 8.4937 8.5143 8.5143 8.6102 8.6102 9.1058 9.1058 9.2174 9.2174 10.8755 10.8755 15.8353 15.8353 15.8452 15.8452 17.6159 17.6159 k = 0.0847 0.0847-0.0000 ( 2009 PWs) bands (ev): -22.4258 -22.4258 -9.5645 -9.5645 -6.6201 -6.6201 -6.5133 -6.5133 -5.1940 -5.1940 -4.1148 -4.1148 -4.0779 -4.0779 3.3615 3.3615 3.6445 3.6445 3.8798 3.8798 8.3663 8.3663 8.5126 8.5126 8.5914 8.5914 8.6107 8.6107 9.1216 9.1216 9.2184 9.2184 10.7621 10.7621 15.7857 15.7857 15.7904 15.7904 17.5672 17.5672 k = 0.0763 0.0763-0.0000 ( 2013 PWs) bands (ev): -22.4268 -22.4268 -9.5712 -9.5712 -6.5933 -6.5933 -6.5057 -6.5057 -5.2042 -5.2042 -4.1205 -4.1205 -4.0898 -4.0898 3.4042 3.4042 3.6433 3.6433 3.8383 3.8383 8.4110 8.4110 8.5299 8.5299 8.6090 8.6090 8.6725 8.6725 9.1356 9.1356 9.2198 9.2198 10.6523 10.6523 15.7387 15.7387 15.7409 15.7409 17.5204 17.5204 k = 0.0678 0.0678-0.0000 ( 2001 PWs) bands (ev): -22.4277 -22.4277 -9.5771 -9.5771 -6.5687 -6.5687 -6.4986 -6.4986 -5.2138 -5.2138 -4.1257 -4.1257 -4.1009 -4.1009 3.4417 3.4417 3.6431 3.6431 3.8018 3.8018 8.4509 8.4509 8.5457 8.5457 8.6090 8.6090 8.7522 8.7522 9.1478 9.1478 9.2216 9.2216 10.5465 10.5465 15.6946 15.6946 15.6973 15.6973 17.4760 17.4760 k = 0.0593 0.0593-0.0000 ( 2001 PWs) bands (ev): -22.4285 -22.4285 -9.5823 -9.5823 -6.5464 -6.5464 -6.4921 -6.4921 -5.2228 -5.2228 -4.1305 -4.1305 -4.1110 -4.1110 3.4733 3.4733 3.6445 3.6445 3.7705 3.7705 8.4864 8.4864 8.5597 8.5597 8.6090 8.6090 8.8310 8.8310 9.1584 9.1584 9.2239 9.2239 10.4452 10.4452 15.6548 15.6548 15.6582 15.6582 17.4344 17.4344 k = 0.0508 0.0508-0.0000 ( 2001 PWs) bands (ev): -22.4292 -22.4292 -9.5868 -9.5868 -6.5266 -6.5266 -6.4863 -6.4863 -5.2309 -5.2309 -4.1346 -4.1346 -4.1201 -4.1201 3.4979 3.4979 3.6480 3.6480 3.7444 3.7444 8.5174 8.5174 8.5720 8.5720 8.6091 8.6091 8.9073 8.9073 9.1675 9.1675 9.2264 9.2264 10.3493 10.3493 15.6200 15.6200 15.6235 15.6235 17.3964 17.3964 k = 0.0424 0.0424-0.0000 ( 1997 PWs) bands (ev): -22.4298 -22.4298 -9.5906 -9.5906 -6.5095 -6.5095 -6.4813 -6.4813 -5.2381 -5.2381 -4.1382 -4.1382 -4.1280 -4.1280 3.5151 3.5151 3.6538 3.6538 3.7236 3.7236 8.5439 8.5439 8.5823 8.5823 8.6095 8.6095 8.9795 8.9795 9.1757 9.1757 9.2292 9.2292 10.2599 10.2599 15.5904 15.5904 15.5935 15.5935 17.3627 17.3627 k = 0.0339 0.0339-0.0000 ( 1989 PWs) bands (ev): -22.4302 -22.4302 -9.5936 -9.5936 -6.4953 -6.4953 -6.4771 -6.4771 -5.2441 -5.2441 -4.1412 -4.1412 -4.1346 -4.1346 3.5255 3.5255 3.6614 3.6614 3.7077 3.7077 8.5656 8.5656 8.5905 8.5905 8.6104 8.6104 9.0445 9.0445 9.1842 9.1842 9.2318 9.2318 10.1786 10.1786 15.5661 15.5661 15.5684 15.5684 17.3341 17.3341 k = 0.0254 0.0254-0.0000 ( 1993 PWs) bands (ev): -22.4306 -22.4306 -9.5960 -9.5960 -6.4841 -6.4841 -6.4738 -6.4738 -5.2490 -5.2490 -4.1436 -4.1436 -4.1398 -4.1398 3.5306 3.5306 3.6696 3.6696 3.6963 3.6963 8.5823 8.5823 8.5964 8.5964 8.6121 8.6121 9.0977 9.0977 9.1953 9.1953 9.2342 9.2342 10.1081 10.1081 15.5471 15.5471 15.5486 15.5486 17.3111 17.3111 k = 0.0169 0.0169-0.0000 ( 2001 PWs) bands (ev): -22.4309 -22.4309 -9.5977 -9.5977 -6.4760 -6.4760 -6.4714 -6.4714 -5.2526 -5.2526 -4.1453 -4.1453 -4.1436 -4.1436 3.5326 3.5326 3.6767 3.6767 3.6887 3.6887 8.5936 8.5936 8.5998 8.5998 8.6146 8.6146 9.1325 9.1325 9.2119 9.2119 9.2360 9.2360 10.0522 10.0522 15.5336 15.5336 15.5343 15.5343 17.2943 17.2943 k = 0.0085 0.0085-0.0000 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5987 -9.5987 -6.4711 -6.4711 -6.4699 -6.4699 -5.2547 -5.2547 -4.1463 -4.1463 -4.1459 -4.1459 3.5331 3.5331 3.6814 3.6814 3.6844 3.6844 8.5999 8.5999 8.6014 8.6014 8.6172 8.6172 9.1484 9.1484 9.2299 9.2299 9.2372 9.2372 10.0156 10.0156 15.5254 15.5254 15.5256 15.5256 17.2841 17.2841 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5990 -9.5990 -6.4694 -6.4694 -6.4694 -6.4694 -5.2555 -5.2555 -4.1467 -4.1467 -4.1467 -4.1467 3.5331 3.5331 3.6830 3.6830 3.6830 3.6830 8.6019 8.6019 8.6019 8.6019 8.6183 8.6183 9.1526 9.1526 9.2376 9.2376 9.2376 9.2376 10.0027 10.0027 15.5227 15.5227 15.5227 15.5227 17.2806 17.2806 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5990 -9.5990 -6.4694 -6.4694 -6.4694 -6.4694 -5.2555 -5.2555 -4.1467 -4.1467 -4.1467 -4.1467 3.5331 3.5331 3.6830 3.6830 3.6830 3.6830 8.6019 8.6019 8.6019 8.6019 8.6183 8.6183 9.1526 9.1526 9.2376 9.2376 9.2376 9.2376 10.0027 10.0027 15.5227 15.5227 15.5227 15.5227 17.2806 17.2806 k = 0.0069 0.0069 0.0069 ( 2007 PWs) bands (ev): -22.4311 -22.4311 -9.5987 -9.5987 -6.4706 -6.4706 -6.4704 -6.4704 -5.2547 -5.2547 -4.1462 -4.1462 -4.1460 -4.1460 3.5331 3.5331 3.6812 3.6812 3.6847 3.6847 8.5998 8.5998 8.6014 8.6014 8.6172 8.6172 9.1483 9.1483 9.2297 9.2297 9.2373 9.2373 10.0156 10.0156 15.5255 15.5255 15.5255 15.5255 17.2841 17.2841 k = 0.0139 0.0139 0.0139 ( 2001 PWs) bands (ev): -22.4309 -22.4309 -9.5977 -9.5977 -6.4741 -6.4741 -6.4733 -6.4733 -5.2525 -5.2525 -4.1449 -4.1449 -4.1440 -4.1440 3.5324 3.5324 3.6761 3.6761 3.6895 3.6895 8.5937 8.5937 8.5990 8.5990 8.6152 8.6152 9.1319 9.1319 9.2118 9.2118 9.2365 9.2365 10.0525 10.0525 15.5339 15.5339 15.5341 15.5341 17.2944 17.2944 k = 0.0208 0.0208 0.0208 ( 1995 PWs) bands (ev): -22.4306 -22.4306 -9.5960 -9.5960 -6.4799 -6.4799 -6.4781 -6.4781 -5.2489 -5.2489 -4.1426 -4.1426 -4.1408 -4.1408 3.5296 3.5296 3.6694 3.6694 3.6975 3.6975 8.5837 8.5837 8.5917 8.5917 8.6151 8.6151 9.0957 9.0957 9.1960 9.1960 9.2351 9.2351 10.1086 10.1086 15.5479 15.5479 15.5482 15.5482 17.3111 17.3111 k = 0.0278 0.0278 0.0278 ( 1989 PWs) bands (ev): -22.4302 -22.4302 -9.5936 -9.5936 -6.4880 -6.4880 -6.4847 -6.4847 -5.2440 -5.2440 -4.1395 -4.1395 -4.1362 -4.1362 3.5216 3.5216 3.6643 3.6643 3.7088 3.7088 8.5697 8.5697 8.5789 8.5789 8.6176 8.6176 9.0403 9.0403 9.1867 9.1867 9.2332 9.2332 10.1791 10.1791 15.5673 15.5673 15.5678 15.5678 17.3339 17.3339 k = 0.0347 0.0347 0.0347 ( 2001 PWs) bands (ev): -22.4298 -22.4298 -9.5905 -9.5905 -6.4982 -6.4982 -6.4932 -6.4932 -5.2378 -5.2378 -4.1356 -4.1356 -4.1304 -4.1304 3.5054 3.5054 3.6641 3.6641 3.7232 3.7232 8.5518 8.5518 8.5615 8.5615 8.6218 8.6218 8.9726 8.9726 9.1807 9.1807 9.2309 9.2309 10.2601 10.2601 15.5919 15.5919 15.5927 15.5927 17.3620 17.3620 k = 0.0417 0.0417 0.0417 ( 2001 PWs) bands (ev): -22.4292 -22.4292 -9.5866 -9.5866 -6.5104 -6.5104 -6.5035 -6.5035 -5.2305 -5.2305 -4.1310 -4.1310 -4.1235 -4.1235 3.4791 3.4791 3.6708 3.6708 3.7408 3.7408 8.5303 8.5303 8.5402 8.5402 8.6273 8.6273 8.8973 8.8973 9.1761 9.1761 9.2281 9.2281 10.3490 10.3490 15.6215 15.6215 15.6227 15.6227 17.3945 17.3945 k = 0.0486 0.0486 0.0486 ( 2007 PWs) bands (ev): -22.4285 -22.4285 -9.5821 -9.5821 -6.5245 -6.5245 -6.5154 -6.5154 -5.2221 -5.2221 -4.1257 -4.1257 -4.1154 -4.1154 3.4431 3.4431 3.6843 3.6843 3.7616 3.7616 8.5053 8.5053 8.5151 8.5151 8.6340 8.6340 8.8171 8.8171 9.1719 9.1719 9.2250 9.2250 10.4441 10.4441 15.6560 15.6560 15.6576 15.6576 17.4302 17.4302 k = 0.0556 0.0556 0.0556 ( 2007 PWs) bands (ev): -22.4276 -22.4276 -9.5768 -9.5768 -6.5405 -6.5405 -6.5289 -6.5289 -5.2127 -5.2127 -4.1199 -4.1199 -4.1063 -4.1063 3.3988 3.3988 3.7037 3.7037 3.7856 3.7856 8.4769 8.4769 8.4867 8.4867 8.6419 8.6419 8.7334 8.7334 9.1679 9.1679 9.2215 9.2215 10.5440 10.5440 15.6950 15.6950 15.6971 15.6971 17.4681 17.4681 k = 0.0625 0.0625 0.0625 ( 2013 PWs) bands (ev): -22.4267 -22.4267 -9.5707 -9.5707 -6.5580 -6.5580 -6.5439 -6.5439 -5.2026 -5.2026 -4.1135 -4.1135 -4.0963 -4.0963 3.3473 3.3473 3.7280 3.7280 3.8127 3.8127 8.4455 8.4455 8.4550 8.4550 8.6467 8.6467 8.6513 8.6513 9.1639 9.1639 9.2178 9.2178 10.6481 10.6481 15.7382 15.7382 15.7410 15.7410 17.5071 17.5071 k = 0.0694 0.0694 0.0694 ( 2013 PWs) bands (ev): -22.4257 -22.4257 -9.5637 -9.5637 -6.5771 -6.5771 -6.5604 -6.5604 -5.1919 -5.1919 -4.1068 -4.1068 -4.0853 -4.0853 3.2897 3.2897 3.7567 3.7567 3.8430 3.8430 8.4113 8.4113 8.4203 8.4203 8.5592 8.5592 8.6608 8.6608 9.1599 9.1599 9.2139 9.2139 10.7557 10.7557 15.7855 15.7855 15.7888 15.7888 17.5466 17.5466 k = 0.0764 0.0764 0.0764 ( 2013 PWs) bands (ev): -22.4246 -22.4246 -9.5560 -9.5560 -6.5975 -6.5975 -6.5781 -6.5781 -5.1806 -5.1806 -4.0998 -4.0998 -4.0736 -4.0736 3.2267 3.2267 3.7892 3.7892 3.8763 3.8763 8.3745 8.3745 8.3828 8.3828 8.4698 8.4698 8.6717 8.6717 9.1559 9.1559 9.2099 9.2099 10.8664 10.8664 15.8364 15.8364 15.8404 15.8404 17.5861 17.5861 k = 0.0833 0.0833 0.0833 ( 2013 PWs) bands (ev): -22.4234 -22.4234 -9.5474 -9.5474 -6.6191 -6.6191 -6.5971 -6.5971 -5.1690 -5.1690 -4.0926 -4.0926 -4.0613 -4.0613 3.1589 3.1589 3.8253 3.8253 3.9127 3.9127 8.3354 8.3354 8.3424 8.3424 8.3799 8.3799 8.6837 8.6837 9.1519 9.1519 9.2057 9.2057 10.9799 10.9799 15.8906 15.8906 15.8955 15.8955 17.6256 17.6256 k = 0.0903 0.0903 0.0903 ( 2010 PWs) bands (ev): -22.4221 -22.4221 -9.5378 -9.5378 -6.6418 -6.6418 -6.6172 -6.6172 -5.1572 -5.1572 -4.0853 -4.0853 -4.0483 -4.0483 3.0869 3.0869 3.8649 3.8649 3.9522 3.9522 8.2841 8.2841 8.2943 8.2943 8.3049 8.3049 8.6966 8.6966 9.1480 9.1480 9.2014 9.2014 11.0958 11.0958 15.9479 15.9479 15.9536 15.9536 17.6649 17.6649 k = 0.0972 0.0972 0.0972 ( 2010 PWs) bands (ev): -22.4208 -22.4208 -9.5274 -9.5274 -6.6654 -6.6654 -6.6383 -6.6383 -5.1452 -5.1452 -4.0781 -4.0781 -4.0349 -4.0349 3.0112 3.0112 3.9078 3.9078 3.9947 3.9947 8.1941 8.1941 8.2514 8.2514 8.2592 8.2592 8.7105 8.7105 9.1441 9.1441 9.1972 9.1972 11.2139 11.2139 16.0079 16.0079 16.0146 16.0146 17.7043 17.7043 k = 0.1042 0.1042 0.1042 ( 2004 PWs) bands (ev): -22.4193 -22.4193 -9.5160 -9.5160 -6.6898 -6.6898 -6.6602 -6.6602 -5.1334 -5.1334 -4.0709 -4.0709 -4.0212 -4.0212 2.9321 2.9321 3.9539 3.9539 4.0401 4.0401 8.1020 8.1020 8.2070 8.2070 8.2137 8.2137 8.7254 8.7254 9.1402 9.1402 9.1929 9.1929 11.3339 11.3339 16.0705 16.0705 16.0781 16.0781 17.7437 17.7437 k = 0.1111 0.1111 0.1111 ( 2004 PWs) bands (ev): -22.4178 -22.4178 -9.5036 -9.5036 -6.7148 -6.7148 -6.6830 -6.6830 -5.1217 -5.1217 -4.0640 -4.0640 -4.0072 -4.0072 2.8501 2.8501 4.0031 4.0031 4.0885 4.0885 8.0096 8.0096 8.1615 8.1615 8.1671 8.1671 8.7411 8.7411 9.1365 9.1365 9.1887 9.1887 11.4558 11.4558 16.1352 16.1352 16.1439 16.1439 17.7833 17.7833 k = 0.1181 0.1181 0.1181 ( 2004 PWs) bands (ev): -22.4162 -22.4162 -9.4902 -9.4902 -6.7405 -6.7405 -6.7065 -6.7065 -5.1102 -5.1102 -4.0575 -4.0575 -3.9931 -3.9931 2.7655 2.7655 4.0554 4.0554 4.1398 4.1398 7.9174 7.9174 8.1150 8.1150 8.1196 8.1196 8.7578 8.7578 9.1329 9.1329 9.1845 9.1845 11.5792 11.5792 16.2019 16.2019 16.2117 16.2117 17.8230 17.8230 k = 0.1250 0.1250 0.1250 ( 2004 PWs) bands (ev): -22.4145 -22.4145 -9.4757 -9.4757 -6.7665 -6.7665 -6.7305 -6.7305 -5.0992 -5.0992 -4.0513 -4.0513 -3.9791 -3.9791 2.6786 2.6786 4.1107 4.1107 4.1940 4.1940 7.8255 7.8255 8.0678 8.0678 8.0712 8.0712 8.7753 8.7753 9.1295 9.1295 9.1805 9.1805 11.7041 11.7041 16.2703 16.2703 16.2813 16.2813 17.8627 17.8627 k = 0.1319 0.1319 0.1319 ( 1998 PWs) bands (ev): -22.4127 -22.4127 -9.4601 -9.4601 -6.7929 -6.7929 -6.7550 -6.7550 -5.0887 -5.0887 -4.0457 -4.0457 -3.9652 -3.9652 2.5898 2.5898 4.1689 4.1689 4.2509 4.2509 7.7343 7.7343 8.0202 8.0202 8.0224 8.0224 8.7937 8.7937 9.1264 9.1264 9.1766 9.1766 11.8303 11.8303 16.3403 16.3403 16.3525 16.3525 17.9023 17.9023 k = 0.1389 0.1389 0.1389 ( 1986 PWs) bands (ev): -22.4109 -22.4109 -9.4433 -9.4433 -6.8196 -6.8196 -6.7800 -6.7800 -5.0788 -5.0788 -4.0406 -4.0406 -3.9515 -3.9515 2.4992 2.4992 4.2299 4.2299 4.3106 4.3106 7.6440 7.6440 7.9724 7.9724 7.9733 7.9733 8.8129 8.8129 9.1234 9.1234 9.1729 9.1729 11.9575 11.9575 16.4116 16.4116 16.4250 16.4250 17.9417 17.9417 k = 0.1458 0.1458 0.1458 ( 1992 PWs) bands (ev): -22.4091 -22.4091 -9.4254 -9.4254 -6.8463 -6.8463 -6.8052 -6.8052 -5.0697 -5.0697 -4.0363 -4.0363 -3.9382 -3.9382 2.4072 2.4072 4.2937 4.2937 4.3730 4.3730 7.5549 7.5549 7.9241 7.9241 7.9246 7.9246 8.8329 8.8329 9.1208 9.1208 9.1695 9.1695 12.0858 12.0858 16.4840 16.4840 16.4987 16.4987 17.9806 17.9806 k = 0.1528 0.1528 0.1528 ( 1992 PWs) bands (ev): -22.4072 -22.4072 -9.4064 -9.4064 -6.8732 -6.8732 -6.8307 -6.8307 -5.0613 -5.0613 -4.0326 -4.0326 -3.9255 -3.9255 2.3140 2.3140 4.3602 4.3602 4.4380 4.4380 7.4672 7.4672 7.8750 7.8750 7.8770 7.8770 8.8536 8.8536 9.1185 9.1185 9.1664 9.1664 12.2148 12.2148 16.5573 16.5573 16.5735 16.5735 18.0189 18.0189 k = 0.1597 0.1597 0.1597 ( 1992 PWs) bands (ev): -22.4052 -22.4052 -9.3861 -9.3861 -6.9000 -6.9000 -6.8563 -6.8563 -5.0538 -5.0538 -4.0297 -4.0297 -3.9133 -3.9133 2.2197 2.2197 4.4293 4.4293 4.5056 4.5056 7.3813 7.3813 7.8262 7.8262 7.8298 7.8298 8.8750 8.8750 9.1165 9.1165 9.1635 9.1635 12.3446 12.3446 16.6315 16.6315 16.6490 16.6490 18.0563 18.0563 k = 0.1667 0.1667 0.1667 ( 1980 PWs) bands (ev): -22.4032 -22.4032 -9.3645 -9.3645 -6.9267 -6.9267 -6.8819 -6.8819 -5.0472 -5.0472 -4.0276 -4.0276 -3.9019 -3.9019 2.1246 2.1246 4.5010 4.5010 4.5757 4.5757 7.2973 7.2973 7.7779 7.7779 7.7832 7.7832 8.8972 8.8972 9.1149 9.1149 9.1611 9.1611 12.4751 12.4751 16.7062 16.7062 16.7252 16.7252 18.0926 18.0926 k = 0.1736 0.1736 0.1736 ( 1992 PWs) bands (ev): -22.4011 -22.4011 -9.3417 -9.3417 -6.9533 -6.9533 -6.9076 -6.9076 -5.0416 -5.0416 -4.0264 -4.0264 -3.8914 -3.8914 2.0287 2.0287 4.5751 4.5751 4.6482 4.6482 7.2156 7.2156 7.7302 7.7302 7.7373 7.7373 8.9200 8.9200 9.1138 9.1138 9.1590 9.1590 12.6059 12.6059 16.7814 16.7814 16.8018 16.8018 18.1275 18.1275 k = 0.1806 0.1806 0.1806 ( 1992 PWs) bands (ev): -22.3991 -22.3991 -9.3176 -9.3176 -6.9796 -6.9796 -6.9331 -6.9331 -5.0371 -5.0371 -4.0262 -4.0262 -3.8819 -3.8819 1.9323 1.9323 4.6515 4.6515 4.7230 4.7230 7.1364 7.1364 7.6832 7.6832 7.6923 7.6923 8.9434 8.9434 9.1132 9.1132 9.1574 9.1574 12.7372 12.7372 16.8569 16.8569 16.8788 16.8788 18.1607 18.1607 k = 0.1875 0.1875 0.1875 ( 1992 PWs) bands (ev): -22.3969 -22.3969 -9.2922 -9.2922 -7.0057 -7.0057 -6.9586 -6.9586 -5.0336 -5.0336 -4.0268 -4.0268 -3.8734 -3.8734 1.8354 1.8354 4.7303 4.7303 4.8001 4.8001 7.0600 7.0600 7.6372 7.6372 7.6482 7.6482 8.9675 8.9675 9.1131 9.1131 9.1563 9.1563 12.8688 12.8688 16.9325 16.9325 16.9559 16.9559 18.1919 18.1919 k = 0.1944 0.1944 0.1944 ( 1989 PWs) bands (ev): -22.3948 -22.3948 -9.2655 -9.2655 -7.0314 -7.0314 -6.9838 -6.9838 -5.0313 -5.0313 -4.0285 -4.0285 -3.8660 -3.8660 1.7381 1.7381 4.8112 4.8112 4.8793 4.8793 6.9866 6.9866 7.5922 7.5922 7.6052 7.6052 8.9920 8.9920 9.1135 9.1135 9.1557 9.1557 13.0005 13.0005 17.0079 17.0079 17.0329 17.0329 18.2210 18.2210 k = 0.2014 0.2014 0.2014 ( 2007 PWs) bands (ev): -22.3927 -22.3927 -9.2374 -9.2374 -7.0567 -7.0567 -7.0088 -7.0088 -5.0301 -5.0301 -4.0311 -4.0311 -3.8600 -3.8600 1.6406 1.6406 4.8942 4.8942 4.9606 4.9606 6.9165 6.9165 7.5483 7.5483 7.5635 7.5635 9.0170 9.0170 9.1146 9.1146 9.1557 9.1557 13.1324 13.1324 17.0830 17.0830 17.1096 17.1096 18.2477 18.2477 k = 0.2083 0.2083 0.2083 ( 2007 PWs) bands (ev): -22.3905 -22.3905 -9.2079 -9.2079 -7.0816 -7.0816 -7.0335 -7.0335 -5.0301 -5.0301 -4.0347 -4.0347 -3.8553 -3.8553 1.5428 1.5428 4.9791 4.9791 5.0438 5.0438 6.8498 6.8498 7.5057 7.5057 7.5230 7.5230 9.0425 9.0425 9.1163 9.1163 9.1564 9.1564 13.2642 13.2642 17.1575 17.1575 17.1857 17.1857 18.2716 18.2716 k = 0.2153 0.2153 0.2153 ( 2019 PWs) bands (ev): -22.3883 -22.3883 -9.1771 -9.1771 -7.1060 -7.1060 -7.0578 -7.0578 -5.0313 -5.0313 -4.0392 -4.0392 -3.8520 -3.8520 1.4448 1.4448 5.0659 5.0659 5.1289 5.1289 6.7868 6.7868 7.4643 7.4643 7.4839 7.4839 9.0684 9.0684 9.1188 9.1188 9.1577 9.1577 13.3959 13.3959 17.2310 17.2310 17.2608 17.2608 18.2928 18.2928 k = 0.2222 0.2222 0.2222 ( 2007 PWs) bands (ev): -22.3861 -22.3861 -9.1449 -9.1449 -7.1299 -7.1299 -7.0817 -7.0817 -5.0336 -5.0336 -4.0447 -4.0447 -3.8502 -3.8502 1.3467 1.3467 5.1544 5.1544 5.2157 5.2157 6.7277 6.7277 7.4243 7.4243 7.4462 7.4462 9.0946 9.0946 9.1222 9.1222 9.1598 9.1598 13.5274 13.5274 17.3032 17.3032 17.3347 17.3347 18.3109 18.3109 k = 0.2292 0.2292 0.2292 ( 2010 PWs) bands (ev): -22.3839 -22.3839 -9.1114 -9.1114 -7.1532 -7.1532 -7.1052 -7.1052 -5.0371 -5.0371 -4.0512 -4.0512 -3.8500 -3.8500 1.2486 1.2486 5.2446 5.2446 5.3041 5.3041 6.6727 6.6727 7.3857 7.3857 7.4101 7.4101 9.1198 9.1198 9.1275 9.1275 9.1626 9.1626 13.6585 13.6585 17.3737 17.3737 17.4067 17.4067 18.3259 18.3259 k = 0.2361 0.2361 0.2361 ( 2010 PWs) bands (ev): -22.3818 -22.3818 -9.0765 -9.0765 -7.1760 -7.1760 -7.1282 -7.1282 -5.0417 -5.0417 -4.0586 -4.0586 -3.8513 -3.8513 1.1504 1.1504 5.3361 5.3361 5.3940 5.3940 6.6218 6.6218 7.3487 7.3487 7.3754 7.3754 9.1299 9.1299 9.1492 9.1492 9.1663 9.1663 13.7891 13.7891 17.4418 17.4418 17.4764 17.4764 18.3376 18.3376 k = 0.2431 0.2431 0.2431 ( 2019 PWs) bands (ev): -22.3796 -22.3796 -9.0402 -9.0402 -7.1981 -7.1981 -7.1507 -7.1507 -5.0475 -5.0475 -4.0670 -4.0670 -3.8542 -3.8542 1.0522 1.0522 5.4290 5.4290 5.4851 5.4851 6.5753 6.5753 7.3131 7.3131 7.3423 7.3423 9.1358 9.1358 9.1708 9.1708 9.1761 9.1761 13.9191 13.9191 17.5070 17.5070 17.5430 17.5430 18.3462 18.3462 k = 0.2500 0.2500 0.2500 ( 2022 PWs) bands (ev): -22.3774 -22.3774 -9.0027 -9.0027 -7.2196 -7.2196 -7.1727 -7.1727 -5.0544 -5.0544 -4.0761 -4.0761 -3.8588 -3.8588 0.9541 0.9541 5.5230 5.5230 5.5774 5.5774 6.5331 6.5331 7.2791 7.2791 7.3109 7.3109 9.1424 9.1424 9.1762 9.1762 9.2034 9.2034 14.0483 14.0483 17.5685 17.5685 17.6058 17.6058 18.3517 18.3517 k = 0.2569 0.2569 0.2569 ( 2022 PWs) bands (ev): -22.3753 -22.3753 -8.9638 -8.9638 -7.2405 -7.2405 -7.1940 -7.1940 -5.0624 -5.0624 -4.0862 -4.0862 -3.8650 -3.8650 0.8562 0.8562 5.6180 5.6180 5.6707 5.6707 6.4955 6.4955 7.2467 7.2467 7.2810 7.2810 9.1499 9.1499 9.1826 9.1826 9.2309 9.2309 14.1766 14.1766 17.6253 17.6253 17.6636 17.6636 18.3541 18.3541 k = 0.2639 0.2639 0.2639 ( 2022 PWs) bands (ev): -22.3731 -22.3731 -8.9236 -8.9236 -7.2607 -7.2607 -7.2149 -7.2149 -5.0714 -5.0714 -4.0970 -4.0970 -3.8729 -3.8729 0.7584 0.7584 5.7138 5.7138 5.7647 5.7647 6.4624 6.4624 7.2161 7.2161 7.2529 7.2529 9.1584 9.1584 9.1900 9.1900 9.2586 9.2586 14.3037 14.3037 17.6764 17.6764 17.7153 17.7153 18.3538 18.3538 k = 0.2708 0.2708 0.2708 ( 2022 PWs) bands (ev): -22.3710 -22.3710 -8.8821 -8.8821 -7.2801 -7.2801 -7.2351 -7.2351 -5.0814 -5.0814 -4.1085 -4.1085 -3.8824 -3.8824 0.6608 0.6608 5.8101 5.8101 5.8593 5.8593 6.4338 6.4338 7.1871 7.1871 7.2264 7.2264 9.1678 9.1678 9.1984 9.1984 9.2862 9.2862 14.4294 14.4294 17.7205 17.7205 17.7593 17.7593 18.3510 18.3510 k = 0.2778 0.2778 0.2778 ( 2022 PWs) bands (ev): -22.3690 -22.3690 -8.8395 -8.8395 -7.2989 -7.2989 -7.2546 -7.2546 -5.0924 -5.0924 -4.1208 -4.1208 -3.8934 -3.8934 0.5635 0.5635 5.9067 5.9067 5.9543 5.9543 6.4098 6.4098 7.1599 7.1599 7.2017 7.2017 9.1784 9.1784 9.2079 9.2079 9.3139 9.3139 14.5535 14.5535 17.7563 17.7563 17.7942 17.7942 18.3461 18.3461 k = 0.2847 0.2847 0.2847 ( 2028 PWs) bands (ev): -22.3669 -22.3669 -8.7956 -8.7956 -7.3170 -7.3170 -7.2736 -7.2736 -5.1042 -5.1042 -4.1336 -4.1336 -3.9061 -3.9061 0.4666 0.4666 6.0033 6.0033 6.0493 6.0493 6.3902 6.3902 7.1346 7.1346 7.1789 7.1789 9.1900 9.1900 9.2185 9.2185 9.3414 9.3414 14.6755 14.6755 17.7824 17.7824 17.8184 17.8184 18.3397 18.3397 k = 0.2917 0.2917 0.2917 ( 2022 PWs) bands (ev): -22.3649 -22.3649 -8.7506 -8.7506 -7.3344 -7.3344 -7.2919 -7.2919 -5.1169 -5.1169 -4.1471 -4.1471 -3.9202 -3.9202 0.3702 0.3702 6.0995 6.0995 6.1441 6.1441 6.3751 6.3751 7.1112 7.1112 7.1579 7.1579 9.2028 9.2028 9.2303 9.2303 9.3689 9.3689 14.7953 14.7953 17.7975 17.7975 17.8303 17.8303 18.3322 18.3322 k = 0.2986 0.2986 0.2986 ( 2016 PWs) bands (ev): -22.3629 -22.3629 -8.7046 -8.7046 -7.3510 -7.3510 -7.3095 -7.3095 -5.1305 -5.1305 -4.1610 -4.1610 -3.9358 -3.9358 0.2744 0.2744 6.1949 6.1949 6.2382 6.2382 6.3645 6.3645 7.0901 7.0901 7.1391 7.1391 9.2167 9.2167 9.2433 9.2433 9.3962 9.3962 14.9123 14.9123 17.8005 17.8005 17.8288 17.8288 18.3243 18.3243 k = 0.3056 0.3056 0.3056 ( 2016 PWs) bands (ev): -22.3610 -22.3610 -8.6575 -8.6575 -7.3670 -7.3670 -7.3264 -7.3264 -5.1447 -5.1447 -4.1754 -4.1754 -3.9527 -3.9527 0.1793 0.1793 6.2879 6.2879 6.3312 6.3312 6.3589 6.3589 7.0716 7.0716 7.1225 7.1225 9.2318 9.2318 9.2575 9.2575 9.4233 9.4233 15.0262 15.0262 17.7908 17.7908 17.8134 17.8134 18.3168 18.3168 k = 0.3125 0.3125 0.3125 ( 2028 PWs) bands (ev): -22.3591 -22.3591 -8.6095 -8.6095 -7.3822 -7.3822 -7.3427 -7.3427 -5.1597 -5.1597 -4.1902 -4.1902 -3.9709 -3.9709 0.0850 0.0850 6.3491 6.3491 6.3871 6.3871 6.4224 6.4224 7.0560 7.0560 7.1087 7.1087 9.2480 9.2480 9.2729 9.2729 9.4500 9.4500 15.1364 15.1364 17.7682 17.7682 17.7842 17.7842 18.3102 18.3102 k = 0.3194 0.3194 0.3194 ( 2022 PWs) bands (ev): -22.3573 -22.3573 -8.5606 -8.5606 -7.3966 -7.3966 -7.3583 -7.3583 -5.1752 -5.1752 -4.2052 -4.2052 -3.9904 -3.9904 -0.0083 -0.0083 6.3532 6.3532 6.4730 6.4730 6.5108 6.5108 7.0442 7.0442 7.0983 7.0983 9.2656 9.2656 9.2896 9.2896 9.4764 9.4764 15.2425 15.2425 17.7333 17.7333 17.7421 17.7421 18.3057 18.3057 k = 0.3264 0.3264 0.3264 ( 2028 PWs) bands (ev): -22.3555 -22.3555 -8.5109 -8.5109 -7.4104 -7.4104 -7.3733 -7.3733 -5.1913 -5.1913 -4.2205 -4.2205 -4.0109 -4.0109 -0.1005 -0.1005 6.3581 6.3581 6.5568 6.5568 6.5951 6.5951 7.0378 7.0378 7.0924 7.0924 9.2844 9.2844 9.3076 9.3076 9.5025 9.5025 15.3438 15.3438 17.6870 17.6870 17.6883 17.6883 18.3038 18.3038 k = 0.3333 0.3333 0.3333 ( 2016 PWs) bands (ev): -22.3537 -22.3537 -8.4606 -8.4606 -7.4235 -7.4235 -7.3875 -7.3875 -5.2079 -5.2079 -4.2360 -4.2360 -4.0325 -4.0325 -0.1914 -0.1914 6.3659 6.3659 6.6334 6.6334 6.6730 6.6730 7.0391 7.0391 7.0929 7.0929 9.3045 9.3045 9.3269 9.3269 9.5280 9.5280 15.4397 15.4397 17.6243 17.6243 17.6304 17.6304 18.3056 18.3056 k = 0.3403 0.3403 0.3403 ( 2016 PWs) bands (ev): -22.3520 -22.3520 -8.4098 -8.4098 -7.4358 -7.4358 -7.4011 -7.4011 -5.2249 -5.2249 -4.2515 -4.2515 -4.0550 -4.0550 -0.2807 -0.2807 6.3766 6.3766 6.6986 6.6986 6.7413 6.7413 7.0518 7.0518 7.1027 7.1027 9.3258 9.3258 9.3476 9.3476 9.5531 9.5531 15.5297 15.5297 17.5518 17.5518 17.5651 17.5651 18.3120 18.3120 k = 0.3472 0.3472 0.3472 ( 2016 PWs) bands (ev): -22.3504 -22.3504 -8.3585 -8.3585 -7.4474 -7.4474 -7.4139 -7.4139 -5.2423 -5.2423 -4.2671 -4.2671 -4.0782 -4.0782 -0.3684 -0.3684 6.3901 6.3901 6.7479 6.7479 6.7959 6.7959 7.0799 7.0799 7.1257 7.1257 9.3484 9.3484 9.3695 9.3695 9.5776 9.5776 15.6130 15.6130 17.4723 17.4723 17.4924 17.4924 18.3237 18.3237 k = 0.3542 0.3542 0.3542 ( 2016 PWs) bands (ev): -22.3488 -22.3488 -8.3069 -8.3069 -7.4584 -7.4584 -7.4261 -7.4261 -5.2599 -5.2599 -4.2826 -4.2826 -4.1021 -4.1021 -0.4543 -0.4543 6.4059 6.4059 6.7797 6.7797 6.8340 6.8340 7.1248 7.1248 7.1641 7.1641 9.3723 9.3723 9.3928 9.3928 9.6015 9.6015 15.6892 15.6892 17.3874 17.3874 17.4138 17.4138 18.3416 18.3416 k = 0.3611 0.3611 0.3611 ( 2010 PWs) bands (ev): -22.3473 -22.3473 -8.2552 -8.2552 -7.4687 -7.4687 -7.4377 -7.4377 -5.2778 -5.2778 -4.2979 -4.2979 -4.1265 -4.1265 -0.5380 -0.5380 6.4238 6.4238 6.7968 6.7968 6.8570 6.8570 7.1833 7.1833 7.2166 7.2166 9.3974 9.3974 9.4173 9.4173 9.6246 9.6246 15.7578 15.7578 17.2984 17.2984 17.3306 17.3306 18.3664 18.3664 k = 0.3681 0.3681 0.3681 ( 2010 PWs) bands (ev): -22.3459 -22.3459 -8.2035 -8.2035 -7.4783 -7.4783 -7.4486 -7.4486 -5.2958 -5.2958 -4.3131 -4.3131 -4.1513 -4.1513 -0.6195 -0.6195 6.4434 6.4434 6.8043 6.8043 6.8688 6.8688 7.2500 7.2500 7.2785 7.2785 9.4236 9.4236 9.4430 9.4430 9.6471 9.6471 15.8185 15.8185 17.2065 17.2065 17.2440 17.2440 18.3984 18.3984 k = 0.3750 0.3750 0.3750 ( 2010 PWs) bands (ev): -22.3445 -22.3445 -8.1519 -8.1519 -7.4873 -7.4873 -7.4588 -7.4588 -5.3139 -5.3139 -4.3279 -4.3279 -4.1764 -4.1764 -0.6985 -0.6985 6.4645 6.4645 6.8062 6.8062 6.8738 6.8738 7.3206 7.3206 7.3453 7.3453 9.4510 9.4510 9.4699 9.4699 9.6688 9.6688 15.8711 15.8711 17.1129 17.1129 17.1552 17.1552 18.4381 18.4381 k = 0.3819 0.3819 0.3819 ( 2010 PWs) bands (ev): -22.3432 -22.3432 -8.1008 -8.1008 -7.4957 -7.4957 -7.4684 -7.4684 -5.3319 -5.3319 -4.3425 -4.3425 -4.2016 -4.2016 -0.7747 -0.7747 6.4866 6.4866 6.8052 6.8052 6.8748 6.8748 7.3923 7.3923 7.4138 7.4138 9.4794 9.4794 9.4979 9.4979 9.6896 9.6896 15.9157 15.9157 17.0185 17.0185 17.0651 17.0651 18.4856 18.4856 k = 0.3889 0.3889 0.3889 ( 2004 PWs) bands (ev): -22.3420 -22.3420 -8.0503 -8.0503 -7.5035 -7.5035 -7.4774 -7.4774 -5.3499 -5.3499 -4.3566 -4.3566 -4.2268 -4.2268 -0.8480 -0.8480 6.5094 6.5094 6.8026 6.8026 6.8736 6.8736 7.4632 7.4632 7.4820 7.4820 9.5087 9.5087 9.5268 9.5268 9.7096 9.7096 15.9525 15.9525 16.9243 16.9243 16.9748 16.9748 18.5407 18.5407 k = 0.3958 0.3958 0.3958 ( 2004 PWs) bands (ev): -22.3408 -22.3408 -8.0006 -8.0006 -7.5106 -7.5106 -7.4858 -7.4858 -5.3677 -5.3677 -4.3702 -4.3702 -4.2517 -4.2517 -0.9182 -0.9182 6.5324 6.5324 6.7996 6.7996 6.8711 6.8711 7.5321 7.5321 7.5486 7.5486 9.5387 9.5387 9.5564 9.5564 9.7286 9.7286 15.9819 15.9819 16.8312 16.8312 16.8851 16.8851 18.6030 18.6030 k = 0.4028 0.4028 0.4028 ( 2004 PWs) bands (ev): -22.3397 -22.3397 -7.9520 -7.9520 -7.5172 -7.5172 -7.4935 -7.4935 -5.3853 -5.3853 -4.3832 -4.3832 -4.2762 -4.2762 -0.9850 -0.9850 6.5553 6.5553 6.7966 6.7966 6.8680 6.8680 7.5982 7.5982 7.6126 7.6126 9.5693 9.5693 9.5866 9.5866 9.7466 9.7466 16.0045 16.0045 16.7399 16.7399 16.7969 16.7969 18.6721 18.6721 k = 0.4097 0.4097 0.4097 ( 2004 PWs) bands (ev): -22.3386 -22.3386 -7.9047 -7.9047 -7.5232 -7.5232 -7.5007 -7.5007 -5.4025 -5.4025 -4.3957 -4.3957 -4.3002 -4.3002 -1.0483 -1.0483 6.5775 6.5775 6.7941 6.7941 6.8646 6.8646 7.6610 7.6610 7.6734 7.6734 9.6002 9.6002 9.6171 9.6171 9.7636 9.7636 16.0210 16.0210 16.6514 16.6514 16.7108 16.7108 18.7473 18.7473 k = 0.4167 0.4167 0.4167 ( 2004 PWs) bands (ev): -22.3377 -22.3377 -7.8590 -7.8590 -7.5287 -7.5287 -7.5073 -7.5073 -5.4193 -5.4193 -4.4075 -4.4075 -4.3234 -4.3234 -1.1077 -1.1077 6.5986 6.5986 6.7925 6.7925 6.8612 6.8612 7.7201 7.7201 7.7307 7.7307 9.6311 9.6311 9.6477 9.6477 9.7796 9.7796 16.0321 16.0321 16.5662 16.5662 16.6277 16.6277 18.8277 18.8277 k = 0.4236 0.4236 0.4236 ( 2004 PWs) bands (ev): -22.3368 -22.3368 -7.8153 -7.8153 -7.5337 -7.5337 -7.5132 -7.5132 -5.4355 -5.4355 -4.4185 -4.4185 -4.3458 -4.3458 -1.1632 -1.1632 6.6182 6.6182 6.7920 6.7920 6.8578 6.8578 7.7751 7.7751 7.7841 7.7841 9.6617 9.6617 9.6780 9.6780 9.7944 9.7944 16.0385 16.0385 16.4853 16.4853 16.5482 16.5482 18.9126 18.9126 k = 0.4306 0.4306 0.4306 ( 1995 PWs) bands (ev): -22.3360 -22.3360 -7.7738 -7.7738 -7.5381 -7.5381 -7.5187 -7.5187 -5.4509 -5.4509 -4.4288 -4.4288 -4.3669 -4.3669 -1.2145 -1.2145 6.6356 6.6356 6.7930 6.7930 6.8547 6.8547 7.8258 7.8258 7.8332 7.8332 9.6916 9.6916 9.7076 9.7076 9.8082 9.8082 16.0408 16.0408 16.4094 16.4094 16.4730 16.4730 19.0011 19.0011 k = 0.4375 0.4375 0.4375 ( 1977 PWs) bands (ev): -22.3352 -22.3352 -7.7349 -7.7349 -7.5420 -7.5420 -7.5235 -7.5235 -5.4656 -5.4656 -4.4382 -4.4382 -4.3868 -4.3868 -1.2615 -1.2615 6.6506 6.6506 6.7956 6.7956 6.8517 6.8517 7.8720 7.8720 7.8780 7.8780 9.7205 9.7205 9.7362 9.7362 9.8207 9.8207 16.0397 16.0397 16.3394 16.3394 16.4027 16.4027 19.0923 19.0923 k = 0.4444 0.4444 0.4444 ( 1980 PWs) bands (ev): -22.3346 -22.3346 -7.6989 -7.6989 -7.5454 -7.5454 -7.5279 -7.5279 -5.4793 -5.4793 -4.4468 -4.4468 -4.4052 -4.4052 -1.3040 -1.3040 6.6628 6.6628 6.7998 6.7998 6.8491 6.8491 7.9135 7.9135 7.9182 7.9182 9.7479 9.7479 9.7633 9.7633 9.8321 9.8321 16.0353 16.0353 16.2762 16.2762 16.3379 16.3379 19.1851 19.1851 k = 0.4514 0.4514 0.4514 ( 1980 PWs) bands (ev): -22.3340 -22.3340 -7.6662 -7.6662 -7.5483 -7.5483 -7.5317 -7.5317 -5.4919 -5.4919 -4.4545 -4.4545 -4.4220 -4.4220 -1.3419 -1.3419 6.6723 6.6723 6.8054 6.8054 6.8467 6.8467 7.9502 7.9502 7.9538 7.9538 9.7733 9.7733 9.7886 9.7886 9.8423 9.8423 16.0280 16.0280 16.2210 16.2210 16.2793 16.2793 19.2787 19.2787 k = 0.4583 0.4583 0.4583 ( 1980 PWs) bands (ev): -22.3335 -22.3335 -7.6372 -7.6372 -7.5506 -7.5506 -7.5349 -7.5349 -5.5033 -5.5033 -4.4612 -4.4612 -4.4369 -4.4369 -1.3750 -1.3750 6.6794 6.6794 6.8119 6.8119 6.8446 6.8446 7.9821 7.9821 7.9848 7.9848 9.7962 9.7962 9.8115 9.8115 9.8514 9.8514 16.0176 16.0176 16.1748 16.1748 16.2273 16.2273 19.3719 19.3719 k = 0.4653 0.4653 0.4653 ( 1992 PWs) bands (ev): -22.3330 -22.3330 -7.6122 -7.6122 -7.5523 -7.5523 -7.5377 -7.5377 -5.5132 -5.5132 -4.4669 -4.4669 -4.4498 -4.4498 -1.4032 -1.4032 6.6843 6.6843 6.8188 6.8188 6.8428 6.8428 8.0091 8.0091 8.0110 8.0110 9.8163 9.8163 9.8318 9.8318 9.8592 9.8592 16.0040 16.0040 16.1387 16.1387 16.1824 16.1824 19.4635 19.4635 k = 0.4722 0.4722 0.4722 ( 1992 PWs) bands (ev): -22.3327 -22.3327 -7.5920 -7.5920 -7.5531 -7.5531 -7.5400 -7.5400 -5.5216 -5.5216 -4.4717 -4.4717 -4.4605 -4.4605 -1.4264 -1.4264 6.6877 6.6877 6.8253 6.8253 6.8414 6.8414 8.0312 8.0312 8.0324 8.0324 9.8330 9.8330 9.8489 9.8489 9.8660 9.8660 15.9881 15.9881 16.1128 16.1128 16.1450 16.1450 19.5517 19.5517 k = 0.4792 0.4792 0.4792 ( 2008 PWs) bands (ev): -22.3324 -22.3324 -7.5773 -7.5773 -7.5524 -7.5524 -7.5417 -7.5417 -5.5282 -5.5282 -4.4754 -4.4754 -4.4691 -4.4691 -1.4445 -1.4445 6.6900 6.6900 6.8309 6.8309 6.8402 6.8402 8.0484 8.0484 8.0491 8.0491 9.8459 9.8459 9.8626 9.8626 9.8718 9.8718 15.9721 15.9721 16.0955 16.0955 16.1156 16.1156 19.6337 19.6337 k = 0.4861 0.4861 0.4861 ( 2008 PWs) bands (ev): -22.3322 -22.3322 -7.5691 -7.5691 -7.5493 -7.5493 -7.5429 -7.5429 -5.5331 -5.5331 -4.4780 -4.4780 -4.4752 -4.4752 -1.4575 -1.4575 6.6913 6.6913 6.8352 6.8352 6.8394 6.8394 8.0607 8.0607 8.0610 8.0610 9.8548 9.8548 9.8726 9.8726 9.8764 9.8764 15.9587 15.9587 16.0848 16.0848 16.0943 16.0943 19.7051 19.7051 k = 0.4931 0.4931 0.4931 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5661 -7.5661 -7.5455 -7.5455 -7.5437 -7.5437 -5.5360 -5.5360 -4.4797 -4.4797 -4.4789 -4.4789 -1.4653 -1.4653 6.6921 6.6921 6.8379 6.8379 6.8390 6.8390 8.0681 8.0681 8.0681 8.0681 9.8599 9.8599 9.8787 9.8787 9.8796 9.8796 15.9498 15.9498 16.0790 16.0790 16.0815 16.0815 19.7571 19.7571 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5654 -7.5654 -7.5439 -7.5439 -7.5439 -7.5439 -5.5370 -5.5370 -4.4802 -4.4802 -4.4802 -4.4802 -1.4679 -1.4679 6.6923 6.6923 6.8388 6.8388 6.8388 6.8388 8.0705 8.0705 8.0705 8.0705 9.8615 9.8615 9.8807 9.8807 9.8807 9.8807 15.9467 15.9467 16.0772 16.0772 16.0772 16.0772 19.7769 19.7769 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5654 -7.5654 -7.5439 -7.5439 -7.5439 -7.5439 -5.5370 -5.5370 -4.4802 -4.4802 -4.4802 -4.4802 -1.4679 -1.4679 6.6923 6.6923 6.8388 6.8388 6.8388 6.8388 8.0705 8.0705 8.0705 8.0705 9.8615 9.8615 9.8807 9.8807 9.8807 9.8807 15.9467 15.9467 16.0772 16.0772 16.0772 16.0772 19.7769 19.7769 k = 0.4915 0.5000 0.4915 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5661 -7.5661 -7.5454 -7.5454 -7.5438 -7.5438 -5.5360 -5.5360 -4.4796 -4.4796 -4.4790 -4.4790 -1.4653 -1.4653 6.6921 6.6921 6.8378 6.8378 6.8390 6.8390 8.0669 8.0669 8.0693 8.0693 9.8599 9.8599 9.8786 9.8786 9.8797 9.8797 15.9498 15.9498 16.0792 16.0792 16.0813 16.0813 19.7572 19.7572 k = 0.4831 0.5000 0.4831 ( 2008 PWs) bands (ev): -22.3322 -22.3322 -7.5686 -7.5686 -7.5496 -7.5496 -7.5431 -7.5431 -5.5331 -5.5331 -4.4779 -4.4779 -4.4754 -4.4754 -1.4576 -1.4576 6.6913 6.6913 6.8350 6.8350 6.8397 6.8397 8.0562 8.0562 8.0656 8.0656 9.8548 9.8548 9.8723 9.8723 9.8768 9.8768 15.9587 15.9587 16.0852 16.0852 16.0937 16.0937 19.7058 19.7058 k = 0.4746 0.5000 0.4746 ( 2008 PWs) bands (ev): -22.3324 -22.3324 -7.5747 -7.5747 -7.5553 -7.5553 -7.5412 -7.5412 -5.5283 -5.5283 -4.4750 -4.4750 -4.4695 -4.4695 -1.4447 -1.4447 6.6899 6.6899 6.8305 6.8305 6.8407 6.8407 8.0383 8.0383 8.0596 8.0596 9.8455 9.8455 9.8621 9.8621 9.8728 9.8728 15.9727 15.9727 16.0955 16.0955 16.1145 16.1145 19.6355 19.6355 k = 0.4661 0.5000 0.4661 ( 1992 PWs) bands (ev): -22.3327 -22.3327 -7.5858 -7.5858 -7.5614 -7.5614 -7.5376 -7.5376 -5.5216 -5.5216 -4.4710 -4.4710 -4.4614 -4.4614 -1.4267 -1.4267 6.6875 6.6875 6.8247 6.8247 6.8423 6.8423 8.0133 8.0133 8.0511 8.0511 9.8318 9.8318 9.8483 9.8483 9.8680 9.8680 15.9905 15.9905 16.1107 16.1107 16.1440 16.1440 19.5550 19.5550 k = 0.4576 0.5000 0.4576 ( 1992 PWs) bands (ev): -22.3330 -22.3330 -7.6018 -7.6018 -7.5679 -7.5679 -7.5324 -7.5324 -5.5133 -5.5133 -4.4660 -4.4660 -4.4510 -4.4510 -1.4036 -1.4036 6.6838 6.6838 6.8179 6.8179 6.8443 6.8443 7.9811 7.9811 8.0403 8.0403 9.8139 9.8139 9.8310 9.8310 9.8624 9.8624 16.0106 16.0106 16.1315 16.1315 16.1822 16.1822 19.4690 19.4690 k = 0.4492 0.5000 0.4492 ( 1980 PWs) bands (ev): -22.3334 -22.3334 -7.6220 -7.6220 -7.5750 -7.5750 -7.5257 -7.5257 -5.5033 -5.5033 -4.4598 -4.4598 -4.4385 -4.4385 -1.3756 -1.3756 6.6783 6.6783 6.8110 6.8110 6.8467 6.8467 7.9420 7.9420 8.0271 8.0271 9.7922 9.7922 9.8106 9.8106 9.8559 9.8559 16.0315 16.0315 16.1585 16.1585 16.2291 16.2291 19.3800 19.3800 k = 0.4407 0.5000 0.4407 ( 1976 PWs) bands (ev): -22.3339 -22.3339 -7.6458 -7.6458 -7.5830 -7.5830 -7.5174 -7.5174 -5.4919 -5.4919 -4.4526 -4.4526 -4.4241 -4.4241 -1.3427 -1.3427 6.6704 6.6704 6.8045 6.8045 6.8497 6.8497 7.8959 7.8959 8.0116 8.0116 9.7672 9.7672 9.7872 9.7872 9.8485 9.8485 16.0521 16.0521 16.1918 16.1918 16.2845 16.2845 19.2900 19.2900 k = 0.4322 0.5000 0.4322 ( 1982 PWs) bands (ev): -22.3345 -22.3345 -7.6729 -7.6729 -7.5917 -7.5917 -7.5078 -7.5078 -5.4792 -5.4792 -4.4444 -4.4444 -4.4079 -4.4079 -1.3050 -1.3050 6.6595 6.6595 6.7992 6.7992 6.8531 6.8531 7.8431 7.8431 7.9939 7.9939 9.7395 9.7395 9.7609 9.7609 9.8400 9.8400 16.0719 16.0719 16.2314 16.2314 16.3478 16.3478 19.2000 19.2000 k = 0.4237 0.5000 0.4237 ( 1986 PWs) bands (ev): -22.3352 -22.3352 -7.7030 -7.7030 -7.6012 -7.6012 -7.4968 -7.4968 -5.4654 -5.4654 -4.4353 -4.4353 -4.3900 -4.3900 -1.2627 -1.2627 6.6456 6.6456 6.7953 6.7953 6.8570 6.8570 7.7836 7.7836 7.9740 7.9740 9.7096 9.7096 9.7320 9.7320 9.8304 9.8304 16.0909 16.0909 16.2768 16.2768 16.4183 16.4183 19.1112 19.1112 k = 0.4153 0.5000 0.4153 ( 1990 PWs) bands (ev): -22.3359 -22.3359 -7.7358 -7.7358 -7.6112 -7.6112 -7.4845 -7.4845 -5.4506 -5.4506 -4.4252 -4.4252 -4.3706 -4.3706 -1.2158 -1.2158 6.6286 6.6286 6.7932 6.7932 6.8614 6.8614 7.7177 7.7177 7.9521 7.9521 9.6778 9.6778 9.7007 9.7007 9.8197 9.8197 16.1088 16.1088 16.3273 16.3273 16.4954 16.4954 19.0245 19.0245 k = 0.4068 0.5000 0.4068 ( 1992 PWs) bands (ev): -22.3367 -22.3367 -7.7711 -7.7711 -7.6218 -7.6218 -7.4710 -7.4710 -5.4350 -5.4350 -4.4143 -4.4143 -4.3498 -4.3498 -1.1646 -1.1646 6.6089 6.6089 6.7926 6.7926 6.8662 6.8662 7.6458 7.6458 7.9282 7.9282 9.6447 9.6447 9.6674 9.6674 9.8078 9.8078 16.1255 16.1255 16.3823 16.3823 16.5783 16.5783 18.9407 18.9407 k = 0.3983 0.5000 0.3983 ( 1992 PWs) bands (ev): -22.3375 -22.3375 -7.8085 -7.8085 -7.6326 -7.6326 -7.4562 -7.4562 -5.4187 -5.4187 -4.4026 -4.4026 -4.3278 -4.3278 -1.1092 -1.1092 6.5868 6.5868 6.7934 6.7934 6.8714 6.8714 7.5680 7.5680 7.9025 7.9025 9.6106 9.6106 9.6321 9.6321 9.7948 9.7948 16.1407 16.1407 16.4413 16.4413 16.6662 16.6662 18.8607 18.8607 k = 0.3898 0.5000 0.3898 ( 2004 PWs) bands (ev): -22.3385 -22.3385 -7.8478 -7.8478 -7.6437 -7.6437 -7.4402 -7.4402 -5.4020 -5.4020 -4.3902 -4.3902 -4.3049 -4.3049 -1.0497 -1.0497 6.5630 6.5630 6.7954 6.7954 6.8768 6.8768 7.4847 7.4847 7.8752 7.8752 9.5756 9.5756 9.5953 9.5953 9.7806 9.7806 16.1540 16.1540 16.5039 16.5039 16.7585 16.7585 18.7853 18.7853 k = 0.3814 0.5000 0.3814 ( 2004 PWs) bands (ev): -22.3395 -22.3395 -7.8888 -7.8888 -7.6549 -7.6549 -7.4231 -7.4231 -5.3848 -5.3848 -4.3770 -4.3770 -4.2811 -4.2811 -0.9862 -0.9862 6.5379 6.5379 6.7984 6.7984 6.8824 6.8824 7.3963 7.3963 7.8466 7.8466 9.5398 9.5398 9.5574 9.5574 9.7651 9.7651 16.1648 16.1648 16.5697 16.5697 16.8543 16.8543 18.7155 18.7155 k = 0.3729 0.5000 0.3729 ( 2008 PWs) bands (ev): -22.3405 -22.3405 -7.9313 -7.9313 -7.6661 -7.6661 -7.4048 -7.4048 -5.3674 -5.3674 -4.3632 -4.3632 -4.2567 -4.2567 -0.9191 -0.9191 6.5120 6.5120 6.8021 6.8021 6.8878 6.8878 7.3033 7.3033 7.8168 7.8168 9.5031 9.5031 9.5189 9.5189 9.7485 9.7485 16.1725 16.1725 16.6382 16.6382 16.9532 16.9532 18.6520 18.6520 k = 0.3644 0.5000 0.3644 ( 2008 PWs) bands (ev): -22.3416 -22.3416 -7.9750 -7.9750 -7.6770 -7.6770 -7.3854 -7.3854 -5.3498 -5.3498 -4.3489 -4.3489 -4.2319 -4.2319 -0.8484 -0.8484 6.4857 6.4857 6.8064 6.8064 6.8928 6.8928 7.2060 7.2060 7.7864 7.7864 9.4650 9.4650 9.4808 9.4808 9.7305 9.7305 16.1766 16.1766 16.7091 16.7091 17.0544 17.0544 18.5957 18.5957 k = 0.3559 0.5000 0.3559 ( 2004 PWs) bands (ev): -22.3428 -22.3428 -8.0197 -8.0197 -7.6877 -7.6877 -7.3650 -7.3650 -5.3322 -5.3322 -4.3340 -4.3340 -4.2068 -4.2068 -0.7743 -0.7743 6.4594 6.4594 6.8112 6.8112 6.8970 6.8970 7.1050 7.1050 7.7557 7.7557 9.4250 9.4250 9.4437 9.4437 9.7113 9.7113 16.1763 16.1763 16.7820 16.7820 17.1574 17.1574 18.5473 18.5473 k = 0.3475 0.5000 0.3475 ( 2012 PWs) bands (ev): -22.3440 -22.3440 -8.0652 -8.0652 -7.6980 -7.6980 -7.3435 -7.3435 -5.3147 -5.3147 -4.3188 -4.3188 -4.1816 -4.1816 -0.6970 -0.6970 6.4336 6.4336 6.8165 6.8165 6.8998 6.8998 7.0007 7.0007 7.7253 7.7253 9.3834 9.3834 9.4077 9.4077 9.6908 9.6908 16.1711 16.1711 16.8566 16.8566 17.2617 17.2617 18.5074 18.5074 k = 0.3390 0.5000 0.3390 ( 2012 PWs) bands (ev): -22.3453 -22.3453 -8.1114 -8.1114 -7.7078 -7.7078 -7.3210 -7.3210 -5.2973 -5.2973 -4.3031 -4.3031 -4.1566 -4.1566 -0.6167 -0.6167 6.4085 6.4085 6.8219 6.8219 6.8903 6.8903 6.9041 6.9041 7.6959 7.6959 9.3407 9.3407 9.3726 9.3726 9.6690 9.6690 16.1606 16.1606 16.9326 16.9326 17.3669 17.3669 18.4765 18.4765 k = 0.3305 0.5000 0.3305 ( 2012 PWs) bands (ev): -22.3466 -22.3466 -8.1581 -8.1581 -7.7171 -7.7171 -7.2977 -7.2977 -5.2801 -5.2801 -4.2871 -4.2871 -4.1318 -4.1318 -0.5335 -0.5335 6.3845 6.3845 6.7826 6.7826 6.8276 6.8276 6.9005 6.9005 7.6684 7.6684 9.2973 9.2973 9.3381 9.3381 9.6458 9.6458 16.1446 16.1446 17.0096 17.0096 17.4723 17.4723 18.4551 18.4551 k = 0.3220 0.5000 0.3220 ( 2016 PWs) bands (ev): -22.3480 -22.3480 -8.2050 -8.2050 -7.7257 -7.7257 -7.2734 -7.2734 -5.2631 -5.2631 -4.2709 -4.2709 -4.1074 -4.1074 -0.4477 -0.4477 6.3619 6.3619 6.6709 6.6709 6.8322 6.8322 6.8968 6.8968 7.6437 7.6437 9.2535 9.2535 9.3042 9.3042 9.6214 9.6214 16.1228 16.1228 17.0874 17.0874 17.5777 17.5777 18.4431 18.4431 k = 0.3136 0.5000 0.3136 ( 2012 PWs) bands (ev): -22.3494 -22.3494 -8.2520 -8.2520 -7.7336 -7.7336 -7.2483 -7.2483 -5.2465 -5.2465 -4.2545 -4.2545 -4.0836 -4.0836 -0.3593 -0.3593 6.3411 6.3411 6.5573 6.5573 6.8346 6.8346 6.8914 6.8914 7.6226 7.6226 9.2095 9.2095 9.2708 9.2708 9.5955 9.5955 16.0954 16.0954 17.1654 17.1654 17.6827 17.6827 18.4405 18.4405 k = 0.3051 0.5000 0.3051 ( 2024 PWs) bands (ev): -22.3508 -22.3508 -8.2991 -8.2991 -7.7407 -7.7407 -7.2224 -7.2224 -5.2303 -5.2303 -4.2380 -4.2380 -4.0606 -4.0606 -0.2686 -0.2686 6.3223 6.3223 6.4425 6.4425 6.8310 6.8310 6.8870 6.8870 7.6063 7.6063 9.1653 9.1653 9.2379 9.2379 9.5684 9.5684 16.0625 16.0625 17.2435 17.2435 17.7869 17.7869 18.4468 18.4468 k = 0.2966 0.5000 0.2966 ( 2024 PWs) bands (ev): -22.3523 -22.3523 -8.3460 -8.3460 -7.7469 -7.7469 -7.1957 -7.1957 -5.2144 -5.2144 -4.2215 -4.2215 -4.0384 -4.0384 -0.1757 -0.1757 6.3057 6.3057 6.3267 6.3267 6.8168 6.8168 6.8873 6.8873 7.5954 7.5954 9.1213 9.1213 9.2055 9.2055 9.5398 9.5398 16.0248 16.0248 17.3213 17.3213 17.8901 17.8901 18.4618 18.4618 k = 0.2881 0.5000 0.2881 ( 2020 PWs) bands (ev): -22.3538 -22.3538 -8.3927 -8.3927 -7.7523 -7.7523 -7.1684 -7.1684 -5.1990 -5.1990 -4.2049 -4.2049 -4.0172 -4.0172 -0.0808 -0.0808 6.2103 6.2103 6.2916 6.2916 6.7915 6.7915 6.8926 6.8926 7.5904 7.5904 9.0775 9.0775 9.1737 9.1737 9.5099 9.5099 15.9825 15.9825 17.3983 17.3983 17.9920 17.9920 18.4846 18.4846 k = 0.2797 0.5000 0.2797 ( 2020 PWs) bands (ev): -22.3554 -22.3554 -8.4389 -8.4389 -7.7568 -7.7568 -7.1404 -7.1404 -5.1841 -5.1841 -4.1885 -4.1885 -3.9971 -3.9971 0.0160 0.0160 6.0937 6.0937 6.2801 6.2801 6.7567 6.7567 6.9011 6.9011 7.5915 7.5915 9.0339 9.0339 9.1424 9.1424 9.4786 9.4786 15.9364 15.9364 17.4742 17.4742 18.0924 18.0924 18.5146 18.5146 k = 0.2712 0.5000 0.2712 ( 2016 PWs) bands (ev): -22.3569 -22.3569 -8.4847 -8.4847 -7.7603 -7.7603 -7.1119 -7.1119 -5.1698 -5.1698 -4.1722 -4.1722 -3.9780 -3.9780 0.1145 0.1145 5.9772 5.9772 6.2715 6.2715 6.7138 6.7138 6.9116 6.9116 7.5986 7.5986 8.9907 8.9907 9.1117 9.1117 9.4460 9.4460 15.8870 15.8870 17.5485 17.5485 18.1910 18.1910 18.5510 18.5510 k = 0.2627 0.5000 0.2627 ( 2012 PWs) bands (ev): -22.3585 -22.3585 -8.5299 -8.5299 -7.7628 -7.7628 -7.0830 -7.0830 -5.1560 -5.1560 -4.1561 -4.1561 -3.9602 -3.9602 0.2147 0.2147 5.8611 5.8611 6.2659 6.2659 6.6637 6.6637 6.9236 6.9236 7.6112 7.6112 8.9480 8.9480 9.0815 9.0815 9.4121 9.4121 15.8350 15.8350 17.6208 17.6208 18.2878 18.2878 18.5927 18.5927 k = 0.2542 0.5000 0.2542 ( 2012 PWs) bands (ev): -22.3601 -22.3601 -8.5743 -8.5743 -7.7644 -7.7644 -7.0536 -7.0536 -5.1428 -5.1428 -4.1404 -4.1404 -3.9436 -3.9436 0.3163 0.3163 5.7458 5.7458 6.2634 6.2634 6.6072 6.6072 6.9368 6.9368 7.6289 7.6289 8.9058 8.9058 9.0519 9.0519 9.3768 9.3768 15.7810 15.7810 17.6905 17.6905 18.3824 18.3824 18.6375 18.6375 k = 0.2458 0.5000 0.2458 ( 2014 PWs) bands (ev): -22.3617 -22.3617 -8.6180 -8.6180 -7.7650 -7.7650 -7.0238 -7.0238 -5.1302 -5.1302 -4.1251 -4.1251 -3.9282 -3.9282 0.4192 0.4192 5.6314 5.6314 6.2640 6.2640 6.5450 6.5450 6.9511 6.9511 7.6510 7.6510 8.8642 8.8642 9.0229 9.0229 9.3402 9.3402 15.7254 15.7254 17.7571 17.7571 18.4746 18.4746 18.6171 18.6171 k = 0.2373 0.5000 0.2373 ( 2018 PWs) bands (ev): -22.3633 -22.3633 -8.6608 -8.6608 -7.7647 -7.7647 -6.9939 -6.9939 -5.1182 -5.1182 -4.1103 -4.1103 -3.9140 -3.9140 0.5234 0.5234 5.5184 5.5184 6.2679 6.2679 6.4778 6.4778 6.9665 6.9665 7.6771 7.6771 8.8233 8.8233 8.9945 8.9945 9.3024 9.3024 15.6688 15.6688 17.8200 17.8200 18.5470 18.5470 18.5703 18.5703 k = 0.2288 0.5000 0.2288 ( 2018 PWs) bands (ev): -22.3649 -22.3649 -8.7027 -8.7027 -7.7633 -7.7633 -6.9637 -6.9637 -5.1070 -5.1070 -4.0961 -4.0961 -3.9009 -3.9009 0.6286 0.6286 5.4068 5.4068 6.2750 6.2750 6.4060 6.4060 6.9830 6.9830 7.7066 7.7066 8.7831 8.7831 8.9668 8.9668 9.2633 9.2633 15.6117 15.6117 17.8786 17.8786 18.4876 18.4876 18.6539 18.6539 k = 0.2203 0.5000 0.2203 ( 2010 PWs) bands (ev): -22.3665 -22.3665 -8.7435 -8.7435 -7.7611 -7.7611 -6.9334 -6.9334 -5.0964 -5.0964 -4.0825 -4.0825 -3.8889 -3.8889 0.7349 0.7349 5.2970 5.2970 6.2848 6.2848 6.3306 6.3306 7.0006 7.0006 7.7390 7.7390 8.7436 8.7436 8.9398 8.9398 9.2230 9.2230 15.5545 15.5545 17.9322 17.9322 18.4259 18.4259 18.7389 18.7389 k = 0.2119 0.5000 0.2119 ( 2010 PWs) bands (ev): -22.3681 -22.3681 -8.7833 -8.7833 -7.7579 -7.7579 -6.9031 -6.9031 -5.0866 -5.0866 -4.0698 -4.0698 -3.8779 -3.8779 0.8421 0.8421 5.1892 5.1892 6.2494 6.2494 6.3001 6.3001 7.0193 7.0193 7.7739 7.7739 8.7050 8.7050 8.9135 8.9135 9.1815 9.1815 15.4974 15.4974 17.9802 17.9802 18.3660 18.3660 18.8215 18.8215 k = 0.2034 0.5000 0.2034 ( 2010 PWs) bands (ev): -22.3696 -22.3696 -8.8219 -8.8219 -7.7539 -7.7539 -6.8729 -6.8729 -5.0775 -5.0775 -4.0581 -4.0581 -3.8677 -3.8677 0.9502 0.9502 5.0836 5.0836 6.1670 6.1670 6.3162 6.3162 7.0390 7.0390 7.8110 7.8110 8.6671 8.6671 8.8880 8.8880 9.1389 9.1389 15.4407 15.4407 18.0220 18.0220 18.3083 18.3083 18.9014 18.9014 k = 0.1949 0.5000 0.1949 ( 2018 PWs) bands (ev): -22.3712 -22.3712 -8.8593 -8.8593 -7.7491 -7.7491 -6.8429 -6.8429 -5.0691 -5.0691 -4.0473 -4.0473 -3.8583 -3.8583 1.0590 1.0590 4.9805 4.9805 6.0811 6.0811 6.3358 6.3358 7.0599 7.0599 7.8498 7.8498 8.6302 8.6302 8.8632 8.8632 9.0953 9.0953 15.3848 15.3848 18.0572 18.0572 18.2531 18.2531 18.9782 18.9782 k = 0.1864 0.5000 0.1864 ( 2010 PWs) bands (ev): -22.3727 -22.3727 -8.8955 -8.8955 -7.7435 -7.7435 -6.8131 -6.8131 -5.0615 -5.0615 -4.0377 -4.0377 -3.8494 -3.8494 1.1685 1.1685 4.8800 4.8800 5.9924 5.9924 6.3582 6.3582 7.0819 7.0819 7.8901 7.8901 8.5942 8.5942 8.8392 8.8392 9.0507 9.0507 15.3298 15.3298 18.0851 18.0851 18.2007 18.2007 19.0514 19.0514 k = 0.1780 0.5000 0.1780 ( 2006 PWs) bands (ev): -22.3742 -22.3742 -8.9304 -8.9304 -7.7372 -7.7372 -6.7836 -6.7836 -5.0548 -5.0548 -4.0293 -4.0293 -3.8409 -3.8409 1.2785 1.2785 4.7824 4.7824 5.9011 5.9011 6.3833 6.3833 7.1051 7.1051 7.9316 7.9316 8.5591 8.5591 8.8161 8.8161 9.0052 9.0052 15.2759 15.2759 18.1030 18.1030 18.1541 18.1541 19.1195 19.1195 k = 0.1695 0.5000 0.1695 ( 2006 PWs) bands (ev): -22.3757 -22.3757 -8.9639 -8.9639 -7.7303 -7.7303 -6.7547 -6.7547 -5.0488 -5.0488 -4.0221 -4.0221 -3.8328 -3.8328 1.3892 1.3892 4.6879 4.6879 5.8074 5.8074 6.4109 6.4109 7.1294 7.1294 7.9739 7.9739 8.5250 8.5250 8.7938 8.7938 8.9588 8.9588 15.2233 15.2233 18.0890 18.0890 18.1354 18.1354 19.1714 19.1714 k = 0.1610 0.5000 0.1610 ( 2006 PWs) bands (ev): -22.3771 -22.3771 -8.9960 -8.9960 -7.7228 -7.7228 -6.7262 -6.7262 -5.0435 -5.0435 -4.0163 -4.0163 -3.8248 -3.8248 1.5003 1.5003 4.5966 4.5966 5.7116 5.7116 6.4406 6.4406 7.1548 7.1548 8.0168 8.0168 8.4918 8.4918 8.7724 8.7724 8.9117 8.9117 15.1722 15.1722 18.0476 18.0476 18.1403 18.1403 19.1667 19.1667 k = 0.1525 0.5000 0.1525 ( 2006 PWs) bands (ev): -22.3785 -22.3785 -9.0266 -9.0266 -7.7149 -7.7149 -6.6985 -6.6985 -5.0391 -5.0391 -4.0117 -4.0117 -3.8170 -3.8170 1.6118 1.6118 4.5087 4.5087 5.6139 5.6139 6.4723 6.4723 7.1813 7.1813 8.0599 8.0599 8.4597 8.4597 8.7519 8.7519 8.8639 8.8639 15.1226 15.1226 18.0049 18.0049 18.1434 18.1434 19.1272 19.1272 k = 0.1441 0.5000 0.1441 ( 2010 PWs) bands (ev): -22.3799 -22.3799 -9.0559 -9.0559 -7.7065 -7.7065 -6.6714 -6.6714 -5.0354 -5.0354 -4.0084 -4.0084 -3.8092 -3.8092 1.7237 1.7237 4.4245 4.4245 5.5143 5.5143 6.5056 6.5056 7.2090 7.2090 8.1031 8.1031 8.4287 8.4287 8.7324 8.7324 8.8156 8.8156 15.0747 15.0747 17.9640 17.9640 18.1422 18.1422 19.0747 19.0747 k = 0.1356 0.5000 0.1356 ( 2010 PWs) bands (ev): -22.3812 -22.3812 -9.0836 -9.0836 -7.6979 -7.6979 -6.6453 -6.6453 -5.0325 -5.0325 -4.0062 -4.0062 -3.8015 -3.8015 1.8360 1.8360 4.3440 4.3440 5.4130 5.4130 6.5402 6.5402 7.2377 7.2377 8.1459 8.1459 8.3987 8.3987 8.7138 8.7138 8.7668 8.7668 15.0287 15.0287 17.9252 17.9252 18.1367 18.1367 19.0146 19.0146 k = 0.1271 0.5000 0.1271 ( 2018 PWs) bands (ev): -22.3824 -22.3824 -9.1097 -9.1097 -7.6890 -7.6890 -6.6201 -6.6201 -5.0303 -5.0303 -4.0051 -4.0051 -3.7939 -3.7939 1.9486 1.9486 4.2675 4.2675 5.3102 5.3102 6.5758 6.5758 7.2676 7.2676 8.1881 8.1881 8.3699 8.3699 8.6961 8.6961 8.7178 8.7178 14.9846 14.9846 17.8889 17.8889 18.1274 18.1274 18.9501 18.9501 k = 0.1186 0.5000 0.1186 ( 2018 PWs) bands (ev): -22.3836 -22.3836 -9.1343 -9.1343 -7.6801 -7.6801 -6.5959 -6.5959 -5.0287 -5.0287 -4.0048 -4.0048 -3.7864 -3.7864 2.0615 2.0615 4.1951 4.1951 5.2060 5.2060 6.6120 6.6120 7.2984 7.2984 8.2294 8.2294 8.3422 8.3422 8.6680 8.6680 8.6800 8.6800 14.9425 14.9425 17.8549 17.8549 18.1146 18.1146 18.8840 18.8840 k = 0.1102 0.5000 0.1102 ( 2022 PWs) bands (ev): -22.3847 -22.3847 -9.1573 -9.1573 -7.6711 -7.6711 -6.5730 -6.5730 -5.0277 -5.0277 -4.0053 -4.0053 -3.7791 -3.7791 2.1746 2.1746 4.1270 4.1270 5.1005 5.1005 6.6484 6.6484 7.3303 7.3303 8.2692 8.2692 8.3160 8.3160 8.6188 8.6188 8.6643 8.6643 14.9026 14.9026 17.8234 17.8234 18.0987 18.0987 18.8185 18.8185 k = 0.1017 0.5000 0.1017 ( 2022 PWs) bands (ev): -22.3858 -22.3858 -9.1787 -9.1787 -7.6622 -7.6622 -6.5512 -6.5512 -5.0273 -5.0273 -4.0064 -4.0064 -3.7720 -3.7720 2.2879 2.2879 4.0632 4.0632 4.9939 4.9939 6.6846 6.6846 7.3630 7.3630 8.2888 8.2888 8.3098 8.3098 8.5695 8.5695 8.6499 8.6499 14.8650 14.8650 17.7943 17.7943 18.0801 18.0801 18.7555 18.7555 k = 0.0932 0.5000 0.0932 ( 2022 PWs) bands (ev): -22.3867 -22.3867 -9.1985 -9.1985 -7.6536 -7.6536 -6.5308 -6.5308 -5.0273 -5.0273 -4.0079 -4.0079 -3.7652 -3.7652 2.4014 2.4014 4.0041 4.0041 4.8862 4.8862 6.7202 6.7202 7.3965 7.3965 8.2658 8.2658 8.3457 8.3457 8.5205 8.5205 8.6366 8.6366 14.8299 14.8299 17.7677 17.7677 18.0592 18.0592 18.6962 18.6962 k = 0.0847 0.5000 0.0847 ( 2020 PWs) bands (ev): -22.3876 -22.3876 -9.2166 -9.2166 -7.6453 -7.6453 -6.5119 -6.5119 -5.0278 -5.0278 -4.0098 -4.0098 -3.7588 -3.7588 2.5150 2.5150 3.9496 3.9496 4.7776 4.7776 6.7548 6.7548 7.4307 7.4307 8.2433 8.2433 8.3803 8.3803 8.4721 8.4721 8.6244 8.6244 14.7972 14.7972 17.7435 17.7435 18.0364 18.0364 18.6417 18.6417 k = 0.0763 0.5000 0.0763 ( 2012 PWs) bands (ev): -22.3885 -22.3885 -9.2330 -9.2330 -7.6373 -7.6373 -6.4944 -6.4944 -5.0285 -5.0285 -4.0118 -4.0118 -3.7529 -3.7529 2.6288 2.6288 3.8999 3.8999 4.6682 4.6682 6.7879 6.7879 7.4654 7.4654 8.2222 8.2222 8.4107 8.4107 8.4263 8.4263 8.6134 8.6134 14.7672 14.7672 17.7216 17.7216 18.0123 18.0123 18.5927 18.5927 k = 0.0678 0.5000 0.0678 ( 2012 PWs) bands (ev): -22.3892 -22.3892 -9.2478 -9.2478 -7.6299 -7.6299 -6.4786 -6.4786 -5.0295 -5.0295 -4.0138 -4.0138 -3.7474 -3.7474 2.7427 2.7427 3.8551 3.8551 4.5580 4.5580 6.8192 6.8192 7.5003 7.5003 8.2025 8.2025 8.3767 8.3767 8.4434 8.4434 8.6035 8.6035 14.7399 14.7399 17.7021 17.7021 17.9874 17.9874 18.5496 18.5496 k = 0.0593 0.5000 0.0593 ( 2016 PWs) bands (ev): -22.3899 -22.3899 -9.2608 -9.2608 -7.6231 -7.6231 -6.4645 -6.4645 -5.0306 -5.0306 -4.0159 -4.0159 -3.7424 -3.7424 2.8566 2.8566 3.8153 3.8153 4.4471 4.4471 6.8481 6.8481 7.5352 7.5352 8.1844 8.1844 8.3318 8.3318 8.4700 8.4700 8.5949 8.5949 14.7155 14.7155 17.6850 17.6850 17.9627 17.9627 18.5125 18.5125 k = 0.0508 0.5000 0.0508 ( 2014 PWs) bands (ev): -22.3905 -22.3905 -9.2721 -9.2721 -7.6171 -7.6171 -6.4520 -6.4520 -5.0318 -5.0318 -4.0178 -4.0178 -3.7380 -3.7380 2.9706 2.9706 3.7806 3.7806 4.3358 4.3358 6.8742 6.8742 7.5695 7.5695 8.1679 8.1679 8.2889 8.2889 8.4936 8.4936 8.5876 8.5876 14.6941 14.6941 17.6702 17.6702 17.9389 17.9389 18.4812 18.4812 k = 0.0424 0.5000 0.0424 ( 2012 PWs) bands (ev): -22.3910 -22.3910 -9.2817 -9.2817 -7.6118 -7.6118 -6.4414 -6.4414 -5.0329 -5.0329 -4.0196 -4.0196 -3.7343 -3.7343 3.0845 3.0845 3.7511 3.7511 4.2240 4.2240 6.8971 6.8971 7.6026 7.6026 8.1528 8.1528 8.2491 8.2491 8.5137 8.5137 8.5817 8.5817 14.6758 14.6758 17.6577 17.6577 17.9169 17.9169 18.4556 18.4556 k = 0.0339 0.5000 0.0339 ( 2012 PWs) bands (ev): -22.3914 -22.3914 -9.2896 -9.2896 -7.6073 -7.6073 -6.4327 -6.4327 -5.0340 -5.0340 -4.0211 -4.0211 -3.7311 -3.7311 3.1983 3.1983 3.7268 3.7268 4.1119 4.1119 6.9165 6.9165 7.6337 7.6337 8.1390 8.1390 8.2138 8.2138 8.5298 8.5298 8.5774 8.5774 14.6607 14.6607 17.6475 17.6475 17.8976 17.8976 18.4352 18.4352 k = 0.0254 0.5000 0.0254 ( 2024 PWs) bands (ev): -22.3917 -22.3917 -9.2957 -9.2957 -7.6038 -7.6038 -6.4258 -6.4258 -5.0349 -5.0349 -4.0223 -4.0223 -3.7287 -3.7287 3.3120 3.3120 3.7077 3.7077 3.9997 3.9997 6.9320 6.9320 7.6611 7.6611 8.1259 8.1259 8.1851 8.1851 8.5415 8.5415 8.5751 8.5751 14.6488 14.6488 17.6395 17.6395 17.8818 17.8818 18.4197 18.4197 k = 0.0169 0.5000 0.0169 ( 2024 PWs) bands (ev): -22.3919 -22.3919 -9.3001 -9.3001 -7.6013 -7.6013 -6.4209 -6.4209 -5.0356 -5.0356 -4.0232 -4.0232 -3.7269 -3.7269 3.4250 3.4250 3.6936 3.6936 3.8881 3.8881 6.9433 6.9433 7.6833 7.6833 8.1135 8.1135 8.1650 8.1650 8.5485 8.5485 8.5750 8.5750 14.6403 14.6403 17.6339 17.6339 17.8700 17.8700 18.4089 18.4089 k = 0.0085 0.5000 0.0085 ( 2028 PWs) bands (ev): -22.3921 -22.3921 -9.3028 -9.3028 -7.5997 -7.5997 -6.4180 -6.4180 -5.0360 -5.0360 -4.0238 -4.0238 -3.7259 -3.7259 3.5365 3.5365 3.6827 3.6827 3.7800 3.7800 6.9501 6.9501 7.6980 7.6980 8.1038 8.1038 8.1538 8.1538 8.5515 8.5515 8.5761 8.5761 14.6352 14.6352 17.6305 17.6305 17.8627 17.8627 18.4025 18.4025 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -22.3921 -22.3921 -9.3036 -9.3036 -7.5992 -7.5992 -6.4170 -6.4170 -5.0362 -5.0362 -4.0240 -4.0240 -3.7255 -3.7255 3.6284 3.6284 3.6528 3.6528 3.7154 3.7154 6.9524 6.9524 7.7031 7.7031 8.1000 8.1000 8.1503 8.1503 8.5522 8.5522 8.5767 8.5767 14.6335 14.6335 17.6294 17.6294 17.8603 17.8603 18.4003 18.4003 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -22.3595 -22.3595 -7.9724 -7.9724 -7.9482 -7.9482 -7.9128 -7.9128 -4.9327 -4.9327 -3.9031 -3.9031 -3.8477 -3.8477 1.1329 1.1329 4.2928 4.2928 5.5593 5.5593 7.4692 7.4692 7.4707 7.4707 8.0343 8.0343 8.0452 8.0452 8.0617 8.0617 9.7763 9.7763 17.3167 17.3167 18.3134 18.3134 18.5357 18.5357 18.6046 18.6046 k = 0.5000 0.5000 0.0119 ( 2000 PWs) bands (ev): -22.3594 -22.3594 -7.9719 -7.9719 -7.9477 -7.9477 -7.9124 -7.9124 -4.9334 -4.9334 -3.9039 -3.9039 -3.8485 -3.8485 1.1260 1.1260 4.3010 4.3010 5.5610 5.5610 7.4651 7.4651 7.4673 7.4673 8.0395 8.0395 8.0454 8.0454 8.0666 8.0666 9.7764 9.7764 17.3170 17.3170 18.3117 18.3118 18.5373 18.5373 18.5981 18.5981 k = 0.5000 0.5000 0.0238 ( 2020 PWs) bands (ev): -22.3593 -22.3593 -7.9704 -7.9704 -7.9463 -7.9463 -7.9111 -7.9111 -4.9358 -4.9358 -3.9064 -3.9064 -3.8510 -3.8510 1.1056 1.1056 4.3254 4.3254 5.5662 5.5662 7.4533 7.4533 7.4574 7.4574 8.0450 8.0450 8.0559 8.0559 8.0808 8.0808 9.7768 9.7768 17.3181 17.3181 18.3067 18.3067 18.5419 18.5419 18.5789 18.5789 k = 0.5000 0.5000 0.0357 ( 2020 PWs) bands (ev): -22.3592 -22.3592 -7.9680 -7.9680 -7.9439 -7.9439 -7.9089 -7.9089 -4.9397 -4.9397 -3.9106 -3.9106 -3.8552 -3.8552 1.0723 1.0723 4.3652 4.3652 5.5747 5.5747 7.4350 7.4350 7.4418 7.4418 8.0453 8.0453 8.0809 8.0809 8.1035 8.1035 9.7774 9.7774 17.3197 17.3197 18.2986 18.2986 18.5478 18.5478 18.5498 18.5498 k = 0.5000 0.5000 0.0476 ( 2020 PWs) bands (ev): -22.3589 -22.3589 -7.9646 -7.9646 -7.9405 -7.9405 -7.9059 -7.9059 -4.9451 -4.9451 -3.9163 -3.9163 -3.8609 -3.8609 1.0273 1.0273 4.4194 4.4194 5.5865 5.5865 7.4117 7.4117 7.4218 7.4218 8.0456 8.0456 8.1136 8.1136 8.1335 8.1335 9.7784 9.7784 17.3218 17.3218 18.2876 18.2876 18.5060 18.5060 18.5606 18.5606 k = 0.5000 0.5000 0.0595 ( 2020 PWs) bands (ev): -22.3586 -22.3586 -7.9602 -7.9602 -7.9362 -7.9362 -7.9021 -7.9021 -4.9520 -4.9520 -3.9237 -3.9237 -3.8683 -3.8683 0.9716 0.9716 4.4868 4.4868 5.6016 5.6016 7.3849 7.3849 7.3985 7.3985 8.0459 8.0459 8.1526 8.1526 8.1696 8.1696 9.7796 9.7796 17.3240 17.3240 18.2741 18.2741 18.4546 18.4546 18.5738 18.5738 k = 0.5000 0.5000 0.0714 ( 2016 PWs) bands (ev): -22.3581 -22.3581 -7.9550 -7.9550 -7.9310 -7.9310 -7.8974 -7.8974 -4.9603 -4.9603 -3.9325 -3.9325 -3.8772 -3.8772 0.9068 0.9068 4.5659 4.5659 5.6199 5.6199 7.3557 7.3557 7.3730 7.3730 8.0463 8.0463 8.1966 8.1966 8.2107 8.2107 9.7810 9.7810 17.3260 17.3260 18.2587 18.2587 18.3951 18.3951 18.5709 18.5709 k = 0.5000 0.5000 0.0833 ( 2016 PWs) bands (ev): -22.3577 -22.3577 -7.9487 -7.9487 -7.9249 -7.9249 -7.8920 -7.8920 -4.9701 -4.9701 -3.9429 -3.9429 -3.8877 -3.8877 0.8342 0.8342 4.6554 4.6554 5.6413 5.6413 7.3250 7.3250 7.3461 7.3461 8.0467 8.0467 8.2445 8.2445 8.2558 8.2558 9.7827 9.7827 17.3272 17.3272 18.2420 18.2420 18.3286 18.3286 18.5000 18.5000 k = 0.5000 0.5000 0.0952 ( 2020 PWs) bands (ev): -22.3571 -22.3571 -7.9416 -7.9416 -7.9179 -7.9179 -7.8857 -7.8857 -4.9813 -4.9813 -3.9547 -3.9547 -3.8996 -3.8996 0.7551 0.7551 4.7537 4.7537 5.6657 5.6657 7.2937 7.2937 7.3184 7.3184 8.0472 8.0472 8.2955 8.2955 8.3042 8.3042 9.7846 9.7846 17.3272 17.3272 18.2247 18.2247 18.2565 18.2565 18.4192 18.4192 k = 0.5000 0.5000 0.1071 ( 2020 PWs) bands (ev): -22.3565 -22.3565 -7.9336 -7.9336 -7.9101 -7.9101 -7.8787 -7.8787 -4.9938 -4.9938 -3.9679 -3.9679 -3.9129 -3.9129 0.6708 0.6708 4.8597 4.8597 5.6928 5.6928 7.2621 7.2621 7.2905 7.2905 8.0478 8.0478 8.3492 8.3492 8.3554 8.3554 9.7867 9.7867 17.3251 17.3251 18.1789 18.1789 18.2086 18.2086 18.3339 18.3339 k = 0.5000 0.5000 0.1190 ( 2020 PWs) bands (ev): -22.3559 -22.3559 -7.9248 -7.9248 -7.9015 -7.9015 -7.8709 -7.8709 -5.0075 -5.0075 -3.9823 -3.9823 -3.9276 -3.9276 0.5824 0.5824 4.9721 4.9721 5.7226 5.7226 7.2308 7.2308 7.2627 7.2627 8.0484 8.0484 8.4050 8.4050 8.4089 8.4089 9.7891 9.7891 17.3203 17.3203 18.0981 18.0981 18.1933 18.1933 18.2452 18.2452 k = 0.5000 0.5000 0.1310 ( 2020 PWs) bands (ev): -22.3551 -22.3551 -7.9151 -7.9151 -7.8921 -7.8921 -7.8624 -7.8624 -5.0224 -5.0224 -3.9978 -3.9978 -3.9436 -3.9436 0.4909 0.4909 5.0899 5.0899 5.7550 5.7550 7.1999 7.1999 7.2353 7.2353 8.0491 8.0491 8.4625 8.4625 8.4644 8.4644 9.7916 9.7916 17.3119 17.3119 18.0140 18.0140 18.1539 18.1539 18.1808 18.1808 k = 0.5000 0.5000 0.1429 ( 2020 PWs) bands (ev): -22.3544 -22.3544 -7.9046 -7.9046 -7.8819 -7.8819 -7.8532 -7.8532 -5.0385 -5.0385 -4.0145 -4.0145 -3.9607 -3.9607 0.3971 0.3971 5.2121 5.2121 5.7896 5.7896 7.1697 7.1697 7.2085 7.2085 8.0498 8.0498 8.5214 8.5214 8.5215 8.5215 9.7944 9.7944 17.2990 17.2990 17.9275 17.9275 18.0607 18.0607 18.1721 18.1721 k = 0.5000 0.5000 0.1548 ( 2020 PWs) bands (ev): -22.3535 -22.3535 -7.8934 -7.8934 -7.8711 -7.8711 -7.8434 -7.8434 -5.0556 -5.0556 -4.0322 -4.0322 -3.9790 -3.9790 0.3018 0.3018 5.3378 5.3378 5.8263 5.8263 7.1404 7.1404 7.1825 7.1825 8.0506 8.0506 8.5798 8.5798 8.5816 8.5816 9.7973 9.7973 17.2809 17.2809 17.8390 17.8390 17.9661 17.9661 18.1681 18.1681 k = 0.5000 0.5000 0.1667 ( 2028 PWs) bands (ev): -22.3527 -22.3527 -7.8814 -7.8814 -7.8596 -7.8596 -7.8330 -7.8330 -5.0737 -5.0737 -4.0507 -4.0507 -3.9982 -3.9982 0.2058 0.2058 5.4663 5.4663 5.8650 5.8650 7.1119 7.1119 7.1573 7.1573 8.0514 8.0514 8.6392 8.6392 8.6427 8.6427 9.8003 9.8003 17.2570 17.2570 17.7491 17.7491 17.8705 17.8705 18.1696 18.1696 k = 0.5000 0.5000 0.1786 ( 2028 PWs) bands (ev): -22.3518 -22.3518 -7.8688 -7.8688 -7.8475 -7.8475 -7.8220 -7.8220 -5.0926 -5.0926 -4.0701 -4.0701 -4.0184 -4.0184 0.1095 0.1095 5.5970 5.5970 5.9054 5.9054 7.0845 7.0845 7.1330 7.1330 8.0522 8.0522 8.6995 8.6995 8.7044 8.7044 9.8036 9.8036 17.2272 17.2272 17.6584 17.6584 17.7745 17.7745 18.1773 18.1773 k = 0.5000 0.5000 0.1905 ( 2028 PWs) bands (ev): -22.3508 -22.3508 -7.8555 -7.8555 -7.8349 -7.8349 -7.8105 -7.8105 -5.1123 -5.1123 -4.0901 -4.0901 -4.0395 -4.0395 0.0135 0.0135 5.7291 5.7291 5.9472 5.9472 7.0582 7.0582 7.1097 7.1097 8.0531 8.0531 8.7604 8.7604 8.7667 8.7667 9.8069 9.8069 17.1914 17.1914 17.5673 17.5673 17.6783 17.6783 18.1914 18.1914 k = 0.5000 0.5000 0.2024 ( 2024 PWs) bands (ev): -22.3499 -22.3499 -7.8417 -7.8417 -7.8218 -7.8218 -7.7984 -7.7984 -5.1327 -5.1327 -4.1106 -4.1106 -4.0612 -4.0612 -0.0818 -0.0818 5.8620 5.8620 5.9902 5.9902 7.0330 7.0330 7.0874 7.0874 8.0540 8.0540 8.8218 8.8218 8.8292 8.8292 9.8103 9.8103 17.1499 17.1499 17.4761 17.4761 17.5824 17.5824 18.2117 18.2117 k = 0.5000 0.5000 0.2143 ( 2024 PWs) bands (ev): -22.3489 -22.3489 -7.8273 -7.8273 -7.8083 -7.8083 -7.7860 -7.7860 -5.1537 -5.1537 -4.1316 -4.1316 -4.0835 -4.0835 -0.1759 -0.1759 5.9953 5.9953 6.0343 6.0343 7.0090 7.0090 7.0662 7.0662 8.0549 8.0549 8.8834 8.8834 8.8918 8.8918 9.8139 9.8139 17.1032 17.1032 17.3854 17.3854 17.4870 17.4870 18.2383 18.2383 k = 0.5000 0.5000 0.2262 ( 2024 PWs) bands (ev): -22.3479 -22.3479 -7.8125 -7.8125 -7.7944 -7.7944 -7.7732 -7.7732 -5.1752 -5.1752 -4.1529 -4.1529 -4.1063 -4.1063 -0.2686 -0.2686 6.0791 6.0791 6.1283 6.1283 6.9861 6.9861 7.0461 7.0461 8.0559 8.0559 8.9450 8.9450 8.9544 8.9544 9.8175 9.8175 17.0517 17.0517 17.2955 17.2955 17.3925 17.3925 18.2707 18.2707 k = 0.5000 0.5000 0.2381 ( 2016 PWs) bands (ev): -22.3468 -22.3468 -7.7973 -7.7973 -7.7803 -7.7803 -7.7600 -7.7600 -5.1970 -5.1970 -4.1743 -4.1743 -4.1295 -4.1295 -0.3594 -0.3594 6.1243 6.1243 6.2607 6.2607 6.9645 6.9645 7.0270 7.0270 8.0568 8.0568 9.0065 9.0065 9.0167 9.0167 9.8211 9.8211 16.9962 16.9962 17.2069 17.2069 17.2992 17.2992 18.3085 18.3085 k = 0.5000 0.5000 0.2500 ( 2016 PWs) bands (ev): -22.3458 -22.3458 -7.7817 -7.7817 -7.7661 -7.7661 -7.7466 -7.7466 -5.2192 -5.2192 -4.1959 -4.1959 -4.1530 -4.1530 -0.4481 -0.4481 6.1698 6.1698 6.3919 6.3919 6.9440 6.9440 7.0089 7.0089 8.0578 8.0578 9.0676 9.0676 9.0785 9.0785 9.8248 9.8248 16.9372 16.9372 17.1199 17.1199 17.2072 17.2072 18.3514 18.3514 k = 0.5000 0.5000 0.2619 ( 2016 PWs) bands (ev): -22.3448 -22.3448 -7.7659 -7.7659 -7.7517 -7.7517 -7.7330 -7.7330 -5.2415 -5.2415 -4.2174 -4.2174 -4.1765 -4.1765 -0.5344 -0.5344 6.2152 6.2152 6.5215 6.5215 6.9248 6.9248 6.9919 6.9919 8.0587 8.0587 9.1281 9.1281 9.1396 9.1396 9.8284 9.8284 16.8753 16.8753 17.0349 17.0349 17.1170 17.1170 18.3990 18.3990 k = 0.5000 0.5000 0.2738 ( 2008 PWs) bands (ev): -22.3438 -22.3438 -7.7499 -7.7499 -7.7373 -7.7373 -7.7192 -7.7192 -5.2638 -5.2638 -4.2387 -4.2387 -4.2001 -4.2001 -0.6180 -0.6180 6.2603 6.2603 6.6489 6.6489 6.9068 6.9068 6.9760 6.9760 8.0597 8.0597 9.1878 9.1878 9.1998 9.1998 9.8321 9.8321 16.8110 16.8110 16.9524 16.9524 17.0288 17.0288 18.4509 18.4509 k = 0.5000 0.5000 0.2857 ( 2008 PWs) bands (ev): -22.3428 -22.3428 -7.7339 -7.7339 -7.7230 -7.7230 -7.7054 -7.7054 -5.2861 -5.2861 -4.2598 -4.2598 -4.2235 -4.2235 -0.6988 -0.6988 6.3049 6.3049 6.7736 6.7736 6.8900 6.8900 6.9611 6.9611 8.0606 8.0606 9.2465 9.2465 9.2590 9.2590 9.8357 9.8357 16.7449 16.7449 16.8726 16.8726 16.9429 16.9429 18.5069 18.5069 k = 0.5000 0.5000 0.2976 ( 2000 PWs) bands (ev): -22.3418 -22.3418 -7.7178 -7.7178 -7.7088 -7.7088 -7.6916 -7.6916 -5.3082 -5.3082 -4.2805 -4.2805 -4.2466 -4.2466 -0.7765 -0.7765 6.3485 6.3485 6.8744 6.8744 6.8947 6.8947 6.9479 6.9479 8.0615 8.0615 9.3039 9.3039 9.3168 9.3168 9.8393 9.8393 16.6776 16.6776 16.7959 16.7959 16.8595 16.8595 18.5666 18.5666 k = 0.5000 0.5000 0.3095 ( 2000 PWs) bands (ev): -22.3408 -22.3408 -7.7019 -7.7019 -7.6949 -7.6949 -7.6779 -7.6779 -5.3299 -5.3299 -4.3006 -4.3006 -4.2693 -4.2693 -0.8509 -0.8509 6.3910 6.3910 6.8602 6.8602 6.9331 6.9331 7.0148 7.0148 8.0624 8.0624 9.3599 9.3599 9.3731 9.3731 9.8428 9.8428 16.6098 16.6098 16.7224 16.7224 16.7789 16.7789 18.6297 18.6297 k = 0.5000 0.5000 0.3214 ( 2008 PWs) bands (ev): -22.3399 -22.3399 -7.6861 -7.6861 -7.6813 -7.6813 -7.6643 -7.6643 -5.3513 -5.3513 -4.3201 -4.3201 -4.2915 -4.2915 -0.9218 -0.9218 6.4319 6.4319 6.8472 6.8472 6.9214 6.9214 7.1288 7.1288 8.0633 8.0633 9.4142 9.4142 9.4276 9.4276 9.8462 9.8462 16.5422 16.5422 16.6521 16.6521 16.7013 16.7013 18.6961 18.6961 k = 0.5000 0.5000 0.3333 ( 2016 PWs) bands (ev): -22.3390 -22.3390 -7.6707 -7.6707 -7.6682 -7.6682 -7.6511 -7.6511 -5.3721 -5.3721 -4.3390 -4.3390 -4.3131 -4.3131 -0.9891 -0.9891 6.4712 6.4712 6.8356 6.8356 6.9103 6.9103 7.2387 7.2387 8.0642 8.0642 9.4666 9.4666 9.4801 9.4801 9.8495 9.8495 16.4757 16.4757 16.5851 16.5851 16.6271 16.6271 18.7655 18.7655 k = 0.5000 0.5000 0.3452 ( 2000 PWs) bands (ev): -22.3381 -22.3381 -7.6556 -7.6556 -7.6555 -7.6555 -7.6382 -7.6382 -5.3922 -5.3922 -4.3569 -4.3569 -4.3338 -4.3338 -1.0525 -1.0525 6.5083 6.5083 6.8255 6.8255 6.9001 6.9001 7.3438 7.3438 8.0650 8.0650 9.5168 9.5168 9.5304 9.5304 9.8527 9.8527 16.4109 16.4109 16.5213 16.5213 16.5566 16.5566 18.8378 18.8378 k = 0.5000 0.5000 0.3571 ( 2000 PWs) bands (ev): -22.3372 -22.3372 -7.6433 -7.6433 -7.6410 -7.6410 -7.6257 -7.6257 -5.4115 -5.4115 -4.3740 -4.3740 -4.3536 -4.3536 -1.1120 -1.1120 6.5429 6.5429 6.8169 6.8169 6.8907 6.8907 7.4436 7.4436 8.0658 8.0658 9.5645 9.5645 9.5783 9.5783 9.8558 9.8558 16.3486 16.3486 16.4609 16.4609 16.4899 16.4899 18.9125 18.9125 k = 0.5000 0.5000 0.3690 ( 1984 PWs) bands (ev): -22.3365 -22.3365 -7.6318 -7.6318 -7.6271 -7.6271 -7.6138 -7.6138 -5.4298 -5.4298 -4.3900 -4.3900 -4.3724 -4.3724 -1.1672 -1.1672 6.5746 6.5746 6.8101 6.8101 6.8822 6.8822 7.5375 7.5375 8.0665 8.0665 9.6096 9.6096 9.6234 9.6234 9.8587 9.8587 16.2893 16.2893 16.4040 16.4040 16.4273 16.4273 18.9896 18.9896 k = 0.5000 0.5000 0.3810 ( 1984 PWs) bands (ev): -22.3357 -22.3357 -7.6210 -7.6210 -7.6139 -7.6139 -7.6026 -7.6026 -5.4471 -5.4471 -4.4050 -4.4050 -4.3900 -4.3900 -1.2182 -1.2182 6.6029 6.6029 6.8053 6.8053 6.8745 6.8745 7.6252 7.6252 8.0672 8.0672 9.6518 9.6518 9.6656 9.6656 9.8614 9.8614 16.2336 16.2336 16.3507 16.3507 16.3692 16.3692 19.0688 19.0688 k = 0.5000 0.5000 0.3929 ( 1984 PWs) bands (ev): -22.3351 -22.3351 -7.6110 -7.6110 -7.6015 -7.6015 -7.5921 -7.5921 -5.4631 -5.4631 -4.4188 -4.4188 -4.4063 -4.4063 -1.2648 -1.2648 6.6274 6.6274 6.8027 6.8027 6.8676 6.8676 7.7062 7.7062 8.0678 8.0678 9.6908 9.6908 9.7046 9.7046 9.8639 9.8639 16.1818 16.1818 16.3014 16.3014 16.3157 16.3157 19.1497 19.1497 k = 0.5000 0.5000 0.4048 ( 1976 PWs) bands (ev): -22.3344 -22.3344 -7.6018 -7.6018 -7.5901 -7.5901 -7.5825 -7.5825 -5.4779 -5.4779 -4.4313 -4.4313 -4.4212 -4.4212 -1.3068 -1.3068 6.6476 6.6476 6.8028 6.8028 6.8614 6.8614 7.7801 7.7801 8.0683 8.0683 9.7264 9.7264 9.7402 9.7402 9.8662 9.8662 16.1344 16.1344 16.2563 16.2563 16.2670 16.2670 19.2321 19.2321 k = 0.5000 0.5000 0.4167 ( 1976 PWs) bands (ev): -22.3339 -22.3339 -7.5936 -7.5936 -7.5798 -7.5798 -7.5738 -7.5738 -5.4912 -5.4912 -4.4425 -4.4425 -4.4346 -4.4346 -1.3441 -1.3441 6.6633 6.6633 6.8054 6.8054 6.8561 6.8561 7.8463 7.8463 8.0688 8.0688 9.7583 9.7583 9.7722 9.7722 9.8683 9.8683 16.0917 16.0917 16.2157 16.2157 16.2235 16.2235 19.3153 19.3153 k = 0.5000 0.5000 0.4286 ( 1984 PWs) bands (ev): -22.3334 -22.3334 -7.5863 -7.5863 -7.5706 -7.5706 -7.5661 -7.5661 -5.5030 -5.5030 -4.4523 -4.4523 -4.4464 -4.4464 -1.3767 -1.3767 6.6745 6.6745 6.8102 6.8102 6.8514 6.8514 7.9046 7.9046 8.0693 8.0693 9.7863 9.7863 9.8004 9.8004 9.8703 9.8703 16.0541 16.0541 16.1799 16.1799 16.1853 16.1853 19.3989 19.3989 k = 0.5000 0.5000 0.4405 ( 1988 PWs) bands (ev): -22.3330 -22.3330 -7.5800 -7.5800 -7.5626 -7.5626 -7.5594 -7.5594 -5.5132 -5.5132 -4.4607 -4.4607 -4.4566 -4.4566 -1.4044 -1.4044 6.6821 6.6821 6.8166 6.8166 6.8476 6.8476 7.9546 7.9546 8.0697 8.0697 9.8102 9.8102 9.8246 9.8246 9.8722 9.8722 16.0218 16.0218 16.1490 16.1490 16.1527 16.1527 19.4819 19.4819 k = 0.5000 0.5000 0.4524 ( 1996 PWs) bands (ev): -22.3327 -22.3327 -7.5748 -7.5748 -7.5560 -7.5560 -7.5539 -7.5539 -5.5217 -5.5217 -4.4677 -4.4677 -4.4650 -4.4650 -1.4272 -1.4272 6.6869 6.6869 6.8233 6.8233 6.8444 6.8444 7.9960 7.9960 8.0700 8.0700 9.8297 9.8297 9.8446 9.8446 9.8740 9.8740 15.9950 15.9950 16.1235 16.1235 16.1257 16.1257 19.5629 19.5629 k = 0.5000 0.5000 0.4643 ( 2008 PWs) bands (ev): -22.3324 -22.3324 -7.5707 -7.5707 -7.5508 -7.5508 -7.5496 -7.5496 -5.5283 -5.5283 -4.4731 -4.4731 -4.4716 -4.4716 -1.4450 -1.4450 6.6897 6.6897 6.8296 6.8296 6.8419 6.8419 8.0284 8.0284 8.0702 8.0702 9.8446 9.8446 9.8603 9.8603 9.8759 9.8759 15.9740 15.9740 16.1034 16.1034 16.1046 16.1046 19.6396 19.6396 k = 0.5000 0.5000 0.4762 ( 2008 PWs) bands (ev): -22.3322 -22.3322 -7.5678 -7.5678 -7.5470 -7.5470 -7.5465 -7.5465 -5.5331 -5.5331 -4.4770 -4.4770 -4.4764 -4.4764 -1.4577 -1.4577 6.6913 6.6913 6.8345 6.8345 6.8402 6.8402 8.0517 8.0517 8.0704 8.0704 9.8545 9.8545 9.8716 9.8716 9.8780 9.8780 15.9589 15.9589 16.0889 16.0889 16.0894 16.0894 19.7073 19.7073 k = 0.5000 0.5000 0.4881 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5660 -7.5660 -7.5447 -7.5447 -7.5446 -7.5446 -5.5360 -5.5360 -4.4794 -4.4794 -4.4792 -4.4792 -1.4654 -1.4654 6.6921 6.6921 6.8377 6.8377 6.8391 6.8391 8.0658 8.0658 8.0705 8.0705 9.8599 9.8599 9.8784 9.8784 9.8799 9.8799 15.9498 15.9498 16.0801 16.0801 16.0803 16.0803 19.7575 19.7575 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -22.3321 -22.3321 -7.5654 -7.5654 -7.5439 -7.5439 -7.5439 -7.5439 -5.5370 -5.5370 -4.4802 -4.4802 -4.4802 -4.4802 -1.4679 -1.4679 6.6923 6.6923 6.8388 6.8388 6.8388 6.8388 8.0705 8.0705 8.0705 8.0705 9.8615 9.8615 9.8807 9.8807 9.8807 9.8807 15.9467 15.9467 16.0772 16.0772 16.0772 16.0772 19.7769 19.7769 Writing output data file SrGeO3.save init_run : 0.30s CPU 0.41s WALL ( 1 calls) electrons : 66.73s CPU 68.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 66.72s CPU 68.30s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 322 calls) cegterg : 62.75s CPU 63.91s WALL ( 381 calls) Called by sum_band: Called by *egterg: h_psi : 24.02s CPU 24.82s WALL ( 6739 calls) s_psi : 1.23s CPU 1.39s WALL ( 6739 calls) g_psi : 0.13s CPU 0.09s WALL ( 6036 calls) cdiaghg : 34.52s CPU 34.91s WALL ( 6358 calls) cegterg:over : 2.36s CPU 2.35s WALL ( 6036 calls) cegterg:upda : 1.66s CPU 1.58s WALL ( 6036 calls) cegterg:last : 0.94s CPU 1.01s WALL ( 1120 calls) cdiaghg:chol : 1.64s CPU 1.77s WALL ( 6358 calls) cdiaghg:inve : 0.95s CPU 1.09s WALL ( 6358 calls) cdiaghg:para : 2.06s CPU 1.99s WALL ( 12716 calls) Called by h_psi: h_psi:vloc : 20.44s CPU 21.11s WALL ( 6739 calls) h_psi:vnl : 3.53s CPU 3.65s WALL ( 6739 calls) add_vuspsi : 1.68s CPU 1.76s WALL ( 6739 calls) General routines calbec : 1.83s CPU 1.88s WALL ( 6739 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.78s CPU 19.25s WALL ( 586644 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 644 calls) Parallel routines fft_scatter : 11.74s CPU 12.03s WALL ( 586667 calls) PWSCF : 1m16.36s CPU 1m24.23s WALL This run was terminated on: 18:54:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=