Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34: 9 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: ./CaCd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 21 6 2892 445 76 Max 75 22 7 2895 456 79 Sum 2693 777 241 104199 16135 2777 bravais-lattice index = 14 lattice parameter (alat) = 7.2547 a.u. unit-cell volume = 381.8131 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.254658 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Cd 12.00 112.41100 Cd( 1.00) Ca 10.00 40.07800 Ca( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 104199 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 16135 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 122, 30) NL pseudopotentials 0.06 Mb ( 61, 68) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2894) G-vector shells 0.00 Mb ( 564) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 122, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) The potential is recalculated from file : ./CaCd.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.4 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.5 secs Computing kpt #: 24 total cpu time spent up to now is 8.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.9 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.5 secs Computing kpt #: 29 total cpu time spent up to now is 9.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.0 secs Computing kpt #: 31 total cpu time spent up to now is 10.2 secs Computing kpt #: 32 total cpu time spent up to now is 10.4 secs Computing kpt #: 33 total cpu time spent up to now is 10.7 secs Computing kpt #: 34 total cpu time spent up to now is 10.9 secs Computing kpt #: 35 total cpu time spent up to now is 11.1 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.8 secs Computing kpt #: 38 total cpu time spent up to now is 12.1 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.6 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.2 secs Computing kpt #: 43 total cpu time spent up to now is 13.5 secs Computing kpt #: 44 total cpu time spent up to now is 13.7 secs Computing kpt #: 45 total cpu time spent up to now is 14.0 secs Computing kpt #: 46 total cpu time spent up to now is 14.3 secs Computing kpt #: 47 total cpu time spent up to now is 14.6 secs Computing kpt #: 48 total cpu time spent up to now is 14.8 secs Computing kpt #: 49 total cpu time spent up to now is 15.1 secs Computing kpt #: 50 total cpu time spent up to now is 15.4 secs Computing kpt #: 51 total cpu time spent up to now is 15.6 secs Computing kpt #: 52 total cpu time spent up to now is 15.9 secs Computing kpt #: 53 total cpu time spent up to now is 16.2 secs Computing kpt #: 54 total cpu time spent up to now is 16.4 secs Computing kpt #: 55 total cpu time spent up to now is 16.7 secs Computing kpt #: 56 total cpu time spent up to now is 16.9 secs Computing kpt #: 57 total cpu time spent up to now is 17.2 secs Computing kpt #: 58 total cpu time spent up to now is 17.4 secs Computing kpt #: 59 total cpu time spent up to now is 17.6 secs Computing kpt #: 60 total cpu time spent up to now is 17.8 secs Computing kpt #: 61 total cpu time spent up to now is 18.1 secs Computing kpt #: 62 total cpu time spent up to now is 18.3 secs Computing kpt #: 63 total cpu time spent up to now is 18.5 secs Computing kpt #: 64 total cpu time spent up to now is 18.7 secs Computing kpt #: 65 total cpu time spent up to now is 18.9 secs Computing kpt #: 66 total cpu time spent up to now is 19.1 secs Computing kpt #: 67 total cpu time spent up to now is 19.3 secs Computing kpt #: 68 total cpu time spent up to now is 19.5 secs Computing kpt #: 69 total cpu time spent up to now is 19.7 secs Computing kpt #: 70 total cpu time spent up to now is 20.0 secs Computing kpt #: 71 total cpu time spent up to now is 20.2 secs Computing kpt #: 72 total cpu time spent up to now is 20.5 secs Computing kpt #: 73 total cpu time spent up to now is 20.7 secs Computing kpt #: 74 total cpu time spent up to now is 20.9 secs Computing kpt #: 75 total cpu time spent up to now is 21.2 secs Computing kpt #: 76 total cpu time spent up to now is 21.4 secs Computing kpt #: 77 total cpu time spent up to now is 21.6 secs Computing kpt #: 78 total cpu time spent up to now is 21.8 secs Computing kpt #: 79 total cpu time spent up to now is 22.0 secs Computing kpt #: 80 total cpu time spent up to now is 22.2 secs Computing kpt #: 81 total cpu time spent up to now is 22.5 secs Computing kpt #: 82 total cpu time spent up to now is 22.7 secs Computing kpt #: 83 total cpu time spent up to now is 22.9 secs Computing kpt #: 84 total cpu time spent up to now is 23.1 secs Computing kpt #: 85 total cpu time spent up to now is 23.3 secs Computing kpt #: 86 total cpu time spent up to now is 23.5 secs Computing kpt #: 87 total cpu time spent up to now is 23.7 secs Computing kpt #: 88 total cpu time spent up to now is 24.0 secs Computing kpt #: 89 total cpu time spent up to now is 24.2 secs Computing kpt #: 90 total cpu time spent up to now is 24.4 secs Computing kpt #: 91 total cpu time spent up to now is 24.6 secs Computing kpt #: 92 total cpu time spent up to now is 24.8 secs Computing kpt #: 93 total cpu time spent up to now is 25.0 secs Computing kpt #: 94 total cpu time spent up to now is 25.2 secs Computing kpt #: 95 total cpu time spent up to now is 25.5 secs Computing kpt #: 96 total cpu time spent up to now is 25.7 secs Computing kpt #: 97 total cpu time spent up to now is 26.0 secs Computing kpt #: 98 total cpu time spent up to now is 26.2 secs Computing kpt #: 99 total cpu time spent up to now is 26.4 secs Computing kpt #: 100 total cpu time spent up to now is 26.6 secs Computing kpt #: 101 total cpu time spent up to now is 26.9 secs Computing kpt #: 102 total cpu time spent up to now is 27.1 secs Computing kpt #: 103 total cpu time spent up to now is 27.3 secs Computing kpt #: 104 total cpu time spent up to now is 27.5 secs Computing kpt #: 105 total cpu time spent up to now is 27.7 secs Computing kpt #: 106 total cpu time spent up to now is 27.9 secs Computing kpt #: 107 total cpu time spent up to now is 28.2 secs Computing kpt #: 108 total cpu time spent up to now is 28.4 secs Computing kpt #: 109 total cpu time spent up to now is 28.6 secs Computing kpt #: 110 total cpu time spent up to now is 28.8 secs Computing kpt #: 111 total cpu time spent up to now is 29.1 secs Computing kpt #: 112 total cpu time spent up to now is 29.3 secs Computing kpt #: 113 total cpu time spent up to now is 29.5 secs Computing kpt #: 114 total cpu time spent up to now is 29.7 secs Computing kpt #: 115 total cpu time spent up to now is 30.0 secs Computing kpt #: 116 total cpu time spent up to now is 30.2 secs Computing kpt #: 117 total cpu time spent up to now is 30.4 secs Computing kpt #: 118 total cpu time spent up to now is 30.6 secs Computing kpt #: 119 total cpu time spent up to now is 30.9 secs Computing kpt #: 120 total cpu time spent up to now is 31.1 secs Computing kpt #: 121 total cpu time spent up to now is 31.3 secs Computing kpt #: 122 total cpu time spent up to now is 31.5 secs Computing kpt #: 123 total cpu time spent up to now is 31.7 secs Computing kpt #: 124 total cpu time spent up to now is 31.9 secs Computing kpt #: 125 total cpu time spent up to now is 32.1 secs Computing kpt #: 126 total cpu time spent up to now is 32.4 secs Computing kpt #: 127 total cpu time spent up to now is 32.6 secs Computing kpt #: 128 total cpu time spent up to now is 32.8 secs Computing kpt #: 129 total cpu time spent up to now is 33.1 secs Computing kpt #: 130 total cpu time spent up to now is 33.3 secs Computing kpt #: 131 total cpu time spent up to now is 33.6 secs Computing kpt #: 132 total cpu time spent up to now is 33.9 secs Computing kpt #: 133 total cpu time spent up to now is 34.1 secs Computing kpt #: 134 total cpu time spent up to now is 34.4 secs Computing kpt #: 135 total cpu time spent up to now is 34.6 secs Computing kpt #: 136 total cpu time spent up to now is 34.9 secs Computing kpt #: 137 total cpu time spent up to now is 35.2 secs Computing kpt #: 138 total cpu time spent up to now is 35.5 secs Computing kpt #: 139 total cpu time spent up to now is 35.8 secs Computing kpt #: 140 total cpu time spent up to now is 36.3 secs Computing kpt #: 141 total cpu time spent up to now is 36.5 secs Computing kpt #: 142 total cpu time spent up to now is 36.8 secs Computing kpt #: 143 total cpu time spent up to now is 37.2 secs Computing kpt #: 144 total cpu time spent up to now is 37.7 secs Computing kpt #: 145 total cpu time spent up to now is 38.2 secs Computing kpt #: 146 total cpu time spent up to now is 38.4 secs Computing kpt #: 147 total cpu time spent up to now is 38.7 secs Computing kpt #: 148 total cpu time spent up to now is 38.9 secs Computing kpt #: 149 total cpu time spent up to now is 39.1 secs Computing kpt #: 150 total cpu time spent up to now is 39.4 secs Computing kpt #: 151 total cpu time spent up to now is 39.6 secs Computing kpt #: 152 total cpu time spent up to now is 39.9 secs Computing kpt #: 153 total cpu time spent up to now is 40.1 secs Computing kpt #: 154 total cpu time spent up to now is 40.3 secs Computing kpt #: 155 total cpu time spent up to now is 40.5 secs Computing kpt #: 156 total cpu time spent up to now is 40.7 secs Computing kpt #: 157 total cpu time spent up to now is 40.9 secs Computing kpt #: 158 total cpu time spent up to now is 41.1 secs Computing kpt #: 159 total cpu time spent up to now is 41.3 secs Computing kpt #: 160 total cpu time spent up to now is 41.5 secs Computing kpt #: 161 total cpu time spent up to now is 41.7 secs Computing kpt #: 162 total cpu time spent up to now is 41.9 secs Computing kpt #: 163 total cpu time spent up to now is 42.1 secs Computing kpt #: 164 total cpu time spent up to now is 42.3 secs Computing kpt #: 165 total cpu time spent up to now is 42.5 secs Computing kpt #: 166 total cpu time spent up to now is 42.7 secs Computing kpt #: 167 total cpu time spent up to now is 42.9 secs Computing kpt #: 168 total cpu time spent up to now is 43.0 secs Computing kpt #: 169 total cpu time spent up to now is 43.2 secs Computing kpt #: 170 total cpu time spent up to now is 43.4 secs Computing kpt #: 171 total cpu time spent up to now is 43.6 secs Computing kpt #: 172 total cpu time spent up to now is 43.8 secs Computing kpt #: 173 total cpu time spent up to now is 44.0 secs Computing kpt #: 174 total cpu time spent up to now is 44.1 secs Computing kpt #: 175 total cpu time spent up to now is 44.3 secs Computing kpt #: 176 total cpu time spent up to now is 44.5 secs Computing kpt #: 177 total cpu time spent up to now is 44.7 secs Computing kpt #: 178 total cpu time spent up to now is 44.9 secs Computing kpt #: 179 total cpu time spent up to now is 45.1 secs Computing kpt #: 180 total cpu time spent up to now is 45.3 secs Computing kpt #: 181 total cpu time spent up to now is 45.5 secs Computing kpt #: 182 total cpu time spent up to now is 45.7 secs Computing kpt #: 183 total cpu time spent up to now is 45.8 secs Computing kpt #: 184 total cpu time spent up to now is 46.0 secs Computing kpt #: 185 total cpu time spent up to now is 46.2 secs Computing kpt #: 186 total cpu time spent up to now is 46.5 secs Computing kpt #: 187 total cpu time spent up to now is 46.7 secs Computing kpt #: 188 total cpu time spent up to now is 46.9 secs Computing kpt #: 189 total cpu time spent up to now is 47.1 secs Computing kpt #: 190 total cpu time spent up to now is 47.3 secs Computing kpt #: 191 total cpu time spent up to now is 47.6 secs Computing kpt #: 192 total cpu time spent up to now is 47.8 secs Computing kpt #: 193 total cpu time spent up to now is 48.1 secs Computing kpt #: 194 total cpu time spent up to now is 48.3 secs Computing kpt #: 195 total cpu time spent up to now is 48.5 secs Computing kpt #: 196 total cpu time spent up to now is 48.9 secs Computing kpt #: 197 total cpu time spent up to now is 49.1 secs Computing kpt #: 198 total cpu time spent up to now is 49.3 secs Computing kpt #: 199 total cpu time spent up to now is 49.5 secs Computing kpt #: 200 total cpu time spent up to now is 49.9 secs Computing kpt #: 201 total cpu time spent up to now is 50.2 secs Computing kpt #: 202 total cpu time spent up to now is 50.5 secs Computing kpt #: 203 total cpu time spent up to now is 50.8 secs Computing kpt #: 204 total cpu time spent up to now is 51.1 secs Computing kpt #: 205 total cpu time spent up to now is 51.4 secs Computing kpt #: 206 total cpu time spent up to now is 51.7 secs Computing kpt #: 207 total cpu time spent up to now is 52.1 secs Computing kpt #: 208 total cpu time spent up to now is 52.4 secs Computing kpt #: 209 total cpu time spent up to now is 52.7 secs Computing kpt #: 210 total cpu time spent up to now is 53.1 secs Computing kpt #: 211 total cpu time spent up to now is 53.5 secs Computing kpt #: 212 total cpu time spent up to now is 53.9 secs Computing kpt #: 213 total cpu time spent up to now is 54.3 secs Computing kpt #: 214 total cpu time spent up to now is 54.6 secs Computing kpt #: 215 total cpu time spent up to now is 55.0 secs Computing kpt #: 216 total cpu time spent up to now is 55.2 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.8 secs Computing kpt #: 218 total cpu time spent up to now is 56.2 secs Computing kpt #: 219 total cpu time spent up to now is 56.5 secs Computing kpt #: 220 total cpu time spent up to now is 56.8 secs Computing kpt #: 221 total cpu time spent up to now is 57.1 secs Computing kpt #: 222 total cpu time spent up to now is 57.4 secs Computing kpt #: 223 total cpu time spent up to now is 57.7 secs Computing kpt #: 224 total cpu time spent up to now is 57.9 secs Computing kpt #: 225 total cpu time spent up to now is 58.2 secs Computing kpt #: 226 total cpu time spent up to now is 58.4 secs Computing kpt #: 227 total cpu time spent up to now is 58.7 secs Computing kpt #: 228 total cpu time spent up to now is 58.9 secs Computing kpt #: 229 total cpu time spent up to now is 59.2 secs Computing kpt #: 230 total cpu time spent up to now is 59.4 secs Computing kpt #: 231 total cpu time spent up to now is 59.6 secs Computing kpt #: 232 total cpu time spent up to now is 59.9 secs Computing kpt #: 233 total cpu time spent up to now is 60.1 secs Computing kpt #: 234 total cpu time spent up to now is 60.3 secs Computing kpt #: 235 total cpu time spent up to now is 60.5 secs Computing kpt #: 236 total cpu time spent up to now is 60.7 secs Computing kpt #: 237 total cpu time spent up to now is 60.9 secs Computing kpt #: 238 total cpu time spent up to now is 61.1 secs Computing kpt #: 239 total cpu time spent up to now is 61.3 secs Computing kpt #: 240 total cpu time spent up to now is 61.5 secs Computing kpt #: 241 total cpu time spent up to now is 61.7 secs Computing kpt #: 242 total cpu time spent up to now is 61.9 secs Computing kpt #: 243 total cpu time spent up to now is 62.2 secs Computing kpt #: 244 total cpu time spent up to now is 62.3 secs Computing kpt #: 245 total cpu time spent up to now is 62.5 secs Computing kpt #: 246 total cpu time spent up to now is 62.7 secs Computing kpt #: 247 total cpu time spent up to now is 63.0 secs Computing kpt #: 248 total cpu time spent up to now is 63.2 secs Computing kpt #: 249 total cpu time spent up to now is 63.4 secs Computing kpt #: 250 total cpu time spent up to now is 63.6 secs Computing kpt #: 251 total cpu time spent up to now is 63.7 secs Computing kpt #: 252 total cpu time spent up to now is 63.9 secs Computing kpt #: 253 total cpu time spent up to now is 64.1 secs Computing kpt #: 254 total cpu time spent up to now is 64.3 secs Computing kpt #: 255 total cpu time spent up to now is 64.5 secs Computing kpt #: 256 total cpu time spent up to now is 64.7 secs Computing kpt #: 257 total cpu time spent up to now is 64.9 secs Computing kpt #: 258 total cpu time spent up to now is 65.2 secs Computing kpt #: 259 total cpu time spent up to now is 65.4 secs Computing kpt #: 260 total cpu time spent up to now is 65.6 secs Computing kpt #: 261 total cpu time spent up to now is 65.8 secs Computing kpt #: 262 total cpu time spent up to now is 66.1 secs Computing kpt #: 263 total cpu time spent up to now is 66.4 secs Computing kpt #: 264 total cpu time spent up to now is 66.6 secs Computing kpt #: 265 total cpu time spent up to now is 66.9 secs Computing kpt #: 266 total cpu time spent up to now is 67.2 secs Computing kpt #: 267 total cpu time spent up to now is 67.5 secs Computing kpt #: 268 total cpu time spent up to now is 67.8 secs Computing kpt #: 269 total cpu time spent up to now is 68.1 secs Computing kpt #: 270 total cpu time spent up to now is 68.4 secs Computing kpt #: 271 total cpu time spent up to now is 68.7 secs Computing kpt #: 272 total cpu time spent up to now is 68.9 secs Computing kpt #: 273 total cpu time spent up to now is 69.2 secs Computing kpt #: 274 total cpu time spent up to now is 69.5 secs Computing kpt #: 275 total cpu time spent up to now is 69.8 secs Computing kpt #: 276 total cpu time spent up to now is 70.0 secs Computing kpt #: 277 total cpu time spent up to now is 70.2 secs Computing kpt #: 278 total cpu time spent up to now is 70.4 secs Computing kpt #: 279 total cpu time spent up to now is 70.7 secs Computing kpt #: 280 total cpu time spent up to now is 70.9 secs Computing kpt #: 281 total cpu time spent up to now is 71.2 secs Computing kpt #: 282 total cpu time spent up to now is 71.4 secs Computing kpt #: 283 total cpu time spent up to now is 71.6 secs Computing kpt #: 284 total cpu time spent up to now is 71.8 secs Computing kpt #: 285 total cpu time spent up to now is 72.2 secs Computing kpt #: 286 total cpu time spent up to now is 72.5 secs Computing kpt #: 287 total cpu time spent up to now is 72.7 secs Computing kpt #: 288 total cpu time spent up to now is 73.0 secs Computing kpt #: 289 total cpu time spent up to now is 73.3 secs Computing kpt #: 290 total cpu time spent up to now is 73.5 secs Computing kpt #: 291 total cpu time spent up to now is 73.9 secs Computing kpt #: 292 total cpu time spent up to now is 74.1 secs Computing kpt #: 293 total cpu time spent up to now is 74.3 secs Computing kpt #: 294 total cpu time spent up to now is 74.5 secs Computing kpt #: 295 total cpu time spent up to now is 74.7 secs Computing kpt #: 296 total cpu time spent up to now is 74.9 secs Computing kpt #: 297 total cpu time spent up to now is 75.1 secs Computing kpt #: 298 total cpu time spent up to now is 75.3 secs Computing kpt #: 299 total cpu time spent up to now is 75.5 secs Computing kpt #: 300 total cpu time spent up to now is 75.7 secs Computing kpt #: 301 total cpu time spent up to now is 75.9 secs Computing kpt #: 302 total cpu time spent up to now is 76.1 secs Computing kpt #: 303 total cpu time spent up to now is 76.3 secs Computing kpt #: 304 total cpu time spent up to now is 76.5 secs Computing kpt #: 305 total cpu time spent up to now is 76.7 secs Computing kpt #: 306 total cpu time spent up to now is 76.9 secs Computing kpt #: 307 total cpu time spent up to now is 77.3 secs Computing kpt #: 308 total cpu time spent up to now is 77.8 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.4 secs Computing kpt #: 310 total cpu time spent up to now is 78.8 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 312 total cpu time spent up to now is 79.8 secs Computing kpt #: 313 total cpu time spent up to now is 80.1 secs Computing kpt #: 314 total cpu time spent up to now is 80.5 secs Computing kpt #: 315 total cpu time spent up to now is 81.0 secs Computing kpt #: 316 total cpu time spent up to now is 81.5 secs ethr = 4.55E-08, avg # of iterations = 35.5 total cpu time spent up to now is 81.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1760 -14.1760 -14.1760 -14.1760 -0.8418 -0.8418 -0.8418 -0.8418 -0.1675 -0.1675 -0.1675 -0.1675 -0.0458 -0.0458 1.9344 1.9344 9.6077 9.6077 9.6077 9.6077 12.0877 12.0877 12.2798 12.4641 12.4641 12.4642 k = 0.0000 0.0122-0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1761 -14.1761 -14.1760 -14.1760 -0.8418 -0.8418 -0.8417 -0.8417 -0.1675 -0.1675 -0.1674 -0.1674 -0.0459 -0.0459 1.9361 1.9361 9.6048 9.6048 9.6081 9.6081 12.0640 12.0640 12.2546 12.2547 12.2885 12.2886 k = 0.0000 0.0244-0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5555 -14.5555 -14.1764 -14.1764 -14.1760 -14.1760 -0.8417 -0.8417 -0.8413 -0.8413 -0.1675 -0.1675 -0.1672 -0.1672 -0.0461 -0.0461 1.9412 1.9412 9.5961 9.5961 9.6091 9.6091 12.0096 12.0096 12.1867 12.1867 12.2870 12.2920 k = 0.0000 0.0366-0.0000 ( 1991 PWs) bands (ev): -33.3326 -33.3326 -14.5556 -14.5556 -14.1768 -14.1768 -14.1758 -14.1758 -0.8415 -0.8415 -0.8405 -0.8405 -0.1673 -0.1673 -0.1665 -0.1665 -0.0461 -0.0461 1.9497 1.9497 9.5814 9.5814 9.6109 9.6109 11.9434 11.9434 12.1103 12.1103 12.2791 12.2793 k = 0.0000 0.0488-0.0000 ( 1991 PWs) bands (ev): -33.3325 -33.3325 -14.5559 -14.5559 -14.1775 -14.1775 -14.1757 -14.1757 -0.8413 -0.8413 -0.8397 -0.8397 -0.1671 -0.1671 -0.1659 -0.1659 -0.0465 -0.0465 1.9617 1.9617 9.5600 9.5600 9.6133 9.6133 11.8731 11.8731 12.0322 12.0322 12.2448 12.2448 k = 0.0000 0.0610-0.0000 ( 1991 PWs) bands (ev): -33.3325 -33.3325 -14.5562 -14.5562 -14.1783 -14.1783 -14.1756 -14.1756 -0.8411 -0.8411 -0.8387 -0.8387 -0.1669 -0.1669 -0.1652 -0.1652 -0.0470 -0.0470 1.9770 1.9770 9.5317 9.5317 9.6164 9.6164 11.8016 11.8016 11.9545 11.9545 12.1990 12.1990 k = 0.0000 0.0732-0.0000 ( 1999 PWs) bands (ev): -33.3324 -33.3324 -14.5567 -14.5567 -14.1794 -14.1794 -14.1755 -14.1755 -0.8410 -0.8410 -0.8374 -0.8374 -0.1668 -0.1668 -0.1643 -0.1643 -0.0478 -0.0478 1.9958 1.9958 9.4957 9.4957 9.6201 9.6201 11.7304 11.7304 11.8777 11.8777 12.1467 12.1467 k = 0.0000 0.0854-0.0000 ( 1999 PWs) bands (ev): -33.3323 -33.3323 -14.5572 -14.5572 -14.1806 -14.1806 -14.1754 -14.1754 -0.8408 -0.8408 -0.8359 -0.8359 -0.1666 -0.1666 -0.1631 -0.1631 -0.0485 -0.0485 2.0180 2.0180 9.4515 9.4515 9.6245 9.6245 11.6601 11.6601 11.8023 11.8023 12.0916 12.0916 k = 0.0000 0.0976-0.0000 ( 1999 PWs) bands (ev): -33.3321 -33.3321 -14.5578 -14.5578 -14.1820 -14.1820 -14.1752 -14.1752 -0.8405 -0.8405 -0.8342 -0.8342 -0.1664 -0.1664 -0.1617 -0.1617 -0.0493 -0.0493 2.0435 2.0435 9.3984 9.3984 9.6296 9.6296 11.5911 11.5911 11.7284 11.7284 12.0370 12.0370 k = 0.0000 0.1098-0.0000 ( 1999 PWs) bands (ev): -33.3320 -33.3320 -14.5585 -14.5585 -14.1835 -14.1835 -14.1750 -14.1750 -0.8402 -0.8402 -0.8323 -0.8323 -0.1662 -0.1662 -0.1601 -0.1601 -0.0501 -0.0501 2.0724 2.0724 9.3358 9.3358 9.6353 9.6353 11.5236 11.5236 11.6561 11.6561 11.9856 11.9856 k = 0.0000 0.1220-0.0000 ( 2007 PWs) bands (ev): -33.3318 -33.3318 -14.5593 -14.5593 -14.1852 -14.1852 -14.1749 -14.1749 -0.8400 -0.8400 -0.8304 -0.8304 -0.1661 -0.1661 -0.1585 -0.1585 -0.0512 -0.0512 2.1047 2.1047 9.2634 9.2634 9.6414 9.6414 11.4575 11.4575 11.5854 11.5854 11.9396 11.9396 k = 0.0000 0.1341-0.0000 ( 2007 PWs) bands (ev): -33.3317 -33.3317 -14.5601 -14.5601 -14.1869 -14.1869 -14.1747 -14.1747 -0.8396 -0.8396 -0.8282 -0.8282 -0.1658 -0.1658 -0.1565 -0.1565 -0.0522 -0.0522 2.1404 2.1404 9.1810 9.1810 9.6482 9.6482 11.3931 11.3931 11.5165 11.5165 11.9006 11.9006 k = 0.0000 0.1463-0.0000 ( 2007 PWs) bands (ev): -33.3315 -33.3315 -14.5610 -14.5610 -14.1888 -14.1888 -14.1744 -14.1744 -0.8393 -0.8393 -0.8260 -0.8260 -0.1655 -0.1655 -0.1544 -0.1544 -0.0533 -0.0533 2.1795 2.1795 9.0889 9.0889 9.6556 9.6556 11.3301 11.3301 11.4494 11.4494 11.8699 11.8699 k = 0.0000 0.1585-0.0000 ( 2007 PWs) bands (ev): -33.3313 -33.3313 -14.5619 -14.5619 -14.1908 -14.1908 -14.1742 -14.1742 -0.8389 -0.8389 -0.8237 -0.8237 -0.1653 -0.1653 -0.1522 -0.1522 -0.0544 -0.0544 2.2218 2.2218 8.9874 8.9874 9.6634 9.6634 11.2687 11.2687 11.3842 11.3842 11.8482 11.8482 k = 0.0000 0.1707-0.0000 ( 2000 PWs) bands (ev): -33.3311 -33.3311 -14.5629 -14.5629 -14.1928 -14.1928 -14.1739 -14.1739 -0.8384 -0.8384 -0.8212 -0.8212 -0.1650 -0.1650 -0.1496 -0.1496 -0.0555 -0.0555 2.2675 2.2675 8.8771 8.8771 9.6717 9.6717 11.2088 11.2088 11.3208 11.3208 11.8358 11.8358 k = 0.0000 0.1829-0.0000 ( 2008 PWs) bands (ev): -33.3309 -33.3309 -14.5640 -14.5640 -14.1950 -14.1950 -14.1737 -14.1737 -0.8381 -0.8381 -0.8188 -0.8188 -0.1649 -0.1649 -0.1471 -0.1471 -0.0568 -0.0568 2.3165 2.3165 8.7587 8.7587 9.6804 9.6804 11.1503 11.1503 11.2593 11.2593 11.8327 11.8327 k = 0.0000 0.1951-0.0000 ( 2008 PWs) bands (ev): -33.3307 -33.3307 -14.5651 -14.5651 -14.1971 -14.1971 -14.1734 -14.1734 -0.8377 -0.8377 -0.8164 -0.8164 -0.1646 -0.1646 -0.1444 -0.1444 -0.0580 -0.0580 2.3688 2.3688 8.6331 8.6331 9.6895 9.6895 11.0935 11.0935 11.1998 11.1998 11.8385 11.8385 k = 0.0000 0.2073-0.0000 ( 2008 PWs) bands (ev): -33.3304 -33.3304 -14.5663 -14.5663 -14.1994 -14.1994 -14.1732 -14.1732 -0.8372 -0.8372 -0.8140 -0.8140 -0.1644 -0.1644 -0.1415 -0.1415 -0.0592 -0.0592 2.4244 2.4244 8.5013 8.5013 9.6989 9.6989 11.0384 11.0384 11.1423 11.1423 11.8526 11.8526 k = 0.0000 0.2195-0.0000 ( 2008 PWs) bands (ev): -33.3302 -33.3302 -14.5675 -14.5675 -14.2016 -14.2016 -14.1729 -14.1729 -0.8368 -0.8368 -0.8116 -0.8116 -0.1642 -0.1642 -0.1386 -0.1386 -0.0604 -0.0604 2.4831 2.4831 8.3642 8.3642 9.7087 9.7087 10.9850 10.9850 11.0868 11.0868 11.8746 11.8746 k = 0.0000 0.2317-0.0000 ( 2000 PWs) bands (ev): -33.3299 -33.3299 -14.5687 -14.5687 -14.2038 -14.2038 -14.1725 -14.1725 -0.8363 -0.8363 -0.8092 -0.8092 -0.1639 -0.1639 -0.1354 -0.1354 -0.0614 -0.0614 2.5451 2.5451 8.2226 8.2226 9.7186 9.7186 10.9334 10.9334 11.0335 11.0335 11.9038 11.9038 k = 0.0000 0.2439-0.0000 ( 2000 PWs) bands (ev): -33.3297 -33.3297 -14.5700 -14.5700 -14.2061 -14.2061 -14.1722 -14.1722 -0.8358 -0.8358 -0.8069 -0.8069 -0.1638 -0.1638 -0.1323 -0.1323 -0.0625 -0.0625 2.6101 2.6101 8.0776 8.0776 9.7288 9.7288 10.8838 10.8838 10.9822 10.9822 11.9393 11.9393 k = 0.0000 0.2561-0.0000 ( 2000 PWs) bands (ev): -33.3295 -33.3295 -14.5713 -14.5713 -14.2083 -14.2083 -14.1719 -14.1719 -0.8353 -0.8353 -0.8047 -0.8047 -0.1636 -0.1636 -0.1291 -0.1291 -0.0637 -0.0637 2.6783 2.6783 7.9297 7.9297 9.7391 9.7391 10.8361 10.8361 10.9330 10.9330 11.9806 11.9806 k = 0.0000 0.2683-0.0000 ( 2004 PWs) bands (ev): -33.3292 -33.3292 -14.5727 -14.5727 -14.2106 -14.2106 -14.1717 -14.1717 -0.8349 -0.8349 -0.8027 -0.8027 -0.1636 -0.1636 -0.1259 -0.1259 -0.0648 -0.0648 2.7495 2.7495 7.7797 7.7797 9.7494 9.7494 10.7903 10.7903 10.8860 10.8860 12.0270 12.0270 k = 0.0000 0.2805-0.0000 ( 2004 PWs) bands (ev): -33.3290 -33.3290 -14.5740 -14.5740 -14.2127 -14.2127 -14.1714 -14.1714 -0.8345 -0.8345 -0.8007 -0.8007 -0.1635 -0.1635 -0.1226 -0.1226 -0.0658 -0.0658 2.8236 2.8236 7.6283 7.6283 9.7598 9.7598 10.7467 10.7467 10.8411 10.8411 12.0778 12.0778 k = 0.0000 0.2927-0.0000 ( 2004 PWs) bands (ev): -33.3288 -33.3288 -14.5754 -14.5754 -14.2148 -14.2148 -14.1711 -14.1711 -0.8340 -0.8340 -0.7988 -0.7988 -0.1634 -0.1634 -0.1192 -0.1192 -0.0668 -0.0668 2.9006 2.9006 7.4761 7.4761 9.7701 9.7701 10.7052 10.7052 10.7986 10.7986 12.1324 12.1324 k = 0.0000 0.3049-0.0000 ( 2004 PWs) bands (ev): -33.3285 -33.3285 -14.5767 -14.5767 -14.2169 -14.2169 -14.1708 -14.1708 -0.8336 -0.8336 -0.7970 -0.7970 -0.1634 -0.1634 -0.1160 -0.1160 -0.0677 -0.0677 2.9804 2.9804 7.3237 7.3237 9.7802 9.7802 10.6659 10.6659 10.7582 10.7582 12.1900 12.1900 k = 0.0000 0.3171-0.0000 ( 2012 PWs) bands (ev): -33.3283 -33.3283 -14.5780 -14.5780 -14.2189 -14.2189 -14.1705 -14.1705 -0.8333 -0.8333 -0.7955 -0.7955 -0.1635 -0.1635 -0.1128 -0.1128 -0.0687 -0.0687 3.0628 3.0628 7.1715 7.1715 9.7902 9.7902 10.6287 10.6287 10.7201 10.7201 12.2502 12.2502 k = 0.0000 0.3293-0.0000 ( 2012 PWs) bands (ev): -33.3281 -33.3281 -14.5793 -14.5793 -14.2208 -14.2208 -14.1703 -14.1703 -0.8329 -0.8329 -0.7939 -0.7939 -0.1636 -0.1636 -0.1096 -0.1096 -0.0695 -0.0695 3.1477 3.1477 7.0201 7.0201 9.8000 9.8000 10.5939 10.5939 10.6844 10.6844 12.2825 12.2825 k = 0.0000 0.3415-0.0000 ( 2012 PWs) bands (ev): -33.3279 -33.3279 -14.5806 -14.5806 -14.2226 -14.2226 -14.1700 -14.1700 -0.8325 -0.8325 -0.7925 -0.7925 -0.1637 -0.1637 -0.1065 -0.1065 -0.0702 -0.0702 3.2350 3.2350 6.8699 6.8699 9.8094 9.8094 10.5612 10.5612 10.6511 10.6511 12.2823 12.2823 k = 0.0000 0.3537-0.0000 ( 2020 PWs) bands (ev): -33.3277 -33.3277 -14.5818 -14.5818 -14.2243 -14.2243 -14.1698 -14.1698 -0.8322 -0.8322 -0.7913 -0.7913 -0.1638 -0.1638 -0.1037 -0.1037 -0.0710 -0.0710 3.3243 3.3243 6.7215 6.7215 9.8185 9.8185 10.5309 10.5309 10.6200 10.6200 12.2822 12.2822 k = 0.0000 0.3659-0.0000 ( 2008 PWs) bands (ev): -33.3275 -33.3275 -14.5829 -14.5829 -14.2258 -14.2258 -14.1695 -14.1695 -0.8317 -0.8317 -0.7900 -0.7900 -0.1638 -0.1638 -0.1007 -0.1007 -0.0714 -0.0714 3.4155 3.4155 6.5753 6.5753 9.8271 9.8271 10.5030 10.5030 10.5915 10.5915 12.2821 12.2821 k = 0.0000 0.3780-0.0000 ( 2008 PWs) bands (ev): -33.3273 -33.3273 -14.5840 -14.5840 -14.2273 -14.2273 -14.1693 -14.1693 -0.8314 -0.8314 -0.7889 -0.7889 -0.1639 -0.1639 -0.0980 -0.0980 -0.0719 -0.0719 3.5081 3.5081 6.4319 6.4319 9.8352 9.8352 10.4774 10.4774 10.5653 10.5653 12.2820 12.2820 k = 0.0000 0.3902-0.0000 ( 2016 PWs) bands (ev): -33.3272 -33.3272 -14.5851 -14.5851 -14.2286 -14.2286 -14.1691 -14.1691 -0.8312 -0.8312 -0.7881 -0.7881 -0.1641 -0.1641 -0.0956 -0.0956 -0.0725 -0.0725 3.6016 3.6016 6.2919 6.2919 9.8428 9.8428 10.4541 10.4541 10.5414 10.5414 12.2818 12.2818 k = 0.0000 0.4024-0.0000 ( 2016 PWs) bands (ev): -33.3270 -33.3270 -14.5860 -14.5860 -14.2298 -14.2298 -14.1689 -14.1689 -0.8310 -0.8310 -0.7872 -0.7872 -0.1643 -0.1643 -0.0933 -0.0933 -0.0729 -0.0729 3.6953 3.6953 6.1563 6.1563 9.8497 9.8497 10.4332 10.4332 10.5201 10.5201 12.2817 12.2817 k = 0.0000 0.4146-0.0000 ( 2016 PWs) bands (ev): -33.3269 -33.3269 -14.5868 -14.5868 -14.2309 -14.2309 -14.1688 -14.1688 -0.8308 -0.8308 -0.7865 -0.7865 -0.1644 -0.1644 -0.0912 -0.0912 -0.0733 -0.0733 3.7884 3.7884 6.0260 6.0260 9.8559 9.8559 10.4148 10.4148 10.5013 10.5013 12.2816 12.2816 k = 0.0000 0.4268-0.0000 ( 2016 PWs) bands (ev): -33.3268 -33.3268 -14.5876 -14.5876 -14.2318 -14.2318 -14.1686 -14.1686 -0.8306 -0.8306 -0.7859 -0.7859 -0.1645 -0.1645 -0.0894 -0.0894 -0.0736 -0.0736 3.8796 3.8796 5.9024 5.9024 9.8614 9.8614 10.3988 10.3988 10.4849 10.4849 12.2815 12.2815 k = 0.0000 0.4390-0.0000 ( 2020 PWs) bands (ev): -33.3267 -33.3267 -14.5882 -14.5882 -14.2326 -14.2326 -14.1685 -14.1685 -0.8305 -0.8305 -0.7853 -0.7853 -0.1646 -0.1646 -0.0878 -0.0878 -0.0740 -0.0740 3.9670 3.9670 5.7874 5.7874 9.8662 9.8662 10.3852 10.3852 10.4711 10.4711 12.2812 12.2813 k = 0.0000 0.4512-0.0000 ( 2020 PWs) bands (ev): -33.3266 -33.3266 -14.5888 -14.5888 -14.2333 -14.2333 -14.1684 -14.1684 -0.8303 -0.8303 -0.7849 -0.7849 -0.1647 -0.1647 -0.0865 -0.0865 -0.0742 -0.0742 4.0482 4.0482 5.6836 5.6836 9.8701 9.8701 10.3741 10.3741 10.4598 10.4598 12.2812 12.2812 k = 0.0000 0.4634-0.0000 ( 2020 PWs) bands (ev): -33.3266 -33.3266 -14.5892 -14.5892 -14.2338 -14.2338 -14.1683 -14.1683 -0.8302 -0.8302 -0.7846 -0.7846 -0.1648 -0.1648 -0.0855 -0.0855 -0.0743 -0.0743 4.1195 4.1195 5.5946 5.5946 9.8732 9.8732 10.3655 10.3655 10.4509 10.4509 12.2811 12.2811 k = 0.0000 0.4756-0.0000 ( 2020 PWs) bands (ev): -33.3265 -33.3265 -14.5895 -14.5895 -14.2341 -14.2341 -14.1683 -14.1683 -0.8302 -0.8302 -0.7843 -0.7843 -0.1649 -0.1649 -0.0847 -0.0847 -0.0745 -0.0745 4.1763 4.1763 5.5251 5.5251 9.8755 9.8755 10.3593 10.3593 10.4446 10.4446 12.2811 12.2811 k = 0.0000 0.4878-0.0000 ( 2020 PWs) bands (ev): -33.3265 -33.3265 -14.5897 -14.5897 -14.2344 -14.2344 -14.1683 -14.1683 -0.8301 -0.8301 -0.7842 -0.7842 -0.1649 -0.1649 -0.0843 -0.0843 -0.0745 -0.0745 4.2135 4.2135 5.4803 5.4803 9.8768 9.8768 10.3556 10.3556 10.4408 10.4408 12.2811 12.2811 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -33.3265 -33.3265 -14.5898 -14.5898 -14.2346 -14.2346 -14.1683 -14.1683 -0.8303 -0.8303 -0.7844 -0.7844 -0.1651 -0.1651 -0.0845 -0.0845 -0.0747 -0.0747 4.2265 4.2265 5.4647 5.4647 9.8772 9.8772 10.3542 10.3542 10.4395 10.4395 12.2810 12.2810 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -33.3265 -33.3265 -14.5898 -14.5898 -14.2346 -14.2346 -14.1683 -14.1683 -0.8303 -0.8303 -0.7844 -0.7844 -0.1651 -0.1651 -0.0845 -0.0845 -0.0747 -0.0747 4.2265 4.2265 5.4647 5.4647 9.8772 9.8772 10.3542 10.3542 10.4395 10.4395 12.2810 12.2810 k = 0.0122 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3265 -33.3265 -14.5898 -14.5898 -14.2345 -14.2345 -14.1683 -14.1683 -0.8300 -0.8300 -0.7843 -0.7843 -0.1649 -0.1649 -0.0843 -0.0843 -0.0745 -0.0745 4.2274 4.2274 5.4668 5.4668 9.8781 9.8781 10.3531 10.3531 10.4385 10.4385 12.2798 12.2798 k = 0.0244 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3264 -33.3264 -14.5898 -14.5898 -14.2345 -14.2345 -14.1684 -14.1684 -0.8299 -0.8299 -0.7843 -0.7843 -0.1649 -0.1649 -0.0840 -0.0840 -0.0749 -0.0749 4.2301 4.2301 5.4729 5.4729 9.8806 9.8806 10.3490 10.3490 10.4362 10.4362 12.2755 12.2755 k = 0.0366 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3264 -33.3264 -14.5899 -14.5899 -14.2346 -14.2346 -14.1688 -14.1688 -0.8296 -0.8296 -0.7844 -0.7844 -0.1648 -0.1648 -0.0837 -0.0837 -0.0755 -0.0755 4.2346 4.2346 5.4830 5.4830 9.8848 9.8848 10.3396 10.3396 10.4348 10.4348 12.2683 12.2683 k = 0.0488 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3263 -33.3263 -14.5900 -14.5900 -14.2347 -14.2347 -14.1692 -14.1692 -0.8294 -0.8294 -0.7846 -0.7846 -0.1647 -0.1647 -0.0835 -0.0835 -0.0763 -0.0763 4.2408 4.2408 5.4972 5.4972 9.8905 9.8905 10.3229 10.3229 10.4366 10.4366 12.2584 12.2584 k = 0.0610 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3263 -33.3263 -14.5902 -14.5902 -14.2349 -14.2349 -14.1697 -14.1697 -0.8290 -0.8290 -0.7850 -0.7850 -0.1646 -0.1646 -0.0835 -0.0835 -0.0772 -0.0772 4.2488 4.2488 5.5154 5.5154 9.8978 9.8978 10.2977 10.2977 10.4427 10.4427 12.2459 12.2459 k = 0.0732 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3262 -33.3262 -14.5905 -14.5905 -14.2351 -14.2351 -14.1704 -14.1704 -0.8287 -0.8287 -0.7854 -0.7854 -0.1645 -0.1645 -0.0839 -0.0839 -0.0777 -0.0777 4.2587 4.2587 5.5376 5.5376 9.9064 9.9064 10.2642 10.2642 10.4529 10.4529 12.2308 12.2308 k = 0.0854 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3260 -33.3260 -14.5907 -14.5907 -14.2354 -14.2354 -14.1711 -14.1711 -0.8282 -0.8282 -0.7858 -0.7858 -0.1643 -0.1643 -0.0849 -0.0849 -0.0776 -0.0776 4.2703 4.2703 5.5638 5.5638 9.9163 9.9163 10.2233 10.2233 10.4669 10.4669 12.2135 12.2135 k = 0.0976 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3259 -33.3259 -14.5910 -14.5910 -14.2357 -14.2357 -14.1719 -14.1719 -0.8277 -0.8277 -0.7863 -0.7863 -0.1641 -0.1641 -0.0867 -0.0867 -0.0770 -0.0770 4.2837 4.2837 5.5938 5.5938 9.9273 9.9273 10.1754 10.1754 10.4839 10.4839 12.1939 12.1939 k = 0.1098 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3258 -33.3258 -14.5914 -14.5914 -14.2360 -14.2360 -14.1728 -14.1728 -0.8272 -0.8272 -0.7869 -0.7869 -0.1639 -0.1639 -0.0889 -0.0889 -0.0760 -0.0760 4.2990 4.2990 5.6276 5.6276 9.9392 9.9392 10.1211 10.1211 10.5038 10.5038 12.1725 12.1725 k = 0.1220 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3256 -33.3256 -14.5918 -14.5918 -14.2365 -14.2365 -14.1738 -14.1738 -0.8268 -0.8268 -0.7877 -0.7877 -0.1637 -0.1637 -0.0916 -0.0916 -0.0747 -0.0747 4.3161 4.3161 5.6653 5.6653 9.9517 9.9517 10.0607 10.0607 10.5263 10.5263 12.1492 12.1492 k = 0.1341 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3255 -33.3255 -14.5923 -14.5923 -14.2370 -14.2370 -14.1747 -14.1747 -0.8263 -0.8263 -0.7884 -0.7884 -0.1635 -0.1635 -0.0945 -0.0945 -0.0731 -0.0731 4.3349 4.3349 5.7066 5.7066 9.9644 9.9644 9.9950 9.9950 10.5512 10.5512 12.1244 12.1244 k = 0.1463 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3253 -33.3253 -14.5928 -14.5928 -14.2375 -14.2375 -14.1757 -14.1757 -0.8259 -0.8259 -0.7892 -0.7892 -0.1632 -0.1632 -0.0975 -0.0975 -0.0712 -0.0712 4.3557 4.3557 5.7516 5.7516 9.9236 9.9236 9.9778 9.9778 10.5784 10.5784 12.0983 12.0983 k = 0.1585 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3251 -33.3251 -14.5933 -14.5933 -14.2381 -14.2381 -14.1767 -14.1767 -0.8254 -0.8254 -0.7900 -0.7900 -0.1629 -0.1629 -0.1008 -0.1008 -0.0690 -0.0690 4.3782 4.3782 5.8001 5.8001 9.8477 9.8477 9.9905 9.9905 10.6077 10.6077 12.0711 12.0711 k = 0.1707 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3249 -33.3249 -14.5938 -14.5938 -14.2388 -14.2388 -14.1778 -14.1778 -0.8251 -0.8251 -0.7910 -0.7910 -0.1627 -0.1627 -0.1043 -0.1043 -0.0668 -0.0668 4.4026 4.4026 5.8520 5.8520 9.7674 9.7674 10.0027 10.0027 10.6390 10.6390 12.0429 12.0429 k = 0.1829 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3247 -33.3247 -14.5944 -14.5944 -14.2396 -14.2396 -14.1787 -14.1787 -0.8247 -0.8247 -0.7919 -0.7919 -0.1623 -0.1623 -0.1077 -0.1077 -0.0641 -0.0641 4.4288 4.4288 5.9073 5.9073 9.6830 9.6830 10.0139 10.0139 10.6722 10.6722 12.0141 12.0141 k = 0.1951 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3245 -33.3245 -14.5950 -14.5950 -14.2404 -14.2404 -14.1797 -14.1797 -0.8245 -0.8245 -0.7930 -0.7930 -0.1622 -0.1622 -0.1113 -0.1113 -0.0614 -0.0614 4.4568 4.4568 5.9659 5.9659 9.5950 9.5950 10.0236 10.0236 10.7071 10.7071 11.9849 11.9849 k = 0.2073 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3243 -33.3243 -14.5957 -14.5957 -14.2413 -14.2413 -14.1806 -14.1806 -0.8244 -0.8244 -0.7941 -0.7941 -0.1619 -0.1619 -0.1150 -0.1150 -0.0584 -0.0584 4.4865 4.4865 6.0276 6.0276 9.5039 9.5039 10.0314 10.0314 10.7436 10.7436 11.9552 11.9552 k = 0.2195 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3240 -33.3240 -14.5964 -14.5964 -14.2423 -14.2423 -14.1815 -14.1815 -0.8243 -0.8243 -0.7954 -0.7954 -0.1618 -0.1618 -0.1187 -0.1187 -0.0552 -0.0552 4.5180 4.5180 6.0923 6.0923 9.4100 9.4100 10.0368 10.0368 10.7815 10.7815 11.9256 11.9256 k = 0.2317 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3238 -33.3238 -14.5971 -14.5971 -14.2434 -14.2434 -14.1823 -14.1823 -0.8243 -0.8243 -0.7967 -0.7967 -0.1617 -0.1617 -0.1223 -0.1223 -0.0519 -0.0519 4.5512 4.5512 6.1599 6.1599 9.3138 9.3138 10.0393 10.0393 10.8207 10.8207 11.8960 11.8960 k = 0.2439 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3236 -33.3236 -14.5978 -14.5978 -14.2445 -14.2445 -14.1831 -14.1831 -0.8243 -0.8243 -0.7980 -0.7980 -0.1617 -0.1617 -0.1259 -0.1259 -0.0483 -0.0483 4.5861 4.5861 6.2302 6.2302 9.2158 9.2158 10.0383 10.0383 10.8610 10.8610 11.8667 11.8667 k = 0.2561 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3234 -33.3234 -14.5986 -14.5986 -14.2456 -14.2456 -14.1837 -14.1837 -0.8244 -0.8244 -0.7994 -0.7994 -0.1618 -0.1618 -0.1294 -0.1294 -0.0447 -0.0447 4.6225 4.6225 6.3031 6.3031 9.1164 9.1164 10.0333 10.0333 10.9022 10.9022 11.8378 11.8378 k = 0.2683 0.5000-0.0000 ( 2014 PWs) bands (ev): -33.3231 -33.3231 -14.5994 -14.5994 -14.2468 -14.2468 -14.1844 -14.1844 -0.8246 -0.8246 -0.8009 -0.8009 -0.1621 -0.1621 -0.1327 -0.1327 -0.0409 -0.0409 4.6605 4.6605 6.3783 6.3783 9.0161 9.0161 10.0238 10.0238 10.9440 10.9440 11.8095 11.8095 k = 0.2805 0.5000-0.0000 ( 2010 PWs) bands (ev): -33.3229 -33.3229 -14.6001 -14.6001 -14.2480 -14.2480 -14.1849 -14.1849 -0.8247 -0.8247 -0.8024 -0.8024 -0.1624 -0.1624 -0.1358 -0.1358 -0.0369 -0.0369 4.6998 4.6998 6.4558 6.4558 8.9154 8.9154 10.0095 10.0095 10.9865 10.9865 11.7819 11.7819 k = 0.2927 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3227 -33.3227 -14.6010 -14.6010 -14.2493 -14.2493 -14.1854 -14.1854 -0.8251 -0.8251 -0.8040 -0.8040 -0.1631 -0.1631 -0.1388 -0.1388 -0.0331 -0.0331 4.7404 4.7404 6.5352 6.5352 8.8148 8.8148 9.9899 9.9899 11.0291 11.0291 11.7550 11.7550 k = 0.3049 0.5000-0.0000 ( 2022 PWs) bands (ev): -33.3225 -33.3225 -14.6018 -14.6018 -14.2506 -14.2506 -14.1858 -14.1858 -0.8254 -0.8254 -0.8056 -0.8056 -0.1641 -0.1641 -0.1413 -0.1413 -0.0291 -0.0291 4.7821 4.7821 6.6164 6.6164 8.7147 8.7147 9.9648 9.9648 11.0717 11.0717 11.7291 11.7291 k = 0.3171 0.5000-0.0000 ( 2024 PWs) bands (ev): -33.3223 -33.3223 -14.6026 -14.6026 -14.2519 -14.2519 -14.1862 -14.1862 -0.8258 -0.8258 -0.8072 -0.8072 -0.1652 -0.1652 -0.1435 -0.1435 -0.0251 -0.0251 4.8247 4.8247 6.6990 6.6990 8.6157 8.6157 9.9341 9.9341 11.1141 11.1141 11.7043 11.7043 k = 0.3293 0.5000-0.0000 ( 2024 PWs) bands (ev): -33.3220 -33.3220 -14.6034 -14.6034 -14.2531 -14.2531 -14.1865 -14.1865 -0.8262 -0.8262 -0.8088 -0.8088 -0.1666 -0.1666 -0.1453 -0.1453 -0.0212 -0.0212 4.8680 4.8680 6.7828 6.7828 8.5183 8.5183 9.8978 9.8978 11.1559 11.1559 11.6806 11.6806 k = 0.3415 0.5000-0.0000 ( 2020 PWs) bands (ev): -33.3218 -33.3218 -14.6041 -14.6041 -14.2543 -14.2543 -14.1868 -14.1868 -0.8265 -0.8265 -0.8103 -0.8103 -0.1682 -0.1682 -0.1467 -0.1467 -0.0173 -0.0173 4.9117 4.9117 6.8673 6.8673 8.4231 8.4231 9.8561 9.8561 11.1969 11.1969 11.6583 11.6583 k = 0.3537 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3216 -33.3216 -14.6048 -14.6048 -14.2554 -14.2554 -14.1870 -14.1870 -0.8269 -0.8269 -0.8117 -0.8117 -0.1699 -0.1699 -0.1478 -0.1478 -0.0134 -0.0134 4.9556 4.9556 6.9522 6.9522 8.3307 8.3307 9.8094 9.8094 11.2368 11.2368 11.6372 11.6372 k = 0.3659 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3215 -33.3215 -14.6055 -14.6055 -14.2565 -14.2565 -14.1871 -14.1871 -0.8273 -0.8273 -0.8131 -0.8131 -0.1718 -0.1718 -0.1487 -0.1487 -0.0098 -0.0098 4.9991 4.9991 7.0369 7.0369 8.2416 8.2416 9.7582 9.7582 11.2753 11.2753 11.6176 11.6176 k = 0.3780 0.5000-0.0000 ( 2010 PWs) bands (ev): -33.3213 -33.3213 -14.6062 -14.6062 -14.2575 -14.2575 -14.1873 -14.1873 -0.8276 -0.8276 -0.8144 -0.8144 -0.1737 -0.1737 -0.1492 -0.1492 -0.0063 -0.0063 5.0421 5.0421 7.1208 7.1208 8.1566 8.1566 9.7033 9.7033 11.3119 11.3119 11.5996 11.5996 k = 0.3902 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3212 -33.3212 -14.6068 -14.6068 -14.2585 -14.2585 -14.1874 -14.1874 -0.8281 -0.8281 -0.8158 -0.8158 -0.1756 -0.1756 -0.1498 -0.1498 -0.0032 -0.0032 5.0838 5.0838 7.2031 7.2031 8.0764 8.0764 9.6455 9.6455 11.3464 11.3464 11.5829 11.5829 k = 0.4024 0.5000-0.0000 ( 2018 PWs) bands (ev): -33.3210 -33.3210 -14.6074 -14.6074 -14.2594 -14.2594 -14.1875 -14.1875 -0.8284 -0.8284 -0.8170 -0.8170 -0.1774 -0.1774 -0.1502 -0.1502 -0.0002 -0.0002 5.1238 5.1238 7.2829 7.2829 8.0019 8.0019 9.5863 9.5863 11.3784 11.3784 11.5679 11.5679 k = 0.4146 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3209 -33.3209 -14.6079 -14.6079 -14.2602 -14.2602 -14.1876 -14.1876 -0.8288 -0.8288 -0.8181 -0.8181 -0.1790 -0.1790 -0.1505 -0.1505 0.0025 0.0025 5.1615 5.1615 7.3589 7.3589 7.9339 7.9339 9.5268 9.5268 11.4077 11.4077 11.5546 11.5546 k = 0.4268 0.5000-0.0000 ( 2012 PWs) bands (ev): -33.3208 -33.3208 -14.6084 -14.6084 -14.2609 -14.2609 -14.1876 -14.1876 -0.8290 -0.8290 -0.8190 -0.8190 -0.1804 -0.1804 -0.1507 -0.1507 0.0051 0.0051 5.1963 5.1963 7.4296 7.4296 7.8735 7.8735 9.4687 9.4687 11.4338 11.4338 11.5430 11.5430 k = 0.4390 0.5000-0.0000 ( 2016 PWs) bands (ev): -33.3207 -33.3207 -14.6088 -14.6088 -14.2615 -14.2615 -14.1877 -14.1877 -0.8294 -0.8294 -0.8199 -0.8199 -0.1817 -0.1817 -0.1509 -0.1509 0.0071 0.0071 5.2273 5.2273 7.4929 7.4929 7.8222 7.8222 9.4138 9.4138 11.4565 11.4565 11.5331 11.5331 k = 0.4512 0.5000-0.0000 ( 2020 PWs) bands (ev): -33.3206 -33.3206 -14.6092 -14.6092 -14.2621 -14.2621 -14.1877 -14.1877 -0.8296 -0.8296 -0.8206 -0.8206 -0.1828 -0.1828 -0.1511 -0.1511 0.0087 0.0087 5.2540 5.2540 7.5460 7.5460 7.7818 7.7818 9.3643 9.3643 11.4754 11.4754 11.5249 11.5249 k = 0.4634 0.5000-0.0000 ( 2020 PWs) bands (ev): -33.3206 -33.3206 -14.6094 -14.6094 -14.2625 -14.2625 -14.1877 -14.1877 -0.8298 -0.8298 -0.8212 -0.8212 -0.1837 -0.1837 -0.1512 -0.1512 0.0100 0.0100 5.2756 5.2756 7.5850 7.5850 7.7549 7.7549 9.3223 9.3223 11.4904 11.4904 11.5187 11.5187 k = 0.4756 0.5000-0.0000 ( 2008 PWs) bands (ev): -33.3205 -33.3205 -14.6096 -14.6096 -14.2627 -14.2627 -14.1876 -14.1876 -0.8297 -0.8297 -0.8215 -0.8215 -0.1841 -0.1841 -0.1510 -0.1510 0.0111 0.0111 5.2915 5.2915 7.6069 7.6069 7.7430 7.7430 9.2903 9.2903 11.5011 11.5011 11.5145 11.5145 k = 0.4878 0.5000-0.0000 ( 2000 PWs) bands (ev): -33.3205 -33.3205 -14.6096 -14.6096 -14.2628 -14.2628 -14.1876 -14.1876 -0.8297 -0.8297 -0.8216 -0.8216 -0.1844 -0.1844 -0.1510 -0.1510 0.0117 0.0117 5.3013 5.3013 7.6147 7.6147 7.7419 7.7419 9.2701 9.2701 11.5069 11.5069 11.5127 11.5127 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -33.3204 -33.3204 -14.6097 -14.6097 -14.2629 -14.2629 -14.1876 -14.1876 -0.8298 -0.8298 -0.8217 -0.8217 -0.1845 -0.1845 -0.1510 -0.1510 0.0119 0.0119 5.3045 5.3045 7.6160 7.6160 7.7429 7.7429 9.2632 9.2632 11.5080 11.5080 11.5129 11.5129 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -33.3204 -33.3204 -14.6097 -14.6097 -14.2629 -14.2629 -14.1876 -14.1876 -0.8298 -0.8298 -0.8217 -0.8217 -0.1845 -0.1845 -0.1510 -0.1510 0.0119 0.0119 5.3045 5.3045 7.6160 7.6160 7.7429 7.7429 9.2632 9.2632 11.5080 11.5080 11.5129 11.5129 k = 0.4914 0.4914-0.0000 ( 2002 PWs) bands (ev): -33.3205 -33.3205 -14.6096 -14.6096 -14.2629 -14.2629 -14.1876 -14.1876 -0.8297 -0.8297 -0.8217 -0.8217 -0.1844 -0.1844 -0.1510 -0.1510 0.0117 0.0117 5.3012 5.3012 7.6150 7.6150 7.7416 7.7416 9.2701 9.2701 11.5071 11.5071 11.5125 11.5125 k = 0.4828 0.4828-0.0000 ( 2006 PWs) bands (ev): -33.3205 -33.3205 -14.6095 -14.6095 -14.2627 -14.2627 -14.1876 -14.1876 -0.8297 -0.8297 -0.8215 -0.8215 -0.1841 -0.1841 -0.1510 -0.1510 0.0111 0.0111 5.2913 5.2913 7.6116 7.6116 7.7383 7.7383 9.2904 9.2904 11.5027 11.5027 11.5129 11.5129 k = 0.4741 0.4741-0.0000 ( 2012 PWs) bands (ev): -33.3205 -33.3205 -14.6094 -14.6094 -14.2624 -14.2624 -14.1877 -14.1877 -0.8297 -0.8297 -0.8211 -0.8211 -0.1835 -0.1835 -0.1511 -0.1511 0.0101 0.0101 5.2748 5.2748 7.6051 7.6051 7.7350 7.7350 9.3230 9.3230 11.4943 11.4943 11.5149 11.5149 k = 0.4655 0.4655-0.0000 ( 2020 PWs) bands (ev): -33.3206 -33.3206 -14.6091 -14.6091 -14.2621 -14.2621 -14.1877 -14.1877 -0.8297 -0.8297 -0.8206 -0.8206 -0.1828 -0.1828 -0.1511 -0.1511 0.0086 0.0086 5.2516 5.2516 7.5949 7.5949 7.7336 7.7336 9.3662 9.3662 11.4825 11.4825 11.5179 11.5179 k = 0.4569 0.4569-0.0000 ( 2019 PWs) bands (ev): -33.3207 -33.3207 -14.6088 -14.6088 -14.2615 -14.2615 -14.1877 -14.1877 -0.8294 -0.8294 -0.8199 -0.8199 -0.1817 -0.1817 -0.1510 -0.1510 0.0069 0.0069 5.2217 5.2217 7.5814 7.5814 7.7357 7.7357 9.4181 9.4181 11.4676 11.4676 11.5221 11.5221 k = 0.4483 0.4483-0.0000 ( 2011 PWs) bands (ev): -33.3208 -33.3208 -14.6083 -14.6083 -14.2609 -14.2609 -14.1877 -14.1877 -0.8291 -0.8291 -0.8189 -0.8189 -0.1803 -0.1803 -0.1508 -0.1508 0.0050 0.0050 5.1851 5.1851 7.5659 7.5659 7.7419 7.7419 9.4767 9.4767 11.4500 11.4500 11.5273 11.5273 k = 0.4397 0.4397-0.0000 ( 2009 PWs) bands (ev): -33.3209 -33.3209 -14.6078 -14.6078 -14.2601 -14.2601 -14.1876 -14.1876 -0.8287 -0.8287 -0.8180 -0.8180 -0.1788 -0.1788 -0.1506 -0.1506 0.0026 0.0026 5.1418 5.1418 7.5502 7.5502 7.7519 7.7519 9.5399 9.5399 11.4300 11.4300 11.5333 11.5333 k = 0.4310 0.4310-0.0000 ( 2013 PWs) bands (ev): -33.3210 -33.3210 -14.6073 -14.6073 -14.2593 -14.2593 -14.1876 -14.1876 -0.8284 -0.8284 -0.8170 -0.8170 -0.1770 -0.1770 -0.1505 -0.1505 -0.0003 -0.0003 5.0920 5.0920 7.5360 7.5360 7.7653 7.7653 9.6060 9.6060 11.4077 11.4077 11.5403 11.5403 k = 0.4224 0.4224-0.0000 ( 2013 PWs) bands (ev): -33.3212 -33.3212 -14.6066 -14.6066 -14.2584 -14.2584 -14.1875 -14.1875 -0.8280 -0.8280 -0.8158 -0.8158 -0.1751 -0.1751 -0.1503 -0.1503 -0.0034 -0.0034 5.0360 5.0360 7.5250 7.5250 7.7818 7.7818 9.6735 9.6735 11.3837 11.3837 11.5481 11.5481 k = 0.4138 0.4138-0.0000 ( 2013 PWs) bands (ev): -33.3213 -33.3213 -14.6059 -14.6059 -14.2573 -14.2573 -14.1875 -14.1875 -0.8277 -0.8277 -0.8146 -0.8146 -0.1730 -0.1730 -0.1501 -0.1501 -0.0067 -0.0067 4.9739 4.9739 7.5182 7.5182 7.8009 7.8009 9.7409 9.7409 11.3581 11.3581 11.5569 11.5569 k = 0.4052 0.4052-0.0000 ( 2009 PWs) bands (ev): -33.3215 -33.3215 -14.6051 -14.6051 -14.2561 -14.2561 -14.1874 -14.1874 -0.8272 -0.8272 -0.8132 -0.8132 -0.1706 -0.1706 -0.1499 -0.1499 -0.0104 -0.0104 4.9063 4.9063 7.5163 7.5163 7.8226 7.8226 9.8071 9.8071 11.3317 11.3317 11.5665 11.5665 k = 0.3966 0.3966-0.0000 ( 2013 PWs) bands (ev): -33.3217 -33.3217 -14.6043 -14.6043 -14.2549 -14.2549 -14.1873 -14.1873 -0.8268 -0.8268 -0.8119 -0.8119 -0.1682 -0.1682 -0.1497 -0.1497 -0.0143 -0.0143 4.8335 4.8335 7.5200 7.5200 7.8465 7.8465 9.8712 9.8712 11.3044 11.3044 11.5770 11.5770 k = 0.3879 0.3879-0.0000 ( 2021 PWs) bands (ev): -33.3219 -33.3219 -14.6035 -14.6035 -14.2536 -14.2536 -14.1873 -14.1873 -0.8265 -0.8265 -0.8106 -0.8106 -0.1657 -0.1657 -0.1495 -0.1495 -0.0186 -0.0186 4.7561 4.7561 7.5293 7.5293 7.8727 7.8727 9.9323 9.9323 11.2768 11.2768 11.5883 11.5883 k = 0.3793 0.3793-0.0000 ( 2023 PWs) bands (ev): -33.3221 -33.3221 -14.6025 -14.6025 -14.2521 -14.2521 -14.1872 -14.1872 -0.8260 -0.8260 -0.8093 -0.8093 -0.1631 -0.1631 -0.1492 -0.1492 -0.0229 -0.0229 4.6747 4.6747 7.5445 7.5445 7.9010 7.9010 9.9899 9.9899 11.2491 11.2491 11.6004 11.6004 k = 0.3707 0.3707-0.0000 ( 2023 PWs) bands (ev): -33.3224 -33.3224 -14.6015 -14.6015 -14.2506 -14.2506 -14.1871 -14.1871 -0.8256 -0.8256 -0.8079 -0.8079 -0.1604 -0.1604 -0.1488 -0.1488 -0.0274 -0.0274 4.5897 4.5897 7.5655 7.5655 7.9312 7.9312 10.0435 10.0435 11.2217 11.2217 11.6134 11.6134 k = 0.3621 0.3621-0.0000 ( 2023 PWs) bands (ev): -33.3226 -33.3226 -14.6004 -14.6004 -14.2490 -14.2490 -14.1870 -14.1870 -0.8252 -0.8252 -0.8065 -0.8065 -0.1577 -0.1577 -0.1482 -0.1482 -0.0320 -0.0320 4.5018 4.5018 7.5922 7.5922 7.9634 7.9634 10.0928 10.0928 11.1949 11.1949 11.6271 11.6271 k = 0.3534 0.3534-0.0000 ( 2021 PWs) bands (ev): -33.3229 -33.3229 -14.5993 -14.5993 -14.2472 -14.2472 -14.1868 -14.1868 -0.8249 -0.8249 -0.8052 -0.8052 -0.1553 -0.1553 -0.1473 -0.1473 -0.0367 -0.0367 4.4116 4.4116 7.6244 7.6244 7.9974 7.9974 10.1377 10.1377 11.1690 11.1690 11.6415 11.6415 k = 0.3448 0.3448-0.0000 ( 2011 PWs) bands (ev): -33.3231 -33.3231 -14.5980 -14.5980 -14.2454 -14.2454 -14.1867 -14.1867 -0.8244 -0.8244 -0.8038 -0.8038 -0.1534 -0.1534 -0.1457 -0.1457 -0.0413 -0.0413 4.3194 4.3194 7.6620 7.6620 8.0332 8.0332 10.1781 10.1781 11.1442 11.1442 11.6567 11.6567 k = 0.3362 0.3362-0.0000 ( 2011 PWs) bands (ev): -33.3234 -33.3234 -14.5968 -14.5968 -14.2435 -14.2435 -14.1865 -14.1865 -0.8241 -0.8241 -0.8026 -0.8026 -0.1522 -0.1522 -0.1436 -0.1436 -0.0462 -0.0462 4.2258 4.2258 7.7046 7.7046 8.0707 8.0707 10.2140 10.2140 11.1207 11.1207 11.6726 11.6726 k = 0.3276 0.3276-0.0000 ( 2011 PWs) bands (ev): -33.3237 -33.3237 -14.5955 -14.5955 -14.2415 -14.2415 -14.1863 -14.1863 -0.8239 -0.8239 -0.8016 -0.8016 -0.1515 -0.1515 -0.1410 -0.1410 -0.0510 -0.0510 4.1313 4.1313 7.7520 7.7520 8.1097 8.1097 10.2457 10.2457 11.0988 11.0988 11.6891 11.6891 k = 0.3190 0.3190-0.0000 ( 2015 PWs) bands (ev): -33.3240 -33.3240 -14.5942 -14.5942 -14.2396 -14.2396 -14.1862 -14.1862 -0.8237 -0.8237 -0.8008 -0.8008 -0.1512 -0.1512 -0.1381 -0.1381 -0.0559 -0.0559 4.0363 4.0363 7.8040 7.8040 8.1503 8.1503 10.2733 10.2733 11.0786 11.0786 11.7062 11.7062 k = 0.3103 0.3103-0.0000 ( 2015 PWs) bands (ev): -33.3243 -33.3243 -14.5929 -14.5929 -14.2375 -14.2375 -14.1860 -14.1860 -0.8235 -0.8235 -0.8000 -0.8000 -0.1510 -0.1510 -0.1351 -0.1351 -0.0606 -0.0606 3.9411 3.9411 7.8604 7.8604 8.1924 8.1924 10.2971 10.2971 11.0604 11.0604 11.7240 11.7240 k = 0.3017 0.3017-0.0000 ( 2011 PWs) bands (ev): -33.3246 -33.3246 -14.5915 -14.5915 -14.2353 -14.2353 -14.1857 -14.1857 -0.8233 -0.8233 -0.7994 -0.7994 -0.1509 -0.1509 -0.1320 -0.1320 -0.0650 -0.0650 3.8461 3.8461 7.9208 7.9208 8.2358 8.2358 10.3175 10.3175 11.0444 11.0444 11.7423 11.7423 k = 0.2931 0.2931-0.0000 ( 2011 PWs) bands (ev): -33.3249 -33.3249 -14.5901 -14.5901 -14.2332 -14.2332 -14.1855 -14.1855 -0.8233 -0.8233 -0.7989 -0.7989 -0.1510 -0.1510 -0.1290 -0.1290 -0.0694 -0.0694 3.7517 3.7517 7.9850 7.9850 8.2806 8.2806 10.3348 10.3348 11.0306 11.0306 11.7611 11.7611 k = 0.2845 0.2845-0.0000 ( 2007 PWs) bands (ev): -33.3252 -33.3252 -14.5886 -14.5886 -14.2309 -14.2309 -14.1852 -14.1852 -0.8233 -0.8233 -0.7986 -0.7986 -0.1511 -0.1511 -0.1262 -0.1262 -0.0734 -0.0734 3.6580 3.6580 8.0526 8.0526 8.3265 8.3265 10.3496 10.3496 11.0193 11.0193 11.7803 11.7803 k = 0.2759 0.2759-0.0000 ( 2007 PWs) bands (ev): -33.3255 -33.3255 -14.5872 -14.5872 -14.2286 -14.2286 -14.1850 -14.1850 -0.8233 -0.8233 -0.7986 -0.7986 -0.1512 -0.1512 -0.1238 -0.1238 -0.0770 -0.0770 3.5654 3.5654 8.1235 8.1235 8.3737 8.3737 10.3621 10.3621 11.0105 11.0105 11.8000 11.8000 k = 0.2672 0.2672-0.0000 ( 1997 PWs) bands (ev): -33.3258 -33.3258 -14.5857 -14.5857 -14.2263 -14.2263 -14.1847 -14.1847 -0.8234 -0.8234 -0.7986 -0.7986 -0.1515 -0.1515 -0.1217 -0.1217 -0.0799 -0.0799 3.4741 3.4741 8.1972 8.1972 8.4221 8.4221 10.3729 10.3729 11.0044 11.0044 11.8201 11.8202 k = 0.2586 0.2586-0.0000 ( 2003 PWs) bands (ev): -33.3262 -33.3262 -14.5842 -14.5842 -14.2240 -14.2240 -14.1844 -14.1844 -0.8237 -0.8237 -0.7990 -0.7990 -0.1518 -0.1518 -0.1205 -0.1205 -0.0823 -0.0823 3.3843 3.3843 8.2733 8.2733 8.4716 8.4716 10.3824 10.3824 11.0010 11.0010 11.8405 11.8405 k = 0.2500 0.2500-0.0000 ( 2003 PWs) bands (ev): -33.3265 -33.3265 -14.5828 -14.5828 -14.2217 -14.2217 -14.1841 -14.1841 -0.8240 -0.8240 -0.7995 -0.7995 -0.1522 -0.1522 -0.1200 -0.1200 -0.0838 -0.0838 3.2961 3.2961 8.3514 8.3514 8.5222 8.5222 10.3912 10.3912 11.0004 11.0004 11.8612 11.8612 k = 0.2414 0.2414-0.0000 ( 2003 PWs) bands (ev): -33.3269 -33.3269 -14.5813 -14.5813 -14.2193 -14.2193 -14.1838 -14.1838 -0.8243 -0.8243 -0.8003 -0.8003 -0.1526 -0.1526 -0.1203 -0.1203 -0.0843 -0.0843 3.2099 3.2099 8.4308 8.4308 8.5742 8.5742 10.3999 10.3999 11.0027 11.0027 11.8820 11.8820 k = 0.2328 0.2328-0.0000 ( 2001 PWs) bands (ev): -33.3272 -33.3272 -14.5798 -14.5798 -14.2169 -14.2169 -14.1834 -14.1834 -0.8247 -0.8247 -0.8011 -0.8011 -0.1530 -0.1530 -0.1215 -0.1215 -0.0839 -0.0839 3.1256 3.1256 8.5105 8.5105 8.6278 8.6278 10.4088 10.4088 11.0081 11.0081 11.9031 11.9031 k = 0.2241 0.2241-0.0000 ( 2005 PWs) bands (ev): -33.3275 -33.3275 -14.5783 -14.5783 -14.2146 -14.2146 -14.1831 -14.1831 -0.8252 -0.8252 -0.8023 -0.8023 -0.1535 -0.1535 -0.1234 -0.1234 -0.0828 -0.0828 3.0436 3.0436 8.5892 8.5892 8.6839 8.6839 10.4188 10.4188 11.0164 11.0164 11.9242 11.9242 k = 0.2155 0.2155-0.0000 ( 2001 PWs) bands (ev): -33.3278 -33.3278 -14.5769 -14.5769 -14.2122 -14.2122 -14.1828 -14.1828 -0.8257 -0.8257 -0.8035 -0.8035 -0.1540 -0.1540 -0.1256 -0.1256 -0.0812 -0.0812 2.9638 2.9638 8.6645 8.6645 8.7442 8.7442 10.4305 10.4305 11.0279 11.0279 11.9453 11.9453 k = 0.2069 0.2069-0.0000 ( 1999 PWs) bands (ev): -33.3282 -33.3282 -14.5754 -14.5754 -14.2099 -14.2099 -14.1824 -14.1824 -0.8263 -0.8263 -0.8049 -0.8049 -0.1546 -0.1546 -0.1281 -0.1281 -0.0792 -0.0792 2.8864 2.8864 8.7337 8.7337 8.8106 8.8106 10.4446 10.4446 11.0424 11.0424 11.9664 11.9665 k = 0.1983 0.1983-0.0000 ( 1999 PWs) bands (ev): -33.3285 -33.3285 -14.5740 -14.5740 -14.2076 -14.2076 -14.1820 -14.1820 -0.8270 -0.8270 -0.8065 -0.8065 -0.1552 -0.1552 -0.1309 -0.1309 -0.0770 -0.0770 2.8116 2.8116 8.7962 8.7962 8.8829 8.8829 10.4618 10.4618 11.0601 11.0601 11.9875 11.9875 k = 0.1897 0.1897-0.0000 ( 1999 PWs) bands (ev): -33.3288 -33.3288 -14.5726 -14.5726 -14.2053 -14.2053 -14.1817 -14.1817 -0.8277 -0.8277 -0.8082 -0.8082 -0.1559 -0.1559 -0.1337 -0.1337 -0.0746 -0.0746 2.7394 2.7394 8.8539 8.8539 8.9582 8.9582 10.4830 10.4830 11.0810 11.0810 12.0083 12.0083 k = 0.1810 0.1810-0.0000 ( 2003 PWs) bands (ev): -33.3291 -33.3291 -14.5712 -14.5712 -14.2031 -14.2031 -14.1813 -14.1813 -0.8285 -0.8285 -0.8101 -0.8101 -0.1566 -0.1566 -0.1365 -0.1365 -0.0723 -0.0723 2.6700 2.6700 8.9088 8.9088 9.0334 9.0334 10.5091 10.5091 11.1051 11.1051 12.0289 12.0289 k = 0.1724 0.1724-0.0000 ( 2003 PWs) bands (ev): -33.3294 -33.3294 -14.5699 -14.5699 -14.2009 -14.2009 -14.1809 -14.1809 -0.8293 -0.8293 -0.8120 -0.8120 -0.1573 -0.1573 -0.1392 -0.1392 -0.0700 -0.0700 2.6033 2.6033 8.9620 8.9620 9.1064 9.1064 10.5411 10.5411 11.1324 11.1324 12.0492 12.0492 k = 0.1638 0.1638-0.0000 ( 1995 PWs) bands (ev): -33.3297 -33.3297 -14.5686 -14.5686 -14.1986 -14.1986 -14.1805 -14.1805 -0.8301 -0.8301 -0.8138 -0.8138 -0.1579 -0.1579 -0.1417 -0.1417 -0.0676 -0.0676 2.5395 2.5395 9.0138 9.0138 9.1757 9.1757 10.5797 10.5797 11.1629 11.1629 12.0692 12.0692 k = 0.1552 0.1552-0.0000 ( 1997 PWs) bands (ev): -33.3300 -33.3300 -14.5673 -14.5673 -14.1966 -14.1966 -14.1801 -14.1801 -0.8310 -0.8310 -0.8160 -0.8160 -0.1587 -0.1587 -0.1443 -0.1443 -0.0654 -0.0654 2.4787 2.4787 9.0645 9.0645 9.2402 9.2402 10.6257 10.6257 11.1967 11.1967 12.0887 12.0887 k = 0.1466 0.1466-0.0000 ( 1997 PWs) bands (ev): -33.3302 -33.3302 -14.5661 -14.5661 -14.1945 -14.1945 -14.1798 -14.1798 -0.8318 -0.8318 -0.8181 -0.8181 -0.1594 -0.1594 -0.1468 -0.1468 -0.0633 -0.0633 2.4208 2.4208 9.1140 9.1140 9.2990 9.2990 10.6795 10.6795 11.2336 11.2336 12.1076 12.1076 k = 0.1379 0.1379-0.0000 ( 2011 PWs) bands (ev): -33.3305 -33.3305 -14.5650 -14.5650 -14.1927 -14.1927 -14.1795 -14.1795 -0.8329 -0.8329 -0.8204 -0.8204 -0.1603 -0.1603 -0.1493 -0.1493 -0.0615 -0.0615 2.3661 2.3661 9.1623 9.1623 9.3515 9.3515 10.7416 10.7416 11.2737 11.2737 12.1258 12.1258 k = 0.1293 0.1293-0.0000 ( 2011 PWs) bands (ev): -33.3308 -33.3308 -14.5639 -14.5639 -14.1908 -14.1908 -14.1791 -14.1791 -0.8337 -0.8337 -0.8225 -0.8225 -0.1610 -0.1610 -0.1514 -0.1514 -0.0596 -0.0596 2.3144 2.3144 9.2091 9.2091 9.3977 9.3977 10.8118 10.8118 11.3170 11.3170 12.1435 12.1435 k = 0.1207 0.1207-0.0000 ( 2011 PWs) bands (ev): -33.3310 -33.3310 -14.5629 -14.5629 -14.1890 -14.1890 -14.1788 -14.1788 -0.8346 -0.8346 -0.8246 -0.8246 -0.1617 -0.1617 -0.1535 -0.1535 -0.0578 -0.0578 2.2659 2.2659 9.2544 9.2544 9.4375 9.4375 10.8896 10.8896 11.3636 11.3636 12.1605 12.1605 k = 0.1121 0.1121-0.0000 ( 2017 PWs) bands (ev): -33.3313 -33.3313 -14.5619 -14.5619 -14.1873 -14.1873 -14.1784 -14.1784 -0.8355 -0.8355 -0.8268 -0.8268 -0.1625 -0.1625 -0.1555 -0.1555 -0.0562 -0.0562 2.2206 2.2206 9.2979 9.2979 9.4714 9.4714 10.9745 10.9745 11.4134 11.4134 12.1766 12.1766 k = 0.1034 0.1034-0.0000 ( 2017 PWs) bands (ev): -33.3315 -33.3315 -14.5610 -14.5610 -14.1858 -14.1858 -14.1781 -14.1781 -0.8363 -0.8363 -0.8288 -0.8288 -0.1632 -0.1632 -0.1573 -0.1573 -0.0546 -0.0546 2.1786 2.1786 9.3394 9.3394 9.4997 9.4997 11.0654 11.0654 11.4664 11.4664 12.1919 12.1919 k = 0.0948 0.0948-0.0000 ( 2017 PWs) bands (ev): -33.3317 -33.3317 -14.5601 -14.5601 -14.1843 -14.1843 -14.1778 -14.1778 -0.8372 -0.8372 -0.8307 -0.8307 -0.1638 -0.1638 -0.1589 -0.1589 -0.0532 -0.0532 2.1398 2.1398 9.3788 9.3788 9.5232 9.5232 11.1613 11.1613 11.5228 11.5228 12.2062 12.2062 k = 0.0862 0.0862-0.0000 ( 2009 PWs) bands (ev): -33.3318 -33.3318 -14.5592 -14.5592 -14.1828 -14.1828 -14.1775 -14.1775 -0.8378 -0.8378 -0.8324 -0.8324 -0.1643 -0.1643 -0.1604 -0.1604 -0.0518 -0.0518 2.1043 2.1043 9.4158 9.4158 9.5426 9.5426 11.2608 11.2608 11.5825 11.5825 12.2196 12.2196 k = 0.0776 0.0776-0.0000 ( 2013 PWs) bands (ev): -33.3320 -33.3320 -14.5585 -14.5585 -14.1816 -14.1816 -14.1772 -14.1772 -0.8386 -0.8386 -0.8341 -0.8341 -0.1649 -0.1649 -0.1618 -0.1618 -0.0507 -0.0507 2.0721 2.0721 9.4502 9.4502 9.5582 9.5582 11.3625 11.3625 11.6456 11.6456 12.2318 12.2318 k = 0.0690 0.0690-0.0000 ( 2013 PWs) bands (ev): -33.3322 -33.3322 -14.5579 -14.5579 -14.1805 -14.1805 -14.1770 -14.1770 -0.8392 -0.8392 -0.8357 -0.8357 -0.1655 -0.1655 -0.1630 -0.1630 -0.0497 -0.0497 2.0433 2.0433 9.4817 9.4817 9.5709 9.5709 11.4651 11.4651 11.7125 11.7125 12.2429 12.2429 k = 0.0603 0.0603-0.0000 ( 2001 PWs) bands (ev): -33.3323 -33.3323 -14.5572 -14.5572 -14.1794 -14.1794 -14.1767 -14.1767 -0.8397 -0.8397 -0.8370 -0.8370 -0.1658 -0.1658 -0.1640 -0.1640 -0.0486 -0.0486 2.0178 2.0178 9.5102 9.5102 9.5811 9.5811 11.5667 11.5667 11.7833 11.7833 12.2529 12.2529 k = 0.0517 0.0517-0.0000 ( 2001 PWs) bands (ev): -33.3324 -33.3324 -14.5567 -14.5567 -14.1785 -14.1785 -14.1765 -14.1765 -0.8402 -0.8402 -0.8382 -0.8382 -0.1662 -0.1662 -0.1649 -0.1649 -0.0479 -0.0479 1.9957 1.9957 9.5353 9.5353 9.5891 9.5891 11.6659 11.6659 11.8581 11.8581 12.2616 12.2616 k = 0.0431 0.0431-0.0000 ( 1997 PWs) bands (ev): -33.3325 -33.3325 -14.5562 -14.5562 -14.1777 -14.1777 -14.1763 -14.1763 -0.8406 -0.8406 -0.8393 -0.8393 -0.1665 -0.1665 -0.1657 -0.1657 -0.0471 -0.0471 1.9770 1.9770 9.5570 9.5570 9.5953 9.5953 11.7609 11.7609 11.9370 11.9370 12.2691 12.2692 k = 0.0345 0.0345-0.0000 ( 1993 PWs) bands (ev): -33.3326 -33.3326 -14.5559 -14.5559 -14.1771 -14.1771 -14.1762 -14.1762 -0.8409 -0.8409 -0.8401 -0.8401 -0.1668 -0.1668 -0.1663 -0.1663 -0.0466 -0.0466 1.9617 1.9617 9.5751 9.5751 9.6000 9.6000 11.8503 11.8503 12.0192 12.0192 12.2753 12.2754 k = 0.0259 0.0259-0.0000 ( 1993 PWs) bands (ev): -33.3326 -33.3326 -14.5556 -14.5556 -14.1766 -14.1766 -14.1761 -14.1761 -0.8413 -0.8413 -0.8407 -0.8407 -0.1671 -0.1671 -0.1667 -0.1667 -0.0461 -0.0461 1.9497 1.9497 9.5893 9.5893 9.6035 9.6035 11.9330 11.9330 12.1027 12.1027 12.2801 12.2801 k = 0.0172 0.0172-0.0000 ( 2001 PWs) bands (ev): -33.3327 -33.3327 -14.5554 -14.5554 -14.1762 -14.1762 -14.1760 -14.1760 -0.8416 -0.8416 -0.8413 -0.8413 -0.1673 -0.1673 -0.1671 -0.1671 -0.0460 -0.0460 1.9412 1.9412 9.5995 9.5995 9.6059 9.6059 12.0064 12.0064 12.1840 12.1840 12.2838 12.2839 k = 0.0086 0.0086-0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1761 -14.1761 -14.1760 -14.1760 -0.8418 -0.8418 -0.8417 -0.8417 -0.1675 -0.1675 -0.1674 -0.1674 -0.0459 -0.0459 1.9361 1.9361 9.6056 9.6056 9.6073 9.6073 12.0637 12.0637 12.2545 12.2545 12.2880 12.2886 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1760 -14.1760 -14.1760 -14.1760 -0.8418 -0.8418 -0.8418 -0.8418 -0.1675 -0.1675 -0.1675 -0.1675 -0.0458 -0.0458 1.9344 1.9344 9.6077 9.6077 9.6077 9.6077 12.0877 12.0877 12.2795 12.2795 12.2795 12.2797 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1760 -14.1760 -14.1760 -14.1760 -0.8418 -0.8418 -0.8418 -0.8418 -0.1675 -0.1675 -0.1675 -0.1675 -0.0458 -0.0458 1.9344 1.9344 9.6077 9.6077 9.6077 9.6077 12.0877 12.0877 12.2795 12.2795 12.2795 12.2796 k = 0.0070 0.0070 0.0070 ( 2007 PWs) bands (ev): -33.3327 -33.3327 -14.5553 -14.5553 -14.1760 -14.1760 -14.1760 -14.1760 -0.8417 -0.8417 -0.8417 -0.8417 -0.1675 -0.1675 -0.1675 -0.1675 -0.0459 -0.0459 1.9361 1.9361 9.6063 9.6063 9.6066 9.6066 12.0635 12.0635 12.2647 12.2648 12.2667 12.2668 k = 0.0141 0.0141 0.0141 ( 2001 PWs) bands (ev): -33.3327 -33.3327 -14.5554 -14.5554 -14.1761 -14.1761 -14.1761 -14.1761 -0.8416 -0.8416 -0.8414 -0.8414 -0.1673 -0.1673 -0.1672 -0.1672 -0.0460 -0.0460 1.9412 1.9412 9.6023 9.6023 9.6031 9.6031 12.0041 12.0041 12.2072 12.2072 12.2354 12.2355 k = 0.0211 0.0211 0.0211 ( 1995 PWs) bands (ev): -33.3326 -33.3326 -14.5556 -14.5556 -14.1763 -14.1763 -14.1763 -14.1763 -0.8412 -0.8412 -0.8408 -0.8408 -0.1669 -0.1669 -0.1669 -0.1669 -0.0462 -0.0462 1.9497 1.9497 9.5956 9.5956 9.5974 9.5974 11.9243 11.9243 12.1471 12.1471 12.1956 12.1956 k = 0.0282 0.0282 0.0282 ( 1989 PWs) bands (ev): -33.3325 -33.3325 -14.5558 -14.5558 -14.1766 -14.1766 -14.1766 -14.1766 -0.8407 -0.8407 -0.8402 -0.8402 -0.1665 -0.1665 -0.1664 -0.1664 -0.0465 -0.0465 1.9617 1.9617 9.5862 9.5862 9.5896 9.5896 11.8314 11.8314 12.0906 12.0906 12.1522 12.1522 k = 0.0352 0.0352 0.0352 ( 2001 PWs) bands (ev): -33.3325 -33.3325 -14.5563 -14.5563 -14.1772 -14.1772 -14.1769 -14.1769 -0.8402 -0.8402 -0.8397 -0.8397 -0.1662 -0.1662 -0.1661 -0.1661 -0.0472 -0.0472 1.9770 1.9770 9.5743 9.5743 9.5794 9.5794 11.7301 11.7301 12.0376 12.0376 12.1069 12.1070 k = 0.0423 0.0423 0.0423 ( 2001 PWs) bands (ev): -33.3324 -33.3324 -14.5567 -14.5567 -14.1777 -14.1777 -14.1773 -14.1773 -0.8396 -0.8396 -0.8388 -0.8388 -0.1656 -0.1656 -0.1655 -0.1655 -0.0479 -0.0479 1.9958 1.9958 9.5601 9.5601 9.5674 9.5674 11.6235 11.6235 11.9872 11.9872 12.0609 12.0609 k = 0.0493 0.0493 0.0493 ( 2007 PWs) bands (ev): -33.3323 -33.3323 -14.5573 -14.5573 -14.1783 -14.1783 -14.1779 -14.1779 -0.8389 -0.8389 -0.8379 -0.8379 -0.1650 -0.1650 -0.1649 -0.1649 -0.0488 -0.0488 2.0179 2.0179 9.5436 9.5436 9.5534 9.5534 11.5136 11.5136 11.9387 11.9387 12.0144 12.0144 k = 0.0563 0.0563 0.0563 ( 2007 PWs) bands (ev): -33.3321 -33.3321 -14.5578 -14.5578 -14.1790 -14.1790 -14.1784 -14.1784 -0.8381 -0.8381 -0.8367 -0.8367 -0.1642 -0.1642 -0.1641 -0.1641 -0.0497 -0.0497 2.0434 2.0434 9.5250 9.5250 9.5376 9.5376 11.4019 11.4019 11.8915 11.8915 11.9678 11.9678 k = 0.0634 0.0634 0.0634 ( 2013 PWs) bands (ev): -33.3320 -33.3320 -14.5585 -14.5585 -14.1798 -14.1798 -14.1791 -14.1791 -0.8372 -0.8372 -0.8354 -0.8354 -0.1635 -0.1635 -0.1633 -0.1633 -0.0509 -0.0509 2.0722 2.0722 9.5044 9.5044 9.5201 9.5201 11.2896 11.2896 11.8452 11.8452 11.9210 11.9210 k = 0.0704 0.0704 0.0704 ( 2013 PWs) bands (ev): -33.3318 -33.3318 -14.5593 -14.5593 -14.1806 -14.1806 -14.1798 -14.1798 -0.8362 -0.8362 -0.8340 -0.8340 -0.1625 -0.1625 -0.1622 -0.1622 -0.0521 -0.0521 2.1043 2.1043 9.4821 9.4821 9.5011 9.5011 11.1776 11.1776 11.7996 11.7996 11.8743 11.8743 k = 0.0775 0.0775 0.0775 ( 2013 PWs) bands (ev): -33.3316 -33.3316 -14.5601 -14.5601 -14.1815 -14.1815 -14.1806 -14.1806 -0.8350 -0.8350 -0.8326 -0.8326 -0.1616 -0.1616 -0.1611 -0.1611 -0.0535 -0.0535 2.1398 2.1398 9.4582 9.4582 9.4806 9.4806 11.0665 11.0665 11.7547 11.7547 11.8276 11.8276 k = 0.0845 0.0845 0.0845 ( 2013 PWs) bands (ev): -33.3314 -33.3314 -14.5609 -14.5609 -14.1825 -14.1825 -14.1815 -14.1815 -0.8338 -0.8338 -0.8310 -0.8310 -0.1605 -0.1605 -0.1598 -0.1598 -0.0550 -0.0550 2.1785 2.1785 9.4328 9.4328 9.4589 9.4589 10.9570 10.9570 11.7102 11.7102 11.7810 11.7810 k = 0.0915 0.0915 0.0915 ( 2010 PWs) bands (ev): -33.3312 -33.3312 -14.5618 -14.5618 -14.1836 -14.1836 -14.1824 -14.1824 -0.8325 -0.8325 -0.8293 -0.8293 -0.1593 -0.1593 -0.1585 -0.1585 -0.0567 -0.0567 2.2205 2.2205 9.4060 9.4060 9.4359 9.4359 10.8495 10.8495 11.6661 11.6661 11.7345 11.7345 k = 0.0986 0.0986 0.0986 ( 2010 PWs) bands (ev): -33.3310 -33.3310 -14.5628 -14.5628 -14.1847 -14.1847 -14.1834 -14.1834 -0.8312 -0.8312 -0.8276 -0.8276 -0.1582 -0.1582 -0.1570 -0.1570 -0.0585 -0.0585 2.2656 2.2656 9.3781 9.3781 9.4119 9.4119 10.7444 10.7444 11.6224 11.6224 11.6882 11.6882 k = 0.1056 0.1056 0.1056 ( 2004 PWs) bands (ev): -33.3307 -33.3307 -14.5638 -14.5638 -14.1858 -14.1858 -14.1844 -14.1844 -0.8298 -0.8298 -0.8258 -0.8258 -0.1568 -0.1568 -0.1553 -0.1553 -0.0605 -0.0605 2.3140 2.3140 9.3491 9.3491 9.3869 9.3869 10.6422 10.6422 11.5792 11.5792 11.6422 11.6422 k = 0.1127 0.1127 0.1127 ( 2004 PWs) bands (ev): -33.3305 -33.3305 -14.5650 -14.5650 -14.1871 -14.1871 -14.1855 -14.1855 -0.8283 -0.8283 -0.8241 -0.8241 -0.1555 -0.1555 -0.1536 -0.1536 -0.0628 -0.0628 2.3654 2.3654 9.3191 9.3191 9.3610 9.3610 10.5432 10.5432 11.5364 11.5364 11.5965 11.5965 k = 0.1197 0.1197 0.1197 ( 2004 PWs) bands (ev): -33.3302 -33.3302 -14.5661 -14.5661 -14.1884 -14.1884 -14.1867 -14.1867 -0.8269 -0.8269 -0.8223 -0.8223 -0.1541 -0.1541 -0.1518 -0.1518 -0.0652 -0.0652 2.4199 2.4199 9.2882 9.2882 9.3344 9.3344 10.4475 10.4475 11.4941 11.4941 11.5513 11.5513 k = 0.1268 0.1268 0.1268 ( 1998 PWs) bands (ev): -33.3299 -33.3299 -14.5673 -14.5673 -14.1897 -14.1897 -14.1879 -14.1879 -0.8253 -0.8253 -0.8205 -0.8205 -0.1526 -0.1526 -0.1497 -0.1497 -0.0677 -0.0677 2.4774 2.4774 9.2565 9.2565 9.3069 9.3069 10.3556 10.3556 11.4525 11.4525 11.5066 11.5066 k = 0.1338 0.1338 0.1338 ( 1998 PWs) bands (ev): -33.3296 -33.3296 -14.5685 -14.5685 -14.1911 -14.1911 -14.1892 -14.1892 -0.8238 -0.8238 -0.8189 -0.8189 -0.1511 -0.1511 -0.1477 -0.1477 -0.0705 -0.0705 2.5378 2.5378 9.2242 9.2242 9.2788 9.2788 10.2676 10.2676 11.4116 11.4116 11.4626 11.4626 k = 0.1408 0.1408 0.1408 ( 1986 PWs) bands (ev): -33.3293 -33.3293 -14.5698 -14.5698 -14.1925 -14.1925 -14.1904 -14.1904 -0.8221 -0.8221 -0.8172 -0.8172 -0.1493 -0.1493 -0.1454 -0.1454 -0.0733 -0.0733 2.6011 2.6011 9.1911 9.1911 9.2500 9.2500 10.1837 10.1837 11.3715 11.3715 11.4195 11.4195 k = 0.1479 0.1479 0.1479 ( 1992 PWs) bands (ev): -33.3290 -33.3290 -14.5711 -14.5711 -14.1940 -14.1940 -14.1918 -14.1918 -0.8206 -0.8206 -0.8158 -0.8158 -0.1476 -0.1476 -0.1432 -0.1432 -0.0765 -0.0765 2.6671 2.6671 9.1574 9.1574 9.2206 9.2206 10.1041 10.1041 11.3324 11.3324 11.3773 11.3773 k = 0.1549 0.1549 0.1549 ( 1992 PWs) bands (ev): -33.3286 -33.3286 -14.5725 -14.5725 -14.1955 -14.1955 -14.1932 -14.1932 -0.8191 -0.8191 -0.8143 -0.8143 -0.1458 -0.1458 -0.1408 -0.1408 -0.0798 -0.0798 2.7359 2.7359 9.1231 9.1231 9.1905 9.1905 10.0289 10.0289 11.2945 11.2945 11.3363 11.3363 k = 0.1620 0.1620 0.1620 ( 1989 PWs) bands (ev): -33.3283 -33.3283 -14.5739 -14.5739 -14.1971 -14.1971 -14.1946 -14.1946 -0.8175 -0.8175 -0.8129 -0.8129 -0.1439 -0.1439 -0.1382 -0.1382 -0.0832 -0.0832 2.8073 2.8073 9.0882 9.0882 9.1598 9.1598 9.9583 9.9583 11.2580 11.2580 11.2967 11.2967 k = 0.1690 0.1690 0.1690 ( 1980 PWs) bands (ev): -33.3279 -33.3279 -14.5753 -14.5753 -14.1986 -14.1986 -14.1961 -14.1961 -0.8160 -0.8160 -0.8114 -0.8114 -0.1418 -0.1418 -0.1355 -0.1355 -0.0867 -0.0867 2.8812 2.8812 9.0528 9.0528 9.1285 9.1285 9.8924 9.8924 11.2229 11.2229 11.2586 11.2586 k = 0.1761 0.1761 0.1761 ( 1992 PWs) bands (ev): -33.3276 -33.3276 -14.5768 -14.5768 -14.2002 -14.2002 -14.1976 -14.1976 -0.8147 -0.8147 -0.8105 -0.8105 -0.1398 -0.1398 -0.1329 -0.1329 -0.0905 -0.0905 2.9576 2.9576 9.0167 9.0167 9.0964 9.0964 9.8312 9.8312 11.1894 11.1894 11.2222 11.2222 k = 0.1831 0.1831 0.1831 ( 1992 PWs) bands (ev): -33.3272 -33.3272 -14.5783 -14.5783 -14.2018 -14.2018 -14.1992 -14.1992 -0.8132 -0.8132 -0.8094 -0.8094 -0.1375 -0.1375 -0.1300 -0.1300 -0.0944 -0.0944 3.0363 3.0363 8.9800 8.9800 9.0636 9.0636 9.7750 9.7750 11.1579 11.1579 11.1878 11.1878 k = 0.1901 0.1901 0.1901 ( 1992 PWs) bands (ev): -33.3268 -33.3268 -14.5798 -14.5798 -14.2035 -14.2035 -14.2008 -14.2008 -0.8119 -0.8119 -0.8085 -0.8085 -0.1351 -0.1351 -0.1271 -0.1271 -0.0984 -0.0984 3.1173 3.1173 8.9426 8.9426 9.0301 9.0301 9.7237 9.7237 11.1285 11.1285 11.1555 11.1555 k = 0.1972 0.1972 0.1972 ( 1989 PWs) bands (ev): -33.3264 -33.3264 -14.5813 -14.5813 -14.2051 -14.2051 -14.2024 -14.2024 -0.8106 -0.8106 -0.8076 -0.8076 -0.1325 -0.1325 -0.1239 -0.1239 -0.1025 -0.1025 3.2004 3.2004 8.9047 8.9047 8.9958 8.9958 9.6775 9.6775 11.1013 11.1013 11.1256 11.1256 k = 0.2042 0.2042 0.2042 ( 2007 PWs) bands (ev): -33.3261 -33.3261 -14.5829 -14.5829 -14.2068 -14.2068 -14.2041 -14.2041 -0.8096 -0.8096 -0.8071 -0.8071 -0.1301 -0.1301 -0.1209 -0.1209 -0.1070 -0.1070 3.2855 3.2855 8.8660 8.8660 8.9606 8.9606 9.6362 9.6362 11.0765 11.0765 11.0982 11.0982 k = 0.2113 0.2113 0.2113 ( 2007 PWs) bands (ev): -33.3257 -33.3257 -14.5845 -14.5845 -14.2084 -14.2084 -14.2057 -14.2057 -0.8084 -0.8084 -0.8066 -0.8066 -0.1273 -0.1273 -0.1176 -0.1176 -0.1113 -0.1113 3.3726 3.3726 8.8267 8.8267 8.9246 8.9246 9.6002 9.6002 11.0542 11.0542 11.0735 11.0735 k = 0.2183 0.2183 0.2183 ( 2007 PWs) bands (ev): -33.3253 -33.3253 -14.5860 -14.5860 -14.2101 -14.2101 -14.2074 -14.2074 -0.8073 -0.8073 -0.8061 -0.8061 -0.1243 -0.1243 -0.1156 -0.1156 -0.1143 -0.1143 3.4615 3.4615 8.7867 8.7867 8.8878 8.8878 9.5693 9.5693 11.0347 11.0347 11.0516 11.0516 k = 0.2254 0.2254 0.2254 ( 2010 PWs) bands (ev): -33.3249 -33.3249 -14.5876 -14.5876 -14.2117 -14.2117 -14.2091 -14.2091 -0.8062 -0.8062 -0.8059 -0.8059 -0.1213 -0.1213 -0.1200 -0.1200 -0.1108 -0.1108 3.5521 3.5521 8.7461 8.7461 8.8502 8.8502 9.5436 9.5436 11.0180 11.0180 11.0328 11.0328 k = 0.2324 0.2324 0.2324 ( 2010 PWs) bands (ev): -33.3245 -33.3245 -14.5892 -14.5892 -14.2134 -14.2134 -14.2108 -14.2108 -0.8057 -0.8057 -0.8052 -0.8052 -0.1245 -0.1245 -0.1179 -0.1179 -0.1072 -0.1072 3.6443 3.6443 8.7048 8.7048 8.8116 8.8116 9.5230 9.5230 11.0044 11.0044 11.0171 11.0171 k = 0.2394 0.2394 0.2394 ( 2010 PWs) bands (ev): -33.3241 -33.3241 -14.5908 -14.5908 -14.2150 -14.2150 -14.2125 -14.2125 -0.8056 -0.8056 -0.8043 -0.8043 -0.1290 -0.1290 -0.1145 -0.1145 -0.1035 -0.1035 3.7380 3.7380 8.6629 8.6629 8.7722 8.7722 9.5076 9.5076 10.9939 10.9939 11.0047 11.0047 k = 0.2465 0.2465 0.2465 ( 2022 PWs) bands (ev): -33.3237 -33.3237 -14.5924 -14.5924 -14.2167 -14.2167 -14.2142 -14.2142 -0.8058 -0.8058 -0.8036 -0.8036 -0.1336 -0.1336 -0.1110 -0.1110 -0.0998 -0.0998 3.8330 3.8330 8.6203 8.6203 8.7320 8.7320 9.4974 9.4974 10.9864 10.9864 10.9956 10.9956 k = 0.2535 0.2535 0.2535 ( 2022 PWs) bands (ev): -33.3233 -33.3233 -14.5939 -14.5939 -14.2183 -14.2183 -14.2159 -14.2159 -0.8059 -0.8059 -0.8028 -0.8028 -0.1380 -0.1380 -0.1073 -0.1073 -0.0960 -0.0960 3.9294 3.9294 8.5772 8.5772 8.6910 8.6910 9.4922 9.4922 10.9823 10.9823 10.9900 10.9900 k = 0.2606 0.2606 0.2606 ( 2022 PWs) bands (ev): -33.3229 -33.3229 -14.5955 -14.5955 -14.2199 -14.2199 -14.2176 -14.2176 -0.8061 -0.8061 -0.8022 -0.8022 -0.1424 -0.1424 -0.1034 -0.1034 -0.0920 -0.0920 4.0268 4.0268 8.5335 8.5335 8.6493 8.6493 9.4920 9.4920 10.9814 10.9814 10.9878 10.9878 k = 0.2676 0.2676 0.2676 ( 2022 PWs) bands (ev): -33.3225 -33.3225 -14.5970 -14.5970 -14.2215 -14.2215 -14.2193 -14.2193 -0.8063 -0.8063 -0.8016 -0.8016 -0.1468 -0.1468 -0.0994 -0.0994 -0.0879 -0.0879 4.1254 4.1254 8.4895 8.4895 8.6070 8.6070 9.4967 9.4967 10.9838 10.9838 10.9890 10.9890 k = 0.2746 0.2746 0.2746 ( 2022 PWs) bands (ev): -33.3221 -33.3221 -14.5986 -14.5986 -14.2231 -14.2231 -14.2210 -14.2210 -0.8066 -0.8066 -0.8010 -0.8010 -0.1511 -0.1511 -0.0953 -0.0953 -0.0838 -0.0838 4.2249 4.2249 8.4451 8.4451 8.5642 8.5642 9.5062 9.5062 10.9895 10.9895 10.9938 10.9938 k = 0.2817 0.2817 0.2817 ( 2028 PWs) bands (ev): -33.3217 -33.3217 -14.6001 -14.6001 -14.2247 -14.2247 -14.2226 -14.2226 -0.8070 -0.8070 -0.8007 -0.8007 -0.1553 -0.1553 -0.0911 -0.0911 -0.0798 -0.0798 4.3253 4.3253 8.4004 8.4004 8.5210 8.5210 9.5203 9.5203 10.9985 10.9985 11.0020 11.0020 k = 0.2887 0.2887 0.2887 ( 2028 PWs) bands (ev): -33.3213 -33.3213 -14.6016 -14.6016 -14.2262 -14.2262 -14.2243 -14.2243 -0.8073 -0.8073 -0.8003 -0.8003 -0.1594 -0.1594 -0.0868 -0.0868 -0.0756 -0.0756 4.4265 4.4265 8.3556 8.3556 8.4774 8.4774 9.5387 9.5387 11.0108 11.0108 11.0136 11.0136 k = 0.2958 0.2958 0.2958 ( 2016 PWs) bands (ev): -33.3209 -33.3209 -14.6030 -14.6030 -14.2276 -14.2276 -14.2259 -14.2259 -0.8074 -0.8074 -0.7999 -0.7999 -0.1633 -0.1633 -0.0822 -0.0822 -0.0712 -0.0712 4.5284 4.5284 8.3107 8.3107 8.4336 8.4336 9.5611 9.5611 11.0263 11.0263 11.0286 11.0286 k = 0.3028 0.3028 0.3028 ( 2016 PWs) bands (ev): -33.3206 -33.3206 -14.6045 -14.6045 -14.2291 -14.2291 -14.2275 -14.2275 -0.8078 -0.8078 -0.7996 -0.7996 -0.1672 -0.1672 -0.0776 -0.0776 -0.0669 -0.0669 4.6309 4.6309 8.2660 8.2660 8.3898 8.3898 9.5871 9.5871 11.0450 11.0450 11.0469 11.0469 k = 0.3099 0.3099 0.3099 ( 2022 PWs) bands (ev): -33.3202 -33.3202 -14.6059 -14.6059 -14.2306 -14.2306 -14.2290 -14.2290 -0.8082 -0.8082 -0.7995 -0.7995 -0.1711 -0.1711 -0.0731 -0.0731 -0.0626 -0.0626 4.7340 4.7340 8.2214 8.2214 8.3461 8.3461 9.6161 9.6161 11.0668 11.0668 11.0684 11.0684 k = 0.3169 0.3169 0.3169 ( 2022 PWs) bands (ev): -33.3198 -33.3198 -14.6073 -14.6073 -14.2320 -14.2320 -14.2306 -14.2306 -0.8085 -0.8085 -0.7994 -0.7994 -0.1746 -0.1746 -0.0685 -0.0685 -0.0583 -0.0583 4.8376 4.8376 8.1771 8.1771 8.3025 8.3025 9.6476 9.6476 11.0916 11.0916 11.0931 11.0931 k = 0.3239 0.3239 0.3239 ( 2028 PWs) bands (ev): -33.3195 -33.3195 -14.6087 -14.6087 -14.2335 -14.2335 -14.2321 -14.2321 -0.8089 -0.8089 -0.7993 -0.7993 -0.1783 -0.1783 -0.0639 -0.0639 -0.0540 -0.0540 4.9418 4.9418 8.1333 8.1333 8.2593 8.2593 9.6805 9.6805 11.1194 11.1194 11.1208 11.1208 k = 0.3310 0.3310 0.3310 ( 2028 PWs) bands (ev): -33.3191 -33.3191 -14.6101 -14.6101 -14.2348 -14.2348 -14.2336 -14.2336 -0.8091 -0.8091 -0.7993 -0.7993 -0.1816 -0.1816 -0.0591 -0.0591 -0.0497 -0.0497 5.0463 5.0463 8.0901 8.0901 8.2166 8.2166 9.7140 9.7140 11.1501 11.1501 11.1516 11.1516 k = 0.3380 0.3380 0.3380 ( 2016 PWs) bands (ev): -33.3187 -33.3187 -14.6113 -14.6113 -14.2361 -14.2361 -14.2349 -14.2349 -0.8091 -0.8091 -0.7991 -0.7991 -0.1847 -0.1847 -0.0542 -0.0542 -0.0453 -0.0453 5.1513 5.1513 8.0476 8.0476 8.1745 8.1745 9.7464 9.7464 11.1837 11.1837 11.1852 11.1852 k = 0.3451 0.3451 0.3451 ( 2016 PWs) bands (ev): -33.3184 -33.3184 -14.6126 -14.6126 -14.2374 -14.2374 -14.2363 -14.2363 -0.8092 -0.8092 -0.7992 -0.7992 -0.1877 -0.1877 -0.0495 -0.0495 -0.0411 -0.0411 5.2567 5.2567 8.0059 8.0059 8.1332 8.1332 9.7759 9.7759 11.2199 11.2199 11.2215 11.2215 k = 0.3521 0.3521 0.3521 ( 2010 PWs) bands (ev): -33.3181 -33.3181 -14.6138 -14.6138 -14.2386 -14.2386 -14.2377 -14.2377 -0.8092 -0.8092 -0.7993 -0.7993 -0.1906 -0.1906 -0.0447 -0.0447 -0.0368 -0.0368 5.3626 5.3626 7.9652 7.9652 8.0927 8.0927 9.8001 9.8001 11.2587 11.2587 11.2605 11.2605 k = 0.3592 0.3592 0.3592 ( 2016 PWs) bands (ev): -33.3178 -33.3178 -14.6150 -14.6150 -14.2399 -14.2399 -14.2390 -14.2390 -0.8092 -0.8092 -0.7995 -0.7995 -0.1933 -0.1933 -0.0402 -0.0402 -0.0328 -0.0328 5.4688 5.4688 7.9255 7.9255 8.0533 8.0533 9.8163 9.8163 11.2999 11.2999 11.3020 11.3020 k = 0.3662 0.3662 0.3662 ( 2004 PWs) bands (ev): -33.3175 -33.3175 -14.6161 -14.6161 -14.2410 -14.2410 -14.2402 -14.2402 -0.8089 -0.8089 -0.7996 -0.7996 -0.1957 -0.1957 -0.0355 -0.0355 -0.0286 -0.0286 5.5755 5.5755 7.8870 7.8870 8.0150 8.0150 9.8211 9.8211 11.3435 11.3435 11.3459 11.3459 k = 0.3732 0.3732 0.3732 ( 2010 PWs) bands (ev): -33.3172 -33.3172 -14.6172 -14.6172 -14.2421 -14.2421 -14.2414 -14.2414 -0.8088 -0.8088 -0.7998 -0.7998 -0.1981 -0.1981 -0.0311 -0.0311 -0.0248 -0.0248 5.6827 5.6827 7.8499 7.8499 7.9779 7.9779 9.8113 9.8113 11.3893 11.3893 11.3920 11.3920 k = 0.3803 0.3803 0.3803 ( 2010 PWs) bands (ev): -33.3169 -33.3169 -14.6183 -14.6183 -14.2432 -14.2432 -14.2426 -14.2426 -0.8086 -0.8086 -0.8000 -0.8000 -0.2004 -0.2004 -0.0267 -0.0267 -0.0210 -0.0210 5.7904 5.7904 7.8141 7.8141 7.9421 7.9421 9.7841 9.7841 11.4372 11.4375 11.4477 11.4478 k = 0.3873 0.3873 0.3873 ( 2010 PWs) bands (ev): -33.3166 -33.3166 -14.6193 -14.6193 -14.2442 -14.2442 -14.2437 -14.2437 -0.8083 -0.8083 -0.8003 -0.8003 -0.2024 -0.2024 -0.0225 -0.0225 -0.0173 -0.0173 5.8986 5.8986 7.7798 7.7798 7.9079 7.9079 9.7382 9.7382 11.4255 11.4255 11.4872 11.4872 k = 0.3944 0.3944 0.3944 ( 2004 PWs) bands (ev): -33.3164 -33.3164 -14.6202 -14.6202 -14.2452 -14.2452 -14.2447 -14.2447 -0.8079 -0.8079 -0.8004 -0.8004 -0.2042 -0.2042 -0.0184 -0.0184 -0.0137 -0.0137 6.0074 6.0074 7.7472 7.7472 7.8752 7.8752 9.6738 9.6738 11.4257 11.4257 11.5389 11.5390 k = 0.4014 0.4014 0.4014 ( 2004 PWs) bands (ev): -33.3161 -33.3161 -14.6211 -14.6211 -14.2461 -14.2461 -14.2457 -14.2457 -0.8076 -0.8076 -0.8007 -0.8007 -0.2059 -0.2059 -0.0144 -0.0144 -0.0103 -0.0103 6.1169 6.1169 7.7163 7.7163 7.8442 7.8442 9.5926 9.5926 11.4464 11.4464 11.5923 11.5923 k = 0.4085 0.4085 0.4085 ( 2004 PWs) bands (ev): -33.3159 -33.3159 -14.6220 -14.6220 -14.2470 -14.2470 -14.2466 -14.2466 -0.8072 -0.8072 -0.8009 -0.8009 -0.2075 -0.2075 -0.0107 -0.0107 -0.0071 -0.0071 6.2269 6.2269 7.6872 7.6872 7.8149 7.8149 9.4972 9.4972 11.4847 11.4847 11.6470 11.6473 k = 0.4155 0.4155 0.4155 ( 2004 PWs) bands (ev): -33.3157 -33.3157 -14.6228 -14.6228 -14.2478 -14.2478 -14.2475 -14.2475 -0.8068 -0.8068 -0.8012 -0.8012 -0.2090 -0.2090 -0.0071 -0.0071 -0.0040 -0.0040 6.3377 6.3377 7.6600 7.6600 7.7875 7.7875 9.3907 9.3907 11.5373 11.5373 11.7030 11.7032 k = 0.4225 0.4225 0.4225 ( 2004 PWs) bands (ev): -33.3155 -33.3155 -14.6235 -14.6235 -14.2486 -14.2486 -14.2483 -14.2483 -0.8063 -0.8063 -0.8014 -0.8014 -0.2103 -0.2103 -0.0038 -0.0038 -0.0011 -0.0011 6.4491 6.4491 7.6348 7.6348 7.7619 7.7619 9.2758 9.2758 11.6010 11.6010 11.7599 11.7605 k = 0.4296 0.4296 0.4296 ( 1995 PWs) bands (ev): -33.3153 -33.3153 -14.6242 -14.6242 -14.2492 -14.2492 -14.2490 -14.2490 -0.8058 -0.8058 -0.8016 -0.8016 -0.2113 -0.2113 -0.0006 -0.0006 0.0017 0.0017 6.5612 6.5612 7.6118 7.6118 7.7384 7.7384 9.1549 9.1549 11.6727 11.6727 11.8174 11.8175 k = 0.4366 0.4366 0.4366 ( 1983 PWs) bands (ev): -33.3151 -33.3151 -14.6247 -14.6247 -14.2498 -14.2498 -14.2496 -14.2496 -0.8052 -0.8052 -0.8017 -0.8017 -0.2122 -0.2122 0.0024 0.0024 0.0044 0.0044 6.6738 6.6738 7.5909 7.5909 7.7169 7.7169 9.0300 9.0300 11.7495 11.7495 11.8753 11.8754 k = 0.4437 0.4437 0.4437 ( 1980 PWs) bands (ev): -33.3150 -33.3150 -14.6253 -14.6253 -14.2503 -14.2503 -14.2502 -14.2502 -0.8046 -0.8046 -0.8020 -0.8020 -0.2131 -0.2131 0.0050 0.0050 0.0067 0.0067 6.7868 6.7868 7.5724 7.5724 7.6975 7.6975 8.9027 8.9027 11.8289 11.8289 11.9329 11.9333 k = 0.4507 0.4507 0.4507 ( 1980 PWs) bands (ev): -33.3149 -33.3149 -14.6258 -14.6258 -14.2508 -14.2508 -14.2508 -14.2508 -0.8041 -0.8041 -0.8023 -0.8023 -0.2138 -0.2138 0.0073 0.0073 0.0086 0.0086 6.8998 6.8998 7.5565 7.5565 7.6802 7.6802 8.7744 8.7744 11.9085 11.9085 11.9895 11.9904 k = 0.4577 0.4577 0.4577 ( 1980 PWs) bands (ev): -33.3147 -33.3147 -14.6262 -14.6262 -14.2513 -14.2513 -14.2512 -14.2512 -0.8038 -0.8038 -0.8024 -0.8024 -0.2145 -0.2145 0.0094 0.0094 0.0104 0.0104 7.0121 7.0121 7.5435 7.5435 7.6652 7.6652 8.6464 8.6464 11.9853 11.9853 12.0444 12.0446 k = 0.4648 0.4648 0.4648 ( 1992 PWs) bands (ev): -33.3147 -33.3147 -14.6266 -14.6266 -14.2517 -14.2517 -14.2517 -14.2517 -0.8036 -0.8036 -0.8027 -0.8027 -0.2152 -0.2152 0.0110 0.0110 0.0116 0.0116 7.1225 7.1225 7.5342 7.5342 7.6524 7.6524 8.5199 8.5199 12.0570 12.0570 12.0966 12.0969 k = 0.4718 0.4718 0.4718 ( 1992 PWs) bands (ev): -33.3146 -33.3146 -14.6269 -14.6269 -14.2520 -14.2520 -14.2520 -14.2520 -0.8033 -0.8033 -0.8029 -0.8029 -0.2156 -0.2156 0.0124 0.0124 0.0129 0.0129 7.2282 7.2282 7.5303 7.5303 7.6418 7.6418 8.3967 8.3967 12.1206 12.1206 12.1446 12.1447 k = 0.4789 0.4789 0.4789 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6272 -14.6272 -14.2523 -14.2523 -14.2523 -14.2523 -0.8034 -0.8034 -0.8030 -0.8030 -0.2162 -0.2162 0.0134 0.0134 0.0136 0.0136 7.3225 7.3225 7.5360 7.5360 7.6336 7.6336 8.2796 8.2796 12.1729 12.1729 12.1869 12.1875 k = 0.4859 0.4859 0.4859 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6274 -14.6274 -14.2525 -14.2525 -14.2525 -14.2525 -0.8033 -0.8033 -0.8031 -0.8031 -0.2164 -0.2164 0.0142 0.0142 0.0143 0.0143 7.3915 7.3915 7.5601 7.5601 7.6277 7.6277 8.1741 8.1741 12.2109 12.2109 12.2216 12.2221 k = 0.4930 0.4930 0.4930 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2526 -14.2526 -14.2526 -14.2526 -0.8032 -0.8032 -0.8031 -0.8031 -0.2166 -0.2166 0.0147 0.0147 0.0147 0.0147 7.4246 7.4246 7.6008 7.6008 7.6242 7.6242 8.0926 8.0926 12.2337 12.2339 12.2449 12.2451 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2527 -14.2527 -14.2527 -14.2527 -0.8031 -0.8031 -0.8031 -0.8031 -0.2166 -0.2166 0.0148 0.0148 0.0148 0.0148 7.4329 7.4329 7.6230 7.6230 7.6230 7.6230 8.0596 8.0596 12.2413 12.2415 12.2531 12.2531 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2527 -14.2527 -14.2527 -14.2527 -0.8031 -0.8031 -0.8031 -0.8031 -0.2166 -0.2166 0.0148 0.0148 0.0148 0.0148 7.4329 7.4329 7.6230 7.6230 7.6230 7.6230 8.0596 8.0596 12.2414 12.2415 12.2531 12.2531 k = 0.4914 0.5000 0.4914 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2526 -14.2526 -14.2526 -14.2526 -0.8032 -0.8032 -0.8031 -0.8031 -0.2166 -0.2166 0.0146 0.0146 0.0148 0.0148 7.4247 7.4247 7.6010 7.6010 7.6240 7.6240 8.0926 8.0926 12.2326 12.2326 12.2425 12.2428 k = 0.4828 0.5000 0.4828 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6274 -14.6274 -14.2526 -14.2526 -14.2524 -14.2524 -0.8033 -0.8033 -0.8031 -0.8031 -0.2164 -0.2164 0.0140 0.0140 0.0145 0.0145 7.3922 7.3922 7.5600 7.5600 7.6269 7.6269 8.1743 8.1743 12.2029 12.2029 12.2128 12.2129 k = 0.4741 0.5000 0.4741 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6272 -14.6272 -14.2526 -14.2526 -14.2521 -14.2521 -0.8034 -0.8034 -0.8030 -0.8030 -0.2162 -0.2162 0.0129 0.0129 0.0141 0.0141 7.3252 7.3252 7.5342 7.5342 7.6318 7.6318 8.2805 8.2805 12.1536 12.1536 12.1692 12.1692 k = 0.4655 0.5000 0.4655 ( 1992 PWs) bands (ev): -33.3146 -33.3146 -14.6269 -14.6269 -14.2524 -14.2524 -14.2516 -14.2516 -0.8033 -0.8033 -0.8028 -0.8028 -0.2156 -0.2156 0.0116 0.0116 0.0137 0.0137 7.2336 7.2336 7.5257 7.5257 7.6390 7.6390 8.3990 8.3990 12.0891 12.0891 12.1159 12.1159 k = 0.4569 0.5000 0.4569 ( 1992 PWs) bands (ev): -33.3147 -33.3147 -14.6266 -14.6266 -14.2523 -14.2523 -14.2510 -14.2510 -0.8036 -0.8036 -0.8027 -0.8027 -0.2152 -0.2152 0.0097 0.0097 0.0130 0.0130 7.1311 7.1311 7.5254 7.5254 7.6486 7.6486 8.5243 8.5243 12.0135 12.0135 12.0559 12.0559 k = 0.4483 0.5000 0.4483 ( 1980 PWs) bands (ev): -33.3147 -33.3147 -14.6262 -14.6262 -14.2522 -14.2522 -14.2503 -14.2503 -0.8037 -0.8037 -0.8025 -0.8025 -0.2145 -0.2145 0.0075 0.0075 0.0122 0.0122 7.0246 7.0246 7.5286 7.5286 7.6610 7.6610 8.6540 8.6540 11.9303 11.9303 11.9917 11.9917 k = 0.4397 0.5000 0.4397 ( 1976 PWs) bands (ev): -33.3148 -33.3148 -14.6258 -14.6258 -14.2520 -14.2520 -14.2495 -14.2495 -0.8040 -0.8040 -0.8023 -0.8023 -0.2138 -0.2138 0.0048 0.0048 0.0112 0.0112 6.9169 6.9169 7.5330 7.5330 7.6766 7.6766 8.7866 8.7866 11.8423 11.8423 11.9246 11.9246 k = 0.4310 0.5000 0.4310 ( 1982 PWs) bands (ev): -33.3150 -33.3150 -14.6253 -14.6253 -14.2519 -14.2519 -14.2487 -14.2487 -0.8045 -0.8045 -0.8022 -0.8022 -0.2131 -0.2131 0.0017 0.0017 0.0100 0.0100 6.8094 6.8094 7.5371 7.5371 7.6956 7.6956 8.9213 8.9213 11.7519 11.7519 11.8560 11.8560 k = 0.4224 0.5000 0.4224 ( 1986 PWs) bands (ev): -33.3151 -33.3151 -14.6248 -14.6248 -14.2517 -14.2517 -14.2477 -14.2477 -0.8051 -0.8051 -0.8020 -0.8020 -0.2123 -0.2123 -0.0018 -0.0018 0.0086 0.0086 6.7030 6.7030 7.5402 7.5402 7.7183 7.7183 9.0574 9.0574 11.6610 11.6610 11.7866 11.7866 k = 0.4138 0.5000 0.4138 ( 1990 PWs) bands (ev): -33.3153 -33.3153 -14.6242 -14.6242 -14.2515 -14.2515 -14.2466 -14.2466 -0.8056 -0.8056 -0.8018 -0.8018 -0.2114 -0.2114 -0.0056 -0.0056 0.0071 0.0071 6.5980 6.5980 7.5415 7.5415 7.7446 7.7446 9.1945 9.1945 11.5712 11.5712 11.7170 11.7170 k = 0.4052 0.5000 0.4052 ( 1992 PWs) bands (ev): -33.3155 -33.3155 -14.6236 -14.6236 -14.2513 -14.2513 -14.2454 -14.2454 -0.8062 -0.8062 -0.8016 -0.8016 -0.2103 -0.2103 -0.0098 -0.0098 0.0056 0.0056 6.4949 6.4949 7.5406 7.5406 7.7746 7.7746 9.3320 9.3320 11.4840 11.4840 11.6475 11.6475 k = 0.3966 0.5000 0.3966 ( 2004 PWs) bands (ev): -33.3157 -33.3157 -14.6229 -14.6229 -14.2512 -14.2512 -14.2442 -14.2442 -0.8068 -0.8068 -0.8015 -0.8015 -0.2093 -0.2093 -0.0144 -0.0144 0.0038 0.0038 6.3936 6.3936 7.5369 7.5369 7.8081 7.8081 9.4694 9.4694 11.4005 11.4005 11.5784 11.5784 k = 0.3879 0.5000 0.3879 ( 2004 PWs) bands (ev): -33.3159 -33.3159 -14.6222 -14.6222 -14.2509 -14.2509 -14.2428 -14.2428 -0.8073 -0.8073 -0.8013 -0.8013 -0.2079 -0.2079 -0.0190 -0.0190 0.0019 0.0019 6.2945 6.2945 7.5302 7.5302 7.8451 7.8451 9.6061 9.6061 11.3220 11.3220 11.5100 11.5100 k = 0.3793 0.5000 0.3793 ( 2004 PWs) bands (ev): -33.3161 -33.3161 -14.6214 -14.6214 -14.2506 -14.2506 -14.2413 -14.2413 -0.8079 -0.8079 -0.8011 -0.8011 -0.2065 -0.2065 -0.0238 -0.0238 -0.0001 -0.0001 6.1977 6.1977 7.5199 7.5199 7.8853 7.8853 9.7416 9.7416 11.2493 11.2493 11.4424 11.4424 k = 0.3707 0.5000 0.3707 ( 2008 PWs) bands (ev): -33.3163 -33.3163 -14.6205 -14.6205 -14.2504 -14.2504 -14.2397 -14.2397 -0.8084 -0.8084 -0.8009 -0.8009 -0.2050 -0.2050 -0.0288 -0.0288 -0.0022 -0.0022 6.1031 6.1031 7.5057 7.5057 7.9287 7.9287 9.8750 9.8750 11.1832 11.1832 11.3757 11.3757 k = 0.3621 0.5000 0.3621 ( 2008 PWs) bands (ev): -33.3166 -33.3166 -14.6197 -14.6197 -14.2501 -14.2501 -14.2380 -14.2380 -0.8089 -0.8089 -0.8007 -0.8007 -0.2032 -0.2032 -0.0340 -0.0340 -0.0044 -0.0044 6.0108 6.0108 7.4873 7.4873 7.9750 7.9750 10.0054 10.0054 11.1246 11.1246 11.3101 11.3101 k = 0.3534 0.5000 0.3534 ( 2004 PWs) bands (ev): -33.3168 -33.3168 -14.6187 -14.6187 -14.2497 -14.2497 -14.2362 -14.2362 -0.8094 -0.8094 -0.8005 -0.8005 -0.2014 -0.2014 -0.0391 -0.0391 -0.0066 -0.0066 5.9210 5.9210 7.4645 7.4645 8.0242 8.0242 10.1315 10.1315 11.0739 11.0739 11.2457 11.2457 k = 0.3448 0.5000 0.3448 ( 2012 PWs) bands (ev): -33.3171 -33.3171 -14.6178 -14.6178 -14.2494 -14.2494 -14.2344 -14.2344 -0.8100 -0.8100 -0.8004 -0.8004 -0.1995 -0.1995 -0.0446 -0.0446 -0.0092 -0.0092 5.8335 5.8335 7.4369 7.4369 8.0761 8.0761 10.2520 10.2520 11.0317 11.0317 11.1824 11.1824 k = 0.3362 0.5000 0.3362 ( 2012 PWs) bands (ev): -33.3174 -33.3174 -14.6168 -14.6168 -14.2491 -14.2491 -14.2325 -14.2325 -0.8105 -0.8105 -0.8002 -0.8002 -0.1975 -0.1975 -0.0499 -0.0499 -0.0116 -0.0116 5.7486 5.7486 7.4044 7.4044 8.1307 8.1307 10.3651 10.3651 10.9982 10.9982 11.1203 11.1203 k = 0.3276 0.5000 0.3276 ( 2012 PWs) bands (ev): -33.3177 -33.3177 -14.6158 -14.6158 -14.2487 -14.2487 -14.2305 -14.2305 -0.8109 -0.8109 -0.8000 -0.8000 -0.1953 -0.1953 -0.0554 -0.0554 -0.0142 -0.0142 5.6660 5.6660 7.3670 7.3670 8.1877 8.1877 10.4688 10.4688 10.9736 10.9736 11.0596 11.0596 k = 0.3190 0.5000 0.3190 ( 2012 PWs) bands (ev): -33.3179 -33.3179 -14.6148 -14.6148 -14.2483 -14.2483 -14.2285 -14.2285 -0.8114 -0.8114 -0.7998 -0.7998 -0.1930 -0.1930 -0.0608 -0.0608 -0.0168 -0.0168 5.5860 5.5860 7.3248 7.3248 8.2470 8.2470 10.5609 10.5609 10.9580 10.9580 11.0001 11.0001 k = 0.3103 0.5000 0.3103 ( 2020 PWs) bands (ev): -33.3183 -33.3183 -14.6138 -14.6138 -14.2480 -14.2480 -14.2264 -14.2264 -0.8118 -0.8118 -0.7998 -0.7998 -0.1907 -0.1907 -0.0662 -0.0662 -0.0196 -0.0196 5.5084 5.5084 7.2779 7.2779 8.3085 8.3085 10.6396 10.6396 10.9420 10.9420 10.9513 10.9513 k = 0.3017 0.5000 0.3017 ( 2024 PWs) bands (ev): -33.3186 -33.3186 -14.6128 -14.6128 -14.2476 -14.2476 -14.2243 -14.2243 -0.8123 -0.8123 -0.7996 -0.7996 -0.1882 -0.1882 -0.0715 -0.0715 -0.0224 -0.0224 5.4334 5.4334 7.2266 7.2266 8.3721 8.3721 10.7034 10.7034 10.8853 10.8853 10.9531 10.9531 k = 0.2931 0.5000 0.2931 ( 2024 PWs) bands (ev): -33.3189 -33.3189 -14.6118 -14.6118 -14.2472 -14.2472 -14.2221 -14.2221 -0.8126 -0.8126 -0.7994 -0.7994 -0.1856 -0.1856 -0.0767 -0.0767 -0.0252 -0.0252 5.3608 5.3608 7.1711 7.1711 8.4377 8.4377 10.7521 10.7521 10.8300 10.8300 10.9632 10.9632 k = 0.2845 0.5000 0.2845 ( 2020 PWs) bands (ev): -33.3192 -33.3192 -14.6107 -14.6107 -14.2467 -14.2467 -14.2199 -14.2199 -0.8129 -0.8129 -0.7992 -0.7992 -0.1829 -0.1829 -0.0816 -0.0816 -0.0279 -0.0279 5.2907 5.2907 7.1118 7.1118 8.5051 8.5051 10.7761 10.7761 10.7865 10.7865 10.9810 10.9810 k = 0.2759 0.5000 0.2759 ( 2016 PWs) bands (ev): -33.3195 -33.3195 -14.6096 -14.6096 -14.2462 -14.2462 -14.2176 -14.2176 -0.8131 -0.8131 -0.7991 -0.7991 -0.1802 -0.1802 -0.0864 -0.0864 -0.0307 -0.0307 5.2230 5.2230 7.0493 7.0493 8.5741 8.5741 10.7237 10.7237 10.8081 10.8081 11.0061 11.0061 k = 0.2672 0.5000 0.2672 ( 2016 PWs) bands (ev): -33.3198 -33.3198 -14.6085 -14.6085 -14.2458 -14.2458 -14.2154 -14.2154 -0.8134 -0.8134 -0.7989 -0.7989 -0.1774 -0.1774 -0.0909 -0.0909 -0.0335 -0.0335 5.1578 5.1578 6.9840 6.9840 8.6447 8.6447 10.6727 10.6727 10.8188 10.8188 11.0376 11.0376 k = 0.2586 0.5000 0.2586 ( 2012 PWs) bands (ev): -33.3201 -33.3201 -14.6075 -14.6075 -14.2453 -14.2453 -14.2131 -14.2131 -0.8137 -0.8137 -0.7986 -0.7986 -0.1746 -0.1746 -0.0952 -0.0952 -0.0363 -0.0363 5.0951 5.0951 6.9163 6.9163 8.7167 8.7167 10.6232 10.6232 10.8209 10.8209 11.0752 11.0752 k = 0.2500 0.5000 0.2500 ( 2012 PWs) bands (ev): -33.3205 -33.3205 -14.6064 -14.6064 -14.2448 -14.2448 -14.2108 -14.2108 -0.8140 -0.8140 -0.7983 -0.7983 -0.1719 -0.1719 -0.0992 -0.0992 -0.0391 -0.0391 5.0348 5.0348 6.8467 6.8467 8.7899 8.7899 10.5752 10.5752 10.8162 10.8162 11.1181 11.1181 k = 0.2414 0.5000 0.2414 ( 2014 PWs) bands (ev): -33.3208 -33.3208 -14.6054 -14.6054 -14.2443 -14.2443 -14.2085 -14.2085 -0.8144 -0.8144 -0.7981 -0.7981 -0.1693 -0.1693 -0.1029 -0.1029 -0.0419 -0.0419 4.9769 4.9769 6.7757 6.7757 8.8641 8.8641 10.5288 10.5288 10.8062 10.8062 11.1656 11.1656 k = 0.2328 0.5000 0.2328 ( 2018 PWs) bands (ev): -33.3211 -33.3211 -14.6044 -14.6044 -14.2438 -14.2438 -14.2062 -14.2062 -0.8148 -0.8148 -0.7978 -0.7978 -0.1668 -0.1668 -0.1061 -0.1061 -0.0448 -0.0448 4.9213 4.9213 6.7038 6.7038 8.9392 8.9392 10.4838 10.4838 10.7922 10.7922 11.2172 11.2172 k = 0.2241 0.5000 0.2241 ( 2018 PWs) bands (ev): -33.3214 -33.3214 -14.6034 -14.6034 -14.2433 -14.2433 -14.2040 -14.2040 -0.8152 -0.8152 -0.7975 -0.7975 -0.1645 -0.1645 -0.1088 -0.1088 -0.0475 -0.0475 4.8682 4.8682 6.6313 6.6313 9.0149 9.0149 10.4404 10.4404 10.7754 10.7754 11.2722 11.2722 k = 0.2155 0.5000 0.2155 ( 2010 PWs) bands (ev): -33.3218 -33.3218 -14.6024 -14.6024 -14.2428 -14.2428 -14.2017 -14.2017 -0.8155 -0.8155 -0.7970 -0.7970 -0.1624 -0.1624 -0.1108 -0.1108 -0.0501 -0.0501 4.8174 4.8174 6.5588 6.5588 9.0911 9.0911 10.3986 10.3986 10.7566 10.7566 11.3299 11.3299 k = 0.2069 0.5000 0.2069 ( 2010 PWs) bands (ev): -33.3221 -33.3221 -14.6015 -14.6015 -14.2423 -14.2423 -14.1994 -14.1994 -0.8159 -0.8159 -0.7965 -0.7965 -0.1607 -0.1607 -0.1123 -0.1123 -0.0527 -0.0527 4.7688 4.7688 6.4865 6.4865 9.1676 9.1676 10.3583 10.3583 10.7363 10.7363 11.3896 11.3896 k = 0.1983 0.5000 0.1983 ( 2018 PWs) bands (ev): -33.3224 -33.3224 -14.6006 -14.6006 -14.2418 -14.2418 -14.1973 -14.1973 -0.8166 -0.8166 -0.7961 -0.7961 -0.1595 -0.1595 -0.1132 -0.1132 -0.0554 -0.0554 4.7226 4.7226 6.4149 6.4149 9.2441 9.2441 10.3194 10.3194 10.7150 10.7150 11.4507 11.4507 k = 0.1897 0.5000 0.1897 ( 2018 PWs) bands (ev): -33.3227 -33.3227 -14.5997 -14.5997 -14.2413 -14.2413 -14.1951 -14.1951 -0.8171 -0.8171 -0.7956 -0.7956 -0.1586 -0.1586 -0.1133 -0.1133 -0.0578 -0.0578 4.6786 4.6786 6.3443 6.3443 9.3204 9.3204 10.2822 10.2822 10.6933 10.6933 11.5125 11.5125 k = 0.1810 0.5000 0.1810 ( 2006 PWs) bands (ev): -33.3230 -33.3230 -14.5988 -14.5988 -14.2408 -14.2408 -14.1929 -14.1929 -0.8176 -0.8176 -0.7949 -0.7949 -0.1580 -0.1580 -0.1126 -0.1126 -0.0601 -0.0601 4.6369 4.6369 6.2749 6.2749 9.3963 9.3963 10.2467 10.2467 10.6714 10.6714 11.5745 11.5745 k = 0.1724 0.5000 0.1724 ( 2006 PWs) bands (ev): -33.3233 -33.3233 -14.5980 -14.5980 -14.2403 -14.2403 -14.1909 -14.1909 -0.8183 -0.8183 -0.7942 -0.7942 -0.1580 -0.1580 -0.1115 -0.1115 -0.0623 -0.0623 4.5974 4.5974 6.2071 6.2071 9.4716 9.4716 10.2127 10.2127 10.6496 10.6496 11.6359 11.6359 k = 0.1638 0.5000 0.1638 ( 2006 PWs) bands (ev): -33.3235 -33.3235 -14.5972 -14.5972 -14.2398 -14.2398 -14.1889 -14.1889 -0.8190 -0.8190 -0.7935 -0.7935 -0.1582 -0.1582 -0.1099 -0.1099 -0.0645 -0.0645 4.5600 4.5600 6.1412 6.1412 9.5458 9.5458 10.1803 10.1803 10.6280 10.6280 11.6964 11.6964 k = 0.1552 0.5000 0.1552 ( 2006 PWs) bands (ev): -33.3238 -33.3238 -14.5964 -14.5964 -14.2393 -14.2393 -14.1869 -14.1869 -0.8197 -0.8197 -0.7928 -0.7928 -0.1586 -0.1586 -0.1079 -0.1079 -0.0666 -0.0666 4.5248 4.5248 6.0773 6.0773 9.6189 9.6189 10.1495 10.1495 10.6070 10.6070 11.7552 11.7552 k = 0.1466 0.5000 0.1466 ( 2006 PWs) bands (ev): -33.3241 -33.3241 -14.5957 -14.5957 -14.2389 -14.2389 -14.1850 -14.1850 -0.8205 -0.8205 -0.7921 -0.7921 -0.1591 -0.1591 -0.1056 -0.1056 -0.0685 -0.0685 4.4917 4.4917 6.0157 6.0157 9.6904 9.6904 10.1203 10.1203 10.5865 10.5865 11.8121 11.8121 k = 0.1379 0.5000 0.1379 ( 2010 PWs) bands (ev): -33.3243 -33.3243 -14.5950 -14.5950 -14.2384 -14.2384 -14.1833 -14.1833 -0.8214 -0.8214 -0.7914 -0.7914 -0.1598 -0.1598 -0.1031 -0.1031 -0.0704 -0.0704 4.4606 4.4606 5.9565 5.9565 9.7602 9.7602 10.0927 10.0927 10.5667 10.5667 11.8665 11.8665 k = 0.1293 0.5000 0.1293 ( 2018 PWs) bands (ev): -33.3246 -33.3246 -14.5944 -14.5944 -14.2380 -14.2380 -14.1816 -14.1816 -0.8223 -0.8223 -0.7908 -0.7908 -0.1606 -0.1606 -0.1006 -0.1006 -0.0722 -0.0722 4.4316 4.4316 5.9001 5.9001 9.8277 9.8277 10.0667 10.0667 10.5479 10.5479 11.9181 11.9181 k = 0.1207 0.5000 0.1207 ( 2018 PWs) bands (ev): -33.3248 -33.3248 -14.5938 -14.5938 -14.2376 -14.2376 -14.1799 -14.1799 -0.8231 -0.8231 -0.7900 -0.7900 -0.1612 -0.1612 -0.0979 -0.0979 -0.0738 -0.0738 4.4047 4.4047 5.8465 5.8465 9.8929 9.8929 10.0424 10.0424 10.5300 10.5300 11.9667 11.9667 k = 0.1121 0.5000 0.1121 ( 2022 PWs) bands (ev): -33.3251 -33.3251 -14.5933 -14.5933 -14.2372 -14.2372 -14.1784 -14.1784 -0.8240 -0.8240 -0.7894 -0.7894 -0.1619 -0.1619 -0.0953 -0.0953 -0.0753 -0.0753 4.3797 4.3797 5.7960 5.7960 9.9552 9.9552 10.0197 10.0197 10.5132 10.5132 12.0119 12.0119 k = 0.1034 0.5000 0.1034 ( 2022 PWs) bands (ev): -33.3253 -33.3253 -14.5928 -14.5928 -14.2368 -14.2368 -14.1770 -14.1770 -0.8248 -0.8248 -0.7887 -0.7887 -0.1624 -0.1624 -0.0926 -0.0926 -0.0766 -0.0766 4.3567 4.3567 5.7486 5.7486 9.9987 9.9987 10.0145 10.0145 10.4976 10.4976 12.0536 12.0536 k = 0.0948 0.5000 0.0948 ( 2022 PWs) bands (ev): -33.3254 -33.3254 -14.5923 -14.5923 -14.2365 -14.2365 -14.1756 -14.1756 -0.8255 -0.8255 -0.7880 -0.7880 -0.1629 -0.1629 -0.0901 -0.0901 -0.0778 -0.0778 4.3356 4.3356 5.7045 5.7045 9.9794 9.9794 10.0703 10.0703 10.4832 10.4832 12.0916 12.0916 k = 0.0862 0.5000 0.0862 ( 2020 PWs) bands (ev): -33.3256 -33.3256 -14.5918 -14.5918 -14.2361 -14.2361 -14.1744 -14.1744 -0.8262 -0.8262 -0.7874 -0.7874 -0.1633 -0.1633 -0.0876 -0.0876 -0.0789 -0.0789 4.3165 4.3165 5.6638 5.6638 9.9617 9.9617 10.1222 10.1222 10.4701 10.4701 12.1261 12.1261 k = 0.0776 0.5000 0.0776 ( 2012 PWs) bands (ev): -33.3258 -33.3258 -14.5914 -14.5914 -14.2358 -14.2358 -14.1732 -14.1732 -0.8268 -0.8268 -0.7867 -0.7867 -0.1636 -0.1636 -0.0853 -0.0853 -0.0797 -0.0797 4.2993 4.2993 5.6267 5.6267 9.9457 9.9457 10.1699 10.1699 10.4586 10.4586 12.1569 12.1569 k = 0.0690 0.5000 0.0690 ( 2012 PWs) bands (ev): -33.3259 -33.3259 -14.5910 -14.5910 -14.2355 -14.2355 -14.1721 -14.1721 -0.8274 -0.8274 -0.7862 -0.7862 -0.1639 -0.1639 -0.0833 -0.0833 -0.0804 -0.0804 4.2839 4.2839 5.5932 5.5932 9.9314 9.9314 10.2130 10.2130 10.4487 10.4487 12.1840 12.1840 k = 0.0603 0.5000 0.0603 ( 2016 PWs) bands (ev): -33.3260 -33.3260 -14.5907 -14.5907 -14.2353 -14.2353 -14.1712 -14.1712 -0.8280 -0.8280 -0.7858 -0.7858 -0.1642 -0.1642 -0.0823 -0.0823 -0.0803 -0.0803 4.2704 4.2704 5.5634 5.5634 9.9187 9.9187 10.2509 10.2509 10.4406 10.4406 12.2075 12.2075 k = 0.0517 0.5000 0.0517 ( 2014 PWs) bands (ev): -33.3262 -33.3262 -14.5905 -14.5905 -14.2350 -14.2350 -14.1704 -14.1704 -0.8285 -0.8285 -0.7853 -0.7853 -0.1644 -0.1644 -0.0825 -0.0825 -0.0791 -0.0791 4.2587 4.2587 5.5374 5.5374 9.9077 9.9077 10.2832 10.2832 10.4348 10.4348 12.2275 12.2275 k = 0.0431 0.5000 0.0431 ( 2012 PWs) bands (ev): -33.3262 -33.3262 -14.5902 -14.5902 -14.2348 -14.2348 -14.1697 -14.1697 -0.8289 -0.8289 -0.7849 -0.7849 -0.1645 -0.1645 -0.0829 -0.0829 -0.0777 -0.0777 4.2488 4.2488 5.5153 5.5153 9.8984 9.8984 10.3093 10.3093 10.4315 10.4315 12.2443 12.2443 k = 0.0345 0.5000 0.0345 ( 2024 PWs) bands (ev): -33.3263 -33.3263 -14.5901 -14.5901 -14.2348 -14.2348 -14.1692 -14.1692 -0.8294 -0.8294 -0.7848 -0.7848 -0.1647 -0.1647 -0.0835 -0.0835 -0.0767 -0.0767 4.2408 4.2408 5.4972 5.4972 9.8908 9.8908 10.3287 10.3287 10.4309 10.4309 12.2576 12.2576 k = 0.0259 0.5000 0.0259 ( 2024 PWs) bands (ev): -33.3264 -33.3264 -14.5899 -14.5899 -14.2346 -14.2346 -14.1688 -14.1688 -0.8297 -0.8297 -0.7845 -0.7845 -0.1648 -0.1648 -0.0838 -0.0838 -0.0758 -0.0758 4.2345 4.2345 5.4830 5.4830 9.8849 9.8849 10.3418 10.3418 10.4327 10.4327 12.2680 12.2680 k = 0.0172 0.5000 0.0172 ( 2024 PWs) bands (ev): -33.3264 -33.3264 -14.5898 -14.5898 -14.2345 -14.2345 -14.1685 -14.1685 -0.8299 -0.8299 -0.7844 -0.7844 -0.1649 -0.1649 -0.0841 -0.0841 -0.0751 -0.0751 4.2301 4.2301 5.4729 5.4729 9.8806 9.8806 10.3494 10.3494 10.4358 10.4358 12.2753 12.2753 k = 0.0086 0.5000 0.0086 ( 2028 PWs) bands (ev): -33.3265 -33.3265 -14.5898 -14.5898 -14.2345 -14.2345 -14.1683 -14.1683 -0.8300 -0.8300 -0.7844 -0.7844 -0.1649 -0.1649 -0.0843 -0.0843 -0.0747 -0.0747 4.2274 4.2274 5.4668 5.4668 9.8781 9.8781 10.3532 10.3532 10.4385 10.4385 12.2797 12.2797 k = 0.0000 0.5000-0.0000 ( 2040 PWs) bands (ev): -33.3265 -33.3265 -14.5898 -14.5898 -14.2346 -14.2346 -14.1683 -14.1683 -0.8303 -0.8303 -0.7844 -0.7844 -0.1651 -0.1651 -0.0845 -0.0845 -0.0747 -0.0747 4.2265 4.2265 5.4647 5.4647 9.8772 9.8772 10.3542 10.3542 10.4395 10.4395 12.2810 12.2810 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -33.3204 -33.3204 -14.6097 -14.6097 -14.2629 -14.2629 -14.1876 -14.1876 -0.8298 -0.8298 -0.8217 -0.8217 -0.1845 -0.1845 -0.1510 -0.1510 0.0119 0.0119 5.3045 5.3045 7.6160 7.6160 7.7429 7.7429 9.2632 9.2632 11.5080 11.5080 11.5129 11.5129 k = 0.5000 0.5000 0.0122 ( 2000 PWs) bands (ev): -33.3204 -33.3204 -14.6097 -14.6097 -14.2629 -14.2629 -14.1877 -14.1877 -0.8297 -0.8297 -0.8216 -0.8216 -0.1845 -0.1845 -0.1508 -0.1508 0.0119 0.0119 5.3059 5.3059 7.6159 7.6159 7.7428 7.7428 9.2656 9.2656 11.5085 11.5085 11.5135 11.5135 k = 0.5000 0.5000 0.0244 ( 2020 PWs) bands (ev): -33.3204 -33.3204 -14.6098 -14.6098 -14.2629 -14.2629 -14.1882 -14.1882 -0.8298 -0.8298 -0.8217 -0.8217 -0.1849 -0.1849 -0.1506 -0.1506 0.0118 0.0118 5.3099 5.3099 7.6155 7.6155 7.7424 7.7424 9.2725 9.2725 11.5101 11.5101 11.5150 11.5150 k = 0.5000 0.5000 0.0366 ( 2020 PWs) bands (ev): -33.3204 -33.3204 -14.6099 -14.6099 -14.2628 -14.2628 -14.1887 -14.1887 -0.8293 -0.8293 -0.8215 -0.8215 -0.1851 -0.1851 -0.1496 -0.1496 0.0117 0.0117 5.3167 5.3167 7.6149 7.6149 7.7419 7.7419 9.2842 9.2842 11.5131 11.5131 11.5180 11.5180 k = 0.5000 0.5000 0.0488 ( 2020 PWs) bands (ev): -33.3203 -33.3203 -14.6101 -14.6101 -14.2627 -14.2627 -14.1894 -14.1894 -0.8287 -0.8287 -0.8212 -0.8212 -0.1854 -0.1854 -0.1483 -0.1483 0.0117 0.0117 5.3262 5.3262 7.6140 7.6140 7.7410 7.7410 9.3006 9.3006 11.5172 11.5172 11.5221 11.5221 k = 0.5000 0.5000 0.0610 ( 2020 PWs) bands (ev): -33.3203 -33.3203 -14.6102 -14.6102 -14.2626 -14.2626 -14.1903 -14.1903 -0.8280 -0.8280 -0.8209 -0.8209 -0.1858 -0.1858 -0.1466 -0.1466 0.0116 0.0116 5.3383 5.3383 7.6129 7.6129 7.7400 7.7400 9.3216 9.3216 11.5226 11.5226 11.5274 11.5274 k = 0.5000 0.5000 0.0732 ( 2016 PWs) bands (ev): -33.3202 -33.3202 -14.6104 -14.6104 -14.2624 -14.2624 -14.1914 -14.1914 -0.8271 -0.8271 -0.8205 -0.8205 -0.1863 -0.1863 -0.1444 -0.1444 0.0116 0.0116 5.3533 5.3533 7.6115 7.6115 7.7386 7.7386 9.3473 9.3473 11.5293 11.5293 11.5341 11.5341 k = 0.5000 0.5000 0.0854 ( 2016 PWs) bands (ev): -33.3200 -33.3200 -14.6107 -14.6107 -14.2622 -14.2622 -14.1927 -14.1927 -0.8260 -0.8260 -0.8201 -0.8201 -0.1868 -0.1868 -0.1420 -0.1420 0.0115 0.0115 5.3709 5.3709 7.6099 7.6099 7.7371 7.7371 9.3775 9.3775 11.5372 11.5372 11.5419 11.5419 k = 0.5000 0.5000 0.0976 ( 2020 PWs) bands (ev): -33.3199 -33.3199 -14.6110 -14.6110 -14.2620 -14.2620 -14.1941 -14.1941 -0.8249 -0.8249 -0.8197 -0.8197 -0.1875 -0.1875 -0.1392 -0.1392 0.0115 0.0115 5.3913 5.3913 7.6080 7.6080 7.7353 7.7353 9.4123 9.4123 11.5464 11.5464 11.5510 11.5510 k = 0.5000 0.5000 0.1098 ( 2020 PWs) bands (ev): -33.3198 -33.3198 -14.6113 -14.6113 -14.2618 -14.2618 -14.1958 -14.1958 -0.8238 -0.8238 -0.8191 -0.8191 -0.1882 -0.1882 -0.1360 -0.1360 0.0115 0.0115 5.4145 5.4145 7.6059 7.6059 7.7332 7.7332 9.4517 9.4517 11.5568 11.5568 11.5613 11.5613 k = 0.5000 0.5000 0.1220 ( 2020 PWs) bands (ev): -33.3196 -33.3196 -14.6117 -14.6117 -14.2615 -14.2615 -14.1976 -14.1976 -0.8225 -0.8225 -0.8186 -0.8186 -0.1890 -0.1890 -0.1324 -0.1324 0.0115 0.0115 5.4405 5.4405 7.6035 7.6035 7.7309 7.7309 9.4957 9.4957 11.5686 11.5686 11.5730 11.5730 k = 0.5000 0.5000 0.1341 ( 2020 PWs) bands (ev): -33.3195 -33.3195 -14.6121 -14.6121 -14.2612 -14.2612 -14.1995 -14.1995 -0.8212 -0.8212 -0.8179 -0.8179 -0.1899 -0.1899 -0.1285 -0.1285 0.0114 0.0114 5.4694 5.4694 7.6009 7.6009 7.7283 7.7283 9.5441 9.5441 11.5818 11.5818 11.5861 11.5861 k = 0.5000 0.5000 0.1463 ( 2020 PWs) bands (ev): -33.3193 -33.3193 -14.6125 -14.6125 -14.2609 -14.2609 -14.2015 -14.2015 -0.8198 -0.8198 -0.8173 -0.8173 -0.1908 -0.1908 -0.1242 -0.1242 0.0114 0.0114 5.5010 5.5010 7.5979 7.5979 7.7255 7.7255 9.5969 9.5969 11.5964 11.5964 11.6006 11.6006 k = 0.5000 0.5000 0.1585 ( 2028 PWs) bands (ev): -33.3191 -33.3191 -14.6130 -14.6130 -14.2606 -14.2606 -14.2037 -14.2037 -0.8186 -0.8186 -0.8166 -0.8166 -0.1919 -0.1919 -0.1198 -0.1198 0.0113 0.0113 5.5356 5.5356 7.5948 7.5948 7.7224 7.7224 9.6541 9.6541 11.6124 11.6124 11.6165 11.6165 k = 0.5000 0.5000 0.1707 ( 2028 PWs) bands (ev): -33.3189 -33.3189 -14.6135 -14.6135 -14.2603 -14.2603 -14.2059 -14.2059 -0.8172 -0.8172 -0.8159 -0.8159 -0.1929 -0.1929 -0.1149 -0.1149 0.0113 0.0113 5.5730 5.5730 7.5914 7.5914 7.7191 7.7191 9.7156 9.7156 11.6297 11.6297 11.6337 11.6337 k = 0.5000 0.5000 0.1829 ( 2028 PWs) bands (ev): -33.3187 -33.3187 -14.6141 -14.6141 -14.2600 -14.2600 -14.2083 -14.2083 -0.8158 -0.8158 -0.8152 -0.8152 -0.1940 -0.1940 -0.1096 -0.1096 0.0113 0.0113 5.6134 5.6134 7.5878 7.5878 7.7155 7.7155 9.7814 9.7814 11.6485 11.6485 11.6524 11.6524 k = 0.5000 0.5000 0.1951 ( 2028 PWs) bands (ev): -33.3185 -33.3185 -14.6146 -14.6146 -14.2596 -14.2596 -14.2106 -14.2106 -0.8145 -0.8145 -0.8144 -0.8144 -0.1952 -0.1952 -0.1041 -0.1041 0.0113 0.0113 5.6567 5.6567 7.5839 7.5839 7.7117 7.7117 9.8514 9.8514 11.6683 11.6683 11.6724 11.6724 k = 0.5000 0.5000 0.2073 ( 2024 PWs) bands (ev): -33.3183 -33.3183 -14.6152 -14.6152 -14.2592 -14.2592 -14.2131 -14.2131 -0.8136 -0.8136 -0.8133 -0.8133 -0.1963 -0.1963 -0.0985 -0.0985 0.0116 0.0116 5.7030 5.7030 7.5798 7.5798 7.7077 7.7077 9.9256 9.9256 11.6105 11.6105 11.6917 11.6917 k = 0.5000 0.5000 0.2195 ( 2024 PWs) bands (ev): -33.3181 -33.3181 -14.6158 -14.6158 -14.2588 -14.2588 -14.2156 -14.2156 -0.8129 -0.8129 -0.8120 -0.8120 -0.1975 -0.1975 -0.0925 -0.0925 0.0117 0.0117 5.7523 5.7523 7.5756 7.5756 7.7035 7.7035 10.0037 10.0037 11.4393 11.4393 11.7140 11.7144 k = 0.5000 0.5000 0.2317 ( 2016 PWs) bands (ev): -33.3178 -33.3178 -14.6164 -14.6164 -14.2584 -14.2584 -14.2180 -14.2180 -0.8121 -0.8121 -0.8108 -0.8108 -0.1986 -0.1986 -0.0862 -0.0862 0.0118 0.0118 5.8047 5.8047 7.5712 7.5712 7.6992 7.6992 10.0858 10.0858 11.2667 11.2667 11.7381 11.7385 k = 0.5000 0.5000 0.2439 ( 2016 PWs) bands (ev): -33.3176 -33.3176 -14.6171 -14.6171 -14.2580 -14.2580 -14.2205 -14.2205 -0.8113 -0.8113 -0.8097 -0.8097 -0.1998 -0.1998 -0.0799 -0.0799 0.0119 0.0119 5.8601 5.8601 7.5667 7.5667 7.6946 7.6946 10.1718 10.1718 11.0936 11.0936 11.7636 11.7638 k = 0.5000 0.5000 0.2561 ( 2016 PWs) bands (ev): -33.3174 -33.3174 -14.6178 -14.6178 -14.2576 -14.2576 -14.2230 -14.2230 -0.8106 -0.8106 -0.8087 -0.8087 -0.2011 -0.2011 -0.0735 -0.0735 0.0121 0.0121 5.9185 5.9185 7.5620 7.5620 7.6900 7.6900 10.2615 10.2615 10.9207 10.9207 11.7903 11.7904 k = 0.5000 0.5000 0.2683 ( 2008 PWs) bands (ev): -33.3171 -33.3171 -14.6184 -14.6184 -14.2572 -14.2572 -14.2254 -14.2254 -0.8099 -0.8099 -0.8077 -0.8077 -0.2023 -0.2023 -0.0667 -0.0667 0.0122 0.0122 5.9801 5.9801 7.5573 7.5573 7.6852 7.6852 10.3548 10.3548 10.7482 10.7482 11.8180 11.8183 k = 0.5000 0.5000 0.2805 ( 2008 PWs) bands (ev): -33.3169 -33.3169 -14.6191 -14.6191 -14.2568 -14.2568 -14.2278 -14.2278 -0.8093 -0.8093 -0.8069 -0.8069 -0.2035 -0.2035 -0.0602 -0.0602 0.0124 0.0124 6.0448 6.0448 7.5526 7.5526 7.6804 7.6804 10.4515 10.4515 10.5765 10.5765 11.8467 11.8467 k = 0.5000 0.5000 0.2927 ( 2000 PWs) bands (ev): -33.3167 -33.3167 -14.6198 -14.6198 -14.2564 -14.2564 -14.2302 -14.2302 -0.8085 -0.8085 -0.8061 -0.8061 -0.2046 -0.2046 -0.0536 -0.0536 0.0126 0.0126 6.1126 6.1126 7.5478 7.5478 7.6756 7.6756 10.4060 10.4060 10.5516 10.5516 11.8762 11.8764 k = 0.5000 0.5000 0.3049 ( 2000 PWs) bands (ev): -33.3164 -33.3164 -14.6205 -14.6205 -14.2560 -14.2560 -14.2325 -14.2325 -0.8078 -0.8078 -0.8055 -0.8055 -0.2058 -0.2058 -0.0471 -0.0471 0.0128 0.0128 6.1836 6.1836 7.5431 7.5431 7.6708 7.6708 10.2369 10.2369 10.6548 10.6548 11.9063 11.9064 k = 0.5000 0.5000 0.3171 ( 2000 PWs) bands (ev): -33.3162 -33.3162 -14.6212 -14.6212 -14.2556 -14.2556 -14.2347 -14.2347 -0.8073 -0.8073 -0.8050 -0.8050 -0.2070 -0.2070 -0.0407 -0.0407 0.0130 0.0130 6.2577 6.2577 7.5384 7.5384 7.6660 7.6660 10.0694 10.0694 10.7609 10.7609 11.9367 11.9368 k = 0.5000 0.5000 0.3293 ( 2008 PWs) bands (ev): -33.3160 -33.3160 -14.6219 -14.6219 -14.2553 -14.2553 -14.2369 -14.2369 -0.8068 -0.8068 -0.8046 -0.8046 -0.2081 -0.2081 -0.0345 -0.0345 0.0129 0.0129 6.3350 6.3350 7.5339 7.5339 7.6613 7.6613 9.9038 9.9038 10.8697 10.8697 11.9674 11.9675 k = 0.5000 0.5000 0.3415 ( 2000 PWs) bands (ev): -33.3158 -33.3158 -14.6225 -14.6225 -14.2549 -14.2549 -14.2389 -14.2389 -0.8061 -0.8061 -0.8042 -0.8042 -0.2090 -0.2090 -0.0288 -0.0288 0.0133 0.0133 6.4153 6.4153 7.5295 7.5295 7.6567 7.6567 9.7403 9.7403 10.9809 10.9809 11.9980 11.9981 k = 0.5000 0.5000 0.3537 ( 2000 PWs) bands (ev): -33.3156 -33.3156 -14.6232 -14.6232 -14.2546 -14.2546 -14.2408 -14.2408 -0.8056 -0.8056 -0.8039 -0.8039 -0.2100 -0.2100 -0.0229 -0.0229 0.0135 0.0135 6.4987 6.4987 7.5254 7.5254 7.6523 7.6523 9.5792 9.5792 11.0943 11.0943 12.0281 12.0287 k = 0.5000 0.5000 0.3659 ( 2000 PWs) bands (ev): -33.3155 -33.3155 -14.6238 -14.6238 -14.2543 -14.2543 -14.2426 -14.2426 -0.8052 -0.8052 -0.8037 -0.8037 -0.2110 -0.2110 -0.0174 -0.0174 0.0137 0.0137 6.5852 6.5852 7.5215 7.5215 7.6481 7.6481 9.4205 9.4205 11.2094 11.2094 12.0576 12.0586 k = 0.5000 0.5000 0.3780 ( 1984 PWs) bands (ev): -33.3153 -33.3153 -14.6243 -14.6243 -14.2539 -14.2539 -14.2442 -14.2442 -0.8046 -0.8046 -0.8032 -0.8032 -0.2116 -0.2116 -0.0121 -0.0121 0.0140 0.0140 6.6745 6.6745 7.5181 7.5181 7.6441 7.6441 9.2647 9.2647 11.3259 11.3259 12.0869 12.0872 k = 0.5000 0.5000 0.3902 ( 1984 PWs) bands (ev): -33.3151 -33.3151 -14.6249 -14.6249 -14.2537 -14.2537 -14.2457 -14.2457 -0.8044 -0.8044 -0.8030 -0.8030 -0.2125 -0.2125 -0.0072 -0.0072 0.0142 0.0142 6.7665 6.7665 7.5151 7.5151 7.6404 7.6404 9.1117 9.1117 11.4431 11.4431 12.1116 12.1123 k = 0.5000 0.5000 0.4024 ( 1984 PWs) bands (ev): -33.3150 -33.3150 -14.6254 -14.6254 -14.2535 -14.2535 -14.2471 -14.2471 -0.8041 -0.8041 -0.8029 -0.8029 -0.2132 -0.2132 -0.0027 -0.0027 0.0143 0.0143 6.8610 6.8610 7.5126 7.5126 7.6369 7.6369 8.9621 8.9621 11.5603 11.5603 12.1371 12.1385 k = 0.5000 0.5000 0.4146 ( 1976 PWs) bands (ev): -33.3148 -33.3148 -14.6258 -14.6258 -14.2533 -14.2533 -14.2483 -14.2483 -0.8038 -0.8038 -0.8027 -0.8027 -0.2139 -0.2139 0.0016 0.0016 0.0145 0.0145 6.9576 6.9576 7.5110 7.5110 7.6338 7.6338 8.8161 8.8161 11.6767 11.6767 12.1609 12.1619 k = 0.5000 0.5000 0.4268 ( 1984 PWs) bands (ev): -33.3147 -33.3147 -14.6262 -14.6262 -14.2531 -14.2531 -14.2494 -14.2494 -0.8036 -0.8036 -0.8028 -0.8028 -0.2146 -0.2146 0.0051 0.0051 0.0145 0.0145 7.0554 7.0554 7.5105 7.5105 7.6310 7.6310 8.6741 8.6741 11.7910 11.7910 12.1818 12.1820 k = 0.5000 0.5000 0.4390 ( 1988 PWs) bands (ev): -33.3147 -33.3147 -14.6266 -14.6266 -14.2530 -14.2530 -14.2504 -14.2504 -0.8035 -0.8035 -0.8028 -0.8028 -0.2152 -0.2152 0.0081 0.0081 0.0146 0.0146 7.1532 7.1532 7.5120 7.5120 7.6287 7.6287 8.5371 8.5371 11.9015 11.9015 12.2005 12.2019 k = 0.5000 0.5000 0.4512 ( 1996 PWs) bands (ev): -33.3146 -33.3146 -14.6270 -14.6270 -14.2529 -14.2529 -14.2512 -14.2512 -0.8034 -0.8034 -0.8029 -0.8029 -0.2157 -0.2157 0.0106 0.0106 0.0147 0.0147 7.2477 7.2477 7.5173 7.5173 7.6266 7.6266 8.4061 8.4061 12.0056 12.0056 12.2163 12.2172 k = 0.5000 0.5000 0.4634 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6272 -14.6272 -14.2528 -14.2528 -14.2519 -14.2519 -0.8033 -0.8033 -0.8031 -0.8031 -0.2162 -0.2162 0.0123 0.0123 0.0147 0.0147 7.3324 7.3324 7.5306 7.5306 7.6251 7.6251 8.2838 8.2838 12.0993 12.0993 12.2289 12.2292 k = 0.5000 0.5000 0.4756 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6274 -14.6274 -14.2527 -14.2527 -14.2523 -14.2523 -0.8032 -0.8032 -0.8031 -0.8031 -0.2164 -0.2164 0.0137 0.0137 0.0148 0.0148 7.3942 7.3942 7.5600 7.5600 7.6239 7.6239 8.1753 8.1753 12.1767 12.1767 12.2383 12.2383 k = 0.5000 0.5000 0.4878 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2527 -14.2527 -14.2526 -14.2526 -0.8032 -0.8032 -0.8031 -0.8031 -0.2166 -0.2166 0.0146 0.0146 0.0148 0.0148 7.4248 7.4248 7.6015 7.6015 7.6233 7.6233 8.0927 8.0927 12.2281 12.2281 12.2454 12.2454 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -33.3145 -33.3145 -14.6275 -14.6275 -14.2527 -14.2527 -14.2527 -14.2527 -0.8031 -0.8031 -0.8031 -0.8031 -0.2166 -0.2166 0.0148 0.0148 0.0148 0.0148 7.4329 7.4329 7.6230 7.6230 7.6230 7.6230 8.0596 8.0596 12.2414 12.2415 12.2531 12.2531 Writing output data file CaCd.save init_run : 0.35s CPU 0.75s WALL ( 1 calls) electrons : 75.22s CPU 78.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 75.21s CPU 78.30s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 316 calls) cegterg : 71.99s CPU 73.57s WALL ( 740 calls) Called by sum_band: Called by *egterg: h_psi : 27.14s CPU 28.12s WALL ( 12286 calls) s_psi : 1.52s CPU 1.66s WALL ( 12286 calls) g_psi : 0.10s CPU 0.11s WALL ( 11230 calls) cdiaghg : 38.95s CPU 39.58s WALL ( 11546 calls) cegterg:over : 2.38s CPU 2.41s WALL ( 11230 calls) cegterg:upda : 1.75s CPU 1.78s WALL ( 11230 calls) cegterg:last : 0.98s CPU 0.96s WALL ( 1868 calls) cdiaghg:chol : 1.85s CPU 1.97s WALL ( 11546 calls) cdiaghg:inve : 0.78s CPU 0.84s WALL ( 11546 calls) cdiaghg:para : 2.29s CPU 2.39s WALL ( 23092 calls) Called by h_psi: h_psi:vloc : 23.58s CPU 24.43s WALL ( 12286 calls) h_psi:vnl : 3.51s CPU 3.64s WALL ( 12286 calls) add_vuspsi : 2.07s CPU 2.08s WALL ( 12286 calls) General routines calbec : 1.40s CPU 1.53s WALL ( 12286 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.41s CPU 21.31s WALL ( 659184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 632 calls) Parallel routines fft_scatter : 12.46s CPU 13.20s WALL ( 659207 calls) PWSCF : 1m23.00s CPU 2m 1.48s WALL This run was terminated on: 16:36:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=