Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:40:13 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: ./CaHg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 46 20 6 1428 415 70 Max 47 21 7 1431 427 75 Sum 1669 749 225 51435 15203 2553 bravais-lattice index = 14 lattice parameter (alat) = 7.1035 a.u. unit-cell volume = 358.4375 (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 = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.103480 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Hg 12.00 200.59000 Hg( 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= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 Dense grid: 51435 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 15203 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 112, 30) NL pseudopotentials 0.06 Mb ( 56, 68) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1430) G-vector shells 0.00 Mb ( 319) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 112, 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 : ./CaHg.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 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 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.0 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.5 secs Computing kpt #: 27 total cpu time spent up to now is 9.7 secs Computing kpt #: 28 total cpu time spent up to now is 9.9 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.5 secs Computing kpt #: 30 total cpu time spent up to now is 10.8 secs Computing kpt #: 31 total cpu time spent up to now is 11.1 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.6 secs Computing kpt #: 34 total cpu time spent up to now is 11.9 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.4 secs Computing kpt #: 41 total cpu time spent up to now is 13.6 secs Computing kpt #: 42 total cpu time spent up to now is 13.8 secs Computing kpt #: 43 total cpu time spent up to now is 14.1 secs Computing kpt #: 44 total cpu time spent up to now is 14.3 secs Computing kpt #: 45 total cpu time spent up to now is 14.5 secs Computing kpt #: 46 total cpu time spent up to now is 14.8 secs Computing kpt #: 47 total cpu time spent up to now is 15.0 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.4 secs Computing kpt #: 50 total cpu time spent up to now is 15.7 secs Computing kpt #: 51 total cpu time spent up to now is 15.9 secs Computing kpt #: 52 total cpu time spent up to now is 16.2 secs Computing kpt #: 53 total cpu time spent up to now is 16.5 secs Computing kpt #: 54 total cpu time spent up to now is 16.7 secs Computing kpt #: 55 total cpu time spent up to now is 17.0 secs Computing kpt #: 56 total cpu time spent up to now is 17.2 secs Computing kpt #: 57 total cpu time spent up to now is 17.5 secs Computing kpt #: 58 total cpu time spent up to now is 17.8 secs Computing kpt #: 59 total cpu time spent up to now is 18.0 secs Computing kpt #: 60 total cpu time spent up to now is 18.2 secs Computing kpt #: 61 total cpu time spent up to now is 18.4 secs Computing kpt #: 62 total cpu time spent up to now is 18.6 secs Computing kpt #: 63 total cpu time spent up to now is 18.9 secs Computing kpt #: 64 total cpu time spent up to now is 19.1 secs Computing kpt #: 65 total cpu time spent up to now is 19.3 secs Computing kpt #: 66 total cpu time spent up to now is 19.5 secs Computing kpt #: 67 total cpu time spent up to now is 19.7 secs Computing kpt #: 68 total cpu time spent up to now is 19.9 secs Computing kpt #: 69 total cpu time spent up to now is 20.1 secs Computing kpt #: 70 total cpu time spent up to now is 20.3 secs Computing kpt #: 71 total cpu time spent up to now is 20.5 secs Computing kpt #: 72 total cpu time spent up to now is 20.7 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.0 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 21.5 secs Computing kpt #: 78 total cpu time spent up to now is 21.7 secs Computing kpt #: 79 total cpu time spent up to now is 21.9 secs Computing kpt #: 80 total cpu time spent up to now is 22.1 secs Computing kpt #: 81 total cpu time spent up to now is 22.2 secs Computing kpt #: 82 total cpu time spent up to now is 22.4 secs Computing kpt #: 83 total cpu time spent up to now is 22.6 secs Computing kpt #: 84 total cpu time spent up to now is 22.8 secs Computing kpt #: 85 total cpu time spent up to now is 22.9 secs Computing kpt #: 86 total cpu time spent up to now is 23.1 secs Computing kpt #: 87 total cpu time spent up to now is 23.3 secs Computing kpt #: 88 total cpu time spent up to now is 23.5 secs Computing kpt #: 89 total cpu time spent up to now is 23.6 secs Computing kpt #: 90 total cpu time spent up to now is 23.8 secs Computing kpt #: 91 total cpu time spent up to now is 24.0 secs Computing kpt #: 92 total cpu time spent up to now is 24.2 secs Computing kpt #: 93 total cpu time spent up to now is 24.4 secs Computing kpt #: 94 total cpu time spent up to now is 24.5 secs Computing kpt #: 95 total cpu time spent up to now is 24.7 secs Computing kpt #: 96 total cpu time spent up to now is 24.9 secs Computing kpt #: 97 total cpu time spent up to now is 25.1 secs Computing kpt #: 98 total cpu time spent up to now is 25.3 secs Computing kpt #: 99 total cpu time spent up to now is 25.4 secs Computing kpt #: 100 total cpu time spent up to now is 25.6 secs Computing kpt #: 101 total cpu time spent up to now is 25.8 secs Computing kpt #: 102 total cpu time spent up to now is 26.0 secs Computing kpt #: 103 total cpu time spent up to now is 26.1 secs Computing kpt #: 104 total cpu time spent up to now is 26.3 secs Computing kpt #: 105 total cpu time spent up to now is 26.5 secs Computing kpt #: 106 total cpu time spent up to now is 26.7 secs Computing kpt #: 107 total cpu time spent up to now is 26.9 secs Computing kpt #: 108 total cpu time spent up to now is 27.1 secs Computing kpt #: 109 total cpu time spent up to now is 27.3 secs Computing kpt #: 110 total cpu time spent up to now is 27.4 secs Computing kpt #: 111 total cpu time spent up to now is 27.6 secs Computing kpt #: 112 total cpu time spent up to now is 27.8 secs Computing kpt #: 113 total cpu time spent up to now is 28.0 secs Computing kpt #: 114 total cpu time spent up to now is 28.2 secs Computing kpt #: 115 total cpu time spent up to now is 28.4 secs Computing kpt #: 116 total cpu time spent up to now is 28.6 secs Computing kpt #: 117 total cpu time spent up to now is 28.8 secs Computing kpt #: 118 total cpu time spent up to now is 29.0 secs Computing kpt #: 119 total cpu time spent up to now is 29.2 secs Computing kpt #: 120 total cpu time spent up to now is 29.4 secs Computing kpt #: 121 total cpu time spent up to now is 29.6 secs Computing kpt #: 122 total cpu time spent up to now is 29.8 secs Computing kpt #: 123 total cpu time spent up to now is 30.1 secs Computing kpt #: 124 total cpu time spent up to now is 30.3 secs Computing kpt #: 125 total cpu time spent up to now is 30.6 secs Computing kpt #: 126 total cpu time spent up to now is 30.9 secs Computing kpt #: 127 total cpu time spent up to now is 31.2 secs Computing kpt #: 128 total cpu time spent up to now is 31.4 secs Computing kpt #: 129 total cpu time spent up to now is 31.7 secs Computing kpt #: 130 total cpu time spent up to now is 32.0 secs Computing kpt #: 131 total cpu time spent up to now is 32.3 secs Computing kpt #: 132 total cpu time spent up to now is 32.6 secs Computing kpt #: 133 total cpu time spent up to now is 32.9 secs Computing kpt #: 134 total cpu time spent up to now is 33.3 secs Computing kpt #: 135 total cpu time spent up to now is 33.7 secs Computing kpt #: 136 total cpu time spent up to now is 34.0 secs Computing kpt #: 137 total cpu time spent up to now is 34.4 secs Computing kpt #: 138 total cpu time spent up to now is 34.7 secs Computing kpt #: 139 total cpu time spent up to now is 35.1 secs Computing kpt #: 140 total cpu time spent up to now is 35.5 secs Computing kpt #: 141 total cpu time spent up to now is 35.9 secs Computing kpt #: 142 total cpu time spent up to now is 36.2 secs Computing kpt #: 143 total cpu time spent up to now is 36.5 secs Computing kpt #: 144 total cpu time spent up to now is 36.9 secs Computing kpt #: 145 total cpu time spent up to now is 37.3 secs Computing kpt #: 146 total cpu time spent up to now is 37.7 secs Computing kpt #: 147 total cpu time spent up to now is 38.1 secs Computing kpt #: 148 total cpu time spent up to now is 38.4 secs Computing kpt #: 149 total cpu time spent up to now is 38.9 secs Computing kpt #: 150 total cpu time spent up to now is 39.3 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 40.0 secs Computing kpt #: 153 total cpu time spent up to now is 40.2 secs Computing kpt #: 154 total cpu time spent up to now is 40.5 secs Computing kpt #: 155 total cpu time spent up to now is 40.8 secs Computing kpt #: 156 total cpu time spent up to now is 41.0 secs Computing kpt #: 157 total cpu time spent up to now is 41.7 secs Computing kpt #: 158 total cpu time spent up to now is 41.9 secs Computing kpt #: 159 total cpu time spent up to now is 42.1 secs Computing kpt #: 160 total cpu time spent up to now is 42.4 secs Computing kpt #: 161 total cpu time spent up to now is 42.6 secs Computing kpt #: 162 total cpu time spent up to now is 42.8 secs Computing kpt #: 163 total cpu time spent up to now is 43.0 secs Computing kpt #: 164 total cpu time spent up to now is 43.2 secs Computing kpt #: 165 total cpu time spent up to now is 43.4 secs Computing kpt #: 166 total cpu time spent up to now is 43.5 secs Computing kpt #: 167 total cpu time spent up to now is 43.7 secs Computing kpt #: 168 total cpu time spent up to now is 43.9 secs Computing kpt #: 169 total cpu time spent up to now is 44.1 secs Computing kpt #: 170 total cpu time spent up to now is 44.3 secs Computing kpt #: 171 total cpu time spent up to now is 44.4 secs Computing kpt #: 172 total cpu time spent up to now is 44.6 secs Computing kpt #: 173 total cpu time spent up to now is 44.8 secs Computing kpt #: 174 total cpu time spent up to now is 45.0 secs Computing kpt #: 175 total cpu time spent up to now is 45.1 secs Computing kpt #: 176 total cpu time spent up to now is 45.3 secs Computing kpt #: 177 total cpu time spent up to now is 45.5 secs Computing kpt #: 178 total cpu time spent up to now is 45.7 secs Computing kpt #: 179 total cpu time spent up to now is 45.8 secs Computing kpt #: 180 total cpu time spent up to now is 46.0 secs Computing kpt #: 181 total cpu time spent up to now is 46.2 secs Computing kpt #: 182 total cpu time spent up to now is 46.3 secs Computing kpt #: 183 total cpu time spent up to now is 46.5 secs Computing kpt #: 184 total cpu time spent up to now is 46.7 secs Computing kpt #: 185 total cpu time spent up to now is 46.9 secs Computing kpt #: 186 total cpu time spent up to now is 47.1 secs Computing kpt #: 187 total cpu time spent up to now is 47.3 secs Computing kpt #: 188 total cpu time spent up to now is 47.5 secs Computing kpt #: 189 total cpu time spent up to now is 47.7 secs Computing kpt #: 190 total cpu time spent up to now is 47.9 secs Computing kpt #: 191 total cpu time spent up to now is 48.1 secs Computing kpt #: 192 total cpu time spent up to now is 48.4 secs Computing kpt #: 193 total cpu time spent up to now is 48.6 secs Computing kpt #: 194 total cpu time spent up to now is 48.9 secs Computing kpt #: 195 total cpu time spent up to now is 49.1 secs Computing kpt #: 196 total cpu time spent up to now is 49.4 secs Computing kpt #: 197 total cpu time spent up to now is 49.7 secs Computing kpt #: 198 total cpu time spent up to now is 50.0 secs Computing kpt #: 199 total cpu time spent up to now is 50.2 secs Computing kpt #: 200 total cpu time spent up to now is 50.5 secs Computing kpt #: 201 total cpu time spent up to now is 50.8 secs Computing kpt #: 202 total cpu time spent up to now is 51.1 secs Computing kpt #: 203 total cpu time spent up to now is 51.4 secs Computing kpt #: 204 total cpu time spent up to now is 51.7 secs Computing kpt #: 205 total cpu time spent up to now is 52.1 secs Computing kpt #: 206 total cpu time spent up to now is 52.4 secs Computing kpt #: 207 total cpu time spent up to now is 52.8 secs Computing kpt #: 208 total cpu time spent up to now is 53.1 secs Computing kpt #: 209 total cpu time spent up to now is 53.4 secs Computing kpt #: 210 total cpu time spent up to now is 53.8 secs Computing kpt #: 211 total cpu time spent up to now is 54.1 secs Computing kpt #: 212 total cpu time spent up to now is 54.4 secs Computing kpt #: 213 total cpu time spent up to now is 54.8 secs Computing kpt #: 214 total cpu time spent up to now is 55.1 secs Computing kpt #: 215 total cpu time spent up to now is 55.5 secs Computing kpt #: 216 total cpu time spent up to now is 55.8 secs Computing kpt #: 217 total cpu time spent up to now is 56.2 secs Computing kpt #: 218 total cpu time spent up to now is 56.6 secs Computing kpt #: 219 total cpu time spent up to now is 56.9 secs Computing kpt #: 220 total cpu time spent up to now is 57.3 secs Computing kpt #: 221 total cpu time spent up to now is 57.9 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 223 total cpu time spent up to now is 59.0 secs Computing kpt #: 224 total cpu time spent up to now is 59.3 secs Computing kpt #: 225 total cpu time spent up to now is 59.6 secs Computing kpt #: 226 total cpu time spent up to now is 59.9 secs Computing kpt #: 227 total cpu time spent up to now is 60.2 secs Computing kpt #: 228 total cpu time spent up to now is 60.4 secs Computing kpt #: 229 total cpu time spent up to now is 60.7 secs Computing kpt #: 230 total cpu time spent up to now is 60.9 secs Computing kpt #: 231 total cpu time spent up to now is 61.2 secs Computing kpt #: 232 total cpu time spent up to now is 61.4 secs Computing kpt #: 233 total cpu time spent up to now is 61.7 secs Computing kpt #: 234 total cpu time spent up to now is 61.9 secs Computing kpt #: 235 total cpu time spent up to now is 62.2 secs Computing kpt #: 236 total cpu time spent up to now is 62.4 secs Computing kpt #: 237 total cpu time spent up to now is 62.6 secs Computing kpt #: 238 total cpu time spent up to now is 62.9 secs Computing kpt #: 239 total cpu time spent up to now is 63.1 secs Computing kpt #: 240 total cpu time spent up to now is 63.3 secs Computing kpt #: 241 total cpu time spent up to now is 63.6 secs Computing kpt #: 242 total cpu time spent up to now is 63.8 secs Computing kpt #: 243 total cpu time spent up to now is 64.0 secs Computing kpt #: 244 total cpu time spent up to now is 64.2 secs Computing kpt #: 245 total cpu time spent up to now is 64.4 secs Computing kpt #: 246 total cpu time spent up to now is 64.7 secs Computing kpt #: 247 total cpu time spent up to now is 64.9 secs Computing kpt #: 248 total cpu time spent up to now is 65.1 secs Computing kpt #: 249 total cpu time spent up to now is 65.3 secs Computing kpt #: 250 total cpu time spent up to now is 65.5 secs Computing kpt #: 251 total cpu time spent up to now is 65.7 secs Computing kpt #: 252 total cpu time spent up to now is 65.9 secs Computing kpt #: 253 total cpu time spent up to now is 66.1 secs Computing kpt #: 254 total cpu time spent up to now is 66.3 secs Computing kpt #: 255 total cpu time spent up to now is 66.5 secs Computing kpt #: 256 total cpu time spent up to now is 66.7 secs Computing kpt #: 257 total cpu time spent up to now is 66.9 secs Computing kpt #: 258 total cpu time spent up to now is 67.0 secs Computing kpt #: 259 total cpu time spent up to now is 67.2 secs Computing kpt #: 260 total cpu time spent up to now is 67.4 secs Computing kpt #: 261 total cpu time spent up to now is 67.6 secs Computing kpt #: 262 total cpu time spent up to now is 67.8 secs Computing kpt #: 263 total cpu time spent up to now is 68.0 secs Computing kpt #: 264 total cpu time spent up to now is 68.2 secs Computing kpt #: 265 total cpu time spent up to now is 68.5 secs Computing kpt #: 266 total cpu time spent up to now is 68.7 secs Computing kpt #: 267 total cpu time spent up to now is 69.0 secs Computing kpt #: 268 total cpu time spent up to now is 69.2 secs Computing kpt #: 269 total cpu time spent up to now is 69.5 secs Computing kpt #: 270 total cpu time spent up to now is 69.7 secs Computing kpt #: 271 total cpu time spent up to now is 70.0 secs Computing kpt #: 272 total cpu time spent up to now is 70.3 secs Computing kpt #: 273 total cpu time spent up to now is 70.5 secs Computing kpt #: 274 total cpu time spent up to now is 70.7 secs Computing kpt #: 275 total cpu time spent up to now is 71.0 secs Computing kpt #: 276 total cpu time spent up to now is 71.2 secs Computing kpt #: 277 total cpu time spent up to now is 71.5 secs Computing kpt #: 278 total cpu time spent up to now is 71.7 secs Computing kpt #: 279 total cpu time spent up to now is 71.9 secs Computing kpt #: 280 total cpu time spent up to now is 72.2 secs Computing kpt #: 281 total cpu time spent up to now is 72.4 secs Computing kpt #: 282 total cpu time spent up to now is 72.7 secs Computing kpt #: 283 total cpu time spent up to now is 72.8 secs Computing kpt #: 284 total cpu time spent up to now is 73.0 secs Computing kpt #: 285 total cpu time spent up to now is 73.2 secs Computing kpt #: 286 total cpu time spent up to now is 73.4 secs Computing kpt #: 287 total cpu time spent up to now is 73.6 secs Computing kpt #: 288 total cpu time spent up to now is 73.8 secs Computing kpt #: 289 total cpu time spent up to now is 73.9 secs Computing kpt #: 290 total cpu time spent up to now is 74.1 secs Computing kpt #: 291 total cpu time spent up to now is 74.3 secs Computing kpt #: 292 total cpu time spent up to now is 74.5 secs Computing kpt #: 293 total cpu time spent up to now is 74.7 secs Computing kpt #: 294 total cpu time spent up to now is 75.0 secs Computing kpt #: 295 total cpu time spent up to now is 75.3 secs Computing kpt #: 296 total cpu time spent up to now is 75.6 secs Computing kpt #: 297 total cpu time spent up to now is 75.9 secs Computing kpt #: 298 total cpu time spent up to now is 76.3 secs Computing kpt #: 299 total cpu time spent up to now is 76.6 secs Computing kpt #: 300 total cpu time spent up to now is 76.9 secs Computing kpt #: 301 total cpu time spent up to now is 77.4 secs Computing kpt #: 302 total cpu time spent up to now is 77.8 secs Computing kpt #: 303 total cpu time spent up to now is 78.2 secs Computing kpt #: 304 total cpu time spent up to now is 78.6 secs Computing kpt #: 305 total cpu time spent up to now is 79.0 secs Computing kpt #: 306 total cpu time spent up to now is 79.3 secs Computing kpt #: 307 total cpu time spent up to now is 79.6 secs Computing kpt #: 308 total cpu time spent up to now is 80.0 secs Computing kpt #: 309 total cpu time spent up to now is 80.3 secs Computing kpt #: 310 total cpu time spent up to now is 80.8 secs Computing kpt #: 311 total cpu time spent up to now is 81.1 secs Computing kpt #: 312 total cpu time spent up to now is 81.4 secs Computing kpt #: 313 total cpu time spent up to now is 81.7 secs Computing kpt #: 314 total cpu time spent up to now is 82.0 secs Computing kpt #: 315 total cpu time spent up to now is 82.3 secs Computing kpt #: 316 total cpu time spent up to now is 82.6 secs Computing kpt #: 317 total cpu time spent up to now is 82.9 secs Computing kpt #: 318 total cpu time spent up to now is 83.2 secs Computing kpt #: 319 total cpu time spent up to now is 83.4 secs Computing kpt #: 320 total cpu time spent up to now is 83.7 secs Computing kpt #: 321 total cpu time spent up to now is 84.0 secs Computing kpt #: 322 total cpu time spent up to now is 84.3 secs Computing kpt #: 323 total cpu time spent up to now is 84.7 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.3 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.9 secs ethr = 4.55E-08, avg # of iterations = 37.6 total cpu time spent up to now is 85.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9814 -12.9814 -12.6014 -12.6014 -12.6014 -12.6014 1.3915 1.3915 1.3915 1.3915 2.3701 2.3701 3.1268 3.1268 3.1268 3.1268 3.4374 3.4374 11.4192 11.4192 11.4192 11.4192 13.1417 13.1417 14.0164 14.0164 14.0164 14.0167 k = 0.0000 0.0119-0.0000 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9815 -12.9815 -12.6016 -12.6016 -12.6014 -12.6014 1.3915 1.3915 1.3917 1.3917 2.3718 2.3718 3.1268 3.1268 3.1270 3.1270 3.4373 3.4373 11.4163 11.4163 11.4191 11.4191 13.1352 13.1352 14.0079 14.0079 14.0163 14.0163 k = 0.0000 0.0238-0.0000 ( 1879 PWs) bands (ev): -31.7641 -31.7641 -12.9817 -12.9817 -12.6021 -12.6021 -12.6014 -12.6014 1.3916 1.3916 1.3922 1.3922 2.3769 2.3769 3.1270 3.1270 3.1275 3.1275 3.4369 3.4369 11.4072 11.4072 11.4189 11.4189 13.1164 13.1164 13.9685 13.9685 14.0134 14.0134 k = 0.0000 0.0357-0.0000 ( 1891 PWs) bands (ev): -31.7640 -31.7640 -12.9820 -12.9820 -12.6027 -12.6027 -12.6015 -12.6015 1.3918 1.3918 1.3932 1.3932 2.3855 2.3855 3.1273 3.1273 3.1285 3.1285 3.4363 3.4363 11.3918 11.3918 11.4184 11.4184 13.0872 13.0872 13.9038 13.9038 14.0021 14.0022 k = 0.0000 0.0476-0.0000 ( 1891 PWs) bands (ev): -31.7639 -31.7639 -12.9824 -12.9824 -12.6035 -12.6035 -12.6014 -12.6014 1.3921 1.3921 1.3946 1.3946 2.3974 2.3974 3.1277 3.1277 3.1298 3.1298 3.4354 3.4354 11.3694 11.3694 11.4178 11.4178 13.0501 13.0501 13.8292 13.8292 13.9760 13.9760 k = 0.0000 0.0595-0.0000 ( 1887 PWs) bands (ev): -31.7638 -31.7638 -12.9828 -12.9828 -12.6045 -12.6045 -12.6013 -12.6013 1.3924 1.3924 1.3963 1.3963 2.4127 2.4127 3.1283 3.1283 3.1317 3.1317 3.4344 3.4344 11.3394 11.3394 11.4171 11.4171 13.0078 13.0078 13.7506 13.7506 13.9326 13.9326 k = 0.0000 0.0714-0.0000 ( 1887 PWs) bands (ev): -31.7637 -31.7637 -12.9834 -12.9834 -12.6058 -12.6058 -12.6011 -12.6011 1.3929 1.3929 1.3984 1.3984 2.4314 2.4314 3.1289 3.1289 3.1339 3.1339 3.4331 3.4331 11.3005 11.3005 11.4162 11.4162 12.9626 12.9626 13.6706 13.6706 13.8743 13.8743 k = 0.0000 0.0833-0.0000 ( 1887 PWs) bands (ev): -31.7636 -31.7636 -12.9840 -12.9840 -12.6073 -12.6073 -12.6010 -12.6010 1.3934 1.3934 1.4007 1.4007 2.4534 2.4534 3.1297 3.1297 3.1367 3.1367 3.4316 3.4316 11.2520 11.2520 11.4151 11.4151 12.9163 12.9163 13.5905 13.5905 13.8063 13.8063 k = 0.0000 0.0952-0.0000 ( 1887 PWs) bands (ev): -31.7634 -31.7634 -12.9847 -12.9847 -12.6090 -12.6090 -12.6008 -12.6008 1.3939 1.3939 1.4033 1.4033 2.4787 2.4787 3.1306 3.1306 3.1400 3.1400 3.4299 3.4299 11.1931 11.1931 11.4139 11.4139 12.8702 12.8702 13.5111 13.5111 13.7340 13.7340 k = 0.0000 0.1071-0.0000 ( 1887 PWs) bands (ev): -31.7632 -31.7632 -12.9856 -12.9856 -12.6108 -12.6108 -12.6006 -12.6006 1.3946 1.3946 1.4062 1.4062 2.5071 2.5071 3.1315 3.1315 3.1440 3.1440 3.4281 3.4281 11.1229 11.1229 11.4126 11.4126 12.8252 12.8252 13.4328 13.4328 13.6620 13.6620 k = 0.0000 0.1190-0.0000 ( 1895 PWs) bands (ev): -31.7630 -31.7630 -12.9865 -12.9865 -12.6129 -12.6129 -12.6005 -12.6005 1.3952 1.3952 1.4092 1.4092 2.5387 2.5387 3.1325 3.1325 3.1487 3.1487 3.4260 3.4260 11.0411 11.0411 11.4111 11.4111 12.7817 12.7817 13.3559 13.3559 13.5939 13.5939 k = 0.0000 0.1310-0.0000 ( 1887 PWs) bands (ev): -31.7628 -31.7628 -12.9875 -12.9875 -12.6150 -12.6150 -12.6002 -12.6002 1.3960 1.3960 1.4124 1.4124 2.5731 2.5731 3.1337 3.1337 3.1544 3.1544 3.4239 3.4239 10.9477 10.9477 11.4095 11.4095 12.7393 12.7393 13.2805 13.2805 13.5328 13.5328 k = 0.0000 0.1429-0.0000 ( 1887 PWs) bands (ev): -31.7625 -31.7625 -12.9886 -12.9886 -12.6173 -12.6173 -12.6000 -12.6000 1.3968 1.3968 1.4157 1.4157 2.6103 2.6103 3.1348 3.1348 3.1610 3.1610 3.4216 3.4216 10.8429 10.8429 11.4078 11.4078 12.6974 12.6974 13.2069 13.2069 13.4809 13.4809 k = 0.0000 0.1548-0.0000 ( 1887 PWs) bands (ev): -31.7623 -31.7623 -12.9898 -12.9898 -12.6197 -12.6197 -12.5997 -12.5997 1.3976 1.3976 1.4192 1.4192 2.6499 2.6499 3.1360 3.1360 3.1690 3.1690 3.4192 3.4192 10.7275 10.7275 11.4059 11.4059 12.6552 12.6552 13.1350 13.1350 13.4401 13.4401 k = 0.0000 0.1667-0.0000 ( 1887 PWs) bands (ev): -31.7620 -31.7620 -12.9911 -12.9911 -12.6223 -12.6223 -12.5994 -12.5994 1.3985 1.3985 1.4226 1.4226 2.6916 2.6916 3.1373 3.1373 3.1787 3.1787 3.4167 3.4167 10.6023 10.6023 11.4039 11.4039 12.6122 12.6122 13.0651 13.0651 13.4113 13.4113 k = 0.0000 0.1786-0.0000 ( 1883 PWs) bands (ev): -31.7617 -31.7617 -12.9925 -12.9925 -12.6249 -12.6249 -12.5991 -12.5991 1.3994 1.3994 1.4261 1.4261 2.7348 2.7348 3.1386 3.1386 3.1905 3.1905 3.4142 3.4142 10.4684 10.4684 11.4018 11.4018 12.5678 12.5678 12.9972 12.9972 13.3951 13.3951 k = 0.0000 0.1905-0.0000 ( 1895 PWs) bands (ev): -31.7615 -31.7615 -12.9940 -12.9940 -12.6276 -12.6276 -12.5988 -12.5988 1.4004 1.4004 1.4296 1.4296 2.7789 2.7789 3.1398 3.1398 3.2051 3.2051 3.4116 3.4116 10.3269 10.3269 11.3997 11.3997 12.5218 12.5218 12.9312 12.9312 13.3910 13.3910 k = 0.0000 0.2024-0.0000 ( 1895 PWs) bands (ev): -31.7612 -31.7612 -12.9955 -12.9955 -12.6304 -12.6304 -12.5985 -12.5985 1.4013 1.4013 1.4331 1.4331 2.8229 2.8229 3.1411 3.1411 3.2235 3.2235 3.4090 3.4090 10.1789 10.1789 11.3974 11.3974 12.4746 12.4746 12.8674 12.8674 13.3985 13.3985 k = 0.0000 0.2143-0.0000 ( 1895 PWs) bands (ev): -31.7608 -31.7608 -12.9971 -12.9971 -12.6331 -12.6331 -12.5982 -12.5982 1.4023 1.4023 1.4365 1.4365 2.8656 2.8656 3.1424 3.1424 3.2466 3.2466 3.4064 3.4064 10.0255 10.0255 11.3951 11.3951 12.4266 12.4266 12.8057 12.8057 13.4163 13.4163 k = 0.0000 0.2262-0.0000 ( 1891 PWs) bands (ev): -31.7605 -31.7605 -12.9987 -12.9987 -12.6359 -12.6359 -12.5979 -12.5979 1.4033 1.4033 1.4399 1.4399 2.9057 2.9057 3.1436 3.1436 3.2759 3.2759 3.4039 3.4039 9.8678 9.8678 11.3927 11.3927 12.3784 12.3784 12.7463 12.7463 13.4436 13.4436 k = 0.0000 0.2381-0.0000 ( 1891 PWs) bands (ev): -31.7602 -31.7602 -13.0004 -13.0004 -12.6387 -12.6387 -12.5975 -12.5975 1.4043 1.4043 1.4431 1.4431 2.9419 2.9419 3.1449 3.1449 3.3123 3.3123 3.4013 3.4013 9.7067 9.7067 11.3903 11.3903 12.3303 12.3303 12.6891 12.6891 13.4789 13.4789 k = 0.0000 0.2500-0.0000 ( 1891 PWs) bands (ev): -31.7599 -31.7599 -13.0021 -13.0021 -12.6414 -12.6414 -12.5972 -12.5972 1.4053 1.4053 1.4463 1.4463 2.9734 2.9734 3.1460 3.1460 3.3569 3.3569 3.3989 3.3989 9.5431 9.5431 11.3879 11.3879 12.2829 12.2829 12.6341 12.6341 13.5214 13.5214 k = 0.0000 0.2619-0.0000 ( 1891 PWs) bands (ev): -31.7596 -31.7596 -13.0038 -13.0038 -12.6441 -12.6441 -12.5969 -12.5969 1.4063 1.4063 1.4493 1.4493 2.9998 2.9998 3.1471 3.1471 3.3965 3.3965 3.4096 3.4096 9.3777 9.3777 11.3855 11.3855 12.2366 12.2366 12.5814 12.5814 13.5701 13.5701 k = 0.0000 0.2738-0.0000 ( 1899 PWs) bands (ev): -31.7593 -31.7593 -13.0057 -13.0057 -12.6468 -12.6468 -12.5966 -12.5966 1.4073 1.4073 1.4522 1.4522 3.0216 3.0216 3.1482 3.1482 3.3942 3.3942 3.4699 3.4699 9.2112 9.2112 11.3830 11.3830 12.1915 12.1915 12.5310 12.5310 13.6240 13.6240 k = 0.0000 0.2857-0.0000 ( 1899 PWs) bands (ev): -31.7590 -31.7590 -13.0075 -13.0075 -12.6494 -12.6494 -12.5963 -12.5963 1.4083 1.4083 1.4550 1.4550 3.0395 3.0395 3.1492 3.1492 3.3920 3.3920 3.5370 3.5370 9.0443 9.0443 11.3805 11.3805 12.1481 12.1481 12.4831 12.4831 13.6825 13.6825 k = 0.0000 0.2976-0.0000 ( 1907 PWs) bands (ev): -31.7587 -31.7587 -13.0093 -13.0093 -12.6519 -12.6519 -12.5960 -12.5960 1.4092 1.4092 1.4576 1.4576 3.0543 3.0543 3.1501 3.1501 3.3899 3.3899 3.6099 3.6099 8.8776 8.8776 11.3781 11.3781 12.1064 12.1064 12.4375 12.4375 13.7446 13.7446 k = 0.0000 0.3095-0.0000 ( 1907 PWs) bands (ev): -31.7584 -31.7584 -13.0111 -13.0111 -12.6543 -12.6543 -12.5957 -12.5957 1.4101 1.4101 1.4601 1.4601 3.0666 3.0666 3.1509 3.1509 3.3880 3.3880 3.6878 3.6878 8.7116 8.7116 11.3757 11.3757 12.0667 12.0667 12.3944 12.3944 13.8098 13.8098 k = 0.0000 0.3214-0.0000 ( 1907 PWs) bands (ev): -31.7581 -31.7581 -13.0129 -13.0129 -12.6566 -12.6566 -12.5954 -12.5954 1.4110 1.4110 1.4624 1.4624 3.0770 3.0770 3.1517 3.1517 3.3862 3.3862 3.7698 3.7698 8.5470 8.5470 11.3734 11.3734 12.0291 12.0291 12.3537 12.3537 13.8773 13.8773 k = 0.0000 0.3333-0.0000 ( 1916 PWs) bands (ev): -31.7578 -31.7578 -13.0146 -13.0146 -12.6589 -12.6589 -12.5951 -12.5951 1.4118 1.4118 1.4645 1.4645 3.0859 3.0859 3.1523 3.1523 3.3845 3.3845 3.8552 3.8552 8.3842 8.3842 11.3711 11.3711 11.9935 11.9935 12.3155 12.3155 13.9401 13.9463 k = 0.0000 0.3452-0.0000 ( 1900 PWs) bands (ev): -31.7575 -31.7575 -13.0162 -13.0162 -12.6608 -12.6608 -12.5948 -12.5948 1.4127 1.4127 1.4665 1.4665 3.0937 3.0937 3.1529 3.1529 3.3830 3.3830 3.9435 3.9435 8.2239 8.2239 11.3690 11.3690 11.9603 11.9603 12.2800 12.2800 13.9304 13.9304 k = 0.0000 0.3571-0.0000 ( 1900 PWs) bands (ev): -31.7573 -31.7573 -13.0178 -13.0178 -12.6628 -12.6628 -12.5945 -12.5945 1.4134 1.4134 1.4683 1.4683 3.1004 3.1004 3.1534 3.1534 3.3816 3.3816 4.0339 4.0339 8.0665 8.0665 11.3669 11.3669 11.9293 11.9293 12.2469 12.2469 13.9265 13.9265 k = 0.0000 0.3690-0.0000 ( 1900 PWs) bands (ev): -31.7570 -31.7570 -13.0194 -13.0194 -12.6646 -12.6646 -12.5943 -12.5943 1.4141 1.4141 1.4700 1.4700 3.1064 3.1064 3.1539 3.1539 3.3803 3.3803 4.1258 4.1258 7.9128 7.9128 11.3649 11.3649 11.9007 11.9007 12.2163 12.2163 13.9229 13.9229 k = 0.0000 0.3810-0.0000 ( 1900 PWs) bands (ev): -31.7568 -31.7568 -13.0208 -13.0208 -12.6663 -12.6663 -12.5940 -12.5940 1.4148 1.4148 1.4715 1.4715 3.1116 3.1116 3.1543 3.1543 3.3792 3.3792 4.2184 4.2184 7.7636 7.7636 11.3631 11.3631 11.8744 11.8744 12.1884 12.1884 13.9195 13.9195 k = 0.0000 0.3929-0.0000 ( 1896 PWs) bands (ev): -31.7566 -31.7566 -13.0222 -13.0222 -12.6677 -12.6677 -12.5938 -12.5938 1.4154 1.4154 1.4729 1.4729 3.1162 3.1162 3.1546 3.1546 3.3782 3.3782 4.3110 4.3110 7.6197 7.6197 11.3614 11.3614 11.8505 11.8505 12.1631 12.1631 13.9164 13.9164 k = 0.0000 0.4048-0.0000 ( 1904 PWs) bands (ev): -31.7564 -31.7564 -13.0235 -13.0235 -12.6691 -12.6691 -12.5937 -12.5937 1.4160 1.4160 1.4741 1.4741 3.1202 3.1202 3.1548 3.1548 3.3773 3.3773 4.4025 4.4025 7.4821 7.4821 11.3598 11.3598 11.8291 11.8291 12.1403 12.1403 13.9135 13.9135 k = 0.0000 0.4167-0.0000 ( 1896 PWs) bands (ev): -31.7562 -31.7562 -13.0246 -13.0246 -12.6703 -12.6703 -12.5935 -12.5935 1.4165 1.4165 1.4751 1.4751 3.1237 3.1237 3.1550 3.1550 3.3765 3.3765 4.4916 4.4916 7.3523 7.3523 11.3585 11.3585 11.8102 11.8102 12.1203 12.1203 13.9110 13.9110 k = 0.0000 0.4286-0.0000 ( 1896 PWs) bands (ev): -31.7561 -31.7561 -13.0256 -13.0256 -12.6714 -12.6714 -12.5933 -12.5933 1.4169 1.4169 1.4760 1.4760 3.1267 3.1267 3.1552 3.1552 3.3759 3.3759 4.5767 4.5767 7.2318 7.2318 11.3573 11.3573 11.7937 11.7937 12.1028 12.1028 13.9088 13.9088 k = 0.0000 0.4405-0.0000 ( 1896 PWs) bands (ev): -31.7560 -31.7560 -13.0264 -13.0264 -12.6723 -12.6723 -12.5932 -12.5932 1.4173 1.4173 1.4768 1.4768 3.1293 3.1293 3.1553 3.1553 3.3754 3.3754 4.6558 4.6558 7.1227 7.1227 11.3562 11.3562 11.7797 11.7797 12.0881 12.0881 13.9069 13.9069 k = 0.0000 0.4524-0.0000 ( 1896 PWs) bands (ev): -31.7558 -31.7558 -13.0271 -13.0271 -12.6730 -12.6730 -12.5931 -12.5931 1.4176 1.4176 1.4774 1.4774 3.1313 3.1313 3.1554 3.1554 3.3750 3.3750 4.7266 4.7266 7.0273 7.0273 11.3553 11.3553 11.7683 11.7683 12.0760 12.0760 13.9053 13.9053 k = 0.0000 0.4643-0.0000 ( 1896 PWs) bands (ev): -31.7558 -31.7558 -13.0277 -13.0277 -12.6736 -12.6736 -12.5930 -12.5930 1.4178 1.4178 1.4779 1.4779 3.1329 3.1329 3.1555 3.1555 3.3746 3.3746 4.7863 4.7863 6.9484 6.9484 11.3546 11.3546 11.7594 11.7594 12.0666 12.0666 13.9041 13.9041 k = 0.0000 0.4762-0.0000 ( 1888 PWs) bands (ev): -31.7557 -31.7557 -13.0281 -13.0281 -12.6740 -12.6740 -12.5929 -12.5929 1.4180 1.4180 1.4782 1.4782 3.1340 3.1340 3.1555 3.1555 3.3744 3.3744 4.8320 4.8320 6.8890 6.8890 11.3542 11.3542 11.7531 11.7531 12.0599 12.0599 13.9032 13.9032 k = 0.0000 0.4881-0.0000 ( 1888 PWs) bands (ev): -31.7557 -31.7557 -13.0283 -13.0283 -12.6742 -12.6742 -12.5928 -12.5928 1.4181 1.4181 1.4784 1.4784 3.1347 3.1347 3.1556 3.1556 3.3743 3.3743 4.8607 4.8607 6.8521 6.8521 11.3539 11.3539 11.7493 11.7493 12.0559 12.0559 13.9027 13.9027 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0284 -13.0284 -12.6743 -12.6743 -12.5928 -12.5928 1.4181 1.4181 1.4785 1.4785 3.1349 3.1349 3.1556 3.1556 3.3742 3.3742 4.8706 4.8706 6.8395 6.8395 11.3538 11.3538 11.7480 11.7480 12.0545 12.0545 13.9025 13.9025 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0284 -13.0284 -12.6743 -12.6743 -12.5928 -12.5928 1.4181 1.4181 1.4785 1.4785 3.1349 3.1349 3.1556 3.1556 3.3742 3.3742 4.8706 4.8706 6.8395 6.8395 11.3538 11.3538 11.7480 11.7480 12.0545 12.0545 13.9025 13.9025 k = 0.0119 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0284 -13.0284 -12.6743 -12.6743 -12.5929 -12.5929 1.4182 1.4182 1.4784 1.4784 3.1352 3.1352 3.1555 3.1555 3.3739 3.3739 4.8711 4.8711 6.8418 6.8418 11.3550 11.3550 11.7474 11.7474 12.0540 12.0540 13.9016 13.9016 k = 0.0238 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0285 -13.0285 -12.6744 -12.6744 -12.5931 -12.5931 1.4183 1.4183 1.4784 1.4784 3.1360 3.1360 3.1555 3.1555 3.3728 3.3728 4.8725 4.8725 6.8487 6.8487 11.3585 11.3585 11.7456 11.7456 12.0525 12.0525 13.8990 13.8990 k = 0.0357 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7556 -31.7556 -13.0286 -13.0286 -12.6745 -12.6745 -12.5935 -12.5935 1.4185 1.4185 1.4782 1.4782 3.1373 3.1373 3.1554 3.1554 3.3710 3.3710 4.8749 4.8749 6.8602 6.8602 11.3643 11.3643 11.7419 11.7419 12.0507 12.0507 13.8946 13.8946 k = 0.0476 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7555 -31.7555 -13.0287 -13.0287 -12.6747 -12.6747 -12.5940 -12.5940 1.4188 1.4188 1.4781 1.4781 3.1388 3.1388 3.1556 3.1556 3.3685 3.3685 4.8783 4.8783 6.8762 6.8762 11.3725 11.3725 11.7354 11.7354 12.0495 12.0495 13.8887 13.8887 k = 0.0595 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7554 -31.7554 -13.0289 -13.0289 -12.6749 -12.6749 -12.5946 -12.5946 1.4191 1.4191 1.4779 1.4779 3.1404 3.1404 3.1562 3.1562 3.3653 3.3653 4.8828 4.8828 6.8968 6.8968 11.3829 11.3829 11.7250 11.7250 12.0498 12.0498 13.8810 13.8810 k = 0.0714 0.5000-0.0000 ( 1886 PWs) bands (ev): -31.7553 -31.7553 -13.0290 -13.0290 -12.6751 -12.6751 -12.5953 -12.5953 1.4194 1.4194 1.4776 1.4776 3.1415 3.1415 3.1577 3.1577 3.3617 3.3617 4.8883 4.8883 6.9217 6.9217 11.3953 11.3953 11.7095 11.7095 12.0531 12.0531 13.8718 13.8718 k = 0.0833 0.5000-0.0000 ( 1886 PWs) bands (ev): -31.7551 -31.7551 -13.0293 -13.0293 -12.6754 -12.6754 -12.5962 -12.5962 1.4198 1.4198 1.4773 1.4773 3.1419 3.1419 3.1603 3.1603 3.3575 3.3575 4.8949 4.8949 6.9510 6.9510 11.4097 11.4097 11.6878 11.6878 12.0602 12.0602 13.8611 13.8611 k = 0.0952 0.5000-0.0000 ( 1882 PWs) bands (ev): -31.7550 -31.7550 -13.0295 -13.0295 -12.6758 -12.6758 -12.5971 -12.5971 1.4201 1.4201 1.4770 1.4770 3.1416 3.1416 3.1640 3.1640 3.3529 3.3529 4.9027 4.9027 6.9846 6.9846 11.4260 11.4260 11.6593 11.6593 12.0717 12.0717 13.8490 13.8490 k = 0.1071 0.5000-0.0000 ( 1886 PWs) bands (ev): -31.7548 -31.7548 -13.0298 -13.0298 -12.6763 -12.6763 -12.5981 -12.5981 1.4203 1.4203 1.4766 1.4766 3.1406 3.1406 3.1687 3.1687 3.3481 3.3481 4.9117 4.9117 7.0223 7.0223 11.4438 11.4438 11.6237 11.6237 12.0880 12.0880 13.8355 13.8355 k = 0.1190 0.5000-0.0000 ( 1894 PWs) bands (ev): -31.7546 -31.7546 -13.0302 -13.0302 -12.6769 -12.6769 -12.5993 -12.5993 1.4205 1.4205 1.4761 1.4761 3.1392 3.1392 3.1739 3.1739 3.3431 3.3431 4.9220 4.9220 7.0640 7.0640 11.4626 11.4626 11.5815 11.5815 12.1088 12.1088 13.8209 13.8209 k = 0.1310 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7544 -31.7544 -13.0306 -13.0306 -12.6774 -12.6774 -12.6004 -12.6004 1.4206 1.4206 1.4757 1.4757 3.1374 3.1374 3.1796 3.1796 3.3382 3.3382 4.9336 4.9336 7.1096 7.1096 11.4806 11.4806 11.5346 11.5346 12.1340 12.1340 13.8052 13.8052 k = 0.1429 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7542 -31.7542 -13.0310 -13.0310 -12.6781 -12.6781 -12.6015 -12.6015 1.4205 1.4205 1.4751 1.4751 3.1355 3.1355 3.1853 3.1853 3.3337 3.3337 4.9466 4.9466 7.1590 7.1590 11.4672 11.4672 11.5137 11.5137 12.1632 12.1632 13.7886 13.7886 k = 0.1548 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7539 -31.7539 -13.0315 -13.0315 -12.6789 -12.6789 -12.6027 -12.6027 1.4203 1.4203 1.4745 1.4745 3.1333 3.1333 3.1908 3.1908 3.3298 3.3298 4.9611 4.9611 7.2120 7.2120 11.4089 11.4089 11.5324 11.5324 12.1960 12.1960 13.7711 13.7711 k = 0.1667 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7537 -31.7537 -13.0320 -13.0320 -12.6798 -12.6798 -12.6038 -12.6038 1.4200 1.4200 1.4739 1.4739 3.1309 3.1309 3.1956 3.1956 3.3270 3.3270 4.9772 4.9772 7.2685 7.2685 11.3416 11.3416 11.5548 11.5548 12.2320 12.2320 13.7530 13.7530 k = 0.1786 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7534 -31.7534 -13.0326 -13.0326 -12.6807 -12.6807 -12.6050 -12.6050 1.4195 1.4195 1.4731 1.4731 3.1285 3.1285 3.1994 3.1994 3.3256 3.3256 4.9949 4.9949 7.3283 7.3283 11.2685 11.2685 11.5779 11.5779 12.2711 12.2711 13.7342 13.7342 k = 0.1905 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7531 -31.7531 -13.0332 -13.0332 -12.6817 -12.6817 -12.6061 -12.6061 1.4188 1.4188 1.4722 1.4722 3.1259 3.1259 3.2017 3.2017 3.3261 3.3261 5.0143 5.0143 7.3912 7.3912 11.1904 11.1904 11.6009 11.6009 12.3128 12.3128 13.7150 13.7150 k = 0.2024 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7529 -31.7529 -13.0338 -13.0338 -12.6829 -12.6829 -12.6071 -12.6071 1.4180 1.4180 1.4713 1.4713 3.1232 3.1232 3.2023 3.2023 3.3286 3.3286 5.0355 5.0355 7.4571 7.4571 11.1076 11.1076 11.6234 11.6234 12.3570 12.3570 13.6955 13.6955 k = 0.2143 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7526 -31.7526 -13.0345 -13.0345 -12.6841 -12.6841 -12.6081 -12.6081 1.4171 1.4171 1.4702 1.4702 3.1205 3.1205 3.2010 3.2010 3.3334 3.3334 5.0585 5.0585 7.5257 7.5257 11.0208 11.0208 11.6449 11.6449 12.4033 12.4033 13.6757 13.6757 k = 0.2262 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7523 -31.7523 -13.0352 -13.0352 -12.6854 -12.6854 -12.6090 -12.6090 1.4160 1.4160 1.4690 1.4690 3.1177 3.1177 3.1980 3.1980 3.3401 3.3401 5.0833 5.0833 7.5969 7.5969 10.9303 10.9303 11.6649 11.6649 12.4515 12.4515 13.6559 13.6559 k = 0.2381 0.5000-0.0000 ( 1890 PWs) bands (ev): -31.7520 -31.7520 -13.0359 -13.0359 -12.6867 -12.6867 -12.6099 -12.6099 1.4148 1.4148 1.4676 1.4676 3.1149 3.1149 3.1937 3.1937 3.3484 3.3484 5.1100 5.1100 7.6704 7.6704 10.8366 10.8366 11.6829 11.6829 12.5014 12.5014 13.6361 13.6361 k = 0.2500 0.5000-0.0000 ( 1868 PWs) bands (ev): -31.7517 -31.7517 -13.0366 -13.0366 -12.6880 -12.6880 -12.6105 -12.6105 1.4136 1.4136 1.4661 1.4661 3.1122 3.1122 3.1882 3.1882 3.3581 3.3581 5.1386 5.1386 7.7460 7.7460 10.7405 10.7405 11.6986 11.6986 12.5527 12.5527 13.6167 13.6167 k = 0.2619 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7514 -31.7514 -13.0375 -13.0375 -12.6896 -12.6896 -12.6114 -12.6114 1.4122 1.4122 1.4645 1.4645 3.1093 3.1093 3.1820 3.1820 3.3686 3.3686 5.1691 5.1691 7.8234 7.8234 10.6421 10.6421 11.7112 11.7112 12.6049 12.6049 13.5971 13.5971 k = 0.2738 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7511 -31.7511 -13.0383 -13.0383 -12.6911 -12.6911 -12.6120 -12.6120 1.4107 1.4107 1.4628 1.4628 3.1066 3.1066 3.1752 3.1752 3.3798 3.3798 5.2014 5.2014 7.9024 7.9024 10.5424 10.5424 11.7204 11.7204 12.6582 12.6582 13.5781 13.5781 k = 0.2857 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7508 -31.7508 -13.0392 -13.0392 -12.6927 -12.6927 -12.6125 -12.6125 1.4093 1.4093 1.4609 1.4609 3.1038 3.1038 3.1682 3.1682 3.3914 3.3914 5.2354 5.2354 7.9826 7.9826 10.4417 10.4417 11.7257 11.7257 12.7120 12.7120 13.5595 13.5595 k = 0.2976 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7505 -31.7505 -13.0400 -13.0400 -12.6942 -12.6942 -12.6129 -12.6129 1.4078 1.4078 1.4590 1.4590 3.1011 3.1011 3.1609 3.1609 3.4031 3.4031 5.2711 5.2711 8.0636 8.0636 10.3410 10.3410 11.7267 11.7267 12.7661 12.7661 13.5414 13.5414 k = 0.3095 0.5000-0.0000 ( 1892 PWs) bands (ev): -31.7503 -31.7503 -13.0409 -13.0409 -12.6957 -12.6957 -12.6133 -12.6133 1.4062 1.4062 1.4570 1.4570 3.0985 3.0985 3.1537 3.1537 3.4147 3.4147 5.3082 5.3082 8.1450 8.1450 10.2407 10.2407 11.7231 11.7231 12.8201 12.8201 13.5240 13.5240 k = 0.3214 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7500 -31.7500 -13.0418 -13.0418 -12.6973 -12.6973 -12.6137 -12.6137 1.4047 1.4047 1.4549 1.4549 3.0960 3.0960 3.1465 3.1465 3.4261 3.4261 5.3467 5.3467 8.2264 8.2264 10.1417 10.1417 11.7146 11.7146 12.8736 12.8736 13.5072 13.5072 k = 0.3333 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7497 -31.7497 -13.0427 -13.0427 -12.6987 -12.6987 -12.6139 -12.6139 1.4032 1.4032 1.4528 1.4528 3.0935 3.0935 3.1396 3.1396 3.4372 3.4372 5.3862 5.3862 8.3072 8.3072 10.0449 10.0449 11.7011 11.7011 12.9265 12.9265 13.4913 13.4913 k = 0.3452 0.5000-0.0000 ( 1894 PWs) bands (ev): -31.7495 -31.7495 -13.0435 -13.0435 -12.7001 -12.7001 -12.6141 -12.6141 1.4018 1.4018 1.4507 1.4507 3.0912 3.0912 3.1328 3.1328 3.4478 3.4478 5.4264 5.4264 8.3866 8.3866 9.9511 9.9511 11.6828 11.6828 12.9783 12.9783 13.4762 13.4762 k = 0.3571 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7492 -31.7492 -13.0443 -13.0443 -12.7015 -12.7015 -12.6143 -12.6143 1.4003 1.4003 1.4486 1.4486 3.0889 3.0889 3.1264 3.1264 3.4579 3.4579 5.4670 5.4670 8.4639 8.4639 9.8614 9.8614 11.6597 11.6597 13.0286 13.0286 13.4620 13.4620 k = 0.3690 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7490 -31.7490 -13.0451 -13.0451 -12.7028 -12.7028 -12.6144 -12.6144 1.3990 1.3990 1.4466 1.4466 3.0868 3.0868 3.1204 3.1204 3.4674 3.4674 5.5076 5.5076 8.5381 8.5381 9.7769 9.7769 11.6324 11.6324 13.0768 13.0768 13.4488 13.4488 k = 0.3810 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7488 -31.7488 -13.0459 -13.0459 -12.7040 -12.7040 -12.6145 -12.6145 1.3977 1.3977 1.4447 1.4447 3.0848 3.0848 3.1147 3.1147 3.4762 3.4762 5.5477 5.5477 8.6079 8.6079 9.6989 9.6989 11.6014 11.6014 13.1228 13.1228 13.4367 13.4367 k = 0.3929 0.5000-0.0000 ( 1896 PWs) bands (ev): -31.7486 -31.7486 -13.0466 -13.0466 -12.7052 -12.7052 -12.6146 -12.6146 1.3965 1.3965 1.4428 1.4428 3.0830 3.0830 3.1096 3.1096 3.4843 3.4843 5.5868 5.5868 8.6720 8.6720 9.6289 9.6289 11.5675 11.5675 13.1660 13.1660 13.4257 13.4258 k = 0.4048 0.5000-0.0000 ( 1906 PWs) bands (ev): -31.7485 -31.7485 -13.0473 -13.0473 -12.7063 -12.7063 -12.6147 -12.6147 1.3954 1.3954 1.4411 1.4411 3.0813 3.0813 3.1048 3.1048 3.4916 3.4916 5.6243 5.6243 8.7285 8.7285 9.5686 9.5686 11.5317 11.5317 13.2059 13.2059 13.4160 13.4160 k = 0.4167 0.5000-0.0000 ( 1910 PWs) bands (ev): -31.7483 -31.7483 -13.0479 -13.0479 -12.7072 -12.7072 -12.6147 -12.6147 1.3944 1.3944 1.4395 1.4395 3.0798 3.0798 3.1006 3.1006 3.4981 3.4981 5.6595 5.6595 8.7757 8.7757 9.5196 9.5196 11.4951 11.4951 13.2420 13.2420 13.4076 13.4076 k = 0.4286 0.5000-0.0000 ( 1906 PWs) bands (ev): -31.7482 -31.7482 -13.0484 -13.0484 -12.7080 -12.7080 -12.6147 -12.6147 1.3935 1.3935 1.4381 1.4381 3.0784 3.0784 3.0970 3.0970 3.5038 3.5038 5.6919 5.6919 8.8122 8.8122 9.4831 9.4831 11.4591 11.4591 13.2739 13.2739 13.4008 13.4008 k = 0.4405 0.5000-0.0000 ( 1902 PWs) bands (ev): -31.7480 -31.7480 -13.0488 -13.0488 -12.7087 -12.7087 -12.6147 -12.6147 1.3927 1.3927 1.4368 1.4368 3.0772 3.0772 3.0939 3.0939 3.5086 3.5086 5.7207 5.7207 8.8373 8.8373 9.4593 9.4593 11.4251 11.4251 13.3008 13.3008 13.3958 13.3958 k = 0.4524 0.5000-0.0000 ( 1902 PWs) bands (ev): -31.7479 -31.7479 -13.0492 -13.0492 -12.7092 -12.7092 -12.6147 -12.6147 1.3921 1.3921 1.4358 1.4358 3.0762 3.0762 3.0913 3.0913 3.5125 3.5125 5.7454 5.7454 8.8521 8.8521 9.4468 9.4468 11.3945 11.3945 13.3221 13.3221 13.3929 13.3929 k = 0.4643 0.5000-0.0000 ( 1906 PWs) bands (ev): -31.7479 -31.7479 -13.0495 -13.0495 -12.7097 -12.7097 -12.6148 -12.6148 1.3916 1.3916 1.4350 1.4350 3.0754 3.0754 3.0893 3.0893 3.5156 3.5156 5.7652 5.7652 8.8590 8.8590 9.4425 9.4425 11.3687 11.3687 13.3369 13.3369 13.3925 13.3925 k = 0.4762 0.5000-0.0000 ( 1914 PWs) bands (ev): -31.7478 -31.7478 -13.0498 -13.0498 -12.7101 -12.7101 -12.6148 -12.6148 1.3913 1.3913 1.4344 1.4344 3.0748 3.0748 3.0879 3.0879 3.5178 3.5178 5.7798 5.7798 8.8610 8.8610 9.4429 9.4429 11.3493 11.3493 13.3455 13.3455 13.3943 13.3943 k = 0.4881 0.5000-0.0000 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0500 -13.0500 -12.7103 -12.7103 -12.6148 -12.6148 1.3910 1.3910 1.4340 1.4340 3.0745 3.0745 3.0871 3.0871 3.5192 3.5192 5.7888 5.7888 8.8609 8.8609 9.4447 9.4447 11.3371 11.3371 13.3495 13.3495 13.3967 13.3967 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0500 -13.0500 -12.7104 -12.7104 -12.6148 -12.6148 1.3910 1.3910 1.4339 1.4339 3.0743 3.0743 3.0868 3.0868 3.5196 3.5196 5.7918 5.7918 8.8606 8.8606 9.4455 9.4455 11.3329 11.3329 13.3506 13.3506 13.3977 13.3977 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0500 -13.0500 -12.7104 -12.7104 -12.6148 -12.6148 1.3910 1.3910 1.4339 1.4339 3.0743 3.0743 3.0868 3.0868 3.5196 3.5196 5.7918 5.7918 8.8606 8.8606 9.4455 9.4455 11.3329 11.3329 13.3506 13.3506 13.3977 13.3977 k = 0.4917 0.4917-0.0000 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0500 -13.0500 -12.7103 -12.7103 -12.6148 -12.6148 1.3910 1.3910 1.4340 1.4340 3.0745 3.0745 3.0871 3.0871 3.5192 3.5192 5.7888 5.7888 8.8609 8.8609 9.4446 9.4446 11.3370 11.3370 13.3495 13.3495 13.3967 13.3967 k = 0.4833 0.4833-0.0000 ( 1914 PWs) bands (ev): -31.7478 -31.7478 -13.0498 -13.0498 -12.7101 -12.7101 -12.6148 -12.6148 1.3913 1.3913 1.4344 1.4344 3.0748 3.0748 3.0879 3.0879 3.5179 3.5179 5.7800 5.7800 8.8618 8.8618 9.4422 9.4422 11.3490 11.3490 13.3460 13.3460 13.3941 13.3941 k = 0.4750 0.4750-0.0000 ( 1900 PWs) bands (ev): -31.7478 -31.7478 -13.0495 -13.0495 -12.7097 -12.7097 -12.6147 -12.6147 1.3916 1.3916 1.4349 1.4349 3.0754 3.0754 3.0893 3.0893 3.5157 3.5157 5.7652 5.7652 8.8632 8.8632 9.4386 9.4386 11.3684 11.3684 13.3387 13.3387 13.3913 13.3913 k = 0.4667 0.4667-0.0000 ( 1900 PWs) bands (ev): -31.7479 -31.7479 -13.0492 -13.0492 -12.7092 -12.7092 -12.6147 -12.6147 1.3921 1.3921 1.4357 1.4357 3.0762 3.0762 3.0912 3.0912 3.5127 3.5127 5.7447 5.7447 8.8651 8.8651 9.4347 9.4347 11.3944 11.3944 13.3262 13.3262 13.3896 13.3896 k = 0.4583 0.4583-0.0000 ( 1908 PWs) bands (ev): -31.7480 -31.7480 -13.0489 -13.0489 -12.7087 -12.7087 -12.6148 -12.6148 1.3927 1.3927 1.4367 1.4367 3.0772 3.0772 3.0936 3.0936 3.5089 3.5089 5.7183 5.7183 8.8676 8.8676 9.4311 9.4311 11.4259 11.4259 13.3083 13.3083 13.3897 13.3897 k = 0.4500 0.4500-0.0000 ( 1900 PWs) bands (ev): -31.7481 -31.7481 -13.0483 -13.0483 -12.7080 -12.7080 -12.6147 -12.6147 1.3934 1.3934 1.4380 1.4380 3.0785 3.0785 3.0965 3.0965 3.5044 3.5044 5.6862 5.6862 8.8706 8.8706 9.4289 9.4289 11.4619 11.4619 13.2858 13.2858 13.3914 13.3914 k = 0.4417 0.4417-0.0000 ( 1900 PWs) bands (ev): -31.7483 -31.7483 -13.0478 -13.0478 -12.7072 -12.7072 -12.6147 -12.6147 1.3943 1.3943 1.4393 1.4393 3.0799 3.0799 3.0999 3.0999 3.4990 3.4990 5.6485 5.6485 8.8744 8.8744 9.4287 9.4287 11.5011 11.5011 13.2590 13.2590 13.3945 13.3945 k = 0.4333 0.4333-0.0000 ( 1904 PWs) bands (ev): -31.7484 -31.7484 -13.0472 -13.0472 -12.7062 -12.7062 -12.6147 -12.6147 1.3952 1.3952 1.4409 1.4409 3.0815 3.0815 3.1038 3.1038 3.4930 3.4930 5.6053 5.6053 8.8790 8.8790 9.4314 9.4314 11.5422 11.5422 13.2289 13.2289 13.3987 13.3987 k = 0.4250 0.4250-0.0000 ( 1896 PWs) bands (ev): -31.7486 -31.7486 -13.0464 -13.0464 -12.7051 -12.7051 -12.6147 -12.6147 1.3963 1.3963 1.4426 1.4426 3.0833 3.0833 3.1082 3.1082 3.4863 3.4863 5.5568 5.5568 8.8847 8.8847 9.4374 9.4374 11.5842 11.5842 13.1959 13.1959 13.4039 13.4039 k = 0.4167 0.4167-0.0000 ( 1889 PWs) bands (ev): -31.7488 -31.7488 -13.0456 -13.0456 -12.7039 -12.7039 -12.6147 -12.6147 1.3974 1.3974 1.4444 1.4444 3.0852 3.0852 3.1129 3.1129 3.4790 3.4790 5.5032 5.5032 8.8919 8.8919 9.4472 9.4472 11.6262 11.6262 13.1609 13.1609 13.4098 13.4098 k = 0.4083 0.4083-0.0000 ( 1881 PWs) bands (ev): -31.7490 -31.7490 -13.0446 -13.0446 -12.7025 -12.7025 -12.6146 -12.6146 1.3986 1.3986 1.4462 1.4462 3.0872 3.0872 3.1181 3.1181 3.4712 3.4712 5.4448 5.4448 8.9009 8.9009 9.4609 9.4609 11.6670 11.6670 13.1240 13.1240 13.4165 13.4165 k = 0.4000 0.4000-0.0000 ( 1881 PWs) bands (ev): -31.7492 -31.7492 -13.0437 -13.0437 -12.7011 -12.7011 -12.6146 -12.6146 1.3999 1.3999 1.4482 1.4482 3.0893 3.0893 3.1236 3.1236 3.4629 3.4629 5.3818 5.3818 8.9122 8.9122 9.4786 9.4786 11.7062 11.7062 13.0858 13.0858 13.4240 13.4240 k = 0.3917 0.3917-0.0000 ( 1889 PWs) bands (ev): -31.7495 -31.7495 -13.0427 -13.0427 -12.6996 -12.6996 -12.6146 -12.6146 1.4012 1.4012 1.4502 1.4502 3.0914 3.0914 3.1294 3.1294 3.4542 3.4542 5.3145 5.3145 8.9262 8.9262 9.5001 9.5001 11.7429 11.7429 13.0468 13.0468 13.4320 13.4320 k = 0.3833 0.3833-0.0000 ( 1889 PWs) bands (ev): -31.7498 -31.7498 -13.0416 -13.0416 -12.6980 -12.6980 -12.6146 -12.6146 1.4025 1.4025 1.4521 1.4521 3.0937 3.0937 3.1354 3.1354 3.4451 3.4451 5.2433 5.2433 8.9432 8.9432 9.5253 9.5253 11.7769 11.7769 13.0076 13.0076 13.4408 13.4408 k = 0.3750 0.3750-0.0000 ( 1897 PWs) bands (ev): -31.7501 -31.7501 -13.0405 -13.0405 -12.6963 -12.6963 -12.6146 -12.6146 1.4039 1.4039 1.4541 1.4541 3.0959 3.0959 3.1418 3.1418 3.4357 3.4357 5.1686 5.1686 8.9637 8.9637 9.5540 9.5540 11.8078 11.8078 12.9683 12.9683 13.4502 13.4502 k = 0.3667 0.3667-0.0000 ( 1895 PWs) bands (ev): -31.7504 -31.7504 -13.0392 -13.0392 -12.6944 -12.6944 -12.6145 -12.6145 1.4052 1.4052 1.4560 1.4560 3.0981 3.0981 3.1482 3.1482 3.4262 3.4262 5.0908 5.0908 8.9878 8.9878 9.5859 9.5859 11.8354 11.8354 12.9297 12.9297 13.4602 13.4602 k = 0.3583 0.3583-0.0000 ( 1893 PWs) bands (ev): -31.7507 -31.7507 -13.0379 -13.0379 -12.6925 -12.6925 -12.6144 -12.6144 1.4066 1.4066 1.4578 1.4578 3.1003 3.1003 3.1548 3.1548 3.4165 3.4165 5.0102 5.0102 9.0158 9.0158 9.6210 9.6210 11.8598 11.8598 12.8918 12.8918 13.4709 13.4709 k = 0.3500 0.3500-0.0000 ( 1893 PWs) bands (ev): -31.7510 -31.7510 -13.0365 -13.0365 -12.6904 -12.6904 -12.6144 -12.6144 1.4079 1.4079 1.4595 1.4595 3.1024 3.1024 3.1615 3.1615 3.4068 3.4068 4.9273 4.9273 9.0479 9.0479 9.6588 9.6588 11.8809 11.8809 12.8550 12.8550 13.4822 13.4822 k = 0.3417 0.3417-0.0000 ( 1881 PWs) bands (ev): -31.7514 -31.7514 -13.0351 -13.0351 -12.6882 -12.6882 -12.6142 -12.6142 1.4092 1.4092 1.4611 1.4611 3.1044 3.1044 3.1681 3.1681 3.3972 3.3972 4.8423 4.8423 9.0842 9.0842 9.6992 9.6992 11.8988 11.8988 12.8199 12.8199 13.4940 13.4940 k = 0.3333 0.3333-0.0000 ( 1875 PWs) bands (ev): -31.7517 -31.7517 -13.0335 -13.0335 -12.6859 -12.6859 -12.6141 -12.6141 1.4104 1.4104 1.4625 1.4625 3.1063 3.1063 3.1746 3.1746 3.3878 3.3878 4.7558 4.7558 9.1247 9.1247 9.7421 9.7421 11.9138 11.9138 12.7863 12.7863 13.5065 13.5065 k = 0.3250 0.3250-0.0000 ( 1881 PWs) bands (ev): -31.7521 -31.7521 -13.0320 -13.0320 -12.6836 -12.6836 -12.6140 -12.6140 1.4115 1.4115 1.4637 1.4637 3.1081 3.1081 3.1809 3.1809 3.3786 3.3786 4.6681 4.6681 9.1694 9.1694 9.7871 9.7871 11.9259 11.9259 12.7546 12.7546 13.5194 13.5194 k = 0.3167 0.3167-0.0000 ( 1885 PWs) bands (ev): -31.7525 -31.7525 -13.0305 -13.0305 -12.6813 -12.6813 -12.6138 -12.6138 1.4126 1.4126 1.4647 1.4647 3.1096 3.1096 3.1868 3.1868 3.3699 3.3699 4.5795 4.5795 9.2183 9.2183 9.8340 9.8340 11.9355 11.9355 12.7252 12.7252 13.5329 13.5329 k = 0.3083 0.3083-0.0000 ( 1887 PWs) bands (ev): -31.7529 -31.7529 -13.0289 -13.0289 -12.6788 -12.6788 -12.6137 -12.6137 1.4136 1.4136 1.4654 1.4655 3.1109 3.1109 3.1923 3.1923 3.3617 3.3617 4.4904 4.4904 9.2714 9.2714 9.8828 9.8828 11.9429 11.9429 12.6983 12.6983 13.5468 13.5468 k = 0.3000 0.3000-0.0000 ( 1887 PWs) bands (ev): -31.7533 -31.7533 -13.0272 -13.0272 -12.6763 -12.6763 -12.6135 -12.6135 1.4144 1.4144 1.4660 1.4660 3.1120 3.1120 3.1972 3.1972 3.3542 3.3542 4.4012 4.4012 9.3285 9.3285 9.9333 9.9333 11.9485 11.9485 12.6739 12.6739 13.5613 13.5613 k = 0.2917 0.2917-0.0000 ( 1887 PWs) bands (ev): -31.7537 -31.7537 -13.0255 -13.0255 -12.6736 -12.6736 -12.6133 -12.6133 1.4152 1.4152 1.4662 1.4662 3.1127 3.1127 3.2013 3.2013 3.3476 3.3476 4.3122 4.3122 9.3896 9.3896 9.9853 9.9853 11.9524 11.9524 12.6523 12.6523 13.5762 13.5762 k = 0.2833 0.2833-0.0000 ( 1885 PWs) bands (ev): -31.7541 -31.7541 -13.0238 -13.0238 -12.6710 -12.6710 -12.6130 -12.6130 1.4158 1.4158 1.4663 1.4663 3.1131 3.1131 3.2044 3.2044 3.3420 3.3420 4.2237 4.2237 9.4546 9.4546 10.0387 10.0387 11.9551 11.9551 12.6336 12.6336 13.5915 13.5915 k = 0.2750 0.2750-0.0000 ( 1885 PWs) bands (ev): -31.7545 -31.7545 -13.0220 -13.0220 -12.6683 -12.6683 -12.6128 -12.6128 1.4164 1.4164 1.4660 1.4660 3.1131 3.1131 3.2064 3.2064 3.3376 3.3376 4.1360 4.1360 9.5231 9.5231 10.0934 10.0934 11.9568 11.9568 12.6181 12.6181 13.6072 13.6072 k = 0.2667 0.2667-0.0000 ( 1885 PWs) bands (ev): -31.7549 -31.7549 -13.0203 -13.0203 -12.6655 -12.6655 -12.6125 -12.6125 1.4167 1.4167 1.4654 1.4654 3.1126 3.1126 3.2072 3.2072 3.3344 3.3344 4.0495 4.0495 9.5952 9.5952 10.1492 10.1492 11.9579 11.9579 12.6057 12.6057 13.6233 13.6233 k = 0.2583 0.2583-0.0000 ( 1893 PWs) bands (ev): -31.7554 -31.7554 -13.0185 -13.0185 -12.6628 -12.6628 -12.6122 -12.6122 1.4170 1.4170 1.4646 1.4646 3.1115 3.1115 3.2067 3.2067 3.3324 3.3324 3.9645 3.9645 9.6705 9.6705 10.2060 10.2060 11.9586 11.9586 12.5965 12.5965 13.6397 13.6397 k = 0.2500 0.2500-0.0000 ( 1893 PWs) bands (ev): -31.7558 -31.7558 -13.0167 -13.0167 -12.6599 -12.6599 -12.6119 -12.6119 1.4171 1.4171 1.4634 1.4634 3.1097 3.1097 3.2050 3.2050 3.3316 3.3316 3.8815 3.8815 9.7488 9.7488 10.2638 10.2638 11.9594 11.9594 12.5907 12.5907 13.6564 13.6564 k = 0.2417 0.2417-0.0000 ( 1893 PWs) bands (ev): -31.7562 -31.7562 -13.0149 -13.0149 -12.6571 -12.6571 -12.6116 -12.6116 1.4170 1.4170 1.4620 1.4620 3.1071 3.1071 3.2023 3.2023 3.3316 3.3316 3.8008 3.8008 9.8298 9.8298 10.3224 10.3224 11.9606 11.9606 12.5884 12.5884 13.6733 13.6733 k = 0.2333 0.2333-0.0000 ( 1891 PWs) bands (ev): -31.7567 -31.7567 -13.0131 -13.0131 -12.6542 -12.6542 -12.6112 -12.6112 1.4169 1.4169 1.4603 1.4603 3.1034 3.1034 3.1987 3.1987 3.3321 3.3321 3.7232 3.7232 9.9131 9.9131 10.3818 10.3818 11.9624 11.9624 12.5896 12.5896 13.6905 13.6905 k = 0.2250 0.2250-0.0000 ( 1887 PWs) bands (ev): -31.7571 -31.7571 -13.0113 -13.0113 -12.6514 -12.6514 -12.6108 -12.6108 1.4166 1.4166 1.4584 1.4584 3.0982 3.0982 3.1945 3.1945 3.3324 3.3324 3.6493 3.6493 9.9984 9.9984 10.4420 10.4420 11.9653 11.9653 12.5944 12.5944 13.7079 13.7079 k = 0.2167 0.2167-0.0000 ( 1891 PWs) bands (ev): -31.7575 -31.7575 -13.0095 -13.0095 -12.6485 -12.6485 -12.6104 -12.6104 1.4161 1.4161 1.4562 1.4562 3.0911 3.0911 3.1898 3.1898 3.3319 3.3319 3.5806 3.5806 10.0851 10.0851 10.5028 10.5028 11.9697 11.9697 12.6027 12.6027 13.7253 13.7253 k = 0.2083 0.2083-0.0000 ( 1893 PWs) bands (ev): -31.7579 -31.7579 -13.0078 -13.0078 -12.6457 -12.6457 -12.6100 -12.6100 1.4155 1.4155 1.4538 1.4538 3.0814 3.0814 3.1850 3.1850 3.3289 3.3289 3.5191 3.5191 10.1727 10.1727 10.5642 10.5642 11.9759 11.9759 12.6148 12.6148 13.7427 13.7427 k = 0.2000 0.2000-0.0000 ( 1893 PWs) bands (ev): -31.7584 -31.7584 -13.0060 -13.0060 -12.6428 -12.6428 -12.6096 -12.6096 1.4148 1.4148 1.4512 1.4512 3.0680 3.0680 3.1801 3.1801 3.3210 3.3210 3.4683 3.4683 10.2606 10.2606 10.6262 10.6262 11.9845 11.9845 12.6306 12.6306 13.7602 13.7602 k = 0.1917 0.1917-0.0000 ( 1893 PWs) bands (ev): -31.7588 -31.7588 -13.0043 -13.0043 -12.6400 -12.6400 -12.6092 -12.6092 1.4140 1.4140 1.4484 1.4484 3.0497 3.0497 3.1753 3.1753 3.3048 3.3048 3.4328 3.4328 10.3481 10.3481 10.6887 10.6887 11.9960 11.9960 12.6502 12.6502 13.7777 13.7777 k = 0.1833 0.1833-0.0000 ( 1889 PWs) bands (ev): -31.7592 -31.7592 -13.0026 -13.0026 -12.6372 -12.6372 -12.6087 -12.6087 1.4131 1.4131 1.4455 1.4455 3.0253 3.0253 3.1707 3.1707 3.2808 3.2808 3.4135 3.4135 10.4343 10.4343 10.7516 10.7516 12.0111 12.0111 12.6736 12.6736 13.7951 13.7951 k = 0.1750 0.1750-0.0000 ( 1885 PWs) bands (ev): -31.7595 -31.7595 -13.0009 -13.0009 -12.6345 -12.6345 -12.6082 -12.6082 1.4121 1.4121 1.4424 1.4424 2.9940 2.9940 3.1663 3.1663 3.2547 3.2547 3.4052 3.4052 10.5186 10.5186 10.8146 10.8146 12.0303 12.0303 12.7009 12.7009 13.8123 13.8123 k = 0.1667 0.1667-0.0000 ( 1893 PWs) bands (ev): -31.7599 -31.7599 -12.9993 -12.9993 -12.6319 -12.6319 -12.6078 -12.6078 1.4110 1.4110 1.4391 1.4391 2.9564 2.9564 3.1623 3.1623 3.2315 3.2315 3.4026 3.4026 10.6000 10.6000 10.8774 10.8774 12.0545 12.0545 12.7320 12.7320 13.8292 13.8292 k = 0.1583 0.1583-0.0000 ( 1885 PWs) bands (ev): -31.7603 -31.7603 -12.9977 -12.9977 -12.6292 -12.6292 -12.6073 -12.6073 1.4098 1.4098 1.4358 1.4358 2.9140 2.9140 3.1586 3.1586 3.2127 3.2127 3.4029 3.4029 10.6780 10.6780 10.9394 10.9394 12.0844 12.0844 12.7671 12.7671 13.8459 13.8459 k = 0.1500 0.1500-0.0000 ( 1885 PWs) bands (ev): -31.7607 -31.7607 -12.9962 -12.9962 -12.6267 -12.6267 -12.6068 -12.6068 1.4085 1.4085 1.4324 1.4324 2.8687 2.8687 3.1552 3.1552 3.1978 3.1978 3.4045 3.4045 10.7522 10.7522 10.9997 10.9997 12.1207 12.1207 12.8063 12.8063 13.8623 13.8623 k = 0.1417 0.1417-0.0000 ( 1881 PWs) bands (ev): -31.7610 -31.7610 -12.9947 -12.9947 -12.6242 -12.6242 -12.6063 -12.6063 1.4072 1.4072 1.4290 1.4290 2.8222 2.8222 3.1521 3.1521 3.1860 3.1860 3.4068 3.4068 10.8222 10.8222 11.0575 11.0575 12.1642 12.1642 12.8496 12.8496 13.8782 13.8782 k = 0.1333 0.1333-0.0000 ( 1885 PWs) bands (ev): -31.7613 -31.7613 -12.9933 -12.9933 -12.6218 -12.6218 -12.6059 -12.6059 1.4059 1.4059 1.4256 1.4256 2.7758 2.7758 3.1491 3.1491 3.1765 3.1765 3.4095 3.4095 10.8881 10.8881 11.1115 11.1115 12.2150 12.2150 12.8971 12.8971 13.8937 13.8937 k = 0.1250 0.1250-0.0000 ( 1889 PWs) bands (ev): -31.7617 -31.7617 -12.9920 -12.9920 -12.6196 -12.6196 -12.6055 -12.6055 1.4046 1.4046 1.4222 1.4222 2.7304 2.7304 3.1464 3.1464 3.1686 3.1686 3.4123 3.4123 10.9499 10.9499 11.1610 11.1610 12.2732 12.2732 12.9491 12.9491 13.9086 13.9086 k = 0.1167 0.1167-0.0000 ( 1885 PWs) bands (ev): -31.7620 -31.7620 -12.9907 -12.9907 -12.6174 -12.6174 -12.6050 -12.6050 1.4032 1.4032 1.4189 1.4189 2.6866 2.6866 3.1440 3.1440 3.1619 3.1619 3.4152 3.4152 11.0078 11.0078 11.2054 11.2054 12.3383 12.3383 13.0058 13.0058 13.9230 13.9230 k = 0.1083 0.1083-0.0000 ( 1883 PWs) bands (ev): -31.7622 -31.7622 -12.9895 -12.9895 -12.6153 -12.6153 -12.6046 -12.6046 1.4019 1.4019 1.4156 1.4156 2.6449 2.6449 3.1416 3.1416 3.1562 3.1562 3.4180 3.4180 11.0619 11.0619 11.2443 11.2443 12.4093 12.4093 13.0674 13.0674 13.9367 13.9367 k = 0.1000 0.1000-0.0000 ( 1881 PWs) bands (ev): -31.7625 -31.7625 -12.9883 -12.9883 -12.6133 -12.6133 -12.6042 -12.6042 1.4006 1.4006 1.4125 1.4125 2.6056 2.6056 3.1395 3.1395 3.1513 3.1513 3.4207 3.4207 11.1124 11.1124 11.2780 11.2780 12.4848 12.4848 13.1340 13.1340 13.9497 13.9497 k = 0.0917 0.0917-0.0000 ( 1891 PWs) bands (ev): -31.7628 -31.7628 -12.9873 -12.9873 -12.6116 -12.6116 -12.6038 -12.6038 1.3993 1.3993 1.4094 1.4094 2.5690 2.5690 3.1375 3.1375 3.1470 3.1470 3.4233 3.4233 11.1593 11.1593 11.3065 11.3065 12.5631 12.5631 13.2058 13.2058 13.9619 13.9619 k = 0.0833 0.0833-0.0000 ( 1891 PWs) bands (ev): -31.7630 -31.7630 -12.9863 -12.9863 -12.6099 -12.6099 -12.6035 -12.6035 1.3980 1.3980 1.4066 1.4066 2.5351 2.5351 3.1357 3.1357 3.1432 3.1432 3.4256 3.4256 11.2026 11.2026 11.3306 11.3306 12.6423 12.6423 13.2829 13.2829 13.9733 13.9733 k = 0.0750 0.0750-0.0000 ( 1891 PWs) bands (ev): -31.7632 -31.7632 -12.9855 -12.9855 -12.6084 -12.6084 -12.6031 -12.6031 1.3969 1.3969 1.4039 1.4039 2.5042 2.5042 3.1340 3.1340 3.1399 3.1399 3.4278 3.4278 11.2424 11.2424 11.3507 11.3507 12.7207 12.7207 13.3650 13.3650 13.9838 13.9838 k = 0.0667 0.0667-0.0000 ( 1891 PWs) bands (ev): -31.7634 -31.7634 -12.9847 -12.9847 -12.6070 -12.6070 -12.6028 -12.6028 1.3958 1.3958 1.4014 1.4014 2.4764 2.4764 3.1325 3.1325 3.1370 3.1370 3.4298 3.4298 11.2784 11.2784 11.3673 11.3673 12.7965 12.7965 13.4517 13.4517 13.9933 13.9934 k = 0.0583 0.0583-0.0000 ( 1891 PWs) bands (ev): -31.7636 -31.7636 -12.9839 -12.9839 -12.6057 -12.6057 -12.6026 -12.6026 1.3948 1.3948 1.3992 1.3992 2.4517 2.4517 3.1312 3.1312 3.1346 3.1346 3.4316 3.4316 11.3106 11.3106 11.3809 11.3809 12.8680 12.8680 13.5419 13.5419 14.0019 14.0019 k = 0.0500 0.0500-0.0000 ( 1887 PWs) bands (ev): -31.7637 -31.7637 -12.9833 -12.9833 -12.6047 -12.6047 -12.6023 -12.6023 1.3940 1.3940 1.3972 1.3972 2.4301 2.4301 3.1300 3.1300 3.1324 3.1324 3.4331 3.4331 11.3388 11.3388 11.3920 11.3920 12.9340 12.9340 13.6343 13.6343 14.0097 14.0098 k = 0.0417 0.0417-0.0000 ( 1887 PWs) bands (ev): -31.7638 -31.7638 -12.9828 -12.9828 -12.6037 -12.6037 -12.6021 -12.6021 1.3932 1.3932 1.3955 1.3955 2.4119 2.4119 3.1290 3.1290 3.1307 3.1307 3.4344 3.4344 11.3631 11.3631 11.4008 11.4008 12.9931 12.9931 13.7266 13.7266 14.0164 14.0165 k = 0.0333 0.0333-0.0000 ( 1889 PWs) bands (ev): -31.7639 -31.7639 -12.9824 -12.9824 -12.6030 -12.6030 -12.6019 -12.6019 1.3926 1.3926 1.3940 1.3940 2.3968 2.3968 3.1282 3.1282 3.1292 3.1292 3.4355 3.4355 11.3831 11.3831 11.4077 11.4077 13.0440 13.0440 13.8163 13.8163 14.0219 14.0223 k = 0.0250 0.0250-0.0000 ( 1881 PWs) bands (ev): -31.7640 -31.7640 -12.9820 -12.9820 -12.6023 -12.6023 -12.6017 -12.6017 1.3921 1.3921 1.3929 1.3929 2.3851 2.3851 3.1276 3.1276 3.1282 3.1282 3.4363 3.4363 11.3988 11.3988 11.4128 11.4128 13.0855 13.0855 13.8992 13.8992 14.0191 14.0192 k = 0.0167 0.0167-0.0000 ( 1877 PWs) bands (ev): -31.7641 -31.7641 -12.9817 -12.9817 -12.6019 -12.6019 -12.6016 -12.6016 1.3917 1.3917 1.3921 1.3921 2.3768 2.3768 3.1271 3.1271 3.1274 3.1274 3.4369 3.4369 11.4101 11.4101 11.4164 11.4164 13.1163 13.1163 13.9681 13.9681 14.0173 14.0174 k = 0.0083 0.0083-0.0000 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9815 -12.9815 -12.6015 -12.6015 -12.6015 -12.6015 1.3915 1.3915 1.3916 1.3916 2.3717 2.3717 3.1269 3.1269 3.1269 3.1269 3.4373 3.4373 11.4169 11.4169 11.4185 11.4185 13.1353 13.1353 14.0080 14.0080 14.0166 14.0166 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9814 -12.9814 -12.6014 -12.6014 -12.6014 -12.6014 1.3915 1.3915 1.3915 1.3915 2.3701 2.3701 3.1268 3.1268 3.1268 3.1268 3.4374 3.4374 11.4192 11.4192 11.4192 11.4192 13.1417 13.1417 14.0164 14.0164 14.0164 14.0164 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9814 -12.9814 -12.6014 -12.6014 -12.6014 -12.6014 1.3915 1.3915 1.3915 1.3915 2.3701 2.3701 3.1268 3.1268 3.1268 3.1268 3.4374 3.4374 11.4192 11.4192 11.4192 11.4192 13.1417 13.1417 14.0164 14.0164 14.0164 14.0164 k = 0.0068 0.0068 0.0068 ( 1863 PWs) bands (ev): -31.7641 -31.7641 -12.9815 -12.9815 -12.6015 -12.6015 -12.6015 -12.6015 1.3916 1.3916 1.3916 1.3916 2.3718 2.3718 3.1269 3.1269 3.1269 3.1269 3.4373 3.4373 11.4173 11.4173 11.4181 11.4181 13.1352 13.1352 14.0098 14.0098 14.0144 14.0144 k = 0.0137 0.0137 0.0137 ( 1878 PWs) bands (ev): -31.7641 -31.7641 -12.9817 -12.9817 -12.6018 -12.6018 -12.6017 -12.6017 1.3918 1.3918 1.3920 1.3920 2.3769 2.3769 3.1272 3.1272 3.1273 3.1273 3.4369 3.4369 11.4115 11.4115 11.4149 11.4149 13.1157 13.1157 13.9817 13.9817 13.9909 13.9909 k = 0.0205 0.0205 0.0205 ( 1881 PWs) bands (ev): -31.7640 -31.7640 -12.9820 -12.9820 -12.6021 -12.6021 -12.6019 -12.6019 1.3923 1.3923 1.3927 1.3927 2.3853 2.3853 3.1278 3.1278 3.1279 3.1279 3.4363 3.4363 11.4019 11.4019 11.4096 11.4096 13.0838 13.0838 13.9190 13.9190 13.9623 13.9623 k = 0.0274 0.0274 0.0274 ( 1887 PWs) bands (ev): -31.7639 -31.7639 -12.9824 -12.9824 -12.6026 -12.6026 -12.6023 -12.6023 1.3929 1.3929 1.3937 1.3937 2.3972 2.3972 3.1286 3.1286 3.1289 3.1289 3.4354 3.4354 11.3886 11.3886 11.4023 11.4023 13.0397 13.0397 13.8458 13.8458 13.9266 13.9266 k = 0.0342 0.0342 0.0342 ( 1887 PWs) bands (ev): -31.7638 -31.7638 -12.9828 -12.9828 -12.6031 -12.6031 -12.6027 -12.6027 1.3938 1.3938 1.3950 1.3950 2.4124 2.4124 3.1297 3.1297 3.1300 3.1300 3.4344 3.4344 11.3719 11.3719 11.3930 11.3930 12.9843 12.9843 13.7694 13.7694 13.8861 13.8861 k = 0.0411 0.0411 0.0411 ( 1893 PWs) bands (ev): -31.7637 -31.7637 -12.9834 -12.9834 -12.6038 -12.6038 -12.6033 -12.6033 1.3948 1.3948 1.3965 1.3965 2.4309 2.4309 3.1310 3.1310 3.1315 3.1315 3.4330 3.4330 11.3519 11.3519 11.3819 11.3819 12.9181 12.9181 13.6939 13.6939 13.8421 13.8421 k = 0.0479 0.0479 0.0479 ( 1893 PWs) bands (ev): -31.7636 -31.7636 -12.9840 -12.9840 -12.6045 -12.6045 -12.6039 -12.6039 1.3959 1.3959 1.3983 1.3983 2.4527 2.4527 3.1326 3.1326 3.1332 3.1332 3.4314 3.4314 11.3287 11.3287 11.3689 11.3689 12.8424 12.8424 13.6214 13.6214 13.7959 13.7959 k = 0.0548 0.0548 0.0548 ( 1893 PWs) bands (ev): -31.7634 -31.7634 -12.9847 -12.9847 -12.6054 -12.6054 -12.6046 -12.6046 1.3973 1.3973 1.4002 1.4002 2.4777 2.4777 3.1344 3.1344 3.1351 3.1351 3.4296 3.4296 11.3025 11.3025 11.3543 11.3543 12.7584 12.7584 13.5532 13.5532 13.7481 13.7481 k = 0.0616 0.0616 0.0616 ( 1893 PWs) bands (ev): -31.7632 -31.7632 -12.9855 -12.9855 -12.6064 -12.6064 -12.6053 -12.6053 1.3988 1.3988 1.4024 1.4024 2.5059 2.5059 3.1365 3.1365 3.1373 3.1373 3.4275 3.4275 11.2737 11.2737 11.3381 11.3381 12.6677 12.6677 13.4894 13.4894 13.6992 13.6992 k = 0.0685 0.0685 0.0685 ( 1893 PWs) bands (ev): -31.7630 -31.7630 -12.9864 -12.9864 -12.6075 -12.6075 -12.6062 -12.6062 1.4004 1.4004 1.4047 1.4047 2.5372 2.5372 3.1388 3.1388 3.1398 3.1398 3.4252 3.4252 11.2424 11.2424 11.3205 11.3205 12.5720 12.5720 13.4299 13.4299 13.6494 13.6494 k = 0.0753 0.0753 0.0753 ( 1890 PWs) bands (ev): -31.7627 -31.7627 -12.9873 -12.9873 -12.6086 -12.6086 -12.6071 -12.6071 1.4022 1.4022 1.4072 1.4072 2.5716 2.5716 3.1414 3.1414 3.1425 3.1425 3.4227 3.4227 11.2089 11.2089 11.3016 11.3016 12.4731 12.4731 13.3741 13.3741 13.5992 13.5992 k = 0.0822 0.0822 0.0822 ( 1887 PWs) bands (ev): -31.7625 -31.7625 -12.9884 -12.9884 -12.6098 -12.6098 -12.6081 -12.6081 1.4041 1.4041 1.4098 1.4098 2.6088 2.6088 3.1444 3.1444 3.1454 3.1454 3.4200 3.4200 11.1734 11.1734 11.2815 11.2815 12.3725 12.3725 13.3216 13.3216 13.5486 13.5486 k = 0.0890 0.0890 0.0890 ( 1893 PWs) bands (ev): -31.7622 -31.7622 -12.9895 -12.9895 -12.6113 -12.6113 -12.6092 -12.6092 1.4061 1.4061 1.4125 1.4125 2.6488 2.6488 3.1476 3.1476 3.1486 3.1486 3.4171 3.4171 11.1360 11.1360 11.2603 11.2604 12.2714 12.2714 13.2718 13.2718 13.4978 13.4978 k = 0.0959 0.0959 0.0959 ( 1893 PWs) bands (ev): -31.7619 -31.7619 -12.9907 -12.9907 -12.6127 -12.6127 -12.6104 -12.6104 1.4082 1.4082 1.4152 1.4152 2.6914 2.6914 3.1513 3.1513 3.1520 3.1520 3.4141 3.4141 11.0969 11.0969 11.2382 11.2382 12.1713 12.1713 13.2243 13.2243 13.4470 13.4470 k = 0.1027 0.1027 0.1027 ( 1893 PWs) bands (ev): -31.7616 -31.7616 -12.9920 -12.9920 -12.6142 -12.6142 -12.6116 -12.6116 1.4104 1.4104 1.4180 1.4180 2.7364 2.7364 3.1555 3.1555 3.1556 3.1556 3.4109 3.4109 11.0564 11.0564 11.2153 11.2153 12.0729 12.0729 13.1787 13.1787 13.3963 13.3963 k = 0.1096 0.1096 0.1096 ( 1893 PWs) bands (ev): -31.7613 -31.7613 -12.9934 -12.9934 -12.6158 -12.6158 -12.6130 -12.6130 1.4127 1.4127 1.4208 1.4208 2.7836 2.7836 3.1595 3.1595 3.1603 3.1603 3.4078 3.4078 11.0145 11.0145 11.1915 11.1915 11.9771 11.9771 13.1349 13.1349 13.3459 13.3459 k = 0.1164 0.1164 0.1164 ( 1887 PWs) bands (ev): -31.7609 -31.7609 -12.9947 -12.9947 -12.6174 -12.6174 -12.6144 -12.6144 1.4151 1.4151 1.4237 1.4237 2.8325 2.8325 3.1636 3.1636 3.1659 3.1659 3.4048 3.4048 10.9714 10.9714 11.1670 11.1670 11.8845 11.8845 13.0927 13.0927 13.2959 13.2959 k = 0.1233 0.1233 0.1233 ( 1887 PWs) bands (ev): -31.7605 -31.7605 -12.9962 -12.9962 -12.6191 -12.6191 -12.6158 -12.6158 1.4175 1.4175 1.4264 1.4264 2.8824 2.8824 3.1679 3.1679 3.1726 3.1726 3.4021 3.4021 10.9272 10.9272 11.1418 11.1418 11.7957 11.7957 13.0520 13.0520 13.2465 13.2465 k = 0.1301 0.1301 0.1301 ( 1881 PWs) bands (ev): -31.7601 -31.7601 -12.9977 -12.9977 -12.6208 -12.6208 -12.6173 -12.6173 1.4200 1.4200 1.4292 1.4292 2.9326 2.9326 3.1724 3.1724 3.1809 3.1809 3.4000 3.4000 10.8821 10.8821 11.1160 11.1160 11.7109 11.7109 13.0128 13.0128 13.1979 13.1979 k = 0.1370 0.1370 0.1370 ( 1893 PWs) bands (ev): -31.7598 -31.7598 -12.9993 -12.9993 -12.6227 -12.6227 -12.6189 -12.6189 1.4225 1.4225 1.4318 1.4318 2.9816 2.9816 3.1772 3.1772 3.1916 3.1916 3.3993 3.3993 10.8362 10.8362 11.0895 11.0895 11.6305 11.6305 12.9751 12.9751 13.1501 13.1501 k = 0.1438 0.1438 0.1438 ( 1893 PWs) bands (ev): -31.7594 -31.7594 -13.0009 -13.0009 -12.6245 -12.6245 -12.6206 -12.6206 1.4250 1.4250 1.4344 1.4344 3.0271 3.0271 3.1821 3.1821 3.2056 3.2056 3.4009 3.4009 10.7897 10.7897 11.0625 11.0625 11.5547 11.5547 12.9391 12.9391 13.1036 13.1036 k = 0.1507 0.1507 0.1507 ( 1893 PWs) bands (ev): -31.7589 -31.7589 -13.0025 -13.0025 -12.6264 -12.6264 -12.6222 -12.6222 1.4276 1.4276 1.4368 1.4368 3.0664 3.0664 3.1872 3.1872 3.2237 3.2237 3.4069 3.4069 10.7427 10.7427 11.0347 11.0347 11.4837 11.4837 12.9048 12.9048 13.0584 13.0584 k = 0.1575 0.1575 0.1575 ( 1893 PWs) bands (ev): -31.7585 -31.7585 -13.0042 -13.0042 -12.6283 -12.6283 -12.6240 -12.6240 1.4301 1.4301 1.4391 1.4391 3.0971 3.0971 3.1926 3.1926 3.2445 3.2445 3.4208 3.4208 10.6953 10.6953 11.0063 11.0063 11.4174 11.4174 12.8724 12.8724 13.0148 13.0148 k = 0.1644 0.1644 0.1644 ( 1905 PWs) bands (ev): -31.7581 -31.7581 -13.0060 -13.0060 -12.6303 -12.6303 -12.6259 -12.6259 1.4327 1.4327 1.4413 1.4413 3.1196 3.1196 3.1981 3.1981 3.2634 3.2634 3.4469 3.4469 10.6477 10.6477 10.9770 10.9770 11.3560 11.3560 12.8419 12.8419 12.9728 12.9728 k = 0.1712 0.1712 0.1712 ( 1893 PWs) bands (ev): -31.7576 -31.7576 -13.0077 -13.0077 -12.6321 -12.6321 -12.6276 -12.6276 1.4352 1.4352 1.4433 1.4433 3.1359 3.1359 3.2039 3.2039 3.2760 3.2760 3.4875 3.4875 10.6000 10.6000 10.9470 10.9470 11.2995 11.2995 12.8138 12.8138 12.9332 12.9332 k = 0.1781 0.1781 0.1781 ( 1893 PWs) bands (ev): -31.7571 -31.7571 -13.0095 -13.0095 -12.6341 -12.6341 -12.6295 -12.6295 1.4377 1.4377 1.4451 1.4451 3.1484 3.1484 3.2098 3.2098 3.2816 3.2816 3.5409 3.5409 10.5522 10.5522 10.9160 10.9160 11.2477 11.2477 12.7879 12.7879 12.8958 12.8958 k = 0.1849 0.1849 0.1849 ( 1893 PWs) bands (ev): -31.7566 -31.7566 -13.0113 -13.0113 -12.6361 -12.6361 -12.6314 -12.6314 1.4401 1.4401 1.4468 1.4468 3.1585 3.1585 3.2159 3.2159 3.2821 3.2821 3.6035 3.6035 10.5044 10.5044 10.8841 10.8841 11.2008 11.2008 12.7646 12.7646 12.8609 12.8609 k = 0.1918 0.1918 0.1918 ( 1893 PWs) bands (ev): -31.7561 -31.7561 -13.0131 -13.0131 -12.6380 -12.6380 -12.6334 -12.6334 1.4425 1.4425 1.4482 1.4482 3.1673 3.1673 3.2222 3.2222 3.2794 3.2794 3.6724 3.6724 10.4567 10.4567 10.8510 10.8510 11.1588 11.1588 12.7439 12.7439 12.8288 12.8288 k = 0.1986 0.1986 0.1986 ( 1887 PWs) bands (ev): -31.7556 -31.7556 -13.0149 -13.0149 -12.6400 -12.6400 -12.6353 -12.6353 1.4448 1.4448 1.4495 1.4495 3.1753 3.1753 3.2287 3.2287 3.2747 3.2747 3.7458 3.7458 10.4088 10.4088 10.8167 10.8167 11.1217 11.1217 12.7260 12.7260 12.7998 12.7998 k = 0.2055 0.2055 0.2055 ( 1887 PWs) bands (ev): -31.7551 -31.7551 -13.0167 -13.0167 -12.6420 -12.6420 -12.6373 -12.6373 1.4471 1.4471 1.4506 1.4506 3.1828 3.1828 3.2354 3.2354 3.2686 3.2686 3.8227 3.8227 10.3609 10.3609 10.7811 10.7811 11.0894 11.0894 12.7111 12.7111 12.7740 12.7740 k = 0.2123 0.2123 0.2123 ( 1893 PWs) bands (ev): -31.7546 -31.7546 -13.0186 -13.0186 -12.6440 -12.6440 -12.6394 -12.6394 1.4493 1.4493 1.4515 1.4515 3.1900 3.1900 3.2422 3.2422 3.2617 3.2617 3.9022 3.9022 10.3127 10.3127 10.7441 10.7441 11.0621 11.0621 12.6993 12.6993 12.7517 12.7517 k = 0.2192 0.2192 0.2192 ( 1893 PWs) bands (ev): -31.7541 -31.7541 -13.0205 -13.0205 -12.6459 -12.6459 -12.6414 -12.6414 1.4514 1.4514 1.4522 1.4522 3.1969 3.1969 3.2493 3.2493 3.2543 3.2543 3.9841 3.9841 10.2642 10.2642 10.7058 10.7058 11.0398 11.0398 12.6907 12.6907 12.7330 12.7330 k = 0.2260 0.2260 0.2260 ( 1893 PWs) bands (ev): -31.7536 -31.7536 -13.0224 -13.0224 -12.6479 -12.6479 -12.6435 -12.6435 1.4528 1.4528 1.4534 1.4534 3.2035 3.2035 3.2469 3.2469 3.2565 3.2565 4.0679 4.0679 10.2152 10.2152 10.6660 10.6660 11.0225 11.0225 12.6853 12.6853 12.7182 12.7182 k = 0.2329 0.2329 0.2329 ( 1887 PWs) bands (ev): -31.7531 -31.7531 -13.0242 -13.0242 -12.6498 -12.6498 -12.6455 -12.6455 1.4532 1.4532 1.4554 1.4554 3.2091 3.2091 3.2402 3.2402 3.2638 3.2638 4.1533 4.1533 10.1656 10.1656 10.6248 10.6248 11.0103 11.0103 12.6834 12.6834 12.7074 12.7074 k = 0.2397 0.2397 0.2397 ( 1893 PWs) bands (ev): -31.7526 -31.7526 -13.0261 -13.0261 -12.6518 -12.6518 -12.6477 -12.6477 1.4534 1.4534 1.4572 1.4572 3.2118 3.2118 3.2361 3.2361 3.2714 3.2714 4.2403 4.2403 10.1154 10.1154 10.5820 10.5820 11.0029 11.0029 12.6849 12.6849 12.7004 12.7004 k = 0.2466 0.2466 0.2466 ( 1899 PWs) bands (ev): -31.7520 -31.7520 -13.0280 -13.0280 -12.6538 -12.6538 -12.6498 -12.6498 1.4536 1.4536 1.4589 1.4589 3.2092 3.2092 3.2375 3.2375 3.2791 3.2791 4.3286 4.3286 10.0644 10.0644 10.5379 10.5379 11.0004 11.0004 12.6898 12.6898 12.6976 12.6976 k = 0.2534 0.2534 0.2534 ( 1899 PWs) bands (ev): -31.7515 -31.7515 -13.0299 -13.0299 -12.6557 -12.6557 -12.6518 -12.6518 1.4536 1.4536 1.4606 1.4606 3.2027 3.2027 3.2429 3.2429 3.2869 3.2869 4.4181 4.4181 10.0128 10.0128 10.4924 10.4924 11.0024 11.0024 12.6982 12.6982 12.6990 12.6990 k = 0.2603 0.2603 0.2603 ( 1893 PWs) bands (ev): -31.7510 -31.7510 -13.0317 -13.0317 -12.6575 -12.6575 -12.6539 -12.6539 1.4535 1.4535 1.4621 1.4621 3.1946 3.1946 3.2501 3.2501 3.2949 3.2949 4.5087 4.5087 9.9604 9.9604 10.4457 10.4457 11.0088 11.0088 12.7046 12.7046 12.7102 12.7102 k = 0.2671 0.2671 0.2671 ( 1890 PWs) bands (ev): -31.7505 -31.7505 -13.0335 -13.0335 -12.6594 -12.6594 -12.6559 -12.6559 1.4534 1.4534 1.4636 1.4636 3.1859 3.1859 3.2582 3.2582 3.3031 3.3031 4.6003 4.6003 9.9074 9.9074 10.3978 10.3978 11.0192 11.0192 12.7142 12.7142 12.7256 12.7256 k = 0.2740 0.2740 0.2740 ( 1890 PWs) bands (ev): -31.7500 -31.7500 -13.0354 -13.0354 -12.6613 -12.6613 -12.6580 -12.6580 1.4532 1.4532 1.4649 1.4649 3.1770 3.1770 3.2667 3.2667 3.3113 3.3113 4.6928 4.6928 9.8538 9.8538 10.3489 10.3489 11.0330 11.0330 12.7278 12.7278 12.7444 12.7444 k = 0.2808 0.2808 0.2808 ( 1890 PWs) bands (ev): -31.7494 -31.7494 -13.0372 -13.0372 -12.6631 -12.6631 -12.6600 -12.6600 1.4530 1.4530 1.4662 1.4662 3.1681 3.1681 3.2756 3.2756 3.3197 3.3197 4.7863 4.7863 9.7997 9.7997 10.2991 10.2991 11.0498 11.0498 12.7455 12.7455 12.7667 12.7667 k = 0.2877 0.2877 0.2877 ( 1881 PWs) bands (ev): -31.7489 -31.7489 -13.0389 -13.0389 -12.6649 -12.6649 -12.6620 -12.6620 1.4527 1.4527 1.4673 1.4673 3.1593 3.1593 3.2848 3.2848 3.3282 3.3282 4.8805 4.8805 9.7453 9.7453 10.2486 10.2486 11.0688 11.0688 12.7671 12.7671 12.7923 12.7923 k = 0.2945 0.2945 0.2945 ( 1893 PWs) bands (ev): -31.7484 -31.7484 -13.0408 -13.0408 -12.6667 -12.6667 -12.6640 -12.6640 1.4525 1.4525 1.4683 1.4683 3.1506 3.1506 3.2943 3.2943 3.3368 3.3368 4.9755 4.9755 9.6905 9.6905 10.1975 10.1975 11.0892 11.0892 12.7924 12.7924 12.8210 12.8210 k = 0.3014 0.3014 0.3014 ( 1893 PWs) bands (ev): -31.7480 -31.7480 -13.0425 -13.0425 -12.6685 -12.6685 -12.6660 -12.6660 1.4524 1.4524 1.4693 1.4693 3.1421 3.1421 3.3040 3.3040 3.3455 3.3455 5.0712 5.0712 9.6357 9.6357 10.1460 10.1460 11.1099 11.1099 12.8214 12.8214 12.8531 12.8531 k = 0.3082 0.3082 0.3082 ( 1881 PWs) bands (ev): -31.7474 -31.7474 -13.0442 -13.0442 -12.6701 -12.6701 -12.6679 -12.6679 1.4523 1.4523 1.4701 1.4701 3.1339 3.1339 3.3139 3.3139 3.3543 3.3543 5.1677 5.1677 9.5810 9.5810 10.0944 10.0944 11.1298 11.1298 12.8542 12.8542 12.8884 12.8884 k = 0.3151 0.3151 0.3151 ( 1881 PWs) bands (ev): -31.7470 -31.7470 -13.0459 -13.0459 -12.6719 -12.6719 -12.6698 -12.6698 1.4523 1.4523 1.4709 1.4709 3.1259 3.1259 3.3241 3.3241 3.3631 3.3631 5.2648 5.2648 9.5264 9.5264 10.0427 10.0427 11.1475 11.1475 12.8903 12.8903 12.9266 12.9266 k = 0.3219 0.3219 0.3219 ( 1881 PWs) bands (ev): -31.7465 -31.7465 -13.0475 -13.0475 -12.6735 -12.6735 -12.6716 -12.6716 1.4523 1.4523 1.4716 1.4716 3.1183 3.1183 3.3343 3.3343 3.3719 3.3719 5.3626 5.3626 9.4721 9.4721 9.9911 9.9911 11.1612 11.1612 12.9298 12.9298 12.9678 12.9678 k = 0.3288 0.3288 0.3288 ( 1878 PWs) bands (ev): -31.7460 -31.7460 -13.0492 -13.0492 -12.6751 -12.6751 -12.6735 -12.6735 1.4525 1.4525 1.4722 1.4722 3.1109 3.1109 3.3447 3.3447 3.3808 3.3808 5.4612 5.4612 9.4183 9.4183 9.9398 9.9398 11.1693 11.1693 12.9724 12.9724 13.0117 13.0117 k = 0.3356 0.3356 0.3356 ( 1878 PWs) bands (ev): -31.7456 -31.7456 -13.0508 -13.0508 -12.6767 -12.6767 -12.6752 -12.6752 1.4528 1.4528 1.4727 1.4727 3.1039 3.1039 3.3552 3.3552 3.3897 3.3897 5.5604 5.5604 9.3652 9.3652 9.8891 9.8891 11.1695 11.1695 13.0181 13.0181 13.0584 13.0584 k = 0.3425 0.3425 0.3425 ( 1878 PWs) bands (ev): -31.7452 -31.7452 -13.0523 -13.0523 -12.6783 -12.6783 -12.6770 -12.6770 1.4532 1.4532 1.4732 1.4732 3.0972 3.0972 3.3658 3.3658 3.3985 3.3985 5.6603 5.6603 9.3127 9.3127 9.8390 9.8390 11.1600 11.1600 13.0667 13.0667 13.1077 13.1077 k = 0.3493 0.3493 0.3493 ( 1881 PWs) bands (ev): -31.7447 -31.7447 -13.0539 -13.0539 -12.6798 -12.6798 -12.6787 -12.6787 1.4537 1.4537 1.4736 1.4736 3.0910 3.0910 3.3764 3.3764 3.4073 3.4073 5.7609 5.7609 9.2612 9.2612 9.7897 9.7897 11.1389 11.1389 13.1181 13.1181 13.1592 13.1592 k = 0.3562 0.3562 0.3562 ( 1875 PWs) bands (ev): -31.7443 -31.7443 -13.0553 -13.0553 -12.6813 -12.6813 -12.6803 -12.6803 1.4544 1.4544 1.4739 1.4739 3.0850 3.0850 3.3869 3.3869 3.4160 3.4160 5.8623 5.8623 9.2107 9.2107 9.7413 9.7413 11.1047 11.1047 13.1722 13.1722 13.2129 13.2129 k = 0.3630 0.3630 0.3630 ( 1875 PWs) bands (ev): -31.7439 -31.7439 -13.0567 -13.0567 -12.6827 -12.6827 -12.6819 -12.6819 1.4551 1.4551 1.4742 1.4742 3.0795 3.0795 3.3975 3.3975 3.4246 3.4246 5.9644 5.9644 9.1613 9.1613 9.6942 9.6942 11.0566 11.0566 13.2289 13.2289 13.2683 13.2683 k = 0.3699 0.3699 0.3699 ( 1875 PWs) bands (ev): -31.7435 -31.7435 -13.0581 -13.0581 -12.6841 -12.6841 -12.6834 -12.6834 1.4560 1.4560 1.4744 1.4744 3.0743 3.0743 3.4079 3.4079 3.4330 3.4330 6.0673 6.0673 9.1132 9.1132 9.6483 9.6483 10.9944 10.9944 13.2879 13.2879 13.3248 13.3248 k = 0.3767 0.3767 0.3767 ( 1875 PWs) bands (ev): -31.7432 -31.7432 -13.0595 -13.0595 -12.6855 -12.6855 -12.6849 -12.6849 1.4570 1.4570 1.4745 1.4745 3.0695 3.0695 3.4181 3.4181 3.4413 3.4413 6.1710 6.1710 9.0665 9.0665 9.6038 9.6038 10.9186 10.9186 13.3492 13.3492 13.3819 13.3819 k = 0.3836 0.3836 0.3836 ( 1884 PWs) bands (ev): -31.7428 -31.7428 -13.0608 -13.0608 -12.6868 -12.6868 -12.6863 -12.6863 1.4581 1.4581 1.4747 1.4747 3.0650 3.0650 3.4282 3.4282 3.4494 3.4494 6.2755 6.2755 9.0211 9.0211 9.5609 9.5609 10.8306 10.8306 13.4127 13.4128 13.4392 13.4392 k = 0.3904 0.3904 0.3904 ( 1884 PWs) bands (ev): -31.7425 -31.7425 -13.0620 -13.0620 -12.6880 -12.6880 -12.6876 -12.6876 1.4593 1.4593 1.4748 1.4748 3.0609 3.0609 3.4380 3.4380 3.4572 3.4572 6.3809 6.3809 8.9774 8.9774 9.5197 9.5197 10.7319 10.7319 13.4783 13.4783 13.4983 13.4983 k = 0.3973 0.3973 0.3973 ( 1884 PWs) bands (ev): -31.7422 -31.7422 -13.0632 -13.0632 -12.6892 -12.6892 -12.6889 -12.6889 1.4605 1.4605 1.4748 1.4748 3.0572 3.0572 3.4476 3.4476 3.4648 3.4648 6.4870 6.4870 8.9352 8.9352 9.4804 9.4804 10.6243 10.6243 13.5458 13.5459 13.5611 13.5611 k = 0.4041 0.4041 0.4041 ( 1884 PWs) bands (ev): -31.7419 -31.7419 -13.0643 -13.0643 -12.6904 -12.6904 -12.6901 -12.6901 1.4618 1.4618 1.4748 1.4748 3.0538 3.0538 3.4568 3.4568 3.4721 3.4721 6.5940 6.5940 8.8946 8.8946 9.4429 9.4429 10.5096 10.5096 13.6152 13.6152 13.6289 13.6289 k = 0.4110 0.4110 0.4110 ( 1878 PWs) bands (ev): -31.7416 -31.7416 -13.0653 -13.0653 -12.6914 -12.6914 -12.6912 -12.6912 1.4631 1.4631 1.4749 1.4749 3.0507 3.0507 3.4656 3.4656 3.4791 3.4791 6.7017 6.7017 8.8556 8.8556 9.4076 9.4076 10.3897 10.3897 13.6862 13.6862 13.7012 13.7012 k = 0.4178 0.4178 0.4178 ( 1881 PWs) bands (ev): -31.7413 -31.7413 -13.0663 -13.0663 -12.6924 -12.6924 -12.6922 -12.6922 1.4645 1.4645 1.4748 1.4748 3.0479 3.0479 3.4740 3.4740 3.4857 3.4857 6.8102 6.8102 8.8182 8.8182 9.3744 9.3744 10.2661 10.2661 13.7587 13.7587 13.7767 13.7767 k = 0.4247 0.4247 0.4247 ( 1881 PWs) bands (ev): -31.7411 -31.7411 -13.0672 -13.0672 -12.6933 -12.6933 -12.6932 -12.6932 1.4658 1.4658 1.4748 1.4748 3.0454 3.0454 3.4820 3.4820 3.4920 3.4920 6.9192 6.9192 8.7823 8.7823 9.3435 9.3435 10.1406 10.1406 13.8327 13.8327 13.8541 13.8541 k = 0.4315 0.4315 0.4315 ( 1880 PWs) bands (ev): -31.7409 -31.7409 -13.0680 -13.0680 -12.6942 -12.6942 -12.6941 -12.6941 1.4671 1.4671 1.4748 1.4748 3.0433 3.0433 3.4894 3.4894 3.4978 3.4978 7.0286 7.0286 8.7477 8.7477 9.3149 9.3149 10.0146 10.0146 13.9080 13.9080 13.9327 13.9327 k = 0.4384 0.4384 0.4384 ( 1880 PWs) bands (ev): -31.7406 -31.7406 -13.0688 -13.0688 -12.6950 -12.6950 -12.6949 -12.6949 1.4683 1.4683 1.4747 1.4747 3.0413 3.0413 3.4962 3.4962 3.5031 3.5031 7.1381 7.1381 8.7141 8.7141 9.2888 9.2888 9.8898 9.8898 13.9844 13.9844 14.0119 14.0119 k = 0.4452 0.4452 0.4452 ( 1880 PWs) bands (ev): -31.7405 -31.7405 -13.0694 -13.0694 -12.6957 -12.6957 -12.6956 -12.6956 1.4695 1.4695 1.4747 1.4747 3.0396 3.0396 3.5025 3.5025 3.5080 3.5080 7.2474 7.2474 8.6812 8.6812 9.2653 9.2653 9.7676 9.7676 14.0619 14.0619 14.0914 14.0914 k = 0.4521 0.4521 0.4521 ( 1880 PWs) bands (ev): -31.7403 -31.7403 -13.0701 -13.0701 -12.6963 -12.6963 -12.6963 -12.6963 1.4706 1.4706 1.4747 1.4747 3.0382 3.0382 3.5081 3.5081 3.5124 3.5124 7.3559 7.3559 8.6484 8.6484 9.2443 9.2443 9.6500 9.6500 14.1403 14.1403 14.1714 14.1714 k = 0.4589 0.4589 0.4589 ( 1880 PWs) bands (ev): -31.7402 -31.7402 -13.0706 -13.0706 -12.6968 -12.6968 -12.6968 -12.6968 1.4715 1.4715 1.4746 1.4746 3.0370 3.0370 3.5130 3.5130 3.5162 3.5162 7.4627 7.4627 8.6150 8.6150 9.2260 9.2260 9.5392 9.5392 14.2194 14.2194 14.2515 14.2515 k = 0.4658 0.4658 0.4658 ( 1880 PWs) bands (ev): -31.7400 -31.7400 -13.0710 -13.0710 -12.6973 -12.6973 -12.6973 -12.6973 1.4724 1.4724 1.4746 1.4746 3.0360 3.0360 3.5173 3.5173 3.5195 3.5195 7.5665 7.5665 8.5802 8.5802 9.2104 9.2104 9.4377 9.4377 14.2992 14.2992 14.3316 14.3316 k = 0.4726 0.4726 0.4726 ( 1880 PWs) bands (ev): -31.7399 -31.7399 -13.0714 -13.0714 -12.6977 -12.6977 -12.6977 -12.6977 1.4731 1.4731 1.4745 1.4745 3.0351 3.0351 3.5208 3.5208 3.5222 3.5222 7.6652 7.6652 8.5435 8.5435 9.1976 9.1976 9.3485 9.3485 14.3794 14.3794 14.4116 14.4116 k = 0.4795 0.4795 0.4795 ( 1880 PWs) bands (ev): -31.7399 -31.7399 -13.0717 -13.0717 -12.6980 -12.6980 -12.6980 -12.6980 1.4737 1.4737 1.4745 1.4745 3.0345 3.0345 3.5235 3.5235 3.5243 3.5243 7.7555 7.7555 8.5054 8.5054 9.1875 9.1875 9.2749 9.2749 14.4598 14.4598 14.4907 14.4907 k = 0.4863 0.4863 0.4863 ( 1880 PWs) bands (ev): -31.7398 -31.7398 -13.0719 -13.0719 -12.6982 -12.6982 -12.6982 -12.6982 1.4741 1.4741 1.4745 1.4745 3.0341 3.0341 3.5255 3.5255 3.5259 3.5259 7.8318 7.8318 8.4687 8.4687 9.1804 9.1804 9.2200 9.2200 14.5403 14.5403 14.5681 14.5681 k = 0.4932 0.4932 0.4932 ( 1880 PWs) bands (ev): -31.7398 -31.7398 -13.0720 -13.0720 -12.6983 -12.6983 -12.6983 -12.6983 1.4744 1.4744 1.4745 1.4745 3.0338 3.0338 3.5267 3.5267 3.5268 3.5268 7.8852 7.8852 8.4399 8.4399 9.1761 9.1761 9.1861 9.1861 14.6207 14.6207 14.6411 14.6411 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -31.7398 -31.7398 -13.0722 -13.0722 -12.6985 -12.6985 -12.6985 -12.6985 1.4744 1.4744 1.4744 1.4744 3.0337 3.0337 3.5271 3.5271 3.5271 3.5271 7.9048 7.9048 8.4285 8.4285 9.1746 9.1746 9.1746 9.1746 14.7024 14.7031 14.7032 14.7032 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -31.7398 -31.7398 -13.0722 -13.0722 -12.6985 -12.6985 -12.6985 -12.6985 1.4744 1.4744 1.4744 1.4744 3.0337 3.0337 3.5271 3.5271 3.5271 3.5271 7.9048 7.9048 8.4285 8.4285 9.1746 9.1746 9.1746 9.1746 14.6992 14.7030 14.7032 14.7032 k = 0.4917 0.5000 0.4917 ( 1888 PWs) bands (ev): -31.7398 -31.7398 -13.0721 -13.0721 -12.6985 -12.6985 -12.6983 -12.6983 1.4744 1.4744 1.4744 1.4744 3.0338 3.0338 3.5266 3.5266 3.5269 3.5269 7.8854 7.8854 8.4397 8.4397 9.1758 9.1758 9.1862 9.1862 14.6126 14.6126 14.6528 14.6528 k = 0.4833 0.5000 0.4833 ( 1884 PWs) bands (ev): -31.7398 -31.7398 -13.0719 -13.0719 -12.6984 -12.6984 -12.6981 -12.6981 1.4741 1.4741 1.4744 1.4744 3.0341 3.0341 3.5251 3.5251 3.5263 3.5263 7.8328 7.8328 8.4680 8.4680 9.1792 9.1792 9.2205 9.2205 14.5204 14.5204 14.5899 14.5899 k = 0.4750 0.5000 0.4750 ( 1880 PWs) bands (ev): -31.7399 -31.7399 -13.0717 -13.0717 -12.6983 -12.6983 -12.6977 -12.6977 1.4738 1.4738 1.4744 1.4744 3.0345 3.0345 3.5225 3.5225 3.5254 3.5254 7.7578 7.7578 8.5037 8.5037 9.1849 9.1849 9.2764 9.2764 14.4273 14.4273 14.5161 14.5161 k = 0.4667 0.5000 0.4667 ( 1880 PWs) bands (ev): -31.7399 -31.7399 -13.0714 -13.0714 -12.6982 -12.6982 -12.6972 -12.6972 1.4732 1.4732 1.4744 1.4744 3.0351 3.0351 3.5190 3.5190 3.5241 3.5241 7.6693 7.6693 8.5401 8.5401 9.1930 9.1930 9.3517 9.3517 14.3344 14.3344 14.4337 14.4338 k = 0.4583 0.5000 0.4583 ( 1880 PWs) bands (ev): -31.7400 -31.7400 -13.0711 -13.0711 -12.6981 -12.6981 -12.6966 -12.6966 1.4725 1.4725 1.4744 1.4744 3.0359 3.0359 3.5146 3.5146 3.5224 3.5224 7.5729 7.5729 8.5740 8.5740 9.2034 9.2034 9.4434 9.4434 14.2420 14.2420 14.3448 14.3448 k = 0.4500 0.5000 0.4500 ( 1880 PWs) bands (ev): -31.7402 -31.7402 -13.0706 -13.0706 -12.6979 -12.6979 -12.6958 -12.6958 1.4717 1.4717 1.4744 1.4744 3.0369 3.0369 3.5093 3.5093 3.5203 3.5203 7.4721 7.4721 8.6048 8.6048 9.2161 9.2161 9.5484 9.5484 14.1503 14.1503 14.2511 14.2511 k = 0.4417 0.5000 0.4417 ( 1880 PWs) bands (ev): -31.7403 -31.7403 -13.0701 -13.0701 -12.6977 -12.6977 -12.6949 -12.6949 1.4708 1.4708 1.4744 1.4744 3.0380 3.0380 3.5030 3.5030 3.5178 3.5178 7.3691 7.3691 8.6328 8.6328 9.2313 9.2313 9.6641 9.6641 14.0594 14.0594 14.1543 14.1543 k = 0.4333 0.5000 0.4333 ( 1880 PWs) bands (ev): -31.7405 -31.7405 -13.0695 -13.0695 -12.6975 -12.6975 -12.6938 -12.6938 1.4697 1.4697 1.4744 1.4744 3.0394 3.0394 3.4960 3.4960 3.5150 3.5150 7.2652 7.2652 8.6584 8.6584 9.2489 9.2489 9.7881 9.7881 13.9692 13.9692 14.0560 14.0560 k = 0.4250 0.5000 0.4250 ( 1880 PWs) bands (ev): -31.7406 -31.7406 -13.0688 -13.0688 -12.6973 -12.6973 -12.6926 -12.6926 1.4686 1.4686 1.4743 1.4743 3.0410 3.0410 3.4882 3.4882 3.5118 3.5118 7.1614 7.1614 8.6819 8.6819 9.2690 9.2690 9.9185 9.9185 13.8798 13.8798 13.9576 13.9576 k = 0.4167 0.5000 0.4167 ( 1880 PWs) bands (ev): -31.7408 -31.7408 -13.0681 -13.0681 -12.6971 -12.6971 -12.6913 -12.6913 1.4673 1.4673 1.4743 1.4743 3.0428 3.0428 3.4797 3.4797 3.5081 3.5081 7.0583 7.0583 8.7035 8.7035 9.2919 9.2919 10.0540 10.0540 13.7911 13.7911 13.8606 13.8606 k = 0.4083 0.5000 0.4083 ( 1882 PWs) bands (ev): -31.7411 -31.7411 -13.0673 -13.0673 -12.6968 -12.6968 -12.6899 -12.6899 1.4659 1.4659 1.4742 1.4742 3.0448 3.0448 3.4706 3.4706 3.5042 3.5042 6.9565 6.9565 8.7231 8.7231 9.3175 9.3175 10.1934 10.1934 13.7032 13.7032 13.7659 13.7659 k = 0.4000 0.5000 0.4000 ( 1886 PWs) bands (ev): -31.7413 -31.7413 -13.0665 -13.0665 -12.6965 -12.6965 -12.6883 -12.6883 1.4645 1.4645 1.4742 1.4742 3.0470 3.0470 3.4609 3.4609 3.4998 3.4998 6.8563 6.8563 8.7404 8.7404 9.3462 9.3462 10.3359 10.3359 13.6163 13.6163 13.6743 13.6743 k = 0.3917 0.5000 0.3917 ( 1878 PWs) bands (ev): -31.7415 -31.7415 -13.0655 -13.0655 -12.6962 -12.6962 -12.6866 -12.6866 1.4630 1.4630 1.4741 1.4741 3.0495 3.0495 3.4507 3.4507 3.4950 3.4950 6.7579 6.7579 8.7550 8.7550 9.3779 9.3779 10.4807 10.4807 13.5310 13.5310 13.5864 13.5864 k = 0.3833 0.5000 0.3833 ( 1888 PWs) bands (ev): -31.7418 -31.7418 -13.0646 -13.0646 -12.6959 -12.6959 -12.6848 -12.6848 1.4614 1.4614 1.4740 1.4740 3.0522 3.0522 3.4401 3.4401 3.4898 3.4898 6.6616 6.6616 8.7664 8.7664 9.4129 9.4129 10.6272 10.6272 13.4476 13.4476 13.5022 13.5022 k = 0.3750 0.5000 0.3750 ( 1888 PWs) bands (ev): -31.7421 -31.7421 -13.0636 -13.0636 -12.6955 -12.6955 -12.6829 -12.6829 1.4598 1.4598 1.4740 1.4740 3.0552 3.0552 3.4292 3.4292 3.4843 3.4843 6.5676 6.5676 8.7742 8.7742 9.4513 9.4513 10.7748 10.7748 13.3669 13.3669 13.4222 13.4222 k = 0.3667 0.5000 0.3667 ( 1876 PWs) bands (ev): -31.7424 -31.7424 -13.0625 -13.0625 -12.6951 -12.6951 -12.6808 -12.6808 1.4582 1.4582 1.4739 1.4739 3.0585 3.0585 3.4180 3.4180 3.4783 3.4783 6.4761 6.4761 8.7778 8.7778 9.4932 9.4932 10.9229 10.9229 13.2889 13.2889 13.3470 13.3470 k = 0.3583 0.5000 0.3583 ( 1876 PWs) bands (ev): -31.7427 -31.7427 -13.0614 -13.0614 -12.6947 -12.6947 -12.6787 -12.6787 1.4566 1.4566 1.4738 1.4738 3.0619 3.0619 3.4066 3.4066 3.4720 3.4720 6.3870 6.3870 8.7770 8.7770 9.5385 9.5385 11.0709 11.0709 13.2128 13.2128 13.2776 13.2776 k = 0.3500 0.5000 0.3500 ( 1868 PWs) bands (ev): -31.7430 -31.7430 -13.0602 -13.0602 -12.6942 -12.6942 -12.6765 -12.6765 1.4550 1.4550 1.4736 1.4736 3.0657 3.0657 3.3951 3.3951 3.4652 3.4652 6.3006 6.3006 8.7712 8.7712 9.5872 9.5872 11.2181 11.2181 13.1382 13.1382 13.2151 13.2151 k = 0.3417 0.5000 0.3417 ( 1868 PWs) bands (ev): -31.7434 -31.7434 -13.0591 -13.0591 -12.6938 -12.6938 -12.6742 -12.6742 1.4534 1.4534 1.4735 1.4735 3.0697 3.0697 3.3836 3.3836 3.4581 3.4581 6.2168 6.2168 8.7603 8.7603 9.6391 9.6391 11.3638 11.3638 13.0644 13.0644 13.1606 13.1606 k = 0.3333 0.5000 0.3333 ( 1868 PWs) bands (ev): -31.7437 -31.7437 -13.0579 -13.0579 -12.6933 -12.6933 -12.6719 -12.6719 1.4518 1.4518 1.4734 1.4734 3.0739 3.0739 3.3721 3.3721 3.4506 3.4506 6.1358 6.1358 8.7441 8.7441 9.6942 9.6942 11.5070 11.5070 12.9914 12.9914 13.1144 13.1144 k = 0.3250 0.5000 0.3250 ( 1880 PWs) bands (ev): -31.7441 -31.7441 -13.0568 -13.0568 -12.6929 -12.6929 -12.6695 -12.6695 1.4503 1.4503 1.4732 1.4732 3.0784 3.0784 3.3608 3.3608 3.4426 3.4426 6.0576 6.0576 8.7224 8.7224 9.7522 9.7522 11.6466 11.6466 12.9191 12.9191 13.0766 13.0766 k = 0.3167 0.5000 0.3167 ( 1886 PWs) bands (ev): -31.7445 -31.7445 -13.0556 -13.0556 -12.6924 -12.6924 -12.6670 -12.6670 1.4488 1.4488 1.4730 1.4730 3.0831 3.0831 3.3496 3.3496 3.4344 3.4344 5.9823 5.9823 8.6954 8.6954 9.8130 9.8130 11.7813 11.7813 12.8478 12.8478 13.0471 13.0471 k = 0.3083 0.5000 0.3083 ( 1886 PWs) bands (ev): -31.7449 -31.7449 -13.0543 -13.0543 -12.6919 -12.6919 -12.6645 -12.6645 1.4474 1.4474 1.4728 1.4728 3.0880 3.0880 3.3387 3.3387 3.4257 3.4257 5.9098 5.9098 8.6630 8.6630 9.8762 9.8762 11.9095 11.9095 12.7776 12.7776 13.0259 13.0259 k = 0.3000 0.5000 0.3000 ( 1874 PWs) bands (ev): -31.7453 -31.7453 -13.0530 -13.0530 -12.6913 -12.6913 -12.6618 -12.6618 1.4460 1.4460 1.4727 1.4727 3.0931 3.0931 3.3282 3.3282 3.4168 3.4168 5.8402 5.8402 8.6254 8.6254 9.9418 9.9418 12.0292 12.0292 12.7087 12.7087 13.0128 13.0128 k = 0.2917 0.5000 0.2917 ( 1886 PWs) bands (ev): -31.7457 -31.7457 -13.0519 -13.0519 -12.6908 -12.6908 -12.6592 -12.6592 1.4447 1.4447 1.4725 1.4725 3.0983 3.0983 3.3180 3.3180 3.4074 3.4074 5.7735 5.7735 8.5830 8.5830 10.0093 10.0093 12.1381 12.1381 12.6411 12.6411 13.0070 13.0070 k = 0.2833 0.5000 0.2833 ( 1886 PWs) bands (ev): -31.7461 -31.7461 -13.0506 -13.0506 -12.6902 -12.6902 -12.6565 -12.6565 1.4434 1.4434 1.4723 1.4723 3.1037 3.1037 3.3084 3.3084 3.3978 3.3978 5.7097 5.7097 8.5359 8.5359 10.0786 10.0786 12.2337 12.2337 12.5751 12.5751 13.0087 13.0087 k = 0.2750 0.5000 0.2750 ( 1878 PWs) bands (ev): -31.7465 -31.7465 -13.0494 -13.0494 -12.6896 -12.6896 -12.6537 -12.6537 1.4422 1.4422 1.4721 1.4721 3.1092 3.1092 3.2994 3.2994 3.3879 3.3879 5.6487 5.6487 8.4847 8.4847 10.1494 10.1494 12.3135 12.3135 12.5113 12.5113 13.0172 13.0172 k = 0.2667 0.5000 0.2667 ( 1882 PWs) bands (ev): -31.7469 -31.7469 -13.0482 -13.0482 -12.6891 -12.6891 -12.6510 -12.6510 1.4411 1.4411 1.4719 1.4719 3.1146 3.1146 3.2910 3.2910 3.3777 3.3777 5.5907 5.5907 8.4295 8.4295 10.2216 10.2216 12.3727 12.3727 12.4526 12.4526 13.0318 13.0318 k = 0.2583 0.5000 0.2583 ( 1882 PWs) bands (ev): -31.7473 -31.7473 -13.0470 -13.0470 -12.6885 -12.6885 -12.6483 -12.6483 1.4400 1.4400 1.4717 1.4717 3.1200 3.1200 3.2834 3.2834 3.3673 3.3673 5.5354 5.5354 8.3710 8.3710 10.2948 10.2948 12.3718 12.3718 12.4384 12.4384 13.0520 13.0521 k = 0.2500 0.5000 0.2500 ( 1882 PWs) bands (ev): -31.7477 -31.7477 -13.0458 -13.0458 -12.6878 -12.6878 -12.6455 -12.6455 1.4390 1.4390 1.4716 1.4716 3.1252 3.1252 3.2766 3.2766 3.3567 3.3567 5.4830 5.4830 8.3094 8.3094 10.3688 10.3688 12.3173 12.3173 12.4631 12.4631 13.0774 13.0774 k = 0.2417 0.5000 0.2417 ( 1890 PWs) bands (ev): -31.7481 -31.7481 -13.0447 -13.0447 -12.6873 -12.6873 -12.6428 -12.6428 1.4381 1.4381 1.4714 1.4714 3.1302 3.1302 3.2709 3.2709 3.3459 3.3459 5.4333 5.4333 8.2453 8.2453 10.4433 10.4433 12.2593 12.2593 12.4781 12.4781 13.1071 13.1071 k = 0.2333 0.5000 0.2333 ( 1894 PWs) bands (ev): -31.7486 -31.7486 -13.0436 -13.0436 -12.6867 -12.6867 -12.6401 -12.6401 1.4371 1.4371 1.4713 1.4713 3.1348 3.1348 3.2662 3.2662 3.3351 3.3351 5.3863 5.3863 8.1792 8.1792 10.5182 10.5182 12.2022 12.2022 12.4817 12.4817 13.1408 13.1408 k = 0.2250 0.5000 0.2250 ( 1894 PWs) bands (ev): -31.7490 -31.7490 -13.0425 -13.0425 -12.6860 -12.6860 -12.6373 -12.6373 1.4363 1.4363 1.4713 1.4713 3.1389 3.1389 3.2626 3.2626 3.3241 3.3241 5.3420 5.3420 8.1114 8.1114 10.5932 10.5932 12.1463 12.1463 12.4758 12.4758 13.1777 13.1777 k = 0.2167 0.5000 0.2167 ( 1892 PWs) bands (ev): -31.7494 -31.7494 -13.0414 -13.0414 -12.6854 -12.6854 -12.6346 -12.6346 1.4354 1.4354 1.4712 1.4712 3.1425 3.1425 3.2604 3.2604 3.3132 3.3132 5.3002 5.3002 8.0424 8.0424 10.6680 10.6680 12.0920 12.0920 12.4624 12.4624 13.2173 13.2173 k = 0.2083 0.5000 0.2083 ( 1892 PWs) bands (ev): -31.7498 -31.7498 -13.0404 -13.0404 -12.6848 -12.6848 -12.6319 -12.6319 1.4346 1.4346 1.4712 1.4712 3.1454 3.1454 3.2593 3.2593 3.3024 3.3024 5.2610 5.2610 7.9726 7.9726 10.7424 10.7424 12.0392 12.0392 12.4433 12.4433 13.2589 13.2589 k = 0.2000 0.5000 0.2000 ( 1900 PWs) bands (ev): -31.7502 -31.7502 -13.0395 -13.0395 -12.6842 -12.6842 -12.6293 -12.6293 1.4338 1.4338 1.4713 1.4713 3.1476 3.1476 3.2595 3.2595 3.2918 3.2918 5.2242 5.2242 7.9024 7.9024 10.8161 10.8161 11.9881 11.9881 12.4201 12.4201 13.3020 13.3020 k = 0.1917 0.5000 0.1917 ( 1904 PWs) bands (ev): -31.7506 -31.7506 -13.0386 -13.0386 -12.6835 -12.6835 -12.6267 -12.6267 1.4329 1.4329 1.4714 1.4714 3.1491 3.1491 3.2604 3.2604 3.2820 3.2820 5.1898 5.1898 7.8322 7.8322 10.8889 10.8889 11.9386 11.9386 12.3940 12.3940 13.3459 13.3459 k = 0.1833 0.5000 0.1833 ( 1896 PWs) bands (ev): -31.7510 -31.7510 -13.0376 -13.0376 -12.6829 -12.6829 -12.6241 -12.6241 1.4321 1.4321 1.4716 1.4716 3.1501 3.1501 3.2601 3.2601 3.2746 3.2746 5.1577 5.1577 7.7623 7.7623 10.9606 10.9606 11.8910 11.8910 12.3660 12.3660 13.3902 13.3902 k = 0.1750 0.5000 0.1750 ( 1890 PWs) bands (ev): -31.7513 -31.7513 -13.0367 -13.0367 -12.6822 -12.6822 -12.6216 -12.6216 1.4313 1.4313 1.4718 1.4718 3.1505 3.1505 3.2547 3.2547 3.2736 3.2736 5.1278 5.1278 7.6931 7.6931 11.0309 11.0309 11.8452 11.8452 12.3368 12.3368 13.4344 13.4344 k = 0.1667 0.5000 0.1667 ( 1890 PWs) bands (ev): -31.7517 -31.7517 -13.0359 -13.0359 -12.6816 -12.6816 -12.6191 -12.6191 1.4305 1.4305 1.4721 1.4721 3.1507 3.1507 3.2459 3.2459 3.2771 3.2771 5.1000 5.1000 7.6249 7.6249 11.0994 11.0994 11.8012 11.8012 12.3071 12.3071 13.4778 13.4778 k = 0.1583 0.5000 0.1583 ( 1890 PWs) bands (ev): -31.7521 -31.7521 -13.0351 -13.0351 -12.6810 -12.6810 -12.6168 -12.6168 1.4296 1.4296 1.4724 1.4724 3.1506 3.1506 3.2365 3.2365 3.2822 3.2822 5.0743 5.0743 7.5580 7.5580 11.1659 11.1659 11.7590 11.7590 12.2774 12.2774 13.5202 13.5202 k = 0.1500 0.5000 0.1500 ( 1898 PWs) bands (ev): -31.7524 -31.7524 -13.0344 -13.0344 -12.6804 -12.6804 -12.6146 -12.6146 1.4288 1.4288 1.4727 1.4727 3.1503 3.1503 3.2271 3.2271 3.2881 3.2881 5.0505 5.0505 7.4927 7.4927 11.2301 11.2301 11.7186 11.7186 12.2481 12.2481 13.5610 13.5610 k = 0.1417 0.5000 0.1417 ( 1898 PWs) bands (ev): -31.7527 -31.7527 -13.0338 -13.0338 -12.6799 -12.6799 -12.6124 -12.6124 1.4279 1.4279 1.4731 1.4731 3.1501 3.1501 3.2179 3.2179 3.2945 3.2945 5.0286 5.0286 7.4292 7.4292 11.2919 11.2919 11.6803 11.6803 12.2196 12.2196 13.6001 13.6001 k = 0.1333 0.5000 0.1333 ( 1894 PWs) bands (ev): -31.7530 -31.7530 -13.0331 -13.0331 -12.6793 -12.6793 -12.6103 -12.6103 1.4271 1.4271 1.4735 1.4735 3.1498 3.1498 3.2091 3.2091 3.3012 3.3012 5.0084 5.0084 7.3679 7.3679 11.3508 11.3508 11.6439 11.6439 12.1924 12.1924 13.6371 13.6371 k = 0.1250 0.5000 0.1250 ( 1902 PWs) bands (ev): -31.7534 -31.7534 -13.0326 -13.0326 -12.6788 -12.6788 -12.6083 -12.6083 1.4262 1.4262 1.4740 1.4740 3.1496 3.1496 3.2007 3.2007 3.3081 3.3081 4.9899 4.9899 7.3089 7.3089 11.4066 11.4066 11.6095 11.6095 12.1666 12.1666 13.6718 13.6718 k = 0.1167 0.5000 0.1167 ( 1900 PWs) bands (ev): -31.7536 -31.7536 -13.0320 -13.0320 -12.6782 -12.6782 -12.6064 -12.6064 1.4253 1.4253 1.4744 1.4744 3.1495 3.1495 3.1928 3.1928 3.3150 3.3150 4.9731 4.9731 7.2526 7.2526 11.4589 11.4589 11.5772 11.5772 12.1426 12.1426 13.7040 13.7040 k = 0.1083 0.5000 0.1083 ( 1900 PWs) bands (ev): -31.7539 -31.7539 -13.0315 -13.0315 -12.6778 -12.6778 -12.6046 -12.6046 1.4245 1.4245 1.4749 1.4749 3.1495 3.1495 3.1853 3.1853 3.3219 3.3219 4.9578 4.9578 7.1991 7.1991 11.5075 11.5075 11.5469 11.5469 12.1207 12.1207 13.7338 13.7338 k = 0.1000 0.5000 0.1000 ( 1900 PWs) bands (ev): -31.7542 -31.7542 -13.0310 -13.0310 -12.6773 -12.6773 -12.6029 -12.6029 1.4237 1.4237 1.4753 1.4753 3.1495 3.1495 3.1784 3.1784 3.3286 3.3286 4.9439 4.9439 7.1486 7.1486 11.5186 11.5186 11.5521 11.5521 12.1012 12.1012 13.7609 13.7609 k = 0.0917 0.5000 0.0917 ( 1896 PWs) bands (ev): -31.7544 -31.7544 -13.0306 -13.0306 -12.6768 -12.6768 -12.6013 -12.6013 1.4229 1.4229 1.4758 1.4758 3.1495 3.1495 3.1722 3.1722 3.3350 3.3350 4.9315 4.9315 7.1014 7.1014 11.4926 11.4926 11.5920 11.5920 12.0844 12.0844 13.7854 13.7854 k = 0.0833 0.5000 0.0833 ( 1900 PWs) bands (ev): -31.7546 -31.7546 -13.0302 -13.0302 -12.6764 -12.6764 -12.5999 -12.5999 1.4221 1.4221 1.4762 1.4762 3.1494 3.1494 3.1666 3.1666 3.3412 3.3412 4.9203 4.9203 7.0575 7.0575 11.4688 11.4688 11.6273 11.6273 12.0705 12.0705 13.8072 13.8072 k = 0.0750 0.5000 0.0750 ( 1892 PWs) bands (ev): -31.7548 -31.7548 -13.0298 -13.0298 -12.6760 -12.6760 -12.5986 -12.5986 1.4214 1.4214 1.4766 1.4766 3.1491 3.1491 3.1619 3.1619 3.3470 3.3470 4.9105 4.9105 7.0173 7.0173 11.4471 11.4471 11.6576 11.6576 12.0598 12.0598 13.8265 13.8265 k = 0.0667 0.5000 0.0667 ( 1896 PWs) bands (ev): -31.7550 -31.7550 -13.0296 -13.0296 -12.6757 -12.6757 -12.5974 -12.5974 1.4208 1.4208 1.4770 1.4770 3.1482 3.1482 3.1584 3.1584 3.3524 3.3524 4.9018 4.9018 6.9809 6.9809 11.4276 11.4276 11.6827 11.6827 12.0522 12.0522 13.8434 13.8434 k = 0.0583 0.5000 0.0583 ( 1896 PWs) bands (ev): -31.7551 -31.7551 -13.0293 -13.0293 -12.6754 -12.6754 -12.5963 -12.5963 1.4202 1.4202 1.4773 1.4773 3.1464 3.1464 3.1563 3.1563 3.3573 3.3573 4.8943 4.8943 6.9483 6.9483 11.4104 11.4104 11.7028 11.7028 12.0478 12.0478 13.8579 13.8579 k = 0.0500 0.5000 0.0500 ( 1896 PWs) bands (ev): -31.7553 -31.7553 -13.0291 -13.0291 -12.6751 -12.6751 -12.5954 -12.5954 1.4197 1.4197 1.4776 1.4776 3.1439 3.1439 3.1554 3.1554 3.3616 3.3616 4.8879 4.8879 6.9198 6.9198 11.3954 11.3954 11.7181 11.7181 12.0460 12.0460 13.8702 13.8702 k = 0.0417 0.5000 0.0417 ( 1888 PWs) bands (ev): -31.7554 -31.7554 -13.0288 -13.0288 -12.6748 -12.6748 -12.5946 -12.5946 1.4192 1.4192 1.4779 1.4779 3.1414 3.1414 3.1552 3.1552 3.3654 3.3654 4.8825 4.8825 6.8955 6.8955 11.3827 11.3827 11.7294 11.7294 12.0464 12.0464 13.8804 13.8804 k = 0.0333 0.5000 0.0333 ( 1888 PWs) bands (ev): -31.7555 -31.7555 -13.0287 -13.0287 -12.6746 -12.6746 -12.5940 -12.5940 1.4188 1.4188 1.4781 1.4781 3.1392 3.1392 3.1552 3.1552 3.3685 3.3685 4.8782 4.8782 6.8754 6.8754 11.3723 11.3723 11.7373 11.7373 12.0481 12.0481 13.8885 13.8885 k = 0.0250 0.5000 0.0250 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0285 -13.0285 -12.6745 -12.6745 -12.5935 -12.5935 1.4185 1.4185 1.4783 1.4783 3.1373 3.1373 3.1553 3.1553 3.3710 3.3710 4.8748 4.8748 6.8598 6.8598 11.3642 11.3642 11.7425 11.7425 12.0504 12.0504 13.8946 13.8946 k = 0.0167 0.5000 0.0167 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0285 -13.0285 -12.6744 -12.6744 -12.5931 -12.5931 1.4183 1.4183 1.4784 1.4784 3.1360 3.1360 3.1555 3.1555 3.3728 3.3728 4.8725 4.8725 6.8485 6.8485 11.3584 11.3584 11.7457 11.7457 12.0525 12.0525 13.8990 13.8990 k = 0.0083 0.5000 0.0083 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0284 -13.0284 -12.6743 -12.6743 -12.5929 -12.5929 1.4182 1.4182 1.4784 1.4784 3.1352 3.1352 3.1555 3.1555 3.3739 3.3739 4.8710 4.8710 6.8417 6.8417 11.3549 11.3549 11.7474 11.7474 12.0540 12.0540 13.9016 13.9016 k = 0.0000 0.5000-0.0000 ( 1888 PWs) bands (ev): -31.7556 -31.7556 -13.0284 -13.0284 -12.6743 -12.6743 -12.5928 -12.5928 1.4181 1.4181 1.4785 1.4785 3.1349 3.1349 3.1556 3.1556 3.3742 3.3742 4.8706 4.8706 6.8395 6.8395 11.3538 11.3538 11.7480 11.7480 12.0545 12.0545 13.9025 13.9025 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0500 -13.0500 -12.7104 -12.7104 -12.6148 -12.6148 1.3910 1.3910 1.4339 1.4339 3.0743 3.0743 3.0868 3.0868 3.5196 3.5196 5.7918 5.7918 8.8606 8.8606 9.4455 9.4455 11.3329 11.3329 13.3506 13.3506 13.3977 13.3977 k = 0.5000 0.5000 0.0119 ( 1924 PWs) bands (ev): -31.7478 -31.7478 -13.0501 -13.0501 -12.7104 -12.7104 -12.6150 -12.6150 1.3912 1.3912 1.4340 1.4340 3.0749 3.0749 3.0868 3.0868 3.5196 3.5196 5.7928 5.7928 8.8604 8.8604 9.4452 9.4452 11.3352 11.3352 13.3517 13.3517 13.3989 13.3989 k = 0.5000 0.5000 0.0238 ( 1924 PWs) bands (ev): -31.7477 -31.7477 -13.0501 -13.0501 -12.7103 -12.7103 -12.6154 -12.6154 1.3918 1.3918 1.4342 1.4342 3.0765 3.0765 3.0866 3.0866 3.5195 3.5195 5.7959 5.7959 8.8596 8.8596 9.4442 9.4442 11.3420 11.3420 13.3548 13.3548 13.4024 13.4024 k = 0.5000 0.5000 0.0357 ( 1916 PWs) bands (ev): -31.7477 -31.7477 -13.0502 -13.0502 -12.7102 -12.7102 -12.6159 -12.6159 1.3928 1.3928 1.4345 1.4345 3.0792 3.0792 3.0863 3.0863 3.5194 3.5194 5.8011 5.8011 8.8584 8.8584 9.4425 9.4425 11.3533 11.3533 13.3601 13.3601 13.4084 13.4084 k = 0.5000 0.5000 0.0476 ( 1900 PWs) bands (ev): -31.7476 -31.7476 -13.0503 -13.0503 -12.7100 -12.7100 -12.6167 -12.6167 1.3943 1.3943 1.4350 1.4350 3.0830 3.0830 3.0859 3.0859 3.5192 3.5192 5.8084 5.8084 8.8566 8.8566 9.4402 9.4402 11.3691 11.3691 13.3677 13.3677 13.4169 13.4169 k = 0.5000 0.5000 0.0595 ( 1900 PWs) bands (ev): -31.7475 -31.7475 -13.0504 -13.0504 -12.7099 -12.7099 -12.6179 -12.6179 1.3961 1.3961 1.4356 1.4356 3.0854 3.0854 3.0879 3.0879 3.5190 3.5190 5.8178 5.8178 8.8544 8.8544 9.4373 9.4373 11.3894 11.3894 13.3773 13.3773 13.4276 13.4276 k = 0.5000 0.5000 0.0714 ( 1900 PWs) bands (ev): -31.7474 -31.7474 -13.0507 -13.0507 -12.7097 -12.7097 -12.6192 -12.6192 1.3983 1.3983 1.4364 1.4364 3.0848 3.0848 3.0938 3.0938 3.5188 3.5188 5.8293 5.8293 8.8516 8.8516 9.4337 9.4337 11.4141 11.4141 13.3889 13.3889 13.4406 13.4406 k = 0.5000 0.5000 0.0833 ( 1892 PWs) bands (ev): -31.7472 -31.7472 -13.0509 -13.0509 -12.7094 -12.7094 -12.6208 -12.6208 1.4007 1.4007 1.4373 1.4373 3.0841 3.0841 3.1008 3.1008 3.5186 3.5186 5.8431 5.8431 8.8484 8.8484 9.4294 9.4294 11.4435 11.4435 13.4027 13.4027 13.4561 13.4561 k = 0.5000 0.5000 0.0952 ( 1884 PWs) bands (ev): -31.7470 -31.7470 -13.0512 -13.0512 -12.7092 -12.7092 -12.6225 -12.6225 1.4035 1.4035 1.4383 1.4383 3.0833 3.0833 3.1088 3.1088 3.5183 3.5183 5.8591 5.8591 8.8446 8.8446 9.4246 9.4246 11.4772 11.4772 13.4188 13.4188 13.4740 13.4740 k = 0.5000 0.5000 0.1071 ( 1884 PWs) bands (ev): -31.7469 -31.7469 -13.0516 -13.0516 -12.7089 -12.7089 -12.6245 -12.6245 1.4065 1.4065 1.4393 1.4393 3.0823 3.0823 3.1178 3.1178 3.5180 3.5180 5.8774 5.8774 8.8404 8.8404 9.4191 9.4191 11.5154 11.5154 13.4370 13.4370 13.4942 13.4942 k = 0.5000 0.5000 0.1190 ( 1884 PWs) bands (ev): -31.7467 -31.7467 -13.0520 -13.0520 -12.7086 -12.7086 -12.6267 -12.6267 1.4098 1.4098 1.4405 1.4405 3.0813 3.0813 3.1278 3.1278 3.5178 3.5178 5.8981 5.8981 8.8357 8.8357 9.4131 9.4131 11.5579 11.5579 13.4573 13.4573 13.5169 13.5169 k = 0.5000 0.5000 0.1310 ( 1876 PWs) bands (ev): -31.7464 -31.7464 -13.0524 -13.0524 -12.7083 -12.7083 -12.6290 -12.6290 1.4132 1.4132 1.4418 1.4418 3.0801 3.0801 3.1388 3.1388 3.5175 3.5175 5.9212 5.9212 8.8306 8.8306 9.4065 9.4065 11.6048 11.6048 13.4799 13.4799 13.5421 13.5421 k = 0.5000 0.5000 0.1429 ( 1876 PWs) bands (ev): -31.7462 -31.7462 -13.0529 -13.0529 -12.7080 -12.7080 -12.6316 -12.6316 1.4167 1.4167 1.4431 1.4431 3.0788 3.0788 3.1507 3.1507 3.5173 3.5173 5.9468 5.9468 8.8250 8.8250 9.3994 9.3994 11.6561 11.6561 13.5042 13.5042 13.5695 13.5695 k = 0.5000 0.5000 0.1548 ( 1880 PWs) bands (ev): -31.7460 -31.7460 -13.0535 -13.0535 -12.7076 -12.7076 -12.6343 -12.6343 1.4203 1.4203 1.4445 1.4445 3.0774 3.0774 3.1634 3.1634 3.5171 3.5171 5.9749 5.9749 8.8190 8.8190 9.3917 9.3917 11.7116 11.7116 13.5260 13.5260 13.5843 13.5843 k = 0.5000 0.5000 0.1667 ( 1880 PWs) bands (ev): -31.7457 -31.7457 -13.0541 -13.0541 -12.7073 -12.7073 -12.6371 -12.6371 1.4240 1.4240 1.4460 1.4460 3.0759 3.0759 3.1770 3.1770 3.5170 3.5170 6.0057 6.0057 8.8125 8.8125 9.3836 9.3836 11.7715 11.7715 13.4035 13.4035 13.5643 13.5643 k = 0.5000 0.5000 0.1786 ( 1880 PWs) bands (ev): -31.7455 -31.7455 -13.0547 -13.0547 -12.7069 -12.7069 -12.6400 -12.6400 1.4277 1.4277 1.4475 1.4475 3.0743 3.0743 3.1913 3.1913 3.5169 3.5169 6.0392 6.0392 8.8057 8.8057 9.3750 9.3750 11.8355 11.8355 13.2285 13.2285 13.5947 13.5947 k = 0.5000 0.5000 0.1905 ( 1872 PWs) bands (ev): -31.7452 -31.7452 -13.0553 -13.0553 -12.7064 -12.7064 -12.6429 -12.6429 1.4314 1.4314 1.4490 1.4490 3.0726 3.0726 3.2064 3.2064 3.5169 3.5169 6.0756 6.0756 8.7985 8.7985 9.3661 9.3661 11.9038 11.9038 13.0492 13.0492 13.6283 13.6283 k = 0.5000 0.5000 0.2024 ( 1884 PWs) bands (ev): -31.7449 -31.7449 -13.0561 -13.0561 -12.7060 -12.7060 -12.6461 -12.6461 1.4350 1.4350 1.4506 1.4506 3.0709 3.0709 3.2220 3.2220 3.5169 3.5169 6.1149 6.1149 8.7909 8.7909 9.3568 9.3568 11.9760 11.9760 12.8669 12.8669 13.6641 13.6641 k = 0.5000 0.5000 0.2143 ( 1876 PWs) bands (ev): -31.7446 -31.7446 -13.0567 -13.0567 -12.7056 -12.7056 -12.6492 -12.6492 1.4385 1.4385 1.4521 1.4521 3.0690 3.0690 3.2382 3.2382 3.5170 3.5170 6.1572 6.1572 8.7830 8.7830 9.3472 9.3472 12.0525 12.0525 12.6826 12.6826 13.7022 13.7023 k = 0.5000 0.5000 0.2262 ( 1884 PWs) bands (ev): -31.7443 -31.7443 -13.0575 -13.0575 -12.7052 -12.7052 -12.6524 -12.6524 1.4419 1.4419 1.4537 1.4537 3.0671 3.0671 3.2548 3.2548 3.5171 3.5171 6.2026 6.2026 8.7748 8.7748 9.3373 9.3373 12.1329 12.1329 12.4969 12.4969 13.7424 13.7424 k = 0.5000 0.5000 0.2381 ( 1876 PWs) bands (ev): -31.7440 -31.7440 -13.0583 -13.0583 -12.7047 -12.7047 -12.6555 -12.6555 1.4451 1.4451 1.4552 1.4552 3.0652 3.0652 3.2717 3.2717 3.5174 3.5174 6.2512 6.2512 8.7664 8.7664 9.3272 9.3272 12.2172 12.2172 12.3102 12.3102 13.7846 13.7846 k = 0.5000 0.5000 0.2500 ( 1876 PWs) bands (ev): -31.7437 -31.7437 -13.0591 -13.0591 -12.7043 -12.7043 -12.6586 -12.6586 1.4482 1.4482 1.4568 1.4568 3.0631 3.0631 3.2889 3.2889 3.5177 3.5177 6.3030 6.3030 8.7577 8.7577 9.3170 9.3170 12.1232 12.1232 12.3054 12.3054 13.8288 13.8288 k = 0.5000 0.5000 0.2619 ( 1876 PWs) bands (ev): -31.7434 -31.7434 -13.0599 -13.0599 -12.7038 -12.7038 -12.6618 -12.6618 1.4512 1.4512 1.4582 1.4582 3.0611 3.0611 3.3063 3.3063 3.5180 3.5180 6.3582 6.3582 8.7488 8.7488 9.3068 9.3068 11.9364 11.9364 12.3973 12.3973 13.8748 13.8748 k = 0.5000 0.5000 0.2738 ( 1876 PWs) bands (ev): -31.7431 -31.7431 -13.0608 -13.0608 -12.7034 -12.7034 -12.6648 -12.6648 1.4539 1.4539 1.4597 1.4597 3.0590 3.0590 3.3236 3.3236 3.5184 3.5184 6.4168 6.4168 8.7398 8.7398 9.2965 9.2965 11.7501 11.7501 12.4928 12.4928 13.9224 13.9224 k = 0.5000 0.5000 0.2857 ( 1880 PWs) bands (ev): -31.7429 -31.7429 -13.0617 -13.0617 -12.7030 -12.7030 -12.6679 -12.6679 1.4565 1.4565 1.4611 1.4611 3.0570 3.0570 3.3409 3.3409 3.5189 3.5189 6.4789 6.4789 8.7305 8.7305 9.2862 9.2862 11.5648 11.5648 12.5918 12.5918 13.9715 13.9715 k = 0.5000 0.5000 0.2976 ( 1880 PWs) bands (ev): -31.7426 -31.7426 -13.0625 -13.0625 -12.7026 -12.7026 -12.6709 -12.6709 1.4588 1.4588 1.4625 1.4625 3.0549 3.0549 3.3580 3.3580 3.5194 3.5194 6.5445 6.5445 8.7212 8.7212 9.2761 9.2761 11.3809 11.3809 12.6942 12.6942 14.0220 14.0220 k = 0.5000 0.5000 0.3095 ( 1880 PWs) bands (ev): -31.7423 -31.7423 -13.0634 -13.0634 -12.7022 -12.7022 -12.6737 -12.6737 1.4610 1.4610 1.4638 1.4638 3.0529 3.0529 3.3747 3.3747 3.5200 3.5200 6.6136 6.6136 8.7116 8.7116 9.2662 9.2662 11.1988 11.1988 12.7999 12.7999 14.0737 14.0737 k = 0.5000 0.5000 0.3214 ( 1880 PWs) bands (ev): -31.7420 -31.7420 -13.0643 -13.0643 -12.7017 -12.7017 -12.6765 -12.6765 1.4629 1.4629 1.4650 1.4650 3.0509 3.0509 3.3911 3.3911 3.5206 3.5206 6.6863 6.6863 8.7020 8.7020 9.2565 9.2565 11.0189 11.0189 12.9087 12.9087 14.1261 14.1262 k = 0.5000 0.5000 0.3333 ( 1880 PWs) bands (ev): -31.7418 -31.7418 -13.0651 -13.0651 -12.7014 -12.7014 -12.6791 -12.6791 1.4647 1.4647 1.4662 1.4662 3.0489 3.0489 3.4069 3.4069 3.5212 3.5212 6.7625 6.7625 8.6921 8.6921 9.2470 9.2470 10.8416 10.8416 13.0204 13.0204 14.1793 14.1793 k = 0.5000 0.5000 0.3452 ( 1888 PWs) bands (ev): -31.7415 -31.7415 -13.0660 -13.0660 -12.7010 -12.7010 -12.6817 -12.6817 1.4663 1.4663 1.4673 1.4673 3.0471 3.0471 3.4220 3.4220 3.5218 3.5218 6.8422 6.8422 8.6820 8.6820 9.2380 9.2380 10.6674 10.6674 13.1348 13.1348 14.2327 14.2327 k = 0.5000 0.5000 0.3571 ( 1880 PWs) bands (ev): -31.7413 -31.7413 -13.0667 -13.0667 -12.7006 -12.7006 -12.6840 -12.6840 1.4677 1.4677 1.4684 1.4684 3.0453 3.0453 3.4365 3.4365 3.5224 3.5224 6.9253 6.9253 8.6716 8.6716 9.2294 9.2294 10.4967 10.4967 13.2518 13.2518 14.2860 14.2860 k = 0.5000 0.5000 0.3690 ( 1880 PWs) bands (ev): -31.7410 -31.7410 -13.0675 -13.0675 -12.7003 -12.7003 -12.6862 -12.6862 1.4689 1.4689 1.4693 1.4693 3.0436 3.0436 3.4501 3.4501 3.5231 3.5231 7.0116 7.0116 8.6607 8.6607 9.2212 9.2212 10.3302 10.3302 13.3711 13.3711 14.3387 14.3387 k = 0.5000 0.5000 0.3810 ( 1880 PWs) bands (ev): -31.7408 -31.7408 -13.0682 -13.0682 -12.7000 -12.7000 -12.6883 -12.6883 1.4700 1.4700 1.4702 1.4702 3.0420 3.0420 3.4629 3.4629 3.5237 3.5237 7.1010 7.1010 8.6490 8.6490 9.2135 9.2135 10.1684 10.1684 13.4923 13.4923 14.3905 14.3905 k = 0.5000 0.5000 0.3929 ( 1880 PWs) bands (ev): -31.7406 -31.7406 -13.0689 -13.0689 -12.6997 -12.6997 -12.6901 -12.6901 1.4709 1.4709 1.4710 1.4710 3.0405 3.0405 3.4746 3.4746 3.5242 3.5242 7.1931 7.1931 8.6363 8.6363 9.2065 9.2065 10.0123 10.0123 13.6153 13.6153 14.4406 14.4406 k = 0.5000 0.5000 0.4048 ( 1880 PWs) bands (ev): -31.7405 -31.7405 -13.0695 -13.0695 -12.6994 -12.6994 -12.6918 -12.6918 1.4717 1.4717 1.4717 1.4717 3.0391 3.0391 3.4853 3.4853 3.5248 3.5248 7.2875 7.2875 8.6221 8.6221 9.2000 9.2000 9.8630 9.8630 13.7395 13.7395 14.4885 14.4885 k = 0.5000 0.5000 0.4167 ( 1880 PWs) bands (ev): -31.7403 -31.7403 -13.0701 -13.0701 -12.6992 -12.6992 -12.6934 -12.6934 1.4724 1.4724 1.4724 1.4724 3.0379 3.0379 3.4949 3.4949 3.5253 3.5253 7.3836 7.3836 8.6058 8.6058 9.1942 9.1942 9.7219 9.7219 13.8646 13.8646 14.5335 14.5335 k = 0.5000 0.5000 0.4286 ( 1880 PWs) bands (ev): -31.7402 -31.7402 -13.0706 -13.0706 -12.6990 -12.6990 -12.6947 -12.6947 1.4729 1.4729 1.4730 1.4730 3.0368 3.0368 3.5033 3.5033 3.5257 3.5257 7.4804 7.4804 8.5863 8.5863 9.1891 9.1891 9.5909 9.5909 13.9901 13.9901 14.5748 14.5748 k = 0.5000 0.5000 0.4405 ( 1880 PWs) bands (ev): -31.7400 -31.7400 -13.0710 -13.0710 -12.6988 -12.6988 -12.6958 -12.6958 1.4734 1.4734 1.4735 1.4735 3.0359 3.0359 3.5105 3.5105 3.5261 3.5261 7.5766 7.5766 8.5629 8.5629 9.1847 9.1847 9.4726 9.4726 14.1154 14.1154 14.6117 14.6117 k = 0.5000 0.5000 0.4524 ( 1880 PWs) bands (ev): -31.7399 -31.7399 -13.0714 -13.0714 -12.6987 -12.6987 -12.6967 -12.6967 1.4738 1.4738 1.4738 1.4738 3.0351 3.0351 3.5164 3.5164 3.5265 3.5265 7.6700 7.6700 8.5348 8.5348 9.1811 9.1811 9.3700 9.3700 14.2398 14.2398 14.6433 14.6433 k = 0.5000 0.5000 0.4643 ( 1888 PWs) bands (ev): -31.7399 -31.7399 -13.0717 -13.0717 -12.6986 -12.6986 -12.6975 -12.6975 1.4741 1.4741 1.4741 1.4741 3.0345 3.0345 3.5211 3.5211 3.5267 3.5267 7.7571 7.7571 8.5021 8.5021 9.1783 9.1783 9.2864 9.2864 14.3624 14.3624 14.6689 14.6689 k = 0.5000 0.5000 0.4762 ( 1888 PWs) bands (ev): -31.7398 -31.7398 -13.0719 -13.0719 -12.6985 -12.6985 -12.6980 -12.6980 1.4743 1.4743 1.4743 1.4743 3.0341 3.0341 3.5244 3.5244 3.5269 3.5269 7.8320 7.8320 8.4680 8.4680 9.1763 9.1763 9.2248 9.2248 14.4822 14.4822 14.6877 14.6878 k = 0.5000 0.5000 0.4881 ( 1896 PWs) bands (ev): -31.7398 -31.7398 -13.0721 -13.0721 -12.6985 -12.6985 -12.6983 -12.6983 1.4744 1.4744 1.4744 1.4744 3.0338 3.0338 3.5264 3.5264 3.5270 3.5270 7.8851 7.8851 8.4399 8.4399 9.1750 9.1750 9.1872 9.1872 14.5970 14.5970 14.6980 14.6991 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -31.7398 -31.7398 -13.0722 -13.0722 -12.6985 -12.6985 -12.6985 -12.6985 1.4744 1.4744 1.4744 1.4744 3.0337 3.0337 3.5271 3.5271 3.5271 3.5271 7.9048 7.9048 8.4285 8.4285 9.1746 9.1746 9.1746 9.1746 14.7008 14.7032 14.7032 14.7032 Writing output data file CaHg.save init_run : 0.22s CPU 0.43s WALL ( 1 calls) electrons : 80.35s CPU 83.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 80.35s CPU 83.46s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 325 calls) cegterg : 77.30s CPU 78.99s WALL ( 759 calls) Called by sum_band: Called by *egterg: h_psi : 28.60s CPU 29.53s WALL ( 13303 calls) s_psi : 1.62s CPU 1.69s WALL ( 13303 calls) g_psi : 0.11s CPU 0.10s WALL ( 12219 calls) cdiaghg : 42.37s CPU 43.12s WALL ( 12544 calls) cegterg:over : 2.45s CPU 2.56s WALL ( 12219 calls) cegterg:upda : 1.90s CPU 1.90s WALL ( 12219 calls) cegterg:last : 1.02s CPU 1.04s WALL ( 2080 calls) cdiaghg:chol : 2.13s CPU 2.12s WALL ( 12544 calls) cdiaghg:inve : 0.80s CPU 0.93s WALL ( 12544 calls) cdiaghg:para : 2.74s CPU 2.56s WALL ( 25088 calls) Called by h_psi: h_psi:vloc : 24.85s CPU 25.67s WALL ( 13303 calls) h_psi:vnl : 3.69s CPU 3.79s WALL ( 13303 calls) add_vuspsi : 2.14s CPU 2.14s WALL ( 13303 calls) General routines calbec : 1.53s CPU 1.62s WALL ( 13303 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.44s CPU 23.31s WALL ( 701912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.51s WALL ( 650 calls) Parallel routines fft_scatter : 14.24s CPU 14.85s WALL ( 701935 calls) PWSCF : 1m28.13s CPU 1m48.37s WALL This run was terminated on: 16:42: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=