Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:39:46 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: ./CaFeO2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 38 22 6 934 408 68 Max 39 23 7 937 419 73 Sum 1389 805 241 33673 14919 2575 bravais-lattice index = 14 lattice parameter (alat) = 7.3525 a.u. unit-cell volume = 342.6714 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.352527 celldm(2)= 1.000000 celldm(3)= 0.862121 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 0.862121 ) 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 1.159931 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Ca 10.00 40.07800 Ca( 1.00) 16 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 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 430 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0023256 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0023256 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0023256 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0023256 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0023256 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0023256 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0023256 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0023256 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0023256 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0023256 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0023256 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0023256 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0023256 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0023256 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0023256 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0023256 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0023256 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0023256 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0023256 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0023256 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0023256 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0023256 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0023256 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0023256 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0023256 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0023256 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0023256 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0023256 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0023256 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0023256 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0023256 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0023256 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0023256 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0023256 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0023256 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0023256 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0023256 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0023256 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0023256 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0023256 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0023256 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0023256 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0023256 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0023256 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0023256 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0023256 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0023256 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0023256 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0023256 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0023256 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0023256 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0023256 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0023256 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0023256 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0023256 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0023256 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0023256 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0023256 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0023256 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0023256 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0023256 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0023256 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0023256 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0023256 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0023256 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0023256 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0023256 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0023256 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0023256 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0023256 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0023256 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0023256 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0023256 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0023256 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0023256 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0023256 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0023256 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0023256 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0023256 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0023256 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023256 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023256 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0023256 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0023256 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0023256 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0023256 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0023256 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0023256 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0023256 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0023256 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0023256 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0023256 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0023256 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0023256 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0023256 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0023256 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0023256 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0023256 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0023256 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0023256 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0023256 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0023256 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0023256 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0023256 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0023256 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0023256 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0023256 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0023256 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0023256 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0023256 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023256 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0023256 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0023256 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0023256 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0023256 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0023256 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0023256 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0023256 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0023256 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0023256 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0023256 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0023256 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0023256 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0023256 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0023256 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0023256 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0023256 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0023256 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0023256 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0023256 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0023256 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0023256 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0023256 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0023256 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0023256 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0023256 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0023256 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0023256 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0023256 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 145) = ( 0.0000000 0.0000000 0.0123397), wk = 0.0023256 k( 146) = ( 0.0000000 0.0000000 0.0246794), wk = 0.0023256 k( 147) = ( 0.0000000 0.0000000 0.0370191), wk = 0.0023256 k( 148) = ( 0.0000000 0.0000000 0.0493587), wk = 0.0023256 k( 149) = ( 0.0000000 0.0000000 0.0616984), wk = 0.0023256 k( 150) = ( 0.0000000 0.0000000 0.0740381), wk = 0.0023256 k( 151) = ( 0.0000000 0.0000000 0.0863778), wk = 0.0023256 k( 152) = ( 0.0000000 0.0000000 0.0987175), wk = 0.0023256 k( 153) = ( 0.0000000 0.0000000 0.1110572), wk = 0.0023256 k( 154) = ( 0.0000000 0.0000000 0.1233969), wk = 0.0023256 k( 155) = ( 0.0000000 0.0000000 0.1357366), wk = 0.0023256 k( 156) = ( 0.0000000 0.0000000 0.1480762), wk = 0.0023256 k( 157) = ( 0.0000000 0.0000000 0.1604159), wk = 0.0023256 k( 158) = ( 0.0000000 0.0000000 0.1727556), wk = 0.0023256 k( 159) = ( 0.0000000 0.0000000 0.1850953), wk = 0.0023256 k( 160) = ( 0.0000000 0.0000000 0.1974350), wk = 0.0023256 k( 161) = ( 0.0000000 0.0000000 0.2097747), wk = 0.0023256 k( 162) = ( 0.0000000 0.0000000 0.2221144), wk = 0.0023256 k( 163) = ( 0.0000000 0.0000000 0.2344541), wk = 0.0023256 k( 164) = ( 0.0000000 0.0000000 0.2467937), wk = 0.0023256 k( 165) = ( 0.0000000 0.0000000 0.2591334), wk = 0.0023256 k( 166) = ( 0.0000000 0.0000000 0.2714731), wk = 0.0023256 k( 167) = ( 0.0000000 0.0000000 0.2838128), wk = 0.0023256 k( 168) = ( 0.0000000 0.0000000 0.2961525), wk = 0.0023256 k( 169) = ( 0.0000000 0.0000000 0.3084922), wk = 0.0023256 k( 170) = ( 0.0000000 0.0000000 0.3208319), wk = 0.0023256 k( 171) = ( 0.0000000 0.0000000 0.3331716), wk = 0.0023256 k( 172) = ( 0.0000000 0.0000000 0.3455112), wk = 0.0023256 k( 173) = ( 0.0000000 0.0000000 0.3578509), wk = 0.0023256 k( 174) = ( 0.0000000 0.0000000 0.3701906), wk = 0.0023256 k( 175) = ( 0.0000000 0.0000000 0.3825303), wk = 0.0023256 k( 176) = ( 0.0000000 0.0000000 0.3948700), wk = 0.0023256 k( 177) = ( 0.0000000 0.0000000 0.4072097), wk = 0.0023256 k( 178) = ( 0.0000000 0.0000000 0.4195494), wk = 0.0023256 k( 179) = ( 0.0000000 0.0000000 0.4318891), wk = 0.0023256 k( 180) = ( 0.0000000 0.0000000 0.4442287), wk = 0.0023256 k( 181) = ( 0.0000000 0.0000000 0.4565684), wk = 0.0023256 k( 182) = ( 0.0000000 0.0000000 0.4689081), wk = 0.0023256 k( 183) = ( 0.0000000 0.0000000 0.4812478), wk = 0.0023256 k( 184) = ( 0.0000000 0.0000000 0.4935875), wk = 0.0023256 k( 185) = ( 0.0000000 0.0000000 0.5059272), wk = 0.0023256 k( 186) = ( 0.0000000 0.0000000 0.5182669), wk = 0.0023256 k( 187) = ( 0.0000000 0.0000000 0.5306066), wk = 0.0023256 k( 188) = ( 0.0000000 0.0000000 0.5429462), wk = 0.0023256 k( 189) = ( 0.0000000 0.0000000 0.5552859), wk = 0.0023256 k( 190) = ( 0.0000000 0.0000000 0.5676256), wk = 0.0023256 k( 191) = ( 0.0000000 0.0000000 0.5799653), wk = 0.0023256 k( 192) = ( 0.0000000 0.0000000 0.5799653), wk = 0.0023256 k( 193) = ( 0.0000000 0.0121951 0.5799653), wk = 0.0023256 k( 194) = ( 0.0000000 0.0243902 0.5799653), wk = 0.0023256 k( 195) = ( 0.0000000 0.0365854 0.5799653), wk = 0.0023256 k( 196) = ( 0.0000000 0.0487805 0.5799653), wk = 0.0023256 k( 197) = ( 0.0000000 0.0609756 0.5799653), wk = 0.0023256 k( 198) = ( 0.0000000 0.0731707 0.5799653), wk = 0.0023256 k( 199) = ( 0.0000000 0.0853658 0.5799653), wk = 0.0023256 k( 200) = ( 0.0000000 0.0975610 0.5799653), wk = 0.0023256 k( 201) = ( 0.0000000 0.1097561 0.5799653), wk = 0.0023256 k( 202) = ( 0.0000000 0.1219512 0.5799653), wk = 0.0023256 k( 203) = ( 0.0000000 0.1341463 0.5799653), wk = 0.0023256 k( 204) = ( 0.0000000 0.1463415 0.5799653), wk = 0.0023256 k( 205) = ( 0.0000000 0.1585366 0.5799653), wk = 0.0023256 k( 206) = ( 0.0000000 0.1707317 0.5799653), wk = 0.0023256 k( 207) = ( 0.0000000 0.1829268 0.5799653), wk = 0.0023256 k( 208) = ( 0.0000000 0.1951219 0.5799653), wk = 0.0023256 k( 209) = ( 0.0000000 0.2073171 0.5799653), wk = 0.0023256 k( 210) = ( 0.0000000 0.2195122 0.5799653), wk = 0.0023256 k( 211) = ( 0.0000000 0.2317073 0.5799653), wk = 0.0023256 k( 212) = ( 0.0000000 0.2439024 0.5799653), wk = 0.0023256 k( 213) = ( 0.0000000 0.2560976 0.5799653), wk = 0.0023256 k( 214) = ( 0.0000000 0.2682927 0.5799653), wk = 0.0023256 k( 215) = ( 0.0000000 0.2804878 0.5799653), wk = 0.0023256 k( 216) = ( 0.0000000 0.2926829 0.5799653), wk = 0.0023256 k( 217) = ( 0.0000000 0.3048781 0.5799653), wk = 0.0023256 k( 218) = ( 0.0000000 0.3170732 0.5799653), wk = 0.0023256 k( 219) = ( 0.0000000 0.3292683 0.5799653), wk = 0.0023256 k( 220) = ( 0.0000000 0.3414634 0.5799653), wk = 0.0023256 k( 221) = ( 0.0000000 0.3536585 0.5799653), wk = 0.0023256 k( 222) = ( 0.0000000 0.3658537 0.5799653), wk = 0.0023256 k( 223) = ( 0.0000000 0.3780488 0.5799653), wk = 0.0023256 k( 224) = ( 0.0000000 0.3902439 0.5799653), wk = 0.0023256 k( 225) = ( 0.0000000 0.4024390 0.5799653), wk = 0.0023256 k( 226) = ( 0.0000000 0.4146341 0.5799653), wk = 0.0023256 k( 227) = ( 0.0000000 0.4268293 0.5799653), wk = 0.0023256 k( 228) = ( 0.0000000 0.4390244 0.5799653), wk = 0.0023256 k( 229) = ( 0.0000000 0.4512195 0.5799653), wk = 0.0023256 k( 230) = ( 0.0000000 0.4634146 0.5799653), wk = 0.0023256 k( 231) = ( 0.0000000 0.4756098 0.5799653), wk = 0.0023256 k( 232) = ( 0.0000000 0.4878049 0.5799653), wk = 0.0023256 k( 233) = ( 0.0000000 0.5000000 0.5799653), wk = 0.0023256 k( 234) = ( 0.0000000 0.5000000 0.5799653), wk = 0.0023256 k( 235) = ( 0.0121951 0.5000000 0.5799653), wk = 0.0023256 k( 236) = ( 0.0243902 0.5000000 0.5799653), wk = 0.0023256 k( 237) = ( 0.0365854 0.5000000 0.5799653), wk = 0.0023256 k( 238) = ( 0.0487805 0.5000000 0.5799653), wk = 0.0023256 k( 239) = ( 0.0609756 0.5000000 0.5799653), wk = 0.0023256 k( 240) = ( 0.0731707 0.5000000 0.5799653), wk = 0.0023256 k( 241) = ( 0.0853658 0.5000000 0.5799653), wk = 0.0023256 k( 242) = ( 0.0975610 0.5000000 0.5799653), wk = 0.0023256 k( 243) = ( 0.1097561 0.5000000 0.5799653), wk = 0.0023256 k( 244) = ( 0.1219512 0.5000000 0.5799653), wk = 0.0023256 k( 245) = ( 0.1341463 0.5000000 0.5799653), wk = 0.0023256 k( 246) = ( 0.1463415 0.5000000 0.5799653), wk = 0.0023256 k( 247) = ( 0.1585366 0.5000000 0.5799653), wk = 0.0023256 k( 248) = ( 0.1707317 0.5000000 0.5799653), wk = 0.0023256 k( 249) = ( 0.1829268 0.5000000 0.5799653), wk = 0.0023256 k( 250) = ( 0.1951219 0.5000000 0.5799653), wk = 0.0023256 k( 251) = ( 0.2073171 0.5000000 0.5799653), wk = 0.0023256 k( 252) = ( 0.2195122 0.5000000 0.5799653), wk = 0.0023256 k( 253) = ( 0.2317073 0.5000000 0.5799653), wk = 0.0023256 k( 254) = ( 0.2439024 0.5000000 0.5799653), wk = 0.0023256 k( 255) = ( 0.2560976 0.5000000 0.5799653), wk = 0.0023256 k( 256) = ( 0.2682927 0.5000000 0.5799653), wk = 0.0023256 k( 257) = ( 0.2804878 0.5000000 0.5799653), wk = 0.0023256 k( 258) = ( 0.2926829 0.5000000 0.5799653), wk = 0.0023256 k( 259) = ( 0.3048781 0.5000000 0.5799653), wk = 0.0023256 k( 260) = ( 0.3170732 0.5000000 0.5799653), wk = 0.0023256 k( 261) = ( 0.3292683 0.5000000 0.5799653), wk = 0.0023256 k( 262) = ( 0.3414634 0.5000000 0.5799653), wk = 0.0023256 k( 263) = ( 0.3536585 0.5000000 0.5799653), wk = 0.0023256 k( 264) = ( 0.3658537 0.5000000 0.5799653), wk = 0.0023256 k( 265) = ( 0.3780488 0.5000000 0.5799653), wk = 0.0023256 k( 266) = ( 0.3902439 0.5000000 0.5799653), wk = 0.0023256 k( 267) = ( 0.4024390 0.5000000 0.5799653), wk = 0.0023256 k( 268) = ( 0.4146341 0.5000000 0.5799653), wk = 0.0023256 k( 269) = ( 0.4268293 0.5000000 0.5799653), wk = 0.0023256 k( 270) = ( 0.4390244 0.5000000 0.5799653), wk = 0.0023256 k( 271) = ( 0.4512195 0.5000000 0.5799653), wk = 0.0023256 k( 272) = ( 0.4634146 0.5000000 0.5799653), wk = 0.0023256 k( 273) = ( 0.4756098 0.5000000 0.5799653), wk = 0.0023256 k( 274) = ( 0.4878049 0.5000000 0.5799653), wk = 0.0023256 k( 275) = ( 0.5000000 0.5000000 0.5799653), wk = 0.0023256 k( 276) = ( 0.5000000 0.5000000 0.5799653), wk = 0.0023256 k( 277) = ( 0.4913793 0.4913793 0.5799653), wk = 0.0023256 k( 278) = ( 0.4827586 0.4827586 0.5799653), wk = 0.0023256 k( 279) = ( 0.4741379 0.4741379 0.5799653), wk = 0.0023256 k( 280) = ( 0.4655172 0.4655172 0.5799653), wk = 0.0023256 k( 281) = ( 0.4568966 0.4568965 0.5799653), wk = 0.0023256 k( 282) = ( 0.4482759 0.4482759 0.5799653), wk = 0.0023256 k( 283) = ( 0.4396552 0.4396552 0.5799653), wk = 0.0023256 k( 284) = ( 0.4310345 0.4310345 0.5799653), wk = 0.0023256 k( 285) = ( 0.4224138 0.4224138 0.5799653), wk = 0.0023256 k( 286) = ( 0.4137931 0.4137931 0.5799653), wk = 0.0023256 k( 287) = ( 0.4051724 0.4051724 0.5799653), wk = 0.0023256 k( 288) = ( 0.3965517 0.3965517 0.5799653), wk = 0.0023256 k( 289) = ( 0.3879310 0.3879310 0.5799653), wk = 0.0023256 k( 290) = ( 0.3793103 0.3793103 0.5799653), wk = 0.0023256 k( 291) = ( 0.3706897 0.3706897 0.5799653), wk = 0.0023256 k( 292) = ( 0.3620690 0.3620690 0.5799653), wk = 0.0023256 k( 293) = ( 0.3534483 0.3534483 0.5799653), wk = 0.0023256 k( 294) = ( 0.3448276 0.3448276 0.5799653), wk = 0.0023256 k( 295) = ( 0.3362069 0.3362069 0.5799653), wk = 0.0023256 k( 296) = ( 0.3275862 0.3275862 0.5799653), wk = 0.0023256 k( 297) = ( 0.3189655 0.3189655 0.5799653), wk = 0.0023256 k( 298) = ( 0.3103448 0.3103448 0.5799653), wk = 0.0023256 k( 299) = ( 0.3017241 0.3017241 0.5799653), wk = 0.0023256 k( 300) = ( 0.2931034 0.2931034 0.5799653), wk = 0.0023256 k( 301) = ( 0.2844828 0.2844828 0.5799653), wk = 0.0023256 k( 302) = ( 0.2758621 0.2758621 0.5799653), wk = 0.0023256 k( 303) = ( 0.2672414 0.2672414 0.5799653), wk = 0.0023256 k( 304) = ( 0.2586207 0.2586207 0.5799653), wk = 0.0023256 k( 305) = ( 0.2500000 0.2500000 0.5799653), wk = 0.0023256 k( 306) = ( 0.2413793 0.2413793 0.5799653), wk = 0.0023256 k( 307) = ( 0.2327586 0.2327586 0.5799653), wk = 0.0023256 k( 308) = ( 0.2241379 0.2241379 0.5799653), wk = 0.0023256 k( 309) = ( 0.2155172 0.2155172 0.5799653), wk = 0.0023256 k( 310) = ( 0.2068966 0.2068965 0.5799653), wk = 0.0023256 k( 311) = ( 0.1982759 0.1982759 0.5799653), wk = 0.0023256 k( 312) = ( 0.1896552 0.1896552 0.5799653), wk = 0.0023256 k( 313) = ( 0.1810345 0.1810345 0.5799653), wk = 0.0023256 k( 314) = ( 0.1724138 0.1724138 0.5799653), wk = 0.0023256 k( 315) = ( 0.1637931 0.1637931 0.5799653), wk = 0.0023256 k( 316) = ( 0.1551724 0.1551724 0.5799653), wk = 0.0023256 k( 317) = ( 0.1465517 0.1465517 0.5799653), wk = 0.0023256 k( 318) = ( 0.1379310 0.1379310 0.5799653), wk = 0.0023256 k( 319) = ( 0.1293103 0.1293103 0.5799653), wk = 0.0023256 k( 320) = ( 0.1206897 0.1206897 0.5799653), wk = 0.0023256 k( 321) = ( 0.1120690 0.1120690 0.5799653), wk = 0.0023256 k( 322) = ( 0.1034483 0.1034483 0.5799653), wk = 0.0023256 k( 323) = ( 0.0948276 0.0948276 0.5799653), wk = 0.0023256 k( 324) = ( 0.0862069 0.0862069 0.5799653), wk = 0.0023256 k( 325) = ( 0.0775862 0.0775862 0.5799653), wk = 0.0023256 k( 326) = ( 0.0689655 0.0689655 0.5799653), wk = 0.0023256 k( 327) = ( 0.0603448 0.0603448 0.5799653), wk = 0.0023256 k( 328) = ( 0.0517241 0.0517241 0.5799653), wk = 0.0023256 k( 329) = ( 0.0431035 0.0431034 0.5799653), wk = 0.0023256 k( 330) = ( 0.0344828 0.0344828 0.5799653), wk = 0.0023256 k( 331) = ( 0.0258621 0.0258621 0.5799653), wk = 0.0023256 k( 332) = ( 0.0172414 0.0172414 0.5799653), wk = 0.0023256 k( 333) = ( 0.0086207 0.0086207 0.5799653), wk = 0.0023256 k( 334) = ( 0.0000000 0.0000000 0.5799653), wk = 0.0023256 k( 335) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 336) = ( 0.0000000 0.5000000 0.0123397), wk = 0.0023256 k( 337) = ( 0.0000000 0.5000000 0.0246794), wk = 0.0023256 k( 338) = ( 0.0000000 0.5000000 0.0370191), wk = 0.0023256 k( 339) = ( 0.0000000 0.5000000 0.0493587), wk = 0.0023256 k( 340) = ( 0.0000000 0.5000000 0.0616984), wk = 0.0023256 k( 341) = ( 0.0000000 0.5000000 0.0740381), wk = 0.0023256 k( 342) = ( 0.0000000 0.5000000 0.0863778), wk = 0.0023256 k( 343) = ( 0.0000000 0.5000000 0.0987175), wk = 0.0023256 k( 344) = ( 0.0000000 0.5000000 0.1110572), wk = 0.0023256 k( 345) = ( 0.0000000 0.5000000 0.1233969), wk = 0.0023256 k( 346) = ( 0.0000000 0.5000000 0.1357366), wk = 0.0023256 k( 347) = ( 0.0000000 0.5000000 0.1480762), wk = 0.0023256 k( 348) = ( 0.0000000 0.5000000 0.1604159), wk = 0.0023256 k( 349) = ( 0.0000000 0.5000000 0.1727556), wk = 0.0023256 k( 350) = ( 0.0000000 0.5000000 0.1850953), wk = 0.0023256 k( 351) = ( 0.0000000 0.5000000 0.1974350), wk = 0.0023256 k( 352) = ( 0.0000000 0.5000000 0.2097747), wk = 0.0023256 k( 353) = ( 0.0000000 0.5000000 0.2221144), wk = 0.0023256 k( 354) = ( 0.0000000 0.5000000 0.2344541), wk = 0.0023256 k( 355) = ( 0.0000000 0.5000000 0.2467937), wk = 0.0023256 k( 356) = ( 0.0000000 0.5000000 0.2591334), wk = 0.0023256 k( 357) = ( 0.0000000 0.5000000 0.2714731), wk = 0.0023256 k( 358) = ( 0.0000000 0.5000000 0.2838128), wk = 0.0023256 k( 359) = ( 0.0000000 0.5000000 0.2961525), wk = 0.0023256 k( 360) = ( 0.0000000 0.5000000 0.3084922), wk = 0.0023256 k( 361) = ( 0.0000000 0.5000000 0.3208319), wk = 0.0023256 k( 362) = ( 0.0000000 0.5000000 0.3331716), wk = 0.0023256 k( 363) = ( 0.0000000 0.5000000 0.3455112), wk = 0.0023256 k( 364) = ( 0.0000000 0.5000000 0.3578509), wk = 0.0023256 k( 365) = ( 0.0000000 0.5000000 0.3701906), wk = 0.0023256 k( 366) = ( 0.0000000 0.5000000 0.3825303), wk = 0.0023256 k( 367) = ( 0.0000000 0.5000000 0.3948700), wk = 0.0023256 k( 368) = ( 0.0000000 0.5000000 0.4072097), wk = 0.0023256 k( 369) = ( 0.0000000 0.5000000 0.4195494), wk = 0.0023256 k( 370) = ( 0.0000000 0.5000000 0.4318891), wk = 0.0023256 k( 371) = ( 0.0000000 0.5000000 0.4442287), wk = 0.0023256 k( 372) = ( 0.0000000 0.5000000 0.4565684), wk = 0.0023256 k( 373) = ( 0.0000000 0.5000000 0.4689081), wk = 0.0023256 k( 374) = ( 0.0000000 0.5000000 0.4812478), wk = 0.0023256 k( 375) = ( 0.0000000 0.5000000 0.4935875), wk = 0.0023256 k( 376) = ( 0.0000000 0.5000000 0.5059272), wk = 0.0023256 k( 377) = ( 0.0000000 0.5000000 0.5182669), wk = 0.0023256 k( 378) = ( 0.0000000 0.5000000 0.5306066), wk = 0.0023256 k( 379) = ( 0.0000000 0.5000000 0.5429462), wk = 0.0023256 k( 380) = ( 0.0000000 0.5000000 0.5552859), wk = 0.0023256 k( 381) = ( 0.0000000 0.5000000 0.5676256), wk = 0.0023256 k( 382) = ( 0.0000000 0.5000000 0.5799653), wk = 0.0023256 k( 383) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023256 k( 384) = ( 0.5000000 0.5000000 0.0123397), wk = 0.0023256 k( 385) = ( 0.5000000 0.5000000 0.0246794), wk = 0.0023256 k( 386) = ( 0.5000000 0.5000000 0.0370191), wk = 0.0023256 k( 387) = ( 0.5000000 0.5000000 0.0493587), wk = 0.0023256 k( 388) = ( 0.5000000 0.5000000 0.0616984), wk = 0.0023256 k( 389) = ( 0.5000000 0.5000000 0.0740381), wk = 0.0023256 k( 390) = ( 0.5000000 0.5000000 0.0863778), wk = 0.0023256 k( 391) = ( 0.5000000 0.5000000 0.0987175), wk = 0.0023256 k( 392) = ( 0.5000000 0.5000000 0.1110572), wk = 0.0023256 k( 393) = ( 0.5000000 0.5000000 0.1233969), wk = 0.0023256 k( 394) = ( 0.5000000 0.5000000 0.1357366), wk = 0.0023256 k( 395) = ( 0.5000000 0.5000000 0.1480762), wk = 0.0023256 k( 396) = ( 0.5000000 0.5000000 0.1604159), wk = 0.0023256 k( 397) = ( 0.5000000 0.5000000 0.1727556), wk = 0.0023256 k( 398) = ( 0.5000000 0.5000000 0.1850953), wk = 0.0023256 k( 399) = ( 0.5000000 0.5000000 0.1974350), wk = 0.0023256 k( 400) = ( 0.5000000 0.5000000 0.2097747), wk = 0.0023256 k( 401) = ( 0.5000000 0.5000000 0.2221144), wk = 0.0023256 k( 402) = ( 0.5000000 0.5000000 0.2344541), wk = 0.0023256 k( 403) = ( 0.5000000 0.5000000 0.2467937), wk = 0.0023256 k( 404) = ( 0.5000000 0.5000000 0.2591334), wk = 0.0023256 k( 405) = ( 0.5000000 0.5000000 0.2714731), wk = 0.0023256 k( 406) = ( 0.5000000 0.5000000 0.2838128), wk = 0.0023256 k( 407) = ( 0.5000000 0.5000000 0.2961525), wk = 0.0023256 k( 408) = ( 0.5000000 0.5000000 0.3084922), wk = 0.0023256 k( 409) = ( 0.5000000 0.5000000 0.3208319), wk = 0.0023256 k( 410) = ( 0.5000000 0.5000000 0.3331716), wk = 0.0023256 k( 411) = ( 0.5000000 0.5000000 0.3455112), wk = 0.0023256 k( 412) = ( 0.5000000 0.5000000 0.3578509), wk = 0.0023256 k( 413) = ( 0.5000000 0.5000000 0.3701906), wk = 0.0023256 k( 414) = ( 0.5000000 0.5000000 0.3825303), wk = 0.0023256 k( 415) = ( 0.5000000 0.5000000 0.3948700), wk = 0.0023256 k( 416) = ( 0.5000000 0.5000000 0.4072097), wk = 0.0023256 k( 417) = ( 0.5000000 0.5000000 0.4195494), wk = 0.0023256 k( 418) = ( 0.5000000 0.5000000 0.4318891), wk = 0.0023256 k( 419) = ( 0.5000000 0.5000000 0.4442287), wk = 0.0023256 k( 420) = ( 0.5000000 0.5000000 0.4565684), wk = 0.0023256 k( 421) = ( 0.5000000 0.5000000 0.4689081), wk = 0.0023256 k( 422) = ( 0.5000000 0.5000000 0.4812478), wk = 0.0023256 k( 423) = ( 0.5000000 0.5000000 0.4935875), wk = 0.0023256 k( 424) = ( 0.5000000 0.5000000 0.5059272), wk = 0.0023256 k( 425) = ( 0.5000000 0.5000000 0.5182669), wk = 0.0023256 k( 426) = ( 0.5000000 0.5000000 0.5306066), wk = 0.0023256 k( 427) = ( 0.5000000 0.5000000 0.5429462), wk = 0.0023256 k( 428) = ( 0.5000000 0.5000000 0.5552859), wk = 0.0023256 k( 429) = ( 0.5000000 0.5000000 0.5676256), wk = 0.0023256 k( 430) = ( 0.5000000 0.5000000 0.5799653), wk = 0.0023256 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0023256 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0023256 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0023256 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0023256 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0023256 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0023256 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0023256 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0023256 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0023256 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0023256 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0023256 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0023256 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0023256 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0023256 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0023256 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0023256 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0023256 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0023256 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0023256 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0023256 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0023256 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0023256 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0023256 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0023256 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0023256 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0023256 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0023256 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0023256 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0023256 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0023256 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0023256 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0023256 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0023256 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0023256 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0023256 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0023256 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0023256 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0023256 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0023256 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0023256 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0023256 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0023256 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0023256 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0023256 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0023256 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0023256 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0023256 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0023256 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0023256 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0023256 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0023256 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0023256 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0023256 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0023256 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0023256 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0023256 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0023256 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0023256 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0023256 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0023256 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0023256 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0023256 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0023256 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0023256 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0023256 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0023256 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0023256 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0023256 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0023256 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0023256 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0023256 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0023256 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0023256 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0023256 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0023256 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0023256 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0023256 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0023256 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0023256 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0023256 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023256 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023256 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0023256 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0023256 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0023256 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0023256 k( 90) = ( 0.4568966 0.4568966 -0.0000000), wk = 0.0023256 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0023256 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0023256 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0023256 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0023256 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0023256 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0023256 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0023256 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0023256 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0023256 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0023256 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0023256 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0023256 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0023256 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0023256 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0023256 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0023256 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0023256 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0023256 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0023256 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0023256 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0023256 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0023256 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0023256 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0023256 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0023256 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0023256 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0023256 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0023256 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0023256 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0023256 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0023256 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0023256 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0023256 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0023256 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0023256 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0023256 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0023256 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0023256 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0023256 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0023256 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0023256 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0023256 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0023256 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0023256 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0023256 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0023256 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0023256 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0023256 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0023256 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0023256 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0023256 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0023256 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023256 k( 145) = ( 0.0000000 0.0000000 0.0106383), wk = 0.0023256 k( 146) = ( 0.0000000 0.0000000 0.0212766), wk = 0.0023256 k( 147) = ( 0.0000000 0.0000000 0.0319149), wk = 0.0023256 k( 148) = ( 0.0000000 0.0000000 0.0425532), wk = 0.0023256 k( 149) = ( 0.0000000 0.0000000 0.0531915), wk = 0.0023256 k( 150) = ( 0.0000000 0.0000000 0.0638298), wk = 0.0023256 k( 151) = ( 0.0000000 0.0000000 0.0744681), wk = 0.0023256 k( 152) = ( 0.0000000 0.0000000 0.0851064), wk = 0.0023256 k( 153) = ( 0.0000000 0.0000000 0.0957447), wk = 0.0023256 k( 154) = ( 0.0000000 0.0000000 0.1063830), wk = 0.0023256 k( 155) = ( 0.0000000 0.0000000 0.1170213), wk = 0.0023256 k( 156) = ( 0.0000000 0.0000000 0.1276596), wk = 0.0023256 k( 157) = ( 0.0000000 0.0000000 0.1382979), wk = 0.0023256 k( 158) = ( 0.0000000 0.0000000 0.1489362), wk = 0.0023256 k( 159) = ( 0.0000000 0.0000000 0.1595745), wk = 0.0023256 k( 160) = ( 0.0000000 0.0000000 0.1702128), wk = 0.0023256 k( 161) = ( 0.0000000 0.0000000 0.1808511), wk = 0.0023256 k( 162) = ( 0.0000000 0.0000000 0.1914894), wk = 0.0023256 k( 163) = ( 0.0000000 0.0000000 0.2021277), wk = 0.0023256 k( 164) = ( 0.0000000 0.0000000 0.2127660), wk = 0.0023256 k( 165) = ( 0.0000000 0.0000000 0.2234043), wk = 0.0023256 k( 166) = ( 0.0000000 0.0000000 0.2340426), wk = 0.0023256 k( 167) = ( 0.0000000 0.0000000 0.2446809), wk = 0.0023256 k( 168) = ( 0.0000000 0.0000000 0.2553191), wk = 0.0023256 k( 169) = ( 0.0000000 0.0000000 0.2659574), wk = 0.0023256 k( 170) = ( 0.0000000 0.0000000 0.2765957), wk = 0.0023256 k( 171) = ( 0.0000000 0.0000000 0.2872340), wk = 0.0023256 k( 172) = ( 0.0000000 0.0000000 0.2978723), wk = 0.0023256 k( 173) = ( 0.0000000 0.0000000 0.3085106), wk = 0.0023256 k( 174) = ( 0.0000000 0.0000000 0.3191489), wk = 0.0023256 k( 175) = ( 0.0000000 0.0000000 0.3297872), wk = 0.0023256 k( 176) = ( 0.0000000 0.0000000 0.3404255), wk = 0.0023256 k( 177) = ( 0.0000000 0.0000000 0.3510638), wk = 0.0023256 k( 178) = ( 0.0000000 0.0000000 0.3617021), wk = 0.0023256 k( 179) = ( 0.0000000 0.0000000 0.3723404), wk = 0.0023256 k( 180) = ( 0.0000000 0.0000000 0.3829787), wk = 0.0023256 k( 181) = ( 0.0000000 0.0000000 0.3936170), wk = 0.0023256 k( 182) = ( 0.0000000 0.0000000 0.4042553), wk = 0.0023256 k( 183) = ( 0.0000000 0.0000000 0.4148936), wk = 0.0023256 k( 184) = ( 0.0000000 0.0000000 0.4255319), wk = 0.0023256 k( 185) = ( 0.0000000 0.0000000 0.4361702), wk = 0.0023256 k( 186) = ( 0.0000000 0.0000000 0.4468085), wk = 0.0023256 k( 187) = ( 0.0000000 0.0000000 0.4574468), wk = 0.0023256 k( 188) = ( 0.0000000 0.0000000 0.4680851), wk = 0.0023256 k( 189) = ( 0.0000000 0.0000000 0.4787234), wk = 0.0023256 k( 190) = ( 0.0000000 0.0000000 0.4893617), wk = 0.0023256 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023256 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023256 k( 193) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0023256 k( 194) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0023256 k( 195) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0023256 k( 196) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0023256 k( 197) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0023256 k( 198) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0023256 k( 199) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0023256 k( 200) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0023256 k( 201) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0023256 k( 202) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0023256 k( 203) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0023256 k( 204) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0023256 k( 205) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0023256 k( 206) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0023256 k( 207) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0023256 k( 208) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0023256 k( 209) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0023256 k( 210) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0023256 k( 211) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0023256 k( 212) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0023256 k( 213) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0023256 k( 214) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0023256 k( 215) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0023256 k( 216) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0023256 k( 217) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0023256 k( 218) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0023256 k( 219) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0023256 k( 220) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0023256 k( 221) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0023256 k( 222) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0023256 k( 223) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0023256 k( 224) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0023256 k( 225) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0023256 k( 226) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0023256 k( 227) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0023256 k( 228) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0023256 k( 229) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0023256 k( 230) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0023256 k( 231) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0023256 k( 232) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0023256 k( 233) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023256 k( 234) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023256 k( 235) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0023256 k( 236) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0023256 k( 237) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0023256 k( 238) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0023256 k( 239) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0023256 k( 240) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0023256 k( 241) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0023256 k( 242) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0023256 k( 243) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0023256 k( 244) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0023256 k( 245) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0023256 k( 246) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0023256 k( 247) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0023256 k( 248) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0023256 k( 249) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0023256 k( 250) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0023256 k( 251) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0023256 k( 252) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0023256 k( 253) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0023256 k( 254) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0023256 k( 255) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0023256 k( 256) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0023256 k( 257) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0023256 k( 258) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0023256 k( 259) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0023256 k( 260) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0023256 k( 261) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0023256 k( 262) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0023256 k( 263) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0023256 k( 264) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0023256 k( 265) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0023256 k( 266) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0023256 k( 267) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0023256 k( 268) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0023256 k( 269) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0023256 k( 270) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0023256 k( 271) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0023256 k( 272) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0023256 k( 273) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0023256 k( 274) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0023256 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023256 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023256 k( 277) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0023256 k( 278) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0023256 k( 279) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0023256 k( 280) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0023256 k( 281) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0023256 k( 282) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0023256 k( 283) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0023256 k( 284) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0023256 k( 285) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0023256 k( 286) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0023256 k( 287) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0023256 k( 288) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0023256 k( 289) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0023256 k( 290) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0023256 k( 291) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0023256 k( 292) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0023256 k( 293) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0023256 k( 294) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0023256 k( 295) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0023256 k( 296) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0023256 k( 297) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0023256 k( 298) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0023256 k( 299) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0023256 k( 300) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0023256 k( 301) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0023256 k( 302) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0023256 k( 303) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0023256 k( 304) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0023256 k( 305) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023256 k( 306) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0023256 k( 307) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0023256 k( 308) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0023256 k( 309) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0023256 k( 310) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0023256 k( 311) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0023256 k( 312) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0023256 k( 313) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0023256 k( 314) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0023256 k( 315) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0023256 k( 316) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0023256 k( 317) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0023256 k( 318) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0023256 k( 319) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0023256 k( 320) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0023256 k( 321) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0023256 k( 322) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0023256 k( 323) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0023256 k( 324) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0023256 k( 325) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0023256 k( 326) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0023256 k( 327) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0023256 k( 328) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0023256 k( 329) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0023256 k( 330) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0023256 k( 331) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0023256 k( 332) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0023256 k( 333) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0023256 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023256 k( 335) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023256 k( 336) = ( 0.0000000 0.5000000 0.0106383), wk = 0.0023256 k( 337) = ( 0.0000000 0.5000000 0.0212766), wk = 0.0023256 k( 338) = ( 0.0000000 0.5000000 0.0319149), wk = 0.0023256 k( 339) = ( 0.0000000 0.5000000 0.0425532), wk = 0.0023256 k( 340) = ( 0.0000000 0.5000000 0.0531915), wk = 0.0023256 k( 341) = ( 0.0000000 0.5000000 0.0638298), wk = 0.0023256 k( 342) = ( 0.0000000 0.5000000 0.0744681), wk = 0.0023256 k( 343) = ( 0.0000000 0.5000000 0.0851064), wk = 0.0023256 k( 344) = ( 0.0000000 0.5000000 0.0957447), wk = 0.0023256 k( 345) = ( 0.0000000 0.5000000 0.1063830), wk = 0.0023256 k( 346) = ( 0.0000000 0.5000000 0.1170213), wk = 0.0023256 k( 347) = ( 0.0000000 0.5000000 0.1276596), wk = 0.0023256 k( 348) = ( 0.0000000 0.5000000 0.1382979), wk = 0.0023256 k( 349) = ( 0.0000000 0.5000000 0.1489362), wk = 0.0023256 k( 350) = ( 0.0000000 0.5000000 0.1595745), wk = 0.0023256 k( 351) = ( 0.0000000 0.5000000 0.1702128), wk = 0.0023256 k( 352) = ( 0.0000000 0.5000000 0.1808511), wk = 0.0023256 k( 353) = ( 0.0000000 0.5000000 0.1914894), wk = 0.0023256 k( 354) = ( 0.0000000 0.5000000 0.2021277), wk = 0.0023256 k( 355) = ( 0.0000000 0.5000000 0.2127660), wk = 0.0023256 k( 356) = ( 0.0000000 0.5000000 0.2234043), wk = 0.0023256 k( 357) = ( 0.0000000 0.5000000 0.2340425), wk = 0.0023256 k( 358) = ( 0.0000000 0.5000000 0.2446809), wk = 0.0023256 k( 359) = ( 0.0000000 0.5000000 0.2553191), wk = 0.0023256 k( 360) = ( 0.0000000 0.5000000 0.2659575), wk = 0.0023256 k( 361) = ( 0.0000000 0.5000000 0.2765957), wk = 0.0023256 k( 362) = ( 0.0000000 0.5000000 0.2872340), wk = 0.0023256 k( 363) = ( 0.0000000 0.5000000 0.2978723), wk = 0.0023256 k( 364) = ( 0.0000000 0.5000000 0.3085106), wk = 0.0023256 k( 365) = ( 0.0000000 0.5000000 0.3191489), wk = 0.0023256 k( 366) = ( 0.0000000 0.5000000 0.3297872), wk = 0.0023256 k( 367) = ( 0.0000000 0.5000000 0.3404255), wk = 0.0023256 k( 368) = ( 0.0000000 0.5000000 0.3510638), wk = 0.0023256 k( 369) = ( 0.0000000 0.5000000 0.3617021), wk = 0.0023256 k( 370) = ( 0.0000000 0.5000000 0.3723404), wk = 0.0023256 k( 371) = ( 0.0000000 0.5000000 0.3829787), wk = 0.0023256 k( 372) = ( 0.0000000 0.5000000 0.3936170), wk = 0.0023256 k( 373) = ( 0.0000000 0.5000000 0.4042553), wk = 0.0023256 k( 374) = ( 0.0000000 0.5000000 0.4148936), wk = 0.0023256 k( 375) = ( 0.0000000 0.5000000 0.4255319), wk = 0.0023256 k( 376) = ( 0.0000000 0.5000000 0.4361702), wk = 0.0023256 k( 377) = ( 0.0000000 0.5000000 0.4468085), wk = 0.0023256 k( 378) = ( 0.0000000 0.5000000 0.4574468), wk = 0.0023256 k( 379) = ( 0.0000000 0.5000000 0.4680851), wk = 0.0023256 k( 380) = ( 0.0000000 0.5000000 0.4787234), wk = 0.0023256 k( 381) = ( 0.0000000 0.5000000 0.4893617), wk = 0.0023256 k( 382) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023256 k( 383) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023256 k( 384) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0023256 k( 385) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0023256 k( 386) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0023256 k( 387) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0023256 k( 388) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0023256 k( 389) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0023256 k( 390) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0023256 k( 391) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0023256 k( 392) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0023256 k( 393) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0023256 k( 394) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0023256 k( 395) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0023256 k( 396) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0023256 k( 397) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0023256 k( 398) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0023256 k( 399) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0023256 k( 400) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0023256 k( 401) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0023256 k( 402) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0023256 k( 403) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0023256 k( 404) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0023256 k( 405) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0023256 k( 406) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0023256 k( 407) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0023256 k( 408) = ( 0.5000000 0.5000000 0.2659575), wk = 0.0023256 k( 409) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0023256 k( 410) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0023256 k( 411) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0023256 k( 412) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0023256 k( 413) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0023256 k( 414) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0023256 k( 415) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0023256 k( 416) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0023256 k( 417) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0023256 k( 418) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0023256 k( 419) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0023256 k( 420) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0023256 k( 421) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0023256 k( 422) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0023256 k( 423) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0023256 k( 424) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0023256 k( 425) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0023256 k( 426) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0023256 k( 427) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0023256 k( 428) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0023256 k( 429) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0023256 k( 430) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023256 Dense grid: 33673 G-vectors FFT dimensions: ( 45, 45, 40) Smooth grid: 14919 G-vectors FFT dimensions: ( 36, 36, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 118, 38) NL pseudopotentials 0.09 Mb ( 59, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 937) G-vector shells 0.00 Mb ( 433) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 118, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaFeO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 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 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.6 secs Computing kpt #: 27 total cpu time spent up to now is 12.0 secs Computing kpt #: 28 total cpu time spent up to now is 12.4 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.2 secs Computing kpt #: 36 total cpu time spent up to now is 15.9 secs Computing kpt #: 37 total cpu time spent up to now is 16.3 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 17.1 secs Computing kpt #: 39 total cpu time spent up to now is 17.5 secs Computing kpt #: 40 total cpu time spent up to now is 18.1 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.8 secs Computing kpt #: 42 total cpu time spent up to now is 19.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.3 secs Computing kpt #: 44 total cpu time spent up to now is 20.8 secs Computing kpt #: 45 total cpu time spent up to now is 21.2 secs Computing kpt #: 46 total cpu time spent up to now is 21.7 secs Computing kpt #: 47 total cpu time spent up to now is 22.1 secs Computing kpt #: 48 total cpu time spent up to now is 22.5 secs Computing kpt #: 49 total cpu time spent up to now is 23.0 secs Computing kpt #: 50 total cpu time spent up to now is 23.4 secs Computing kpt #: 51 total cpu time spent up to now is 23.8 secs Computing kpt #: 52 total cpu time spent up to now is 24.2 secs Computing kpt #: 53 total cpu time spent up to now is 24.6 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.8 secs Computing kpt #: 57 total cpu time spent up to now is 26.2 secs Computing kpt #: 58 total cpu time spent up to now is 26.6 secs Computing kpt #: 59 total cpu time spent up to now is 27.0 secs Computing kpt #: 60 total cpu time spent up to now is 27.4 secs Computing kpt #: 61 total cpu time spent up to now is 27.8 secs Computing kpt #: 62 total cpu time spent up to now is 28.2 secs Computing kpt #: 63 total cpu time spent up to now is 28.6 secs Computing kpt #: 64 total cpu time spent up to now is 28.9 secs Computing kpt #: 65 total cpu time spent up to now is 29.3 secs Computing kpt #: 66 total cpu time spent up to now is 29.6 secs Computing kpt #: 67 total cpu time spent up to now is 30.0 secs Computing kpt #: 68 total cpu time spent up to now is 30.3 secs Computing kpt #: 69 total cpu time spent up to now is 30.7 secs Computing kpt #: 70 total cpu time spent up to now is 31.0 secs Computing kpt #: 71 total cpu time spent up to now is 31.3 secs Computing kpt #: 72 total cpu time spent up to now is 31.7 secs Computing kpt #: 73 total cpu time spent up to now is 32.0 secs Computing kpt #: 74 total cpu time spent up to now is 32.3 secs Computing kpt #: 75 total cpu time spent up to now is 32.7 secs Computing kpt #: 76 total cpu time spent up to now is 33.0 secs Computing kpt #: 77 total cpu time spent up to now is 33.3 secs Computing kpt #: 78 total cpu time spent up to now is 33.6 secs Computing kpt #: 79 total cpu time spent up to now is 33.9 secs Computing kpt #: 80 total cpu time spent up to now is 34.2 secs Computing kpt #: 81 total cpu time spent up to now is 34.5 secs Computing kpt #: 82 total cpu time spent up to now is 34.8 secs Computing kpt #: 83 total cpu time spent up to now is 35.2 secs Computing kpt #: 84 total cpu time spent up to now is 35.5 secs Computing kpt #: 85 total cpu time spent up to now is 35.8 secs Computing kpt #: 86 total cpu time spent up to now is 36.1 secs Computing kpt #: 87 total cpu time spent up to now is 36.4 secs Computing kpt #: 88 total cpu time spent up to now is 36.8 secs Computing kpt #: 89 total cpu time spent up to now is 37.0 secs Computing kpt #: 90 total cpu time spent up to now is 37.3 secs Computing kpt #: 91 total cpu time spent up to now is 37.7 secs Computing kpt #: 92 total cpu time spent up to now is 38.0 secs Computing kpt #: 93 total cpu time spent up to now is 38.3 secs Computing kpt #: 94 total cpu time spent up to now is 38.7 secs Computing kpt #: 95 total cpu time spent up to now is 39.0 secs Computing kpt #: 96 total cpu time spent up to now is 39.3 secs Computing kpt #: 97 total cpu time spent up to now is 39.6 secs Computing kpt #: 98 total cpu time spent up to now is 40.0 secs Computing kpt #: 99 total cpu time spent up to now is 40.3 secs Computing kpt #: 100 total cpu time spent up to now is 40.7 secs Computing kpt #: 101 total cpu time spent up to now is 41.1 secs Computing kpt #: 102 total cpu time spent up to now is 41.5 secs Computing kpt #: 103 total cpu time spent up to now is 41.8 secs Computing kpt #: 104 total cpu time spent up to now is 42.2 secs Computing kpt #: 105 total cpu time spent up to now is 42.6 secs Computing kpt #: 106 total cpu time spent up to now is 43.0 secs Computing kpt #: 107 total cpu time spent up to now is 43.4 secs Computing kpt #: 108 total cpu time spent up to now is 43.8 secs Computing kpt #: 109 total cpu time spent up to now is 44.2 secs Computing kpt #: 110 total cpu time spent up to now is 44.6 secs Computing kpt #: 111 total cpu time spent up to now is 45.1 secs Computing kpt #: 112 total cpu time spent up to now is 45.6 secs Computing kpt #: 113 total cpu time spent up to now is 46.1 secs Computing kpt #: 114 total cpu time spent up to now is 46.6 secs Computing kpt #: 115 total cpu time spent up to now is 47.2 secs Computing kpt #: 116 total cpu time spent up to now is 47.7 secs Computing kpt #: 117 total cpu time spent up to now is 48.1 secs Computing kpt #: 118 total cpu time spent up to now is 48.6 secs Computing kpt #: 119 total cpu time spent up to now is 49.0 secs Computing kpt #: 120 total cpu time spent up to now is 49.4 secs Computing kpt #: 121 total cpu time spent up to now is 49.8 secs Computing kpt #: 122 total cpu time spent up to now is 50.2 secs Computing kpt #: 123 total cpu time spent up to now is 50.7 secs Computing kpt #: 124 total cpu time spent up to now is 51.1 secs Computing kpt #: 125 total cpu time spent up to now is 51.4 secs Computing kpt #: 126 total cpu time spent up to now is 51.8 secs Computing kpt #: 127 total cpu time spent up to now is 52.2 secs Computing kpt #: 128 total cpu time spent up to now is 52.5 secs Computing kpt #: 129 total cpu time spent up to now is 52.9 secs Computing kpt #: 130 total cpu time spent up to now is 53.3 secs Computing kpt #: 131 total cpu time spent up to now is 53.6 secs Computing kpt #: 132 total cpu time spent up to now is 53.8 secs Computing kpt #: 133 total cpu time spent up to now is 54.1 secs Computing kpt #: 134 total cpu time spent up to now is 54.5 secs Computing kpt #: 135 total cpu time spent up to now is 54.8 secs Computing kpt #: 136 total cpu time spent up to now is 55.1 secs Computing kpt #: 137 total cpu time spent up to now is 55.4 secs Computing kpt #: 138 total cpu time spent up to now is 55.7 secs Computing kpt #: 139 total cpu time spent up to now is 56.0 secs Computing kpt #: 140 total cpu time spent up to now is 56.3 secs Computing kpt #: 141 total cpu time spent up to now is 56.6 secs Computing kpt #: 142 total cpu time spent up to now is 56.8 secs Computing kpt #: 143 total cpu time spent up to now is 57.1 secs Computing kpt #: 144 total cpu time spent up to now is 57.3 secs Computing kpt #: 145 total cpu time spent up to now is 57.6 secs Computing kpt #: 146 total cpu time spent up to now is 57.8 secs Computing kpt #: 147 total cpu time spent up to now is 58.1 secs Computing kpt #: 148 total cpu time spent up to now is 58.5 secs Computing kpt #: 149 total cpu time spent up to now is 58.7 secs Computing kpt #: 150 total cpu time spent up to now is 59.0 secs Computing kpt #: 151 total cpu time spent up to now is 59.3 secs Computing kpt #: 152 total cpu time spent up to now is 59.6 secs Computing kpt #: 153 total cpu time spent up to now is 59.9 secs Computing kpt #: 154 total cpu time spent up to now is 60.3 secs Computing kpt #: 155 total cpu time spent up to now is 60.6 secs Computing kpt #: 156 total cpu time spent up to now is 60.9 secs Computing kpt #: 157 total cpu time spent up to now is 61.2 secs Computing kpt #: 158 total cpu time spent up to now is 61.5 secs Computing kpt #: 159 total cpu time spent up to now is 61.8 secs Computing kpt #: 160 total cpu time spent up to now is 62.2 secs Computing kpt #: 161 total cpu time spent up to now is 62.5 secs Computing kpt #: 162 total cpu time spent up to now is 62.9 secs Computing kpt #: 163 total cpu time spent up to now is 63.2 secs Computing kpt #: 164 total cpu time spent up to now is 63.6 secs Computing kpt #: 165 total cpu time spent up to now is 64.0 secs Computing kpt #: 166 total cpu time spent up to now is 64.4 secs Computing kpt #: 167 total cpu time spent up to now is 64.7 secs Computing kpt #: 168 total cpu time spent up to now is 65.2 secs Computing kpt #: 169 total cpu time spent up to now is 65.7 secs Computing kpt #: 170 total cpu time spent up to now is 66.5 secs Computing kpt #: 171 total cpu time spent up to now is 67.0 secs Computing kpt #: 172 total cpu time spent up to now is 67.4 secs Computing kpt #: 173 total cpu time spent up to now is 68.0 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.8 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.6 secs Computing kpt #: 176 total cpu time spent up to now is 70.3 secs Computing kpt #: 177 total cpu time spent up to now is 71.0 secs Computing kpt #: 178 total cpu time spent up to now is 71.6 secs Computing kpt #: 179 total cpu time spent up to now is 72.2 secs Computing kpt #: 180 total cpu time spent up to now is 72.7 secs Computing kpt #: 181 total cpu time spent up to now is 73.3 secs Computing kpt #: 182 total cpu time spent up to now is 73.8 secs Computing kpt #: 183 total cpu time spent up to now is 74.3 secs Computing kpt #: 184 total cpu time spent up to now is 74.8 secs Computing kpt #: 185 total cpu time spent up to now is 75.3 secs Computing kpt #: 186 total cpu time spent up to now is 75.8 secs Computing kpt #: 187 total cpu time spent up to now is 76.3 secs Computing kpt #: 188 total cpu time spent up to now is 76.6 secs Computing kpt #: 189 total cpu time spent up to now is 76.9 secs Computing kpt #: 190 total cpu time spent up to now is 77.3 secs Computing kpt #: 191 total cpu time spent up to now is 77.7 secs Computing kpt #: 192 total cpu time spent up to now is 78.2 secs Computing kpt #: 193 total cpu time spent up to now is 78.6 secs Computing kpt #: 194 total cpu time spent up to now is 79.0 secs Computing kpt #: 195 total cpu time spent up to now is 79.3 secs Computing kpt #: 196 total cpu time spent up to now is 79.8 secs Computing kpt #: 197 total cpu time spent up to now is 80.3 secs Computing kpt #: 198 total cpu time spent up to now is 80.8 secs Computing kpt #: 199 total cpu time spent up to now is 81.2 secs Computing kpt #: 200 total cpu time spent up to now is 81.7 secs Computing kpt #: 201 total cpu time spent up to now is 82.2 secs Computing kpt #: 202 total cpu time spent up to now is 82.6 secs Computing kpt #: 203 total cpu time spent up to now is 83.1 secs Computing kpt #: 204 total cpu time spent up to now is 83.5 secs Computing kpt #: 205 total cpu time spent up to now is 83.9 secs Computing kpt #: 206 total cpu time spent up to now is 84.4 secs Computing kpt #: 207 total cpu time spent up to now is 84.8 secs Computing kpt #: 208 total cpu time spent up to now is 85.3 secs Computing kpt #: 209 total cpu time spent up to now is 85.7 secs Computing kpt #: 210 total cpu time spent up to now is 86.1 secs Computing kpt #: 211 total cpu time spent up to now is 86.5 secs Computing kpt #: 212 total cpu time spent up to now is 87.0 secs Computing kpt #: 213 total cpu time spent up to now is 87.4 secs Computing kpt #: 214 total cpu time spent up to now is 87.8 secs Computing kpt #: 215 total cpu time spent up to now is 88.2 secs Computing kpt #: 216 total cpu time spent up to now is 88.6 secs Computing kpt #: 217 total cpu time spent up to now is 89.0 secs Computing kpt #: 218 total cpu time spent up to now is 89.3 secs Computing kpt #: 219 total cpu time spent up to now is 89.7 secs Computing kpt #: 220 total cpu time spent up to now is 90.1 secs Computing kpt #: 221 total cpu time spent up to now is 90.5 secs Computing kpt #: 222 total cpu time spent up to now is 90.8 secs Computing kpt #: 223 total cpu time spent up to now is 91.3 secs Computing kpt #: 224 total cpu time spent up to now is 91.7 secs Computing kpt #: 225 total cpu time spent up to now is 92.1 secs Computing kpt #: 226 total cpu time spent up to now is 92.5 secs Computing kpt #: 227 total cpu time spent up to now is 92.8 secs Computing kpt #: 228 total cpu time spent up to now is 93.3 secs Computing kpt #: 229 total cpu time spent up to now is 93.7 secs Computing kpt #: 230 total cpu time spent up to now is 94.1 secs Computing kpt #: 231 total cpu time spent up to now is 94.6 secs Computing kpt #: 232 total cpu time spent up to now is 95.0 secs Computing kpt #: 233 total cpu time spent up to now is 95.3 secs Computing kpt #: 234 total cpu time spent up to now is 95.7 secs Computing kpt #: 235 total cpu time spent up to now is 96.1 secs Computing kpt #: 236 total cpu time spent up to now is 96.5 secs Computing kpt #: 237 total cpu time spent up to now is 96.9 secs Computing kpt #: 238 total cpu time spent up to now is 97.4 secs Computing kpt #: 239 total cpu time spent up to now is 97.9 secs Computing kpt #: 240 total cpu time spent up to now is 98.5 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.1 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.9 secs Computing kpt #: 244 total cpu time spent up to now is 101.5 secs Computing kpt #: 245 total cpu time spent up to now is 102.0 secs Computing kpt #: 246 total cpu time spent up to now is 102.5 secs Computing kpt #: 247 total cpu time spent up to now is 103.0 secs Computing kpt #: 248 total cpu time spent up to now is 103.4 secs Computing kpt #: 249 total cpu time spent up to now is 103.9 secs Computing kpt #: 250 total cpu time spent up to now is 104.4 secs Computing kpt #: 251 total cpu time spent up to now is 104.9 secs Computing kpt #: 252 total cpu time spent up to now is 105.4 secs Computing kpt #: 253 total cpu time spent up to now is 105.9 secs Computing kpt #: 254 total cpu time spent up to now is 106.3 secs Computing kpt #: 255 total cpu time spent up to now is 106.8 secs Computing kpt #: 256 total cpu time spent up to now is 107.3 secs Computing kpt #: 257 total cpu time spent up to now is 107.9 secs Computing kpt #: 258 total cpu time spent up to now is 108.5 secs Computing kpt #: 259 total cpu time spent up to now is 109.2 secs Computing kpt #: 260 total cpu time spent up to now is 109.8 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.7 secs Computing kpt #: 262 total cpu time spent up to now is 111.5 secs Computing kpt #: 263 total cpu time spent up to now is 112.3 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.1 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.9 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.7 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.5 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.3 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.1 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.9 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.7 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.5 secs Computing kpt #: 273 total cpu time spent up to now is 120.1 secs Computing kpt #: 274 total cpu time spent up to now is 120.7 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.4 secs Computing kpt #: 276 total cpu time spent up to now is 121.8 secs Computing kpt #: 277 total cpu time spent up to now is 122.5 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.3 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.7 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.3 secs Computing kpt #: 284 total cpu time spent up to now is 130.1 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.9 secs Computing kpt #: 286 total cpu time spent up to now is 131.6 secs Computing kpt #: 287 total cpu time spent up to now is 132.2 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.0 secs Computing kpt #: 289 total cpu time spent up to now is 133.6 secs Computing kpt #: 290 total cpu time spent up to now is 134.1 secs Computing kpt #: 291 total cpu time spent up to now is 134.6 secs Computing kpt #: 292 total cpu time spent up to now is 135.1 secs Computing kpt #: 293 total cpu time spent up to now is 135.6 secs Computing kpt #: 294 total cpu time spent up to now is 136.1 secs Computing kpt #: 295 total cpu time spent up to now is 136.6 secs Computing kpt #: 296 total cpu time spent up to now is 137.2 secs Computing kpt #: 297 total cpu time spent up to now is 137.7 secs Computing kpt #: 298 total cpu time spent up to now is 138.0 secs Computing kpt #: 299 total cpu time spent up to now is 138.4 secs Computing kpt #: 300 total cpu time spent up to now is 138.8 secs Computing kpt #: 301 total cpu time spent up to now is 139.2 secs Computing kpt #: 302 total cpu time spent up to now is 139.6 secs Computing kpt #: 303 total cpu time spent up to now is 140.3 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.1 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.0 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.8 secs Computing kpt #: 307 total cpu time spent up to now is 143.4 secs Computing kpt #: 308 total cpu time spent up to now is 144.0 secs Computing kpt #: 309 total cpu time spent up to now is 144.5 secs Computing kpt #: 310 total cpu time spent up to now is 144.9 secs Computing kpt #: 311 total cpu time spent up to now is 145.4 secs Computing kpt #: 312 total cpu time spent up to now is 145.8 secs Computing kpt #: 313 total cpu time spent up to now is 146.1 secs Computing kpt #: 314 total cpu time spent up to now is 146.5 secs Computing kpt #: 315 total cpu time spent up to now is 146.9 secs Computing kpt #: 316 total cpu time spent up to now is 147.3 secs Computing kpt #: 317 total cpu time spent up to now is 147.6 secs Computing kpt #: 318 total cpu time spent up to now is 148.0 secs Computing kpt #: 319 total cpu time spent up to now is 148.4 secs Computing kpt #: 320 total cpu time spent up to now is 148.8 secs Computing kpt #: 321 total cpu time spent up to now is 149.2 secs Computing kpt #: 322 total cpu time spent up to now is 149.6 secs Computing kpt #: 323 total cpu time spent up to now is 150.0 secs Computing kpt #: 324 total cpu time spent up to now is 150.5 secs Computing kpt #: 325 total cpu time spent up to now is 150.9 secs Computing kpt #: 326 total cpu time spent up to now is 151.4 secs Computing kpt #: 327 total cpu time spent up to now is 151.9 secs Computing kpt #: 328 total cpu time spent up to now is 152.7 secs Computing kpt #: 329 total cpu time spent up to now is 153.1 secs Computing kpt #: 330 total cpu time spent up to now is 153.6 secs Computing kpt #: 331 total cpu time spent up to now is 154.0 secs Computing kpt #: 332 total cpu time spent up to now is 154.4 secs Computing kpt #: 333 total cpu time spent up to now is 154.8 secs Computing kpt #: 334 total cpu time spent up to now is 155.3 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.0 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.8 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.6 secs Computing kpt #: 338 total cpu time spent up to now is 158.3 secs Computing kpt #: 339 total cpu time spent up to now is 158.8 secs Computing kpt #: 340 total cpu time spent up to now is 159.3 secs Computing kpt #: 341 total cpu time spent up to now is 159.9 secs Computing kpt #: 342 total cpu time spent up to now is 160.4 secs Computing kpt #: 343 total cpu time spent up to now is 160.9 secs Computing kpt #: 344 total cpu time spent up to now is 161.3 secs Computing kpt #: 345 total cpu time spent up to now is 161.8 secs Computing kpt #: 346 total cpu time spent up to now is 162.2 secs Computing kpt #: 347 total cpu time spent up to now is 162.6 secs Computing kpt #: 348 total cpu time spent up to now is 163.0 secs Computing kpt #: 349 total cpu time spent up to now is 163.4 secs Computing kpt #: 350 total cpu time spent up to now is 163.8 secs Computing kpt #: 351 total cpu time spent up to now is 164.2 secs Computing kpt #: 352 total cpu time spent up to now is 164.6 secs Computing kpt #: 353 total cpu time spent up to now is 165.0 secs Computing kpt #: 354 total cpu time spent up to now is 165.4 secs Computing kpt #: 355 total cpu time spent up to now is 165.9 secs Computing kpt #: 356 total cpu time spent up to now is 166.3 secs Computing kpt #: 357 total cpu time spent up to now is 166.7 secs Computing kpt #: 358 total cpu time spent up to now is 167.2 secs Computing kpt #: 359 total cpu time spent up to now is 167.6 secs Computing kpt #: 360 total cpu time spent up to now is 168.0 secs Computing kpt #: 361 total cpu time spent up to now is 168.5 secs Computing kpt #: 362 total cpu time spent up to now is 169.0 secs Computing kpt #: 363 total cpu time spent up to now is 169.3 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.1 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 366 total cpu time spent up to now is 171.4 secs Computing kpt #: 367 total cpu time spent up to now is 171.8 secs Computing kpt #: 368 total cpu time spent up to now is 172.2 secs Computing kpt #: 369 total cpu time spent up to now is 172.6 secs Computing kpt #: 370 total cpu time spent up to now is 173.0 secs Computing kpt #: 371 total cpu time spent up to now is 173.4 secs Computing kpt #: 372 total cpu time spent up to now is 173.8 secs Computing kpt #: 373 total cpu time spent up to now is 174.2 secs Computing kpt #: 374 total cpu time spent up to now is 174.6 secs Computing kpt #: 375 total cpu time spent up to now is 175.0 secs Computing kpt #: 376 total cpu time spent up to now is 175.4 secs Computing kpt #: 377 total cpu time spent up to now is 175.7 secs Computing kpt #: 378 total cpu time spent up to now is 176.1 secs Computing kpt #: 379 total cpu time spent up to now is 176.5 secs Computing kpt #: 380 total cpu time spent up to now is 176.9 secs Computing kpt #: 381 total cpu time spent up to now is 177.2 secs Computing kpt #: 382 total cpu time spent up to now is 177.6 secs Computing kpt #: 383 total cpu time spent up to now is 177.9 secs Computing kpt #: 384 total cpu time spent up to now is 178.2 secs Computing kpt #: 385 total cpu time spent up to now is 178.5 secs Computing kpt #: 386 total cpu time spent up to now is 178.9 secs Computing kpt #: 387 total cpu time spent up to now is 179.2 secs Computing kpt #: 388 total cpu time spent up to now is 179.5 secs Computing kpt #: 389 total cpu time spent up to now is 179.8 secs Computing kpt #: 390 total cpu time spent up to now is 180.1 secs Computing kpt #: 391 total cpu time spent up to now is 180.4 secs Computing kpt #: 392 total cpu time spent up to now is 180.8 secs Computing kpt #: 393 total cpu time spent up to now is 181.1 secs Computing kpt #: 394 total cpu time spent up to now is 181.5 secs Computing kpt #: 395 total cpu time spent up to now is 181.9 secs Computing kpt #: 396 total cpu time spent up to now is 182.2 secs Computing kpt #: 397 total cpu time spent up to now is 182.8 secs Computing kpt #: 398 total cpu time spent up to now is 183.3 secs Computing kpt #: 399 total cpu time spent up to now is 183.8 secs Computing kpt #: 400 total cpu time spent up to now is 184.3 secs Computing kpt #: 401 total cpu time spent up to now is 184.9 secs Computing kpt #: 402 total cpu time spent up to now is 185.7 secs Computing kpt #: 403 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.5 secs Computing kpt #: 404 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.3 secs Computing kpt #: 405 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.1 secs Computing kpt #: 406 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.9 secs Computing kpt #: 407 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.8 secs Computing kpt #: 408 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.5 secs Computing kpt #: 409 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.3 secs Computing kpt #: 410 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.2 secs Computing kpt #: 411 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.0 secs Computing kpt #: 412 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.8 secs Computing kpt #: 413 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 414 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.4 secs Computing kpt #: 415 total cpu time spent up to now is 195.8 secs Computing kpt #: 416 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.6 secs Computing kpt #: 417 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.3 secs Computing kpt #: 418 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.1 secs Computing kpt #: 419 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.8 secs Computing kpt #: 420 total cpu time spent up to now is 199.2 secs Computing kpt #: 421 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 422 total cpu time spent up to now is 200.5 secs Computing kpt #: 423 total cpu time spent up to now is 200.9 secs Computing kpt #: 424 total cpu time spent up to now is 201.4 secs Computing kpt #: 425 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.2 secs Computing kpt #: 426 total cpu time spent up to now is 202.8 secs Computing kpt #: 427 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 428 total cpu time spent up to now is 204.1 secs Computing kpt #: 429 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.9 secs Computing kpt #: 430 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.7 secs ethr = 3.33E-08, avg # of iterations = 59.1 total cpu time spent up to now is 205.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1849 PWs) bands (ev): -30.8535 -30.8535 -12.0753 -12.0753 -11.7329 -11.7329 -11.6365 -11.6365 -9.7875 -9.7875 -8.7626 -8.7626 4.3180 4.3180 4.3399 4.3399 5.8788 5.8788 6.7163 6.7163 6.8599 6.8599 6.8898 6.8898 7.2425 7.2425 7.9108 7.9108 8.5147 8.5147 8.5721 8.5721 9.2790 9.2790 11.5118 11.5118 12.7094 12.7094 k = 0.0000 0.0122-0.0000 ( 1851 PWs) bands (ev): -30.8535 -30.8535 -12.0755 -12.0755 -11.7332 -11.7332 -11.6365 -11.6365 -9.7866 -9.7866 -8.7624 -8.7624 4.3170 4.3170 4.3390 4.3390 5.8784 5.8784 6.7144 6.7144 6.8554 6.8554 6.8850 6.8850 7.2434 7.2434 7.9155 7.9155 8.5159 8.5159 8.5733 8.5733 9.2825 9.2825 11.5136 11.5136 12.7121 12.7121 k = 0.0000 0.0244-0.0000 ( 1846 PWs) bands (ev): -30.8535 -30.8535 -12.0761 -12.0761 -11.7341 -11.7341 -11.6367 -11.6367 -9.7838 -9.7838 -8.7620 -8.7620 4.3132 4.3132 4.3372 4.3372 5.8769 5.8769 6.7088 6.7088 6.8421 6.8421 6.8709 6.8709 7.2458 7.2458 7.9294 7.9294 8.5193 8.5193 8.5775 8.5775 9.2928 9.2928 11.5193 11.5193 12.7201 12.7201 k = 0.0000 0.0366-0.0000 ( 1842 PWs) bands (ev): -30.8534 -30.8534 -12.0771 -12.0771 -11.7357 -11.7357 -11.6369 -11.6369 -9.7792 -9.7792 -8.7612 -8.7612 4.3048 4.3048 4.3363 4.3363 5.8745 5.8745 6.6996 6.6996 6.8205 6.8205 6.8480 6.8480 7.2497 7.2497 7.9518 7.9518 8.5241 8.5241 8.5851 8.5851 9.3096 9.3096 11.5287 11.5287 12.7333 12.7333 k = 0.0000 0.0488-0.0000 ( 1846 PWs) bands (ev): -30.8533 -30.8533 -12.0786 -12.0786 -11.7380 -11.7380 -11.6372 -11.6372 -9.7727 -9.7727 -8.7602 -8.7602 4.2913 4.2913 4.3369 4.3369 5.8711 5.8711 6.6869 6.6869 6.7914 6.7914 6.8174 6.8174 7.2549 7.2549 7.9815 7.9815 8.5290 8.5290 8.5971 8.5971 9.3322 9.3322 11.5417 11.5417 12.7517 12.7517 k = 0.0000 0.0610-0.0000 ( 1850 PWs) bands (ev): -30.8532 -30.8532 -12.0806 -12.0806 -11.7408 -11.7408 -11.6376 -11.6376 -9.7646 -9.7646 -8.7590 -8.7590 4.2729 4.2729 4.3389 4.3389 5.8668 5.8668 6.6711 6.6711 6.7558 6.7558 6.7802 6.7802 7.2612 7.2612 8.0173 8.0173 8.5335 8.5335 8.6140 8.6140 9.3600 9.3600 11.5585 11.5585 12.7751 12.7751 k = 0.0000 0.0732-0.0000 ( 1848 PWs) bands (ev): -30.8531 -30.8531 -12.0829 -12.0829 -11.7442 -11.7442 -11.6380 -11.6380 -9.7546 -9.7546 -8.7575 -8.7575 4.2502 4.2502 4.3419 4.3419 5.8617 5.8617 6.6523 6.6523 6.7145 6.7145 6.7375 6.7375 7.2686 7.2686 8.0583 8.0583 8.5372 8.5372 8.6359 8.6359 9.3922 9.3922 11.5788 11.5788 12.8035 12.8035 k = 0.0000 0.0854-0.0000 ( 1850 PWs) bands (ev): -30.8530 -30.8530 -12.0858 -12.0858 -11.7481 -11.7481 -11.6385 -11.6385 -9.7431 -9.7431 -8.7558 -8.7558 4.2234 4.2234 4.3458 4.3458 5.8557 5.8557 6.6308 6.6308 6.6682 6.6682 6.6906 6.6906 7.2768 7.2768 8.1033 8.1033 8.5402 8.5402 8.6620 8.6620 9.4278 9.4278 11.6027 11.6027 12.8367 12.8367 k = 0.0000 0.0976-0.0000 ( 1850 PWs) bands (ev): -30.8528 -30.8528 -12.0891 -12.0891 -11.7525 -11.7525 -11.6388 -11.6388 -9.7299 -9.7299 -8.7540 -8.7540 4.1930 4.1930 4.3505 4.3505 5.8489 5.8489 6.6066 6.6066 6.6176 6.6176 6.6408 6.6408 7.2859 7.2859 8.1513 8.1513 8.5429 8.5429 8.6921 8.6921 9.4661 9.4661 11.6300 11.6300 12.8744 12.8744 k = 0.0000 0.1098-0.0000 ( 1850 PWs) bands (ev): -30.8527 -30.8527 -12.0928 -12.0928 -11.7572 -11.7572 -11.6392 -11.6392 -9.7153 -9.7153 -8.7520 -8.7520 4.1591 4.1591 4.3559 4.3559 5.8414 5.8414 6.5624 6.5624 6.5797 6.5797 6.5904 6.5904 7.2959 7.2959 8.2017 8.2017 8.5454 8.5454 8.7254 8.7254 9.5063 9.5063 11.6605 11.6605 12.9165 12.9165 k = 0.0000 0.1220-0.0000 ( 1850 PWs) bands (ev): -30.8525 -30.8525 -12.0970 -12.0970 -11.7623 -11.7623 -11.6395 -11.6395 -9.6992 -9.6992 -8.7499 -8.7499 4.1221 4.1221 4.3621 4.3621 5.8332 5.8332 6.5046 6.5046 6.5335 6.5335 6.5557 6.5557 7.3065 7.3065 8.2538 8.2538 8.5477 8.5477 8.7615 8.7615 9.5475 9.5475 11.6940 11.6940 12.9626 12.9626 k = 0.0000 0.1341-0.0000 ( 1854 PWs) bands (ev): -30.8523 -30.8523 -12.1018 -12.1018 -11.7677 -11.7677 -11.6398 -11.6398 -9.6817 -9.6817 -8.7478 -8.7478 4.0823 4.0823 4.3690 4.3690 5.8244 5.8244 6.4442 6.4442 6.4794 6.4794 6.5264 6.5264 7.3179 7.3179 8.3069 8.3069 8.5502 8.5502 8.8000 8.8000 9.5891 9.5891 11.7305 11.7305 13.0124 13.0124 k = 0.0000 0.1463-0.0000 ( 1862 PWs) bands (ev): -30.8521 -30.8521 -12.1070 -12.1070 -11.7733 -11.7733 -11.6400 -11.6400 -9.6630 -9.6630 -8.7457 -8.7457 4.0399 4.0399 4.3766 4.3766 5.8150 5.8150 6.3821 6.3821 6.4242 6.4242 6.4964 6.4964 7.3299 7.3299 8.3605 8.3605 8.5528 8.5528 8.8404 8.8404 9.6307 9.6307 11.7695 11.7695 13.0655 13.0655 k = 0.0000 0.1585-0.0000 ( 1862 PWs) bands (ev): -30.8518 -30.8518 -12.1127 -12.1127 -11.7789 -11.7789 -11.6402 -11.6402 -9.6431 -9.6431 -8.7436 -8.7436 3.9953 3.9953 4.3849 4.3849 5.8051 5.8051 6.3189 6.3189 6.3685 6.3685 6.4657 6.4657 7.3427 7.3427 8.4140 8.4140 8.5561 8.5561 8.8824 8.8824 9.6718 9.6718 11.8109 11.8109 13.1217 13.1217 k = 0.0000 0.1707-0.0000 ( 1850 PWs) bands (ev): -30.8516 -30.8516 -12.1187 -12.1187 -11.7845 -11.7845 -11.6402 -11.6402 -9.6221 -9.6221 -8.7416 -8.7416 3.9487 3.9487 4.3939 4.3939 5.7949 5.7949 6.2553 6.2553 6.3125 6.3125 6.4345 6.4345 7.3560 7.3560 8.4663 8.4663 8.5609 8.5609 8.9259 8.9259 9.7121 9.7121 11.8544 11.8544 13.1803 13.1803 k = 0.0000 0.1829-0.0000 ( 1850 PWs) bands (ev): -30.8513 -30.8513 -12.1253 -12.1253 -11.7901 -11.7901 -11.6402 -11.6402 -9.6001 -9.6001 -8.7398 -8.7398 3.9005 3.9005 4.4037 4.4037 5.7843 5.7843 6.1916 6.1916 6.2562 6.2562 6.4029 6.4029 7.3698 7.3698 8.5129 8.5129 8.5710 8.5710 8.9702 8.9702 9.7510 9.7510 11.8995 11.8995 13.2409 13.2409 k = 0.0000 0.1951-0.0000 ( 1854 PWs) bands (ev): -30.8511 -30.8511 -12.1323 -12.1323 -11.7956 -11.7956 -11.6402 -11.6402 -9.5772 -9.5772 -8.7382 -8.7382 3.8511 3.8511 4.4142 4.4142 5.7734 5.7734 6.1282 6.1282 6.2001 6.2001 6.3712 6.3712 7.3841 7.3841 8.5410 8.5410 8.5992 8.5992 9.0151 9.0151 9.7885 9.7885 11.9459 11.9459 13.3028 13.3028 k = 0.0000 0.2073-0.0000 ( 1858 PWs) bands (ev): -30.8508 -30.8508 -12.1397 -12.1397 -11.8010 -11.8010 -11.6401 -11.6401 -9.5535 -9.5535 -8.7369 -8.7369 3.8006 3.8006 4.4254 4.4254 5.7623 5.7623 6.0656 6.0656 6.1441 6.1441 6.3394 6.3394 7.3988 7.3988 8.5510 8.5510 8.6448 8.6448 9.0605 9.0605 9.8244 9.8244 11.9933 11.9933 13.3653 13.3653 k = 0.0000 0.2195-0.0000 ( 1858 PWs) bands (ev): -30.8505 -30.8505 -12.1474 -12.1474 -11.8061 -11.8061 -11.6400 -11.6400 -9.5291 -9.5291 -8.7359 -8.7359 3.7495 3.7495 4.4374 4.4374 5.7511 5.7511 6.0039 6.0039 6.0885 6.0885 6.3079 6.3079 7.4139 7.4139 8.5558 8.5558 8.6950 8.6950 9.1061 9.1061 9.8586 9.8586 12.0411 12.0411 13.4275 13.4275 k = 0.0000 0.2317-0.0000 ( 1846 PWs) bands (ev): -30.8502 -30.8502 -12.1553 -12.1553 -11.8110 -11.8110 -11.6398 -11.6398 -9.5041 -9.5041 -8.7354 -8.7354 3.6981 3.6981 4.4502 4.4502 5.7399 5.7399 5.9436 5.9436 6.0334 6.0334 6.2768 6.2768 7.4292 7.4292 8.5592 8.5592 8.7457 8.7457 9.1517 9.1517 9.8912 9.8912 12.0890 12.0890 13.4886 13.4886 k = 0.0000 0.2439-0.0000 ( 1846 PWs) bands (ev): -30.8500 -30.8500 -12.1635 -12.1635 -11.8156 -11.8156 -11.6396 -11.6396 -9.4786 -9.4786 -8.7352 -8.7352 3.6467 3.6467 4.4637 4.4637 5.7286 5.7286 5.8848 5.8848 5.9787 5.9787 6.2461 6.2461 7.4446 7.4446 8.5620 8.5620 8.7958 8.7958 9.1969 9.1969 9.9220 9.9220 12.1365 12.1365 13.5473 13.5473 k = 0.0000 0.2561-0.0000 ( 1846 PWs) bands (ev): -30.8497 -30.8497 -12.1719 -12.1719 -11.8200 -11.8200 -11.6393 -11.6393 -9.4526 -9.4526 -8.7356 -8.7356 3.5955 3.5955 4.4780 4.4780 5.7173 5.7173 5.8277 5.8277 5.9248 5.9248 6.2160 6.2160 7.4602 7.4602 8.5645 8.5645 8.8448 8.8448 9.2414 9.2414 9.9510 9.9510 12.1832 12.1832 13.6027 13.6027 k = 0.0000 0.2683-0.0000 ( 1850 PWs) bands (ev): -30.8494 -30.8494 -12.1804 -12.1804 -11.8241 -11.8241 -11.6391 -11.6391 -9.4262 -9.4262 -8.7365 -8.7365 3.5450 3.5450 4.4930 4.4930 5.7060 5.7060 5.7727 5.7727 5.8715 5.8715 6.1866 6.1866 7.4757 7.4757 8.5668 8.5668 8.8925 8.8925 9.2853 9.2853 9.9784 9.9784 12.2287 12.2287 13.6539 13.6539 k = 0.0000 0.2805-0.0000 ( 1848 PWs) bands (ev): -30.8491 -30.8491 -12.1890 -12.1890 -11.8279 -11.8279 -11.6388 -11.6388 -9.3996 -9.3996 -8.7380 -8.7380 3.4952 3.4952 4.5089 4.5089 5.6938 5.6938 5.7208 5.7208 5.8192 5.8192 6.1581 6.1581 7.4912 7.4912 8.5690 8.5690 8.9388 8.9388 9.3281 9.3281 10.0041 10.0041 12.2727 12.2727 13.7003 13.7003 k = 0.0000 0.2927-0.0000 ( 1848 PWs) bands (ev): -30.8488 -30.8488 -12.1976 -12.1976 -11.8314 -11.8314 -11.6385 -11.6385 -9.3729 -9.3729 -8.7402 -8.7402 3.4466 3.4466 4.5255 4.5255 5.6649 5.6649 5.6877 5.6877 5.7681 5.7681 6.1306 6.1306 7.5065 7.5065 8.5711 8.5711 8.9833 8.9833 9.3699 9.3699 10.0282 10.0282 12.3148 12.3148 13.7419 13.7419 k = 0.0000 0.3049-0.0000 ( 1848 PWs) bands (ev): -30.8486 -30.8486 -12.2060 -12.2060 -11.8346 -11.8346 -11.6382 -11.6382 -9.3461 -9.3461 -8.7430 -8.7430 3.3994 3.3994 4.5429 4.5429 5.6179 5.6179 5.6746 5.6746 5.7189 5.7189 6.1040 6.1040 7.5215 7.5215 8.5731 8.5731 9.0261 9.0261 9.4103 9.4103 10.0508 10.0508 12.3546 12.3546 13.7792 13.7792 k = 0.0000 0.3171-0.0000 ( 1848 PWs) bands (ev): -30.8483 -30.8483 -12.2144 -12.2144 -11.8375 -11.8375 -11.6379 -11.6379 -9.3193 -9.3193 -8.7466 -8.7466 3.3538 3.3538 4.5611 4.5611 5.5719 5.5719 5.6552 5.6552 5.6786 5.6786 6.0786 6.0786 7.5362 7.5362 8.5751 8.5751 9.0669 9.0669 9.4492 9.4492 10.0719 10.0719 12.3919 12.3919 13.8128 13.8128 k = 0.0000 0.3293-0.0000 ( 1852 PWs) bands (ev): -30.8481 -30.8481 -12.2225 -12.2225 -11.8402 -11.8402 -11.6376 -11.6376 -9.2926 -9.2926 -8.7509 -8.7509 3.3101 3.3101 4.5800 4.5800 5.5283 5.5283 5.6140 5.6140 5.6619 5.6619 6.0544 6.0544 7.5504 7.5504 8.5769 8.5769 9.1057 9.1057 9.4864 9.4864 10.0914 10.0914 12.4265 12.4265 13.8433 13.8433 k = 0.0000 0.3415-0.0000 ( 1856 PWs) bands (ev): -30.8478 -30.8478 -12.2304 -12.2304 -11.8426 -11.8426 -11.6373 -11.6373 -9.2662 -9.2662 -8.7560 -8.7560 3.2684 3.2684 4.5996 4.5996 5.4872 5.4872 5.5678 5.5678 5.6519 5.6519 6.0315 6.0315 7.5641 7.5641 8.5787 8.5787 9.1423 9.1423 9.5217 9.5217 10.1095 10.1095 12.4582 12.4582 13.8716 13.8716 k = 0.0000 0.3537-0.0000 ( 1852 PWs) bands (ev): -30.8476 -30.8476 -12.2379 -12.2379 -11.8447 -11.8447 -11.6370 -11.6370 -9.2401 -9.2401 -8.7619 -8.7619 3.2291 3.2291 4.6200 4.6200 5.4489 5.4489 5.5219 5.5219 5.6434 5.6434 6.0099 6.0099 7.5773 7.5773 8.5804 8.5804 9.1766 9.1766 9.5552 9.5552 10.1263 10.1263 12.4870 12.4870 13.8982 13.8982 k = 0.0000 0.3659-0.0000 ( 1852 PWs) bands (ev): -30.8474 -30.8474 -12.2450 -12.2450 -11.8466 -11.8466 -11.6367 -11.6367 -9.2144 -9.2144 -8.7686 -8.7686 3.1921 3.1921 4.6410 4.6410 5.4133 5.4133 5.4771 5.4771 5.6357 5.6357 5.9898 5.9898 7.5897 7.5897 8.5819 8.5819 9.2086 9.2086 9.5865 9.5865 10.1417 10.1417 12.5127 12.5127 13.9233 13.9233 k = 0.0000 0.3780-0.0000 ( 1856 PWs) bands (ev): -30.8472 -30.8472 -12.2517 -12.2517 -11.8484 -11.8484 -11.6364 -11.6364 -9.1892 -9.1892 -8.7760 -8.7760 3.1579 3.1579 4.6625 4.6625 5.3805 5.3805 5.4335 5.4335 5.6288 5.6288 5.9711 5.9711 7.6012 7.6012 8.5834 8.5834 9.2381 9.2381 9.6155 9.6155 10.1558 10.1558 12.5354 12.5354 13.9469 13.9469 k = 0.0000 0.3902-0.0000 ( 1864 PWs) bands (ev): -30.8470 -30.8470 -12.2579 -12.2579 -11.8499 -11.8499 -11.6362 -11.6362 -9.1648 -9.1648 -8.7841 -8.7841 3.1263 3.1263 4.6846 4.6846 5.3507 5.3507 5.3915 5.3915 5.6225 5.6225 5.9539 5.9539 7.6120 7.6120 8.5846 8.5846 9.2650 9.2650 9.6421 9.6421 10.1684 10.1684 12.5553 12.5553 13.9690 13.9690 k = 0.0000 0.4024-0.0000 ( 1862 PWs) bands (ev): -30.8468 -30.8468 -12.2635 -12.2635 -11.8512 -11.8512 -11.6360 -11.6360 -9.1411 -9.1411 -8.7929 -8.7929 3.0978 3.0978 4.7069 4.7069 5.3238 5.3238 5.3512 5.3512 5.6169 5.6169 5.9384 5.9384 7.6218 7.6218 8.5859 8.5859 9.2894 9.2894 9.6664 9.6664 10.1797 10.1797 12.5724 12.5724 13.9898 13.9898 k = 0.0000 0.4146-0.0000 ( 1862 PWs) bands (ev): -30.8467 -30.8467 -12.2686 -12.2686 -11.8524 -11.8524 -11.6357 -11.6357 -9.1185 -9.1185 -8.8023 -8.8023 3.0723 3.0723 4.7294 4.7294 5.2998 5.2998 5.3130 5.3130 5.6119 5.6119 5.9246 5.9246 7.6307 7.6307 8.5870 8.5870 9.3111 9.3111 9.6880 9.6880 10.1898 10.1898 12.5869 12.5869 14.0088 14.0088 k = 0.0000 0.4268-0.0000 ( 1862 PWs) bands (ev): -30.8465 -30.8465 -12.2730 -12.2730 -11.8533 -11.8533 -11.6356 -11.6356 -9.0971 -9.0971 -8.8120 -8.8120 3.0500 3.0500 4.7517 4.7517 5.2751 5.2751 5.2808 5.2808 5.6077 5.6077 5.9125 5.9125 7.6385 7.6385 8.5880 8.5880 9.3299 9.3299 9.7069 9.7069 10.1985 10.1985 12.5990 12.5990 14.0260 14.0260 k = 0.0000 0.4390-0.0000 ( 1862 PWs) bands (ev): -30.8464 -30.8464 -12.2769 -12.2769 -11.8541 -11.8541 -11.6354 -11.6354 -9.0773 -9.0773 -8.8219 -8.8219 3.0309 3.0309 4.7734 4.7734 5.2426 5.2426 5.2623 5.2623 5.6041 5.6041 5.9021 5.9021 7.6452 7.6452 8.5888 8.5888 9.3460 9.3460 9.7230 9.7230 10.2059 10.2059 12.6088 12.6088 14.0409 14.0409 k = 0.0000 0.4512-0.0000 ( 1864 PWs) bands (ev): -30.8463 -30.8463 -12.2801 -12.2801 -11.8548 -11.8548 -11.6353 -11.6353 -9.0595 -9.0595 -8.8315 -8.8315 3.0152 3.0152 4.7938 4.7938 5.2126 5.2126 5.2477 5.2477 5.6012 5.6012 5.8936 5.8936 7.6507 7.6507 8.5895 8.5895 9.3592 9.3592 9.7363 9.7363 10.2120 10.2120 12.6166 12.6166 14.0532 14.0534 k = 0.0000 0.4634-0.0000 ( 1860 PWs) bands (ev): -30.8462 -30.8462 -12.2825 -12.2825 -11.8553 -11.8553 -11.6351 -11.6351 -9.0442 -9.0442 -8.8403 -8.8403 3.0029 3.0029 4.8120 4.8120 5.1869 5.1869 5.2364 5.2364 5.5989 5.5989 5.8869 5.8869 7.6551 7.6551 8.5900 8.5900 9.3695 9.3695 9.7467 9.7467 10.2168 10.2168 12.6225 12.6225 14.0624 14.0624 k = 0.0000 0.4756-0.0000 ( 1856 PWs) bands (ev): -30.8462 -30.8462 -12.2843 -12.2843 -11.8556 -11.8556 -11.6350 -11.6350 -9.0322 -9.0322 -8.8477 -8.8477 2.9941 2.9941 4.8267 4.8267 5.1668 5.1668 5.2284 5.2284 5.5973 5.5973 5.8822 5.8822 7.6582 7.6582 8.5904 8.5904 9.3769 9.3769 9.7543 9.7543 10.2202 10.2202 12.6266 12.6266 14.0674 14.0677 k = 0.0000 0.4878-0.0000 ( 1856 PWs) bands (ev): -30.8461 -30.8461 -12.2854 -12.2854 -11.8558 -11.8558 -11.6350 -11.6350 -9.0245 -9.0245 -8.8526 -8.8526 2.9888 2.9888 4.8365 4.8365 5.1539 5.1539 5.2235 5.2235 5.5964 5.5964 5.8793 5.8793 7.6601 7.6601 8.5906 8.5906 9.3814 9.3814 9.7588 9.7588 10.2222 10.2222 12.6290 12.6290 14.0683 14.0692 k = 0.0000 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8461 -30.8461 -12.2857 -12.2857 -11.8559 -11.8559 -11.6349 -11.6349 -9.0218 -9.0218 -8.8544 -8.8544 2.9871 2.9871 4.8399 4.8399 5.1494 5.1494 5.2219 5.2219 5.5961 5.5961 5.8783 5.8783 7.6607 7.6607 8.5907 8.5907 9.3828 9.3828 9.7603 9.7603 10.2229 10.2229 12.6298 12.6298 14.0682 14.0684 k = 0.0000 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8461 -30.8461 -12.2857 -12.2857 -11.8559 -11.8559 -11.6349 -11.6349 -9.0218 -9.0218 -8.8544 -8.8544 2.9871 2.9871 4.8399 4.8399 5.1494 5.1494 5.2219 5.2219 5.5961 5.5961 5.8783 5.8783 7.6607 7.6607 8.5907 8.5907 9.3828 9.3828 9.7603 9.7603 10.2229 10.2229 12.6298 12.6298 14.0682 14.0692 k = 0.0122 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8461 -30.8461 -12.2857 -12.2857 -11.8562 -11.8562 -11.6351 -11.6351 -9.0211 -9.0211 -8.8540 -8.8540 2.9864 2.9864 4.8363 4.8363 5.0920 5.0920 5.2794 5.2794 5.5956 5.5956 5.8771 5.8771 7.6607 7.6607 8.5926 8.5926 9.3826 9.3826 9.7602 9.7602 10.2279 10.2279 12.6316 12.6316 14.0688 14.0688 k = 0.0244 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8461 -30.8461 -12.2857 -12.2857 -11.8572 -11.8572 -11.6354 -11.6354 -9.0190 -9.0190 -8.8529 -8.8529 2.9844 2.9844 4.8255 4.8255 5.0095 5.0095 5.3622 5.3622 5.5942 5.5942 5.8736 5.8736 7.6604 7.6604 8.5982 8.5982 9.3817 9.3817 9.7600 9.7600 10.2428 10.2428 12.6371 12.6371 14.0701 14.0701 k = 0.0366 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8460 -30.8460 -12.2856 -12.2856 -11.8589 -11.8589 -11.6359 -11.6359 -9.0156 -9.0156 -8.8511 -8.8511 2.9811 2.9811 4.8077 4.8077 4.9251 4.9251 5.4471 5.4471 5.5920 5.5920 5.8678 5.8678 7.6601 7.6601 8.6075 8.6075 9.3804 9.3804 9.7596 9.7596 10.2675 10.2675 12.6462 12.6462 14.0717 14.0717 k = 0.0488 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8460 -30.8460 -12.2856 -12.2856 -11.8613 -11.8613 -11.6367 -11.6367 -9.0108 -9.0108 -8.8486 -8.8486 2.9765 2.9765 4.7833 4.7833 4.8406 4.8406 5.5313 5.5313 5.5897 5.5897 5.8597 5.8597 7.6595 7.6595 8.6204 8.6204 9.3785 9.3785 9.7590 9.7590 10.3016 10.3016 12.6590 12.6590 14.0735 14.0735 k = 0.0610 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8459 -30.8459 -12.2855 -12.2855 -11.8643 -11.8643 -11.6376 -11.6376 -9.0048 -9.0048 -8.8453 -8.8453 2.9704 2.9704 4.7527 4.7527 4.7566 4.7566 5.5806 5.5806 5.6213 5.6213 5.8495 5.8495 7.6588 7.6588 8.6366 8.6366 9.3762 9.3762 9.7583 9.7583 10.3446 10.3446 12.6753 12.6753 14.0754 14.0754 k = 0.0732 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8458 -30.8458 -12.2854 -12.2854 -11.8679 -11.8679 -11.6387 -11.6387 -8.9975 -8.9975 -8.8414 -8.8414 2.9629 2.9629 4.6730 4.6730 4.7166 4.7166 5.5773 5.5773 5.7039 5.7039 5.8374 5.8374 7.6579 7.6579 8.6563 8.6563 9.3735 9.3735 9.7574 9.7574 10.3962 10.3962 12.6952 12.6952 14.0776 14.0776 k = 0.0854 0.5000-0.0000 ( 1862 PWs) bands (ev): -30.8456 -30.8456 -12.2853 -12.2853 -11.8723 -11.8723 -11.6399 -11.6399 -8.9889 -8.9889 -8.8368 -8.8368 2.9539 2.9539 4.5904 4.5904 4.6754 4.6754 5.5715 5.5715 5.7868 5.7868 5.8242 5.8242 7.6569 7.6569 8.6791 8.6791 9.3704 9.3704 9.7564 9.7564 10.4554 10.4554 12.7185 12.7185 14.0799 14.0799 k = 0.0976 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8455 -30.8455 -12.2852 -12.2852 -11.8772 -11.8772 -11.6411 -11.6411 -8.9793 -8.9793 -8.8315 -8.8315 2.9434 2.9434 4.5088 4.5088 4.6300 4.6300 5.5646 5.5646 5.8066 5.8066 5.8717 5.8717 7.6557 7.6557 8.7048 8.7048 9.3673 9.3673 9.7553 9.7553 10.5220 10.5220 12.7454 12.7454 14.0826 14.0826 k = 0.1098 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8453 -30.8453 -12.2852 -12.2852 -11.8827 -11.8827 -11.6424 -11.6424 -8.9686 -8.9686 -8.8257 -8.8257 2.9312 2.9312 4.4283 4.4283 4.5809 4.5809 5.5570 5.5570 5.7897 5.7897 5.9533 5.9533 7.6543 7.6543 8.7332 8.7332 9.3639 9.3639 9.7540 9.7540 10.5951 10.5951 12.7757 12.7757 14.0854 14.0854 k = 0.1220 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8452 -30.8452 -12.2851 -12.2851 -11.8888 -11.8888 -11.6436 -11.6436 -8.9569 -8.9569 -8.8192 -8.8192 2.9173 2.9173 4.3490 4.3490 4.5290 4.5290 5.5485 5.5485 5.7711 5.7711 6.0340 6.0340 7.6528 7.6528 8.7641 8.7641 9.3605 9.3605 9.7527 9.7527 10.6739 10.6739 12.8093 12.8093 14.0885 14.0885 k = 0.1341 0.5000-0.0000 ( 1852 PWs) bands (ev): -30.8450 -30.8450 -12.2851 -12.2851 -11.8953 -11.8953 -11.6449 -11.6449 -8.9443 -8.9443 -8.8121 -8.8121 2.9017 2.9017 4.2710 4.2710 4.4749 4.4749 5.5394 5.5394 5.7514 5.7514 6.1134 6.1134 7.6511 7.6511 8.7972 8.7972 9.3572 9.3572 9.7513 9.7513 10.7579 10.7579 12.8462 12.8462 14.0918 14.0918 k = 0.1463 0.5000-0.0000 ( 1852 PWs) bands (ev): -30.8448 -30.8448 -12.2852 -12.2852 -11.9023 -11.9023 -11.6461 -11.6461 -8.9309 -8.9309 -8.8046 -8.8046 2.8842 2.8842 4.1945 4.1945 4.4195 4.4195 5.5296 5.5296 5.7306 5.7306 6.1911 6.1911 7.6493 7.6493 8.8323 8.8323 9.3541 9.3541 9.7497 9.7497 10.8461 10.8461 12.8862 12.8862 14.0953 14.0953 k = 0.1585 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8445 -30.8445 -12.2854 -12.2854 -11.9097 -11.9097 -11.6473 -11.6473 -8.9168 -8.9168 -8.7965 -8.7965 2.8647 2.8647 4.1195 4.1195 4.3633 4.3633 5.5193 5.5193 5.7090 5.7090 6.2671 6.2671 7.6473 7.6473 8.8691 8.8691 9.3514 9.3514 9.7482 9.7482 10.9380 10.9380 12.9293 12.9293 14.0989 14.0989 k = 0.1707 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8443 -30.8443 -12.2856 -12.2856 -11.9175 -11.9175 -11.6484 -11.6484 -8.9020 -8.9020 -8.7880 -8.7880 2.8433 2.8433 4.0461 4.0461 4.3071 4.3071 5.5085 5.5085 5.6867 5.6867 6.3411 6.3411 7.6451 7.6451 8.9073 8.9073 9.3491 9.3491 9.7466 9.7466 11.0328 11.0328 12.9752 12.9752 14.1027 14.1027 k = 0.1829 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8441 -30.8441 -12.2860 -12.2860 -11.9255 -11.9255 -11.6494 -11.6494 -8.8867 -8.8867 -8.7791 -8.7791 2.8199 2.8199 3.9745 3.9745 4.2514 4.2514 5.4973 5.4973 5.6640 5.6640 6.4131 6.4131 7.6429 7.6429 8.9468 8.9468 9.3474 9.3474 9.7450 9.7450 11.1298 11.1298 13.0240 13.0240 14.1066 14.1066 k = 0.1951 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8438 -30.8438 -12.2864 -12.2864 -11.9338 -11.9338 -11.6503 -11.6503 -8.8710 -8.8710 -8.7698 -8.7698 2.7944 2.7944 3.9047 3.9047 4.1969 4.1969 5.4857 5.4857 5.6410 5.6410 6.4827 6.4827 7.6405 7.6405 8.9873 8.9873 9.3464 9.3464 9.7433 9.7433 11.2284 11.2284 13.0754 13.0754 14.1106 14.1106 k = 0.2073 0.5000-0.0000 ( 1860 PWs) bands (ev): -30.8436 -30.8436 -12.2870 -12.2870 -11.9422 -11.9422 -11.6512 -11.6512 -8.8550 -8.8550 -8.7602 -8.7602 2.7668 2.7668 3.8369 3.8369 4.1439 4.1439 5.4738 5.4738 5.6179 5.6179 6.5499 6.5499 7.6381 7.6381 9.0285 9.0285 9.3462 9.3462 9.7416 9.7416 11.3278 11.3278 13.1292 13.1292 14.1146 14.1146 k = 0.2195 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8433 -30.8433 -12.2877 -12.2877 -11.9505 -11.9505 -11.6519 -11.6519 -8.8387 -8.8387 -8.7503 -8.7503 2.7373 2.7373 3.7711 3.7711 4.0930 4.0930 5.4617 5.4617 5.5947 5.5947 6.6145 6.6145 7.6356 7.6356 9.0701 9.0701 9.3470 9.3470 9.7400 9.7400 11.4278 11.4278 13.1854 13.1854 14.1188 14.1188 k = 0.2317 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8430 -30.8430 -12.2886 -12.2886 -11.9589 -11.9589 -11.6525 -11.6525 -8.8223 -8.8223 -8.7402 -8.7402 2.7059 2.7059 3.7074 3.7074 4.0445 4.0445 5.4495 5.4495 5.5717 5.5717 6.6764 6.6764 7.6331 7.6331 9.1119 9.1119 9.3488 9.3488 9.7383 9.7383 11.5274 11.5274 13.2436 13.2436 14.1231 14.1231 k = 0.2439 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8428 -30.8428 -12.2896 -12.2896 -11.9672 -11.9672 -11.6531 -11.6531 -8.8059 -8.8059 -8.7300 -8.7300 2.6727 2.6727 3.6459 3.6459 3.9986 3.9986 5.4373 5.4373 5.5489 5.5489 6.7354 6.7354 7.6305 7.6305 9.1535 9.1535 9.3518 9.3518 9.7367 9.7367 11.6262 11.6262 13.3037 13.3037 14.1273 14.1273 k = 0.2561 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8425 -30.8425 -12.2908 -12.2908 -11.9753 -11.9753 -11.6535 -11.6535 -8.7895 -8.7895 -8.7196 -8.7196 2.6379 2.6379 3.5866 3.5866 3.9556 3.9556 5.4250 5.4250 5.5265 5.5265 6.7914 6.7914 7.6279 7.6279 9.1946 9.1946 9.3559 9.3559 9.7351 9.7351 11.7236 11.7236 13.3653 13.3653 14.1315 14.1315 k = 0.2683 0.5000-0.0000 ( 1854 PWs) bands (ev): -30.8422 -30.8422 -12.2922 -12.2922 -11.9832 -11.9832 -11.6539 -11.6539 -8.7733 -8.7733 -8.7092 -8.7092 2.6019 2.6019 3.5297 3.5297 3.9155 3.9155 5.4129 5.4129 5.5046 5.5046 6.8444 6.8444 7.6253 7.6253 9.2350 9.2350 9.3615 9.3615 9.7336 9.7336 11.8193 11.8193 13.4282 13.4282 14.1358 14.1358 k = 0.2805 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8420 -30.8420 -12.2937 -12.2937 -11.9909 -11.9909 -11.6542 -11.6542 -8.7574 -8.7574 -8.6988 -8.6988 2.5649 2.5649 3.4752 3.4752 3.8784 3.8784 5.4008 5.4008 5.4833 5.4833 6.8943 6.8943 7.6227 7.6227 9.2737 9.2737 9.3689 9.3689 9.7322 9.7322 11.9125 11.9125 13.4920 13.4920 14.1399 14.1399 k = 0.2927 0.5000-0.0000 ( 1858 PWs) bands (ev): -30.8417 -30.8417 -12.2954 -12.2954 -11.9982 -11.9982 -11.6544 -11.6544 -8.7419 -8.7419 -8.6885 -8.6885 2.5272 2.5272 3.4233 3.4233 3.8442 3.8442 5.3890 5.3890 5.4627 5.4627 6.9411 6.9411 7.6201 7.6201 9.3097 9.3097 9.3792 9.3792 9.7309 9.7309 12.0028 12.0028 13.5564 13.5564 14.1440 14.1440 k = 0.3049 0.5000-0.0000 ( 1860 PWs) bands (ev): -30.8415 -30.8415 -12.2972 -12.2972 -12.0052 -12.0052 -11.6546 -11.6546 -8.7268 -8.7268 -8.6783 -8.6783 2.4892 2.4892 3.3739 3.3739 3.8130 3.8130 5.3775 5.3775 5.4428 5.4428 6.9846 6.9846 7.6176 7.6176 9.3404 9.3404 9.3946 9.3946 9.7297 9.7297 12.0900 12.0900 13.6208 13.6208 14.1481 14.1481 k = 0.3171 0.5000-0.0000 ( 1868 PWs) bands (ev): -30.8412 -30.8412 -12.2992 -12.2992 -12.0117 -12.0117 -11.6548 -11.6548 -8.7122 -8.7122 -8.6682 -8.6682 2.4512 2.4512 3.3271 3.3271 3.7845 3.7845 5.3663 5.3663 5.4238 5.4238 7.0250 7.0250 7.6151 7.6151 9.3627 9.3627 9.4178 9.4178 9.7285 9.7285 12.1734 12.1734 13.6851 13.6851 14.1522 14.1522 k = 0.3293 0.5000-0.0000 ( 1864 PWs) bands (ev): -30.8410 -30.8410 -12.3012 -12.3012 -12.0178 -12.0178 -11.6548 -11.6548 -8.6983 -8.6983 -8.6584 -8.6584 2.4137 2.4137 3.2830 3.2830 3.7588 3.7588 5.3555 5.3555 5.4058 5.4058 7.0622 7.0622 7.6128 7.6128 9.3782 9.3782 9.4471 9.4471 9.7276 9.7276 12.2529 12.2529 13.7486 13.7486 14.1562 14.1562 k = 0.3415 0.5000-0.0000 ( 1864 PWs) bands (ev): -30.8407 -30.8407 -12.3034 -12.3034 -12.0235 -12.0235 -11.6549 -11.6549 -8.6851 -8.6851 -8.6488 -8.6488 2.3770 2.3770 3.2417 3.2417 3.7356 3.7356 5.3453 5.3453 5.3888 5.3888 7.0964 7.0964 7.6106 7.6106 9.3906 9.3906 9.4782 9.4782 9.7268 9.7268 12.3280 12.3280 13.8108 13.8108 14.1600 14.1600 k = 0.3537 0.5000-0.0000 ( 1872 PWs) bands (ev): -30.8405 -30.8405 -12.3056 -12.3056 -12.0287 -12.0287 -11.6549 -11.6549 -8.6727 -8.6727 -8.6396 -8.6396 2.3415 2.3415 3.2032 3.2032 3.7147 3.7147 5.3355 5.3355 5.3727 5.3727 7.1274 7.1274 7.6084 7.6084 9.4017 9.4017 9.5089 9.5089 9.7262 9.7262 12.3984 12.3984 13.8712 13.8712 14.1637 14.1637 k = 0.3659 0.5000-0.0000 ( 1870 PWs) bands (ev): -30.8403 -30.8403 -12.3078 -12.3078 -12.0335 -12.0335 -11.6548 -11.6548 -8.6611 -8.6611 -8.6308 -8.6308 2.3075 2.3075 3.1676 3.1676 3.6961 3.6961 5.3262 5.3262 5.3579 5.3579 7.1555 7.1555 7.6064 7.6064 9.4124 9.4124 9.5382 9.5382 9.7258 9.7258 12.4640 12.4640 13.9292 13.9292 14.1672 14.1672 k = 0.3780 0.5000-0.0000 ( 1868 PWs) bands (ev): -30.8401 -30.8401 -12.3100 -12.3100 -12.0377 -12.0377 -11.6548 -11.6548 -8.6505 -8.6505 -8.6223 -8.6223 2.2753 2.2753 3.1349 3.1349 3.6797 3.6797 5.3176 5.3176 5.3442 5.3442 7.1808 7.1808 7.6045 7.6045 9.4226 9.4226 9.5658 9.5658 9.7258 9.7258 12.5244 12.5244 13.9843 13.9843 14.1706 14.1706 k = 0.3902 0.5000-0.0000 ( 1868 PWs) bands (ev): -30.8399 -30.8399 -12.3121 -12.3121 -12.0415 -12.0415 -11.6547 -11.6547 -8.6408 -8.6408 -8.6144 -8.6144 2.2453 2.2453 3.1052 3.1052 3.6652 3.6652 5.3096 5.3096 5.3317 5.3317 7.2032 7.2032 7.6028 7.6028 9.4324 9.4324 9.5909 9.5909 9.7261 9.7261 12.5795 12.5795 14.0360 14.0360 14.1738 14.1738 k = 0.4024 0.5000-0.0000 ( 1872 PWs) bands (ev): -30.8398 -30.8398 -12.3142 -12.3142 -12.0449 -12.0449 -11.6547 -11.6547 -8.6321 -8.6321 -8.6071 -8.6071 2.2178 2.2178 3.0785 3.0785 3.6525 3.6525 5.3023 5.3023 5.3205 5.3205 7.2228 7.2228 7.6012 7.6012 9.4416 9.4416 9.6133 9.6133 9.7268 9.7268 12.6291 12.6291 14.0835 14.0835 14.1767 14.1767 k = 0.4146 0.5000-0.0000 ( 1872 PWs) bands (ev): -30.8396 -30.8396 -12.3161 -12.3161 -12.0478 -12.0478 -11.6546 -11.6546 -8.6245 -8.6245 -8.6003 -8.6003 2.1929 2.1929 3.0548 3.0548 3.6416 3.6416 5.2957 5.2957 5.3106 5.3106 7.2400 7.2400 7.5998 7.5998 9.4502 9.4502 9.6329 9.6329 9.7282 9.7282 12.6731 12.6731 14.1267 14.1267 14.1794 14.1794 k = 0.4268 0.5000-0.0000 ( 1872 PWs) bands (ev): -30.8395 -30.8395 -12.3178 -12.3178 -12.0503 -12.0503 -11.6545 -11.6545 -8.6179 -8.6179 -8.5943 -8.5943 2.1709 2.1709 3.0342 3.0342 3.6323 3.6323 5.2897 5.2897 5.3022 5.3022 7.2546 7.2546 7.5986 7.5986 9.4580 9.4580 9.6492 9.6492 9.7302 9.7302 12.7115 12.7115 14.1648 14.1648 14.1818 14.1818 k = 0.4390 0.5000-0.0000 ( 1872 PWs) bands (ev): -30.8394 -30.8394 -12.3193 -12.3193 -12.0524 -12.0524 -11.6545 -11.6545 -8.6123 -8.6123 -8.5891 -8.5891 2.1520 2.1520 3.0167 3.0167 3.6246 3.6246 5.2844 5.2844 5.2951 5.2951 7.2667 7.2667 7.5975 7.5975 9.4649 9.4649 9.6623 9.6623 9.7329 9.7329 12.7440 12.7440 14.1839 14.1839 14.1977 14.1977 k = 0.4512 0.5000-0.0000 ( 1876 PWs) bands (ev): -30.8393 -30.8393 -12.3206 -12.3206 -12.0541 -12.0541 -11.6544 -11.6544 -8.6078 -8.6078 -8.5847 -8.5847 2.1362 2.1362 3.0024 3.0024 3.6184 3.6184 5.2799 5.2799 5.2895 5.2895 7.2766 7.2766 7.5966 7.5966 9.4706 9.4706 9.6720 9.6720 9.7362 9.7362 12.7707 12.7707 14.1856 14.1856 14.2249 14.2250 k = 0.4634 0.5000-0.0000 ( 1884 PWs) bands (ev): -30.8393 -30.8393 -12.3217 -12.3217 -12.0555 -12.0555 -11.6544 -11.6544 -8.6043 -8.6043 -8.5813 -8.5813 2.1239 2.1239 2.9912 2.9912 3.6136 3.6136 5.2763 5.2763 5.2852 5.2852 7.2842 7.2842 7.5959 7.5959 9.4751 9.4751 9.6787 9.6787 9.7396 9.7396 12.7914 12.7914 14.1870 14.1870 14.2464 14.2464 k = 0.4756 0.5000-0.0000 ( 1900 PWs) bands (ev): -30.8392 -30.8392 -12.3225 -12.3225 -12.0565 -12.0565 -11.6544 -11.6544 -8.6018 -8.6018 -8.5788 -8.5788 2.1150 2.1150 2.9832 2.9832 3.6101 3.6101 5.2735 5.2735 5.2822 5.2822 7.2895 7.2895 7.5954 7.5954 9.4784 9.4784 9.6829 9.6829 9.7426 9.7426 12.8061 12.8061 14.1879 14.1879 14.2617 14.2617 k = 0.4878 0.5000-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3230 -12.3230 -12.0570 -12.0570 -11.6544 -11.6544 -8.6003 -8.6003 -8.5772 -8.5772 2.1096 2.1096 2.9784 2.9784 3.6081 3.6081 5.2718 5.2718 5.2805 5.2805 7.2927 7.2927 7.5951 7.5951 9.4804 9.4804 9.6852 9.6852 9.7446 9.7446 12.8150 12.8150 14.1885 14.1885 14.2710 14.2710 k = 0.5000 0.5000-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3232 -12.3232 -12.0572 -12.0572 -11.6544 -11.6544 -8.5998 -8.5998 -8.5767 -8.5767 2.1078 2.1078 2.9768 2.9768 3.6074 3.6074 5.2712 5.2712 5.2799 5.2799 7.2938 7.2938 7.5950 7.5950 9.4811 9.4811 9.6860 9.6860 9.7453 9.7453 12.8180 12.8180 14.1888 14.1888 14.2741 14.2741 k = 0.5000 0.5000-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3232 -12.3232 -12.0572 -12.0572 -11.6544 -11.6544 -8.5998 -8.5998 -8.5767 -8.5767 2.1078 2.1078 2.9768 2.9768 3.6074 3.6074 5.2712 5.2712 5.2799 5.2799 7.2938 7.2938 7.5950 7.5950 9.4811 9.4811 9.6860 9.6860 9.7453 9.7453 12.8180 12.8180 14.1888 14.1888 14.2741 14.2741 k = 0.4914 0.4914-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3230 -12.3230 -12.0570 -12.0570 -11.6544 -11.6544 -8.6003 -8.6003 -8.5772 -8.5772 2.1096 2.1096 2.9784 2.9784 3.6081 3.6081 5.2718 5.2718 5.2805 5.2805 7.2927 7.2927 7.5951 7.5951 9.4804 9.4804 9.6852 9.6852 9.7446 9.7446 12.8150 12.8150 14.1885 14.1885 14.2710 14.2710 k = 0.4828 0.4828-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3225 -12.3225 -12.0565 -12.0565 -11.6545 -11.6545 -8.6019 -8.6019 -8.5787 -8.5787 2.1150 2.1150 2.9832 2.9832 3.6101 3.6101 5.2735 5.2735 5.2822 5.2822 7.2895 7.2895 7.5954 7.5954 9.4784 9.4784 9.6830 9.6830 9.7424 9.7424 12.8061 12.8061 14.1879 14.1879 14.2617 14.2617 k = 0.4741 0.4741-0.0000 ( 1880 PWs) bands (ev): -30.8392 -30.8392 -12.3216 -12.3216 -12.0554 -12.0554 -11.6544 -11.6544 -8.6048 -8.6048 -8.5808 -8.5808 2.1239 2.1239 2.9912 2.9912 3.6135 3.6135 5.2762 5.2762 5.2853 5.2853 7.2843 7.2843 7.5959 7.5959 9.4751 9.4751 9.6795 9.6795 9.7389 9.7389 12.7916 12.7916 14.1870 14.1870 14.2463 14.2463 k = 0.4655 0.4655-0.0000 ( 1872 PWs) bands (ev): -30.8393 -30.8393 -12.3205 -12.3205 -12.0541 -12.0541 -11.6544 -11.6544 -8.6093 -8.6093 -8.5832 -8.5832 2.1364 2.1364 3.0025 3.0025 3.6183 3.6183 5.2798 5.2798 5.2897 5.2897 7.2769 7.2769 7.5966 7.5966 9.4703 9.4703 9.6743 9.6743 9.7340 9.7340 12.7712 12.7712 14.1856 14.1856 14.2248 14.2248 k = 0.4569 0.4569-0.0000 ( 1868 PWs) bands (ev): -30.8394 -30.8394 -12.3191 -12.3191 -12.0525 -12.0525 -11.6545 -11.6545 -8.6158 -8.6158 -8.5857 -8.5857 2.1522 2.1522 3.0169 3.0169 3.6243 3.6243 5.2840 5.2840 5.2957 5.2957 7.2675 7.2675 7.5974 7.5974 9.4641 9.4641 9.6674 9.6674 9.7276 9.7276 12.7453 12.7453 14.1839 14.1839 14.1973 14.1973 k = 0.4483 0.4483-0.0000 ( 1864 PWs) bands (ev): -30.8395 -30.8395 -12.3174 -12.3174 -12.0505 -12.0505 -11.6545 -11.6545 -8.6243 -8.6243 -8.5881 -8.5881 2.1715 2.1715 3.0346 3.0346 3.6316 3.6316 5.2890 5.2890 5.3032 5.3032 7.2562 7.2562 7.5984 7.5984 9.4566 9.4566 9.6590 9.6590 9.7201 9.7201 12.7140 12.7140 14.1640 14.1640 14.1818 14.1818 k = 0.4397 0.4397-0.0000 ( 1864 PWs) bands (ev): -30.8396 -30.8396 -12.3155 -12.3155 -12.0481 -12.0481 -11.6546 -11.6546 -8.6348 -8.6348 -8.5905 -8.5905 2.1940 2.1940 3.0556 3.0556 3.6401 3.6401 5.2946 5.2946 5.3122 5.3122 7.2429 7.2429 7.5994 7.5994 9.4477 9.4477 9.6488 9.6488 9.7114 9.7114 12.6775 12.6775 14.1250 14.1250 14.1795 14.1795 k = 0.4310 0.4310-0.0000 ( 1864 PWs) bands (ev): -30.8398 -30.8398 -12.3132 -12.3132 -12.0454 -12.0454 -11.6547 -11.6547 -8.6472 -8.6472 -8.5928 -8.5928 2.2197 2.2197 3.0798 3.0798 3.6499 3.6499 5.3009 5.3009 5.3228 5.3228 7.2278 7.2278 7.6004 7.6004 9.4375 9.4375 9.6370 9.6370 9.7017 9.7017 12.6362 12.6362 14.0807 14.0807 14.1769 14.1769 k = 0.4224 0.4224-0.0000 ( 1866 PWs) bands (ev): -30.8400 -30.8400 -12.3107 -12.3107 -12.0424 -12.0424 -11.6548 -11.6548 -8.6614 -8.6614 -8.5951 -8.5951 2.2485 2.2485 3.1074 3.1074 3.6609 3.6609 5.3078 5.3078 5.3348 5.3348 7.2110 7.2110 7.6015 7.6015 9.4259 9.4259 9.6234 9.6234 9.6909 9.6909 12.5903 12.5903 14.0313 14.0313 14.1741 14.1741 k = 0.4138 0.4138-0.0000 ( 1860 PWs) bands (ev): -30.8401 -30.8401 -12.3078 -12.3078 -12.0389 -12.0389 -11.6549 -11.6549 -8.6772 -8.6772 -8.5975 -8.5975 2.2803 2.2803 3.1383 3.1383 3.6732 3.6732 5.3155 5.3155 5.3483 5.3483 7.1925 7.1925 7.6025 7.6025 9.4131 9.4131 9.6081 9.6081 9.6793 9.6793 12.5401 12.5401 13.9773 13.9773 14.1712 14.1712 k = 0.4052 0.4052-0.0000 ( 1854 PWs) bands (ev): -30.8403 -30.8403 -12.3046 -12.3046 -12.0351 -12.0351 -11.6550 -11.6550 -8.6946 -8.6946 -8.6000 -8.6000 2.3148 2.3148 3.1726 3.1726 3.6865 3.6865 5.3239 5.3239 5.3632 5.3632 7.1726 7.1726 7.6035 7.6035 9.3990 9.3990 9.5913 9.5913 9.6668 9.6668 12.4860 12.4860 13.9190 13.9190 14.1683 14.1683 k = 0.3966 0.3966-0.0000 ( 1854 PWs) bands (ev): -30.8406 -30.8406 -12.3013 -12.3013 -12.0311 -12.0311 -11.6551 -11.6551 -8.7135 -8.7135 -8.6027 -8.6027 2.3520 2.3520 3.2102 3.2102 3.7010 3.7010 5.3330 5.3330 5.3794 5.3794 7.1512 7.1512 7.6043 7.6043 9.3835 9.3835 9.5727 9.5727 9.6534 9.6534 12.4281 12.4281 13.8568 13.8568 14.1652 14.1652 k = 0.3879 0.3879-0.0000 ( 1858 PWs) bands (ev): -30.8408 -30.8408 -12.2976 -12.2976 -12.0266 -12.0266 -11.6552 -11.6552 -8.7339 -8.7339 -8.6055 -8.6055 2.3917 2.3917 3.2513 3.2513 3.7165 3.7165 5.3426 5.3426 5.3971 5.3971 7.1285 7.1285 7.6049 7.6049 9.3668 9.3668 9.5525 9.5525 9.6390 9.6390 12.3667 12.3667 13.7913 13.7913 14.1622 14.1622 k = 0.3793 0.3793-0.0000 ( 1864 PWs) bands (ev): -30.8411 -30.8411 -12.2937 -12.2937 -12.0219 -12.0219 -11.6553 -11.6553 -8.7555 -8.7555 -8.6084 -8.6084 2.4337 2.4337 3.2958 3.2958 3.7331 3.7331 5.3530 5.3530 5.4161 5.4161 7.1048 7.1048 7.6052 7.6052 9.3488 9.3488 9.5308 9.5308 9.6238 9.6238 12.3022 12.3022 13.7230 13.7230 14.1594 14.1594 k = 0.3707 0.3707-0.0000 ( 1862 PWs) bands (ev): -30.8413 -30.8413 -12.2895 -12.2895 -12.0168 -12.0168 -11.6555 -11.6555 -8.7785 -8.7785 -8.6115 -8.6115 2.4778 2.4778 3.3439 3.3439 3.7506 3.7506 5.3639 5.3639 5.4364 5.4364 7.0800 7.0800 7.6053 7.6053 9.3298 9.3298 9.5080 9.5080 9.6078 9.6078 12.2347 12.2347 13.6523 13.6523 14.1568 14.1568 k = 0.3621 0.3621-0.0000 ( 1862 PWs) bands (ev): -30.8416 -30.8416 -12.2851 -12.2851 -12.0114 -12.0114 -11.6555 -11.6555 -8.8026 -8.8026 -8.6148 -8.6148 2.5239 2.5239 3.3954 3.3954 3.7691 3.7691 5.3755 5.3755 5.4580 5.4580 7.0544 7.0544 7.6049 7.6049 9.3094 9.3094 9.4838 9.4838 9.5909 9.5909 12.1647 12.1647 13.5798 13.5798 14.1543 14.1543 k = 0.3534 0.3534-0.0000 ( 1858 PWs) bands (ev): -30.8419 -30.8419 -12.2804 -12.2804 -12.0057 -12.0057 -11.6556 -11.6556 -8.8277 -8.8277 -8.6182 -8.6182 2.5717 2.5717 3.4504 3.4504 3.7884 3.7884 5.3876 5.3876 5.4808 5.4808 7.0282 7.0282 7.6042 7.6042 9.2878 9.2878 9.4585 9.4585 9.5731 9.5731 12.0922 12.0922 13.5060 13.5060 14.1523 14.1523 k = 0.3448 0.3448-0.0000 ( 1854 PWs) bands (ev): -30.8422 -30.8422 -12.2755 -12.2755 -11.9997 -11.9997 -11.6556 -11.6556 -8.8539 -8.8539 -8.6218 -8.6218 2.6212 2.6212 3.5089 3.5089 3.8086 3.8086 5.4003 5.4003 5.5050 5.5050 7.0015 7.0015 7.6030 7.6030 9.2651 9.2651 9.4322 9.4322 9.5544 9.5544 12.0176 12.0176 13.4312 13.4312 14.1507 14.1507 k = 0.3362 0.3362-0.0000 ( 1858 PWs) bands (ev): -30.8426 -30.8426 -12.2704 -12.2704 -11.9934 -11.9934 -11.6557 -11.6557 -8.8811 -8.8811 -8.6255 -8.6255 2.6721 2.6721 3.5709 3.5709 3.8294 3.8294 5.4135 5.4135 5.5303 5.5303 6.9745 6.9745 7.6012 7.6012 9.2412 9.2412 9.4049 9.4049 9.5347 9.5347 11.9409 11.9409 13.3559 13.3559 14.1495 14.1495 k = 0.3276 0.3276-0.0000 ( 1858 PWs) bands (ev): -30.8429 -30.8429 -12.2651 -12.2651 -11.9868 -11.9868 -11.6557 -11.6557 -8.9091 -8.9091 -8.6293 -8.6293 2.7242 2.7242 3.6363 3.6363 3.8508 3.8508 5.4272 5.4272 5.5568 5.5568 6.9473 6.9473 7.5988 7.5988 9.2162 9.2162 9.3768 9.3768 9.5142 9.5142 11.8624 11.8624 13.2805 13.2805 14.1489 14.1489 k = 0.3190 0.3190-0.0000 ( 1859 PWs) bands (ev): -30.8432 -30.8432 -12.2596 -12.2596 -11.9800 -11.9800 -11.6557 -11.6557 -8.9378 -8.9378 -8.6333 -8.6333 2.7774 2.7774 3.7052 3.7052 3.8728 3.8728 5.4413 5.4413 5.5844 5.5844 6.9202 6.9202 7.5959 7.5959 9.1903 9.1903 9.3479 9.3479 9.4927 9.4927 11.7824 11.7824 13.2053 13.2053 14.1489 14.1489 k = 0.3103 0.3103-0.0000 ( 1859 PWs) bands (ev): -30.8436 -30.8436 -12.2539 -12.2539 -11.9729 -11.9729 -11.6557 -11.6557 -8.9672 -8.9672 -8.6374 -8.6374 2.8316 2.8316 3.7774 3.7774 3.8952 3.8952 5.4558 5.4558 5.6132 5.6132 6.8933 6.8933 7.5922 7.5922 9.1632 9.1632 9.3184 9.3184 9.4704 9.4704 11.7009 11.7009 13.1305 13.1305 14.1495 14.1495 k = 0.3017 0.3017-0.0000 ( 1861 PWs) bands (ev): -30.8440 -30.8440 -12.2480 -12.2480 -11.9655 -11.9655 -11.6556 -11.6556 -8.9973 -8.9973 -8.6416 -8.6416 2.8865 2.8865 3.8528 3.8528 3.9180 3.9180 5.4706 5.4706 5.6431 5.6431 6.8669 6.8669 7.5877 7.5877 9.1353 9.1353 9.2884 9.2884 9.4471 9.4471 11.6181 11.6181 13.0565 13.0565 14.1507 14.1507 k = 0.2931 0.2931-0.0000 ( 1857 PWs) bands (ev): -30.8443 -30.8443 -12.2419 -12.2419 -11.9579 -11.9579 -11.6555 -11.6555 -9.0278 -9.0278 -8.6460 -8.6460 2.9421 2.9421 3.9308 3.9308 3.9418 3.9418 5.4858 5.4858 5.6740 5.6740 6.8411 6.8411 7.5826 7.5826 9.1064 9.1064 9.2580 9.2580 9.4231 9.4231 11.5342 11.5342 12.9834 12.9834 14.1524 14.1524 k = 0.2845 0.2845-0.0000 ( 1857 PWs) bands (ev): -30.8447 -30.8447 -12.2357 -12.2357 -11.9502 -11.9502 -11.6554 -11.6554 -9.0588 -9.0588 -8.6504 -8.6504 2.9982 2.9982 3.9639 3.9639 4.0136 4.0136 5.5013 5.5013 5.7059 5.7059 6.8161 6.8161 7.5767 7.5767 9.0765 9.0765 9.2272 9.2272 9.3981 9.3981 11.4494 11.4494 12.9114 12.9114 14.1543 14.1543 k = 0.2759 0.2759-0.0000 ( 1857 PWs) bands (ev): -30.8451 -30.8451 -12.2293 -12.2293 -11.9422 -11.9422 -11.6553 -11.6553 -9.0901 -9.0901 -8.6549 -8.6549 3.0548 3.0548 3.9872 3.9872 4.0981 4.0981 5.5170 5.5170 5.7387 5.7387 6.7921 6.7921 7.5699 7.5699 9.0459 9.0459 9.1961 9.1961 9.3723 9.3723 11.3639 11.3639 12.8407 12.8407 14.1558 14.1558 k = 0.2672 0.2672-0.0000 ( 1857 PWs) bands (ev): -30.8455 -30.8455 -12.2229 -12.2229 -11.9340 -11.9340 -11.6551 -11.6551 -9.1217 -9.1217 -8.6595 -8.6595 3.1116 3.1116 4.0104 4.0104 4.1856 4.1856 5.5329 5.5329 5.7724 5.7724 6.7693 6.7693 7.5625 7.5625 9.0144 9.0144 9.1649 9.1649 9.3457 9.3457 11.2776 11.2776 12.7714 12.7714 14.1557 14.1557 k = 0.2586 0.2586-0.0000 ( 1861 PWs) bands (ev): -30.8459 -30.8459 -12.2163 -12.2163 -11.9257 -11.9257 -11.6549 -11.6549 -9.1534 -9.1534 -8.6641 -8.6641 3.1685 3.1685 4.0333 4.0333 4.2757 4.2757 5.5490 5.5490 5.8070 5.8070 6.7479 6.7479 7.5542 7.5542 8.9821 8.9821 9.1336 9.1336 9.3182 9.3182 11.1908 11.1908 12.7035 12.7035 14.1509 14.1509 k = 0.2500 0.2500-0.0000 ( 1857 PWs) bands (ev): -30.8462 -30.8462 -12.2096 -12.2096 -11.9172 -11.9172 -11.6546 -11.6546 -9.1853 -9.1853 -8.6688 -8.6688 3.2255 3.2255 4.0559 4.0559 4.3683 4.3683 5.5652 5.5652 5.8424 5.8424 6.7280 6.7280 7.5452 7.5452 8.9490 8.9490 9.1024 9.1024 9.2901 9.2901 11.1038 11.1038 12.6372 12.6372 14.1355 14.1355 k = 0.2414 0.2414-0.0000 ( 1861 PWs) bands (ev): -30.8466 -30.8466 -12.2030 -12.2030 -11.9087 -11.9087 -11.6542 -11.6542 -9.2171 -9.2171 -8.6735 -8.6735 3.2825 3.2825 4.0781 4.0781 4.4632 4.4632 5.5814 5.5814 5.8785 5.8785 6.7099 6.7099 7.5354 7.5354 8.9152 8.9152 9.0712 9.0712 9.2612 9.2612 11.0164 11.0164 12.5724 12.5724 14.1020 14.1020 k = 0.2328 0.2328-0.0000 ( 1861 PWs) bands (ev): -30.8470 -30.8470 -12.1962 -12.1962 -11.9000 -11.9000 -11.6539 -11.6539 -9.2489 -9.2489 -8.6783 -8.6783 3.3393 3.3393 4.0997 4.0997 4.5602 4.5602 5.5977 5.5977 5.9153 5.9153 6.6937 6.6937 7.5249 7.5249 8.8808 8.8808 9.0402 9.0402 9.2316 9.2316 10.9290 10.9290 12.5091 12.5091 14.0516 14.0516 k = 0.2241 0.2241-0.0000 ( 1865 PWs) bands (ev): -30.8474 -30.8474 -12.1894 -12.1894 -11.8913 -11.8913 -11.6534 -11.6534 -9.2805 -9.2805 -8.6830 -8.6830 3.3958 3.3958 4.1207 4.1207 4.6591 4.6591 5.6140 5.6140 5.9526 5.9526 6.6795 6.6795 7.5138 7.5138 8.8458 8.8458 9.0094 9.0094 9.2014 9.2014 10.8415 10.8415 12.4475 12.4475 13.9910 13.9910 k = 0.2155 0.2155-0.0000 ( 1865 PWs) bands (ev): -30.8478 -30.8478 -12.1826 -12.1826 -11.8825 -11.8825 -11.6529 -11.6529 -9.3119 -9.3119 -8.6878 -8.6878 3.4520 3.4520 4.1409 4.1409 4.7597 4.7597 5.6301 5.6301 5.9905 5.9905 6.6675 6.6675 7.5020 7.5020 8.8101 8.8101 8.9791 8.9791 9.1707 9.1707 10.7544 10.7544 12.3875 12.3875 13.9254 13.9254 k = 0.2069 0.2069-0.0000 ( 1861 PWs) bands (ev): -30.8482 -30.8482 -12.1758 -12.1758 -11.8736 -11.8736 -11.6524 -11.6524 -9.3429 -9.3429 -8.6925 -8.6925 3.5076 3.5076 4.1602 4.1602 4.8618 4.8618 5.6462 5.6462 6.0289 6.0289 6.6578 6.6578 7.4897 7.4897 8.7739 8.7739 8.9492 8.9492 9.1394 9.1394 10.6675 10.6675 12.3290 12.3290 13.8572 13.8572 k = 0.1983 0.1983-0.0000 ( 1861 PWs) bands (ev): -30.8485 -30.8485 -12.1691 -12.1691 -11.8648 -11.8648 -11.6518 -11.6518 -9.3735 -9.3735 -8.6972 -8.6972 3.5627 3.5627 4.1786 4.1786 4.9651 4.9651 5.6621 5.6621 6.0676 6.0676 6.6505 6.6505 7.4769 7.4769 8.7371 8.7371 8.9198 8.9198 9.1076 9.1076 10.5812 10.5812 12.2722 12.2722 13.7877 13.7877 k = 0.1897 0.1897-0.0000 ( 1857 PWs) bands (ev): -30.8489 -30.8489 -12.1624 -12.1624 -11.8560 -11.8560 -11.6511 -11.6511 -9.4037 -9.4037 -8.7018 -8.7018 3.6170 3.6170 4.1959 4.1959 5.0695 5.0695 5.6778 5.6778 6.1066 6.1066 6.6456 6.6456 7.4637 7.4637 8.6997 8.6997 8.8910 8.8910 9.0756 9.0756 10.4956 10.4956 12.2170 12.2170 13.7175 13.7176 k = 0.1810 0.1810-0.0000 ( 1859 PWs) bands (ev): -30.8493 -30.8493 -12.1558 -12.1558 -11.8472 -11.8472 -11.6504 -11.6504 -9.4333 -9.4333 -8.7064 -8.7064 3.6704 3.6704 4.2121 4.2121 5.1746 5.1746 5.6932 5.6932 6.1457 6.1457 6.6433 6.6433 7.4501 7.4501 8.6618 8.6618 8.8628 8.8628 9.0431 9.0431 10.4108 10.4108 12.1633 12.1633 13.6472 13.6472 k = 0.1724 0.1724-0.0000 ( 1861 PWs) bands (ev): -30.8496 -30.8496 -12.1494 -12.1494 -11.8386 -11.8386 -11.6497 -11.6497 -9.4622 -9.4622 -8.7109 -8.7109 3.7227 3.7227 4.2271 4.2271 5.2802 5.2802 5.7084 5.7084 6.1849 6.1849 6.6434 6.6434 7.4363 7.4363 8.6234 8.6234 8.8352 8.8352 9.0105 9.0105 10.3271 10.3271 12.1113 12.1113 13.5771 13.5771 k = 0.1638 0.1638-0.0000 ( 1861 PWs) bands (ev): -30.8500 -30.8500 -12.1430 -12.1430 -11.8300 -11.8300 -11.6490 -11.6490 -9.4904 -9.4904 -8.7153 -8.7153 3.7740 3.7740 4.2410 4.2410 5.3861 5.3861 5.7232 5.7232 6.2240 6.2240 6.6460 6.6460 7.4224 7.4224 8.5845 8.5845 8.8086 8.8086 8.9778 8.9778 10.2446 10.2446 12.0608 12.0608 13.5077 13.5077 k = 0.1552 0.1552-0.0000 ( 1861 PWs) bands (ev): -30.8503 -30.8503 -12.1368 -12.1368 -11.8216 -11.8216 -11.6482 -11.6482 -9.5177 -9.5177 -8.7196 -8.7196 3.8239 3.8239 4.2536 4.2536 5.4919 5.4919 5.7376 5.7376 6.2629 6.2629 6.6511 6.6511 7.4083 7.4083 8.5451 8.5451 8.7828 8.7828 8.9451 8.9451 10.1635 10.1635 12.0119 12.0119 13.4391 13.4391 k = 0.1466 0.1466-0.0000 ( 1863 PWs) bands (ev): -30.8506 -30.8506 -12.1308 -12.1308 -11.8134 -11.8134 -11.6473 -11.6473 -9.5442 -9.5442 -8.7238 -8.7238 3.8724 3.8724 4.2651 4.2651 5.5973 5.5973 5.7518 5.7518 6.3015 6.3015 6.6584 6.6584 7.3943 7.3943 8.5051 8.5051 8.7579 8.7579 8.9126 8.9126 10.0841 10.0841 11.9647 11.9647 13.3718 13.3718 k = 0.1379 0.1379-0.0000 ( 1863 PWs) bands (ev): -30.8509 -30.8509 -12.1250 -12.1250 -11.8054 -11.8054 -11.6465 -11.6465 -9.5697 -9.5697 -8.7279 -8.7279 3.9193 3.9193 4.2753 4.2753 5.7014 5.7014 5.7661 5.7661 6.3395 6.3395 6.6680 6.6680 7.3804 7.3804 8.4646 8.4646 8.7339 8.7339 8.8804 8.8804 10.0065 10.0065 11.9192 11.9192 13.3060 13.3060 k = 0.1293 0.1293-0.0000 ( 1863 PWs) bands (ev): -30.8512 -30.8512 -12.1194 -12.1194 -11.7976 -11.7976 -11.6456 -11.6456 -9.5942 -9.5942 -8.7317 -8.7317 3.9644 3.9644 4.2845 4.2845 5.7742 5.7742 5.8102 5.8102 6.3770 6.3770 6.6796 6.6796 7.3667 7.3667 8.4237 8.4237 8.7110 8.7110 8.8486 8.8486 9.9311 9.9311 11.8754 11.8754 13.2421 13.2421 k = 0.1207 0.1207-0.0000 ( 1863 PWs) bands (ev): -30.8515 -30.8515 -12.1141 -12.1141 -11.7901 -11.7901 -11.6447 -11.6447 -9.6175 -9.6175 -8.7354 -8.7354 4.0076 4.0076 4.2925 4.2925 5.7887 5.7887 5.9108 5.9108 6.4136 6.4136 6.6929 6.6929 7.3533 7.3533 8.3823 8.3823 8.6891 8.6891 8.8175 8.8175 9.8581 9.8581 11.8334 11.8334 13.1803 13.1803 k = 0.1121 0.1121-0.0000 ( 1867 PWs) bands (ev): -30.8518 -30.8518 -12.1091 -12.1091 -11.7829 -11.7829 -11.6439 -11.6439 -9.6396 -9.6396 -8.7390 -8.7390 4.0486 4.0486 4.2994 4.2994 5.8007 5.8007 6.0117 6.0117 6.4492 6.4492 6.7077 6.7077 7.3404 7.3404 8.3405 8.3405 8.6683 8.6683 8.7872 8.7872 9.7877 9.7877 11.7933 11.7933 13.1211 13.1211 k = 0.1034 0.1034-0.0000 ( 1859 PWs) bands (ev): -30.8520 -30.8520 -12.1043 -12.1043 -11.7761 -11.7761 -11.6429 -11.6429 -9.6604 -9.6604 -8.7423 -8.7423 4.0875 4.0875 4.3055 4.3055 5.8118 5.8118 6.1107 6.1107 6.4836 6.4836 6.7238 6.7238 7.3280 7.3280 8.2983 8.2983 8.6487 8.6487 8.7580 8.7580 9.7206 9.7206 11.7552 11.7552 13.0648 13.0648 k = 0.0948 0.0948-0.0000 ( 1863 PWs) bands (ev): -30.8523 -30.8523 -12.0999 -12.0999 -11.7696 -11.7696 -11.6421 -11.6421 -9.6798 -9.6798 -8.7454 -8.7454 4.1239 4.1239 4.3106 4.3106 5.8221 5.8221 6.2073 6.2073 6.5166 6.5166 6.7408 6.7408 7.3161 7.3161 8.2559 8.2559 8.6301 8.6301 8.7300 8.7300 9.6566 9.6566 11.7193 11.7193 13.0116 13.0116 k = 0.0862 0.0862-0.0000 ( 1859 PWs) bands (ev): -30.8525 -30.8525 -12.0957 -12.0957 -11.7636 -11.7636 -11.6413 -11.6413 -9.6979 -9.6979 -8.7483 -8.7483 4.1577 4.1577 4.3150 4.3150 5.8316 5.8316 6.3008 6.3008 6.5479 6.5479 6.7584 6.7584 7.3049 7.3049 8.2134 8.2134 8.6128 8.6128 8.7036 8.7036 9.5964 9.5964 11.6857 11.6857 12.9619 12.9619 k = 0.0776 0.0776-0.0000 ( 1857 PWs) bands (ev): -30.8527 -30.8527 -12.0919 -12.0919 -11.7580 -11.7580 -11.6404 -11.6404 -9.7144 -9.7144 -8.7509 -8.7509 4.1888 4.1888 4.3186 4.3186 5.8404 5.8404 6.3909 6.3909 6.5773 6.5773 6.7761 6.7761 7.2944 7.2944 8.1711 8.1711 8.5966 8.5966 8.6791 8.6791 9.5402 9.5402 11.6545 11.6545 12.9160 12.9160 k = 0.0690 0.0690-0.0000 ( 1853 PWs) bands (ev): -30.8528 -30.8528 -12.0885 -12.0885 -11.7529 -11.7529 -11.6397 -11.6397 -9.7294 -9.7294 -8.7533 -8.7533 4.2170 4.2170 4.3217 4.3217 5.8483 5.8483 6.4766 6.4766 6.6045 6.6045 6.7936 6.7936 7.2846 7.2846 8.1292 8.1292 8.5816 8.5816 8.6567 8.6567 9.4885 9.4885 11.6260 11.6260 12.8741 12.8741 k = 0.0603 0.0603-0.0000 ( 1853 PWs) bands (ev): -30.8530 -30.8530 -12.0854 -12.0854 -11.7483 -11.7483 -11.6390 -11.6390 -9.7428 -9.7428 -8.7554 -8.7554 4.2421 4.2421 4.3244 4.3244 5.8553 5.8553 6.5571 6.5571 6.6294 6.6294 6.8104 6.8104 7.2757 7.2757 8.0883 8.0883 8.5676 8.5676 8.6366 8.6366 9.4417 9.4417 11.6002 11.6002 12.8365 12.8365 k = 0.0517 0.0517-0.0000 ( 1853 PWs) bands (ev): -30.8531 -30.8531 -12.0828 -12.0828 -11.7443 -11.7443 -11.6384 -11.6384 -9.7545 -9.7545 -8.7573 -8.7573 4.2639 4.2639 4.3267 4.3267 5.8615 5.8615 6.6314 6.6314 6.6518 6.6518 6.8262 6.8262 7.2677 7.2677 8.0490 8.0490 8.5549 8.5549 8.6192 8.6192 9.4000 9.4000 11.5774 11.5774 12.8034 12.8034 k = 0.0431 0.0431-0.0000 ( 1855 PWs) bands (ev): -30.8533 -30.8533 -12.0805 -12.0805 -11.7409 -11.7409 -11.6378 -11.6378 -9.7645 -9.7645 -8.7589 -8.7589 4.2822 4.2822 4.3289 4.3289 5.8667 5.8667 6.6704 6.6704 6.6991 6.6991 6.8407 6.8407 7.2607 7.2607 8.0122 8.0122 8.5435 8.5435 8.6045 8.6045 9.3639 9.3639 11.5577 11.5577 12.7750 12.7750 k = 0.0345 0.0345-0.0000 ( 1849 PWs) bands (ev): -30.8533 -30.8533 -12.0786 -12.0786 -11.7380 -11.7380 -11.6373 -11.6373 -9.7727 -9.7727 -8.7602 -8.7602 4.2967 4.2967 4.3311 4.3311 5.8711 5.8711 6.6867 6.6867 6.7571 6.7571 6.8536 6.8536 7.2546 7.2546 7.9790 7.9790 8.5337 8.5337 8.5926 8.5926 9.3339 9.3339 11.5414 11.5414 12.7516 12.7516 k = 0.0259 0.0259-0.0000 ( 1847 PWs) bands (ev): -30.8534 -30.8534 -12.0771 -12.0771 -11.7357 -11.7357 -11.6370 -11.6370 -9.7792 -9.7792 -8.7612 -8.7612 4.3072 4.3072 4.3338 4.3338 5.8745 5.8745 6.6995 6.6995 6.8043 6.8043 6.8649 6.8649 7.2496 7.2496 7.9509 7.9509 8.5256 8.5256 8.5835 8.5835 9.3102 9.3102 11.5285 11.5285 12.7333 12.7333 k = 0.0172 0.0172-0.0000 ( 1849 PWs) bands (ev): -30.8535 -30.8535 -12.0761 -12.0761 -11.7341 -11.7341 -11.6367 -11.6367 -9.7838 -9.7838 -8.7620 -8.7620 4.3137 4.3137 4.3366 4.3366 5.8769 5.8769 6.7088 6.7088 6.8376 6.8376 6.8755 6.8755 7.2458 7.2458 7.9292 7.9292 8.5196 8.5196 8.5771 8.5771 9.2929 9.2929 11.5192 11.5192 12.7200 12.7200 k = 0.0086 0.0086-0.0000 ( 1849 PWs) bands (ev): -30.8535 -30.8535 -12.0755 -12.0755 -11.7332 -11.7332 -11.6365 -11.6365 -9.7865 -9.7865 -8.7624 -8.7624 4.3170 4.3170 4.3390 4.3390 5.8784 5.8784 6.7144 6.7144 6.8551 6.8551 6.8854 6.8854 7.2434 7.2434 7.9155 7.9155 8.5159 8.5159 8.5733 8.5733 9.2825 9.2825 11.5137 11.5137 12.7121 12.7121 k = 0.0000 0.0000 0.0000 ( 1849 PWs) bands (ev): -30.8535 -30.8535 -12.0753 -12.0753 -11.7329 -11.7329 -11.6365 -11.6365 -9.7875 -9.7875 -8.7626 -8.7626 4.3180 4.3180 4.3399 4.3399 5.8788 5.8788 6.7163 6.7163 6.8599 6.8599 6.8898 6.8898 7.2425 7.2425 7.9108 7.9108 8.5147 8.5147 8.5721 8.5721 9.2790 9.2790 11.5118 11.5118 12.7094 12.7095 k = 0.0000 0.0000 0.0000 ( 1849 PWs) bands (ev): -30.8535 -30.8535 -12.0753 -12.0753 -11.7329 -11.7329 -11.6365 -11.6365 -9.7875 -9.7875 -8.7626 -8.7626 4.3180 4.3180 4.3399 4.3399 5.8788 5.8788 6.7163 6.7163 6.8599 6.8599 6.8898 6.8898 7.2425 7.2425 7.9108 7.9108 8.5147 8.5147 8.5721 8.5721 9.2790 9.2790 11.5118 11.5118 12.7094 12.7094 k = 0.0000 0.0000 0.0123 ( 1853 PWs) bands (ev): -30.8535 -30.8535 -12.0754 -12.0754 -11.7328 -11.7328 -11.6374 -11.6374 -9.7864 -9.7864 -8.7624 -8.7624 4.3178 4.3178 4.3397 4.3397 5.8734 5.8734 6.7144 6.7144 6.8595 6.8595 6.8895 6.8895 7.2476 7.2476 7.9109 7.9109 8.5143 8.5143 8.5717 8.5717 9.2791 9.2791 11.5131 11.5131 12.7119 12.7119 k = 0.0000 0.0000 0.0247 ( 1853 PWs) bands (ev): -30.8534 -30.8534 -12.0759 -12.0759 -11.7326 -11.7326 -11.6400 -11.6400 -9.7831 -9.7831 -8.7620 -8.7620 4.3172 4.3172 4.3391 4.3391 5.8575 5.8575 6.7087 6.7087 6.8584 6.8584 6.8884 6.8884 7.2625 7.2625 7.9113 7.9113 8.5132 8.5132 8.5706 8.5706 9.2792 9.2792 11.5173 11.5173 12.7195 12.7195 k = 0.0000 0.0000 0.0370 ( 1845 PWs) bands (ev): -30.8531 -30.8531 -12.0766 -12.0766 -11.7322 -11.7322 -11.6443 -11.6443 -9.7777 -9.7777 -8.7613 -8.7613 4.3162 4.3162 4.3380 4.3380 5.8316 5.8316 6.6994 6.6994 6.8567 6.8567 6.8866 6.8866 7.2866 7.2866 7.9121 7.9121 8.5115 8.5115 8.5688 8.5688 9.2793 9.2793 11.5242 11.5242 12.7320 12.7320 k = 0.0000 0.0000 0.0494 ( 1845 PWs) bands (ev): -30.8529 -30.8529 -12.0776 -12.0776 -11.7318 -11.7318 -11.6503 -11.6503 -9.7703 -9.7703 -8.7603 -8.7603 4.3149 4.3149 4.3366 4.3366 5.7969 5.7969 6.6864 6.6864 6.8542 6.8542 6.8841 6.8841 7.3189 7.3189 7.9131 7.9131 8.5090 8.5090 8.5662 8.5662 9.2795 9.2795 11.5338 11.5338 12.7496 12.7496 k = 0.0000 0.0000 0.0617 ( 1845 PWs) bands (ev): -30.8525 -30.8525 -12.0791 -12.0791 -11.7312 -11.7312 -11.6579 -11.6579 -9.7608 -9.7608 -8.7590 -8.7590 4.3131 4.3131 4.3347 4.3347 5.7546 5.7546 6.6698 6.6698 6.8510 6.8510 6.8810 6.8810 7.3582 7.3582 7.9144 7.9144 8.5058 8.5058 8.5630 8.5630 9.2798 9.2798 11.5462 11.5462 12.7721 12.7721 k = 0.0000 0.0000 0.0740 ( 1845 PWs) bands (ev): -30.8521 -30.8521 -12.0809 -12.0809 -11.7305 -11.7305 -11.6668 -11.6668 -9.7494 -9.7494 -8.7575 -8.7575 4.3110 4.3110 4.3325 4.3325 5.7058 5.7058 6.6499 6.6499 6.8472 6.8472 6.8772 6.8772 7.4033 7.4033 7.9159 7.9159 8.5020 8.5020 8.5590 8.5590 9.2801 9.2801 11.5612 11.5612 12.7996 12.7996 k = 0.0000 0.0000 0.0864 ( 1853 PWs) bands (ev): -30.8516 -30.8516 -12.0831 -12.0831 -11.7297 -11.7297 -11.6770 -11.6770 -9.7362 -9.7362 -8.7557 -8.7557 4.3085 4.3085 4.3298 4.3298 5.6516 5.6516 6.6267 6.6267 6.8428 6.8428 6.8728 6.8728 7.4532 7.4532 7.9176 7.9176 8.4974 8.4974 8.5543 8.5543 9.2805 9.2805 11.5788 11.5788 12.8319 12.8319 k = 0.0000 0.0000 0.0987 ( 1854 PWs) bands (ev): -30.8510 -30.8510 -12.0859 -12.0859 -11.7287 -11.7287 -11.6883 -11.6883 -9.7214 -9.7214 -8.7536 -8.7536 4.3056 4.3056 4.3268 4.3268 5.5931 5.5931 6.6005 6.6005 6.8378 6.8378 6.8679 6.8679 7.5069 7.5069 7.9197 7.9197 8.4923 8.4923 8.5489 8.5489 9.2809 9.2809 11.5989 11.5989 12.8690 12.8690 k = 0.0000 0.0000 0.1111 ( 1862 PWs) bands (ev): -30.8503 -30.8503 -12.0892 -12.0892 -11.7277 -11.7277 -11.7005 -11.7005 -9.7050 -9.7050 -8.7513 -8.7513 4.3024 4.3024 4.3233 4.3233 5.5311 5.5311 6.5714 6.5714 6.8324 6.8324 6.8624 6.8624 7.5637 7.5637 7.9219 7.9219 8.4865 8.4865 8.5429 8.5429 9.2813 9.2813 11.6215 11.6215 12.9110 12.9110 k = 0.0000 0.0000 0.1234 ( 1866 PWs) bands (ev): -30.8496 -30.8496 -12.0931 -12.0931 -11.7266 -11.7266 -11.7134 -11.7134 -9.6872 -9.6872 -8.7488 -8.7488 4.2987 4.2987 4.3195 4.3195 5.4664 5.4664 6.5396 6.5396 6.8264 6.8264 6.8565 6.8565 7.6228 7.6228 7.9243 7.9243 8.4802 8.4802 8.5362 8.5362 9.2818 9.2818 11.6465 11.6465 12.9578 12.9578 k = 0.0000 0.0000 0.1357 ( 1866 PWs) bands (ev): -30.8488 -30.8488 -12.0976 -12.0976 -11.7267 -11.7267 -11.7253 -11.7253 -9.6681 -9.6681 -8.7460 -8.7460 4.2948 4.2948 4.3153 4.3153 5.3995 5.3995 6.5054 6.5054 6.8200 6.8200 6.8501 6.8501 7.6836 7.6836 7.9271 7.9271 8.4734 8.4734 8.5290 8.5290 9.2823 9.2823 11.6739 11.6739 13.0092 13.0092 k = 0.0000 0.0000 0.1481 ( 1858 PWs) bands (ev): -30.8479 -30.8479 -12.1029 -12.1029 -11.7402 -11.7402 -11.7239 -11.7239 -9.6478 -9.6478 -8.7430 -8.7430 4.2905 4.2905 4.3107 4.3107 5.3311 5.3311 6.4691 6.4691 6.8133 6.8133 6.8434 6.8434 7.7457 7.7457 7.9300 7.9300 8.4662 8.4662 8.5214 8.5214 9.2829 9.2829 11.7035 11.7035 13.0652 13.0652 k = 0.0000 0.0000 0.1604 ( 1866 PWs) bands (ev): -30.8471 -30.8471 -12.1091 -12.1091 -11.7539 -11.7539 -11.7225 -11.7225 -9.6266 -9.6266 -8.7398 -8.7398 4.2858 4.2858 4.3058 4.3058 5.2616 5.2616 6.4307 6.4307 6.8062 6.8062 6.8364 6.8364 7.8086 7.8086 7.9331 7.9331 8.4584 8.4584 8.5131 8.5131 9.2834 9.2834 11.7350 11.7350 13.1257 13.1257 k = 0.0000 0.0000 0.1728 ( 1866 PWs) bands (ev): -30.8461 -30.8461 -12.1162 -12.1162 -11.7673 -11.7673 -11.7210 -11.7210 -9.6046 -9.6046 -8.7364 -8.7364 4.2809 4.2809 4.3005 4.3005 5.1914 5.1914 6.3906 6.3906 6.7989 6.7989 6.8291 6.8291 7.8720 7.8720 7.9364 7.9364 8.4503 8.4503 8.5043 8.5043 9.2840 9.2840 11.7688 11.7688 13.1907 13.1907 k = 0.0000 0.0000 0.1851 ( 1866 PWs) bands (ev): -30.8451 -30.8451 -12.1243 -12.1243 -11.7804 -11.7804 -11.7193 -11.7193 -9.5818 -9.5818 -8.7329 -8.7329 4.2756 4.2756 4.2949 4.2949 5.1208 5.1208 6.3491 6.3491 6.7914 6.7914 6.8216 6.8216 7.9356 7.9356 7.9399 7.9399 8.4420 8.4420 8.4950 8.4950 9.2846 9.2846 11.8045 11.8045 13.2600 13.2600 k = 0.0000 0.0000 0.1974 ( 1858 PWs) bands (ev): -30.8440 -30.8440 -12.1335 -12.1335 -11.7928 -11.7928 -11.7176 -11.7176 -9.5584 -9.5584 -8.7291 -8.7291 4.2700 4.2700 4.2891 4.2891 5.0501 5.0501 6.3063 6.3063 6.7837 6.7837 6.8140 6.8140 7.9436 7.9436 7.9990 7.9990 8.4336 8.4336 8.4854 8.4854 9.2853 9.2853 11.8421 11.8421 13.3336 13.3336 k = 0.0000 0.0000 0.2098 ( 1842 PWs) bands (ev): -30.8429 -30.8429 -12.1436 -12.1436 -11.8045 -11.8045 -11.7158 -11.7158 -9.5345 -9.5345 -8.7253 -8.7253 4.2642 4.2642 4.2829 4.2829 4.9797 4.9797 6.2625 6.2625 6.7759 6.7759 6.8063 6.8063 7.9475 7.9475 8.0619 8.0619 8.4255 8.4255 8.4754 8.4754 9.2860 9.2860 11.8815 11.8815 13.4115 13.4115 k = 0.0000 0.0000 0.2221 ( 1842 PWs) bands (ev): -30.8418 -30.8418 -12.1550 -12.1550 -11.8154 -11.8154 -11.7140 -11.7140 -9.5103 -9.5103 -8.7213 -8.7213 4.2581 4.2581 4.2765 4.2765 4.9096 4.9096 6.2179 6.2179 6.7681 6.7681 6.7986 6.7986 7.9514 7.9514 8.1234 8.1234 8.4177 8.4177 8.4650 8.4650 9.2866 9.2866 11.9225 11.9225 13.4933 13.4933 k = 0.0000 0.0000 0.2345 ( 1846 PWs) bands (ev): -30.8406 -30.8406 -12.1675 -12.1675 -11.8254 -11.8254 -11.7121 -11.7121 -9.4859 -9.4859 -8.7171 -8.7171 4.2517 4.2517 4.2698 4.2698 4.8402 4.8402 6.1728 6.1728 6.7603 6.7603 6.7908 6.7908 7.9553 7.9553 8.1828 8.1828 8.4114 8.4114 8.4542 8.4542 9.2872 9.2872 11.9651 11.9651 13.5789 13.5789 k = 0.0000 0.0000 0.2468 ( 1854 PWs) bands (ev): -30.8394 -30.8394 -12.1810 -12.1810 -11.8344 -11.8344 -11.7103 -11.7103 -9.4614 -9.4614 -8.7129 -8.7129 4.2452 4.2452 4.2629 4.2629 4.7716 4.7716 6.1273 6.1273 6.7526 6.7526 6.7832 6.7832 7.9593 7.9593 8.2379 8.2379 8.4084 8.4084 8.4431 8.4431 9.2878 9.2878 12.0091 12.0091 13.6683 13.6683 k = 0.0000 0.0000 0.2591 ( 1854 PWs) bands (ev): -30.8382 -30.8382 -12.1953 -12.1953 -11.8424 -11.8424 -11.7083 -11.7083 -9.4369 -9.4369 -8.7087 -8.7087 4.2384 4.2384 4.2558 4.2558 4.7042 4.7042 6.0817 6.0817 6.7450 6.7450 6.7756 6.7756 7.9635 7.9635 8.2836 8.2836 8.4140 8.4140 8.4319 8.4319 9.2884 9.2884 12.0544 12.0544 13.7615 13.7615 k = 0.0000 0.0000 0.2715 ( 1854 PWs) bands (ev): -30.8370 -30.8370 -12.2105 -12.2105 -11.8494 -11.8494 -11.7064 -11.7064 -9.4125 -9.4125 -8.7043 -8.7043 4.2315 4.2315 4.2485 4.2485 4.6379 4.6379 6.0362 6.0362 6.7375 6.7375 6.7682 6.7682 7.9676 7.9676 8.3111 8.3111 8.4205 8.4205 8.4368 8.4368 9.2890 9.2890 12.1009 12.1009 13.8581 13.8581 k = 0.0000 0.0000 0.2838 ( 1854 PWs) bands (ev): -30.8358 -30.8358 -12.2263 -12.2263 -11.8556 -11.8556 -11.7044 -11.7044 -9.3883 -9.3883 -8.7000 -8.7000 4.2244 4.2244 4.2411 4.2411 4.5730 4.5730 5.9910 5.9910 6.7303 6.7303 6.7610 6.7610 7.9718 7.9718 8.3193 8.3193 8.4091 8.4091 8.4778 8.4778 9.2896 9.2896 12.1485 12.1485 13.9581 13.9581 k = 0.0000 0.0000 0.2962 ( 1854 PWs) bands (ev): -30.8346 -30.8346 -12.2427 -12.2427 -11.8609 -11.8609 -11.7024 -11.7024 -9.3644 -9.3644 -8.6956 -8.6956 4.2172 4.2172 4.2336 4.2336 4.5097 4.5097 5.9463 5.9463 6.7232 6.7232 6.7541 6.7541 7.9760 7.9760 8.3170 8.3170 8.3976 8.3976 8.5280 8.5280 9.2902 9.2902 12.1971 12.1971 14.0612 14.0612 k = 0.0000 0.0000 0.3085 ( 1862 PWs) bands (ev): -30.8334 -30.8334 -12.2595 -12.2595 -11.8654 -11.8654 -11.7005 -11.7005 -9.3409 -9.3409 -8.6912 -8.6912 4.2100 4.2100 4.2261 4.2261 4.4480 4.4480 5.9022 5.9022 6.7164 6.7164 6.7474 6.7474 7.9802 7.9802 8.3103 8.3103 8.3859 8.3859 8.5812 8.5812 9.2908 9.2908 12.2465 12.2465 14.1672 14.1672 k = 0.0000 0.0000 0.3208 ( 1850 PWs) bands (ev): -30.8321 -30.8321 -12.2763 -12.2763 -11.8691 -11.8691 -11.6984 -11.6984 -9.3178 -9.3178 -8.6868 -8.6868 4.2026 4.2026 4.2185 4.2185 4.3882 4.3882 5.8590 5.8590 6.7099 6.7099 6.7410 6.7410 7.9844 7.9844 8.3018 8.3018 8.3745 8.3745 8.6352 8.6352 9.2915 9.2915 12.2967 12.2967 14.2761 14.2761 k = 0.0000 0.0000 0.3332 ( 1850 PWs) bands (ev): -30.8309 -30.8309 -12.2933 -12.2933 -11.8723 -11.8723 -11.6965 -11.6965 -9.2953 -9.2953 -8.6825 -8.6825 4.1951 4.1951 4.2109 4.2109 4.3305 4.3305 5.8167 5.8167 6.7037 6.7037 6.7348 6.7348 7.9885 7.9885 8.2922 8.2922 8.3631 8.3631 8.6886 8.6886 9.2920 9.2920 12.3474 12.3474 14.3875 14.3875 k = 0.0000 0.0000 0.3455 ( 1850 PWs) bands (ev): -30.8297 -30.8297 -12.3103 -12.3103 -11.8750 -11.8750 -11.6946 -11.6946 -9.2733 -9.2733 -8.6783 -8.6783 4.1874 4.1874 4.2034 4.2034 4.2751 4.2751 5.7756 5.7756 6.6978 6.6978 6.7290 6.7290 7.9925 7.9925 8.2822 8.2822 8.3518 8.3518 8.7409 8.7409 9.2925 9.2925 12.3986 12.3986 14.5011 14.5011 k = 0.0000 0.0000 0.3579 ( 1854 PWs) bands (ev): -30.8286 -30.8286 -12.3270 -12.3270 -11.8772 -11.8772 -11.6927 -11.6927 -9.2521 -9.2521 -8.6741 -8.6741 4.1785 4.1785 4.1959 4.1959 4.2231 4.2231 5.7357 5.7357 6.6922 6.6922 6.7235 6.7235 7.9964 7.9964 8.2720 8.2720 8.3408 8.3408 8.7917 8.7917 9.2930 9.2930 12.4500 12.4500 14.6167 14.6167 k = 0.0000 0.0000 0.3702 ( 1854 PWs) bands (ev): -30.8275 -30.8275 -12.3434 -12.3434 -11.8790 -11.8790 -11.6909 -11.6909 -9.2316 -9.2316 -8.6700 -8.6700 4.1591 4.1591 4.1840 4.1840 4.1886 4.1886 5.6973 5.6973 6.6870 6.6870 6.7183 6.7183 8.0002 8.0002 8.2618 8.2618 8.3300 8.3300 8.8410 8.8410 9.2935 9.2935 12.5014 12.5014 14.7196 14.7258 k = 0.0000 0.0000 0.3825 ( 1854 PWs) bands (ev): -30.8264 -30.8264 -12.3594 -12.3594 -11.8804 -11.8804 -11.6891 -11.6891 -9.2120 -9.2120 -8.6660 -8.6660 4.1162 4.1162 4.1709 4.1709 4.1814 4.1814 5.6604 5.6604 6.6821 6.6821 6.7135 6.7135 8.0039 8.0039 8.2518 8.2518 8.3195 8.3195 8.8884 8.8884 9.2940 9.2940 12.5527 12.5527 14.6971 14.6977 k = 0.0000 0.0000 0.3949 ( 1846 PWs) bands (ev): -30.8253 -30.8253 -12.3748 -12.3748 -11.8815 -11.8815 -11.6874 -11.6874 -9.1932 -9.1932 -8.6622 -8.6622 4.0707 4.0707 4.1631 4.1631 4.1745 4.1745 5.6252 5.6252 6.6776 6.6776 6.7091 6.7091 8.0074 8.0074 8.2421 8.2421 8.3095 8.3095 8.9338 8.9338 9.2945 9.2945 12.6037 12.6037 14.6986 14.6986 k = 0.0000 0.0000 0.4072 ( 1846 PWs) bands (ev): -30.8243 -30.8243 -12.3896 -12.3896 -11.8824 -11.8824 -11.6858 -11.6858 -9.1754 -9.1754 -8.6586 -8.6586 4.0271 4.0271 4.1563 4.1563 4.1677 4.1677 5.5917 5.5917 6.6734 6.6734 6.7050 6.7050 8.0108 8.0108 8.2325 8.2325 8.2997 8.2997 8.9770 8.9770 9.2949 9.2949 12.6540 12.6540 14.6999 14.6999 k = 0.0000 0.0000 0.4195 ( 1846 PWs) bands (ev): -30.8233 -30.8233 -12.4037 -12.4037 -11.8830 -11.8830 -11.6842 -11.6842 -9.1585 -9.1585 -8.6551 -8.6551 3.9859 3.9859 4.1499 4.1499 4.1613 4.1613 5.5601 5.5601 6.6695 6.6695 6.7012 6.7012 8.0139 8.0139 8.2234 8.2234 8.2905 8.2905 9.0178 9.0178 9.2953 9.2953 12.7033 12.7033 14.7013 14.7013 k = 0.0000 0.0000 0.4319 ( 1846 PWs) bands (ev): -30.8224 -30.8224 -12.4170 -12.4170 -11.8836 -11.8836 -11.6827 -11.6827 -9.1427 -9.1427 -8.6518 -8.6518 3.9474 3.9474 4.1439 4.1439 4.1551 4.1551 5.5305 5.5305 6.6660 6.6660 6.6978 6.6978 8.0169 8.0169 8.2147 8.2147 8.2817 8.2817 9.0561 9.0561 9.2956 9.2956 12.7514 12.7514 14.7025 14.7025 k = 0.0000 0.0000 0.4442 ( 1842 PWs) bands (ev): -30.8215 -30.8215 -12.4295 -12.4295 -11.8839 -11.8839 -11.6813 -11.6813 -9.1280 -9.1280 -8.6486 -8.6486 3.9116 3.9116 4.1383 4.1383 4.1494 4.1494 5.5029 5.5029 6.6628 6.6628 6.6947 6.6947 8.0197 8.0197 8.2065 8.2065 8.2736 8.2736 9.0919 9.0919 9.2960 9.2960 12.7979 12.7979 14.7037 14.7037 k = 0.0000 0.0000 0.4566 ( 1842 PWs) bands (ev): -30.8207 -30.8207 -12.4411 -12.4411 -11.8841 -11.8841 -11.6800 -11.6800 -9.1144 -9.1144 -8.6457 -8.6457 3.8786 3.8786 4.1331 4.1331 4.1440 4.1440 5.4775 5.4775 6.6600 6.6600 6.6919 6.6919 8.0222 8.0222 8.1988 8.1988 8.2660 8.2660 9.1249 9.1249 9.2963 9.2963 12.8425 12.8425 14.7048 14.7048 k = 0.0000 0.0000 0.4689 ( 1842 PWs) bands (ev): -30.8200 -30.8200 -12.4517 -12.4517 -11.8843 -11.8843 -11.6789 -11.6789 -9.1020 -9.1020 -8.6431 -8.6431 3.8486 3.8486 4.1283 4.1283 4.1390 4.1390 5.4543 5.4543 6.6575 6.6575 6.6895 6.6895 8.0245 8.0245 8.1917 8.1917 8.2590 8.2590 9.1551 9.1551 9.2966 9.2966 12.8848 12.8848 14.7058 14.7058 k = 0.0000 0.0000 0.4812 ( 1830 PWs) bands (ev): -30.8193 -30.8193 -12.4612 -12.4612 -11.8844 -11.8844 -11.6778 -11.6778 -9.0908 -9.0908 -8.6407 -8.6407 3.8216 3.8216 4.1239 4.1239 4.1344 4.1344 5.4334 5.4334 6.6552 6.6552 6.6873 6.6873 8.0267 8.0267 8.1854 8.1854 8.2527 8.2527 9.1826 9.1826 9.2969 9.2969 12.9242 12.9242 14.7067 14.7068 k = 0.0000 0.0000 0.4936 ( 1838 PWs) bands (ev): -30.8187 -30.8187 -12.4698 -12.4698 -11.8845 -11.8845 -11.6769 -11.6769 -9.0808 -9.0808 -8.6385 -8.6385 3.7977 3.7977 4.1200 4.1200 4.1303 4.1303 5.4147 5.4147 6.6533 6.6533 6.6854 6.6854 8.0283 8.0283 8.1795 8.1795 8.2470 8.2470 9.2068 9.2068 9.2971 9.2971 12.9604 12.9604 14.7074 14.7074 k = 0.0000 0.0000 0.5059 ( 1838 PWs) bands (ev): -30.8182 -30.8182 -12.4773 -12.4773 -11.8845 -11.8845 -11.6760 -11.6760 -9.0721 -9.0721 -8.6366 -8.6366 3.7768 3.7768 4.1165 4.1165 4.1267 4.1267 5.3985 5.3985 6.6517 6.6517 6.6838 6.6838 8.0299 8.0299 8.1744 8.1744 8.2421 8.2421 9.2280 9.2280 9.2973 9.2973 12.9930 12.9930 14.7081 14.7081 k = 0.0000 0.0000 0.5183 ( 1838 PWs) bands (ev): -30.8178 -30.8178 -12.4837 -12.4837 -11.8844 -11.8844 -11.6753 -11.6753 -9.0647 -9.0647 -8.6350 -8.6350 3.7591 3.7591 4.1136 4.1136 4.1237 4.1237 5.3847 5.3847 6.6503 6.6503 6.6825 6.6825 8.0312 8.0312 8.1701 8.1701 8.2378 8.2378 9.2461 9.2461 9.2975 9.2975 13.0214 13.0214 14.7087 14.7087 k = 0.0000 0.0000 0.5306 ( 1838 PWs) bands (ev): -30.8174 -30.8174 -12.4890 -12.4890 -11.8844 -11.8844 -11.6747 -11.6747 -9.0587 -9.0587 -8.6337 -8.6337 3.7445 3.7445 4.1111 4.1111 4.1211 4.1211 5.3733 5.3733 6.6492 6.6492 6.6814 6.6814 8.0323 8.0323 8.1665 8.1665 8.2344 8.2344 9.2610 9.2610 9.2976 9.2976 13.0453 13.0453 14.7092 14.7092 k = 0.0000 0.0000 0.5429 ( 1838 PWs) bands (ev): -30.8171 -30.8171 -12.4931 -12.4931 -11.8844 -11.8844 -11.6743 -11.6743 -9.0539 -9.0539 -8.6326 -8.6326 3.7332 3.7332 4.1092 4.1092 4.1191 4.1191 5.3644 5.3644 6.6483 6.6483 6.6806 6.6806 8.0332 8.0332 8.1636 8.1636 8.2317 8.2317 9.2726 9.2726 9.2977 9.2977 13.0643 13.0643 14.7096 14.7096 k = 0.0000 0.0000 0.5553 ( 1834 PWs) bands (ev): -30.8169 -30.8169 -12.4960 -12.4960 -11.8844 -11.8844 -11.6739 -11.6739 -9.0505 -9.0505 -8.6319 -8.6319 3.7250 3.7250 4.1078 4.1078 4.1177 4.1177 5.3581 5.3581 6.6477 6.6477 6.6800 6.6800 8.0338 8.0338 8.1616 8.1616 8.2297 8.2297 9.2810 9.2810 9.2978 9.2978 13.0783 13.0783 14.7099 14.7099 k = 0.0000 0.0000 0.5676 ( 1838 PWs) bands (ev): -30.8168 -30.8168 -12.4978 -12.4978 -11.8844 -11.8844 -11.6737 -11.6737 -9.0485 -9.0485 -8.6314 -8.6314 3.7202 3.7202 4.1070 4.1070 4.1168 4.1168 5.3543 5.3543 6.6473 6.6473 6.6796 6.6796 8.0341 8.0341 8.1604 8.1604 8.2286 8.2286 9.2860 9.2860 9.2977 9.2977 13.0867 13.0867 14.7101 14.7101 k = 0.0000 0.0000 0.5800 ( 1846 PWs) bands (ev): -30.8168 -30.8168 -12.4984 -12.4984 -11.8844 -11.8844 -11.6737 -11.6737 -9.0478 -9.0478 -8.6313 -8.6313 3.7185 3.7185 4.1067 4.1067 4.1165 4.1165 5.3530 5.3530 6.6472 6.6472 6.6795 6.6795 8.0343 8.0343 8.1599 8.1599 8.2280 8.2280 9.2876 9.2876 9.2977 9.2977 13.0895 13.0895 14.7101 14.7101 k = 0.0000 0.0000 0.5800 ( 1846 PWs) bands (ev): -30.8168 -30.8168 -12.4984 -12.4984 -11.8844 -11.8844 -11.6737 -11.6737 -9.0478 -9.0478 -8.6313 -8.6313 3.7185 3.7185 4.1067 4.1067 4.1165 4.1165 5.3530 5.3530 6.6472 6.6472 6.6795 6.6795 8.0343 8.0343 8.1599 8.1599 8.2280 8.2280 9.2876 9.2876 9.2977 9.2977 13.0895 13.0895 14.7101 14.7101 k = 0.0000 0.0122 0.5800 ( 1840 PWs) bands (ev): -30.8167 -30.8167 -12.4981 -12.4981 -11.8844 -11.8844 -11.6738 -11.6738 -9.0477 -9.0477 -8.6315 -8.6315 3.7192 3.7192 4.1065 4.1065 4.1164 4.1164 5.3522 5.3522 6.6439 6.6439 6.6760 6.6760 8.0375 8.0375 8.1608 8.1608 8.2291 8.2291 9.2881 9.2881 9.3015 9.3015 13.0896 13.0896 14.7094 14.7094 k = 0.0000 0.0244 0.5800 ( 1840 PWs) bands (ev): -30.8167 -30.8167 -12.4974 -12.4974 -11.8845 -11.8845 -11.6740 -11.6740 -9.0476 -9.0476 -8.6321 -8.6321 3.7212 3.7212 4.1052 4.1052 4.1163 4.1163 5.3498 5.3498 6.6340 6.6340 6.6655 6.6655 8.0469 8.0469 8.1631 8.1631 8.2322 8.2322 9.2886 9.2886 9.3135 9.3135 13.0899 13.0899 14.7071 14.7071 k = 0.0000 0.0366 0.5800 ( 1832 PWs) bands (ev): -30.8167 -30.8167 -12.4961 -12.4961 -11.8847 -11.8847 -11.6743 -11.6743 -9.0473 -9.0473 -8.6331 -8.6331 3.7245 3.7245 4.1020 4.1020 4.1172 4.1172 5.3458 5.3458 6.6178 6.6178 6.6484 6.6484 8.0624 8.0624 8.1665 8.1665 8.2380 8.2380 9.2889 9.2889 9.3338 9.3338 13.0904 13.0904 14.7035 14.7035 k = 0.0000 0.0488 0.5800 ( 1832 PWs) bands (ev): -30.8166 -30.8166 -12.4943 -12.4943 -11.8849 -11.8849 -11.6748 -11.6748 -9.0470 -9.0470 -8.6345 -8.6345 3.7291 3.7291 4.0966 4.0966 4.1195 4.1195 5.3404 5.3404 6.5958 6.5958 6.6254 6.6254 8.0830 8.0830 8.1702 8.1702 8.2471 8.2471 9.2889 9.2889 9.3617 9.3617 13.0911 13.0911 14.6983 14.6983 k = 0.0000 0.0610 0.5800 ( 1828 PWs) bands (ev): -30.8165 -30.8165 -12.4920 -12.4920 -11.8853 -11.8853 -11.6754 -11.6754 -9.0466 -9.0466 -8.6362 -8.6362 3.7350 3.7350 4.0889 4.0889 4.1229 4.1229 5.3336 5.3336 6.5686 6.5686 6.5971 6.5971 8.1077 8.1077 8.1742 8.1742 8.2603 8.2603 9.2889 9.2889 9.3964 9.3964 13.0920 13.0920 14.6916 14.6916 k = 0.0000 0.0732 0.5800 ( 1836 PWs) bands (ev): -30.8164 -30.8164 -12.4893 -12.4893 -11.8858 -11.8858 -11.6763 -11.6763 -9.0463 -9.0463 -8.6382 -8.6382 3.7421 3.7421 4.0792 4.0792 4.1273 4.1273 5.3254 5.3254 6.5368 6.5368 6.5642 6.5642 8.1341 8.1341 8.1796 8.1796 8.2778 8.2778 9.2889 9.2889 9.4368 9.4368 13.0929 13.0929 14.6836 14.6836 k = 0.0000 0.0854 0.5800 ( 1838 PWs) bands (ev): -30.8163 -30.8163 -12.4860 -12.4860 -11.8863 -11.8863 -11.6772 -11.6772 -9.0459 -9.0459 -8.6404 -8.6404 3.7503 3.7503 4.0673 4.0673 4.1326 4.1326 5.3161 5.3161 6.5013 6.5013 6.5275 6.5275 8.1545 8.1545 8.1936 8.1936 8.2994 8.2994 9.2888 9.2888 9.4826 9.4826 13.0940 13.0940 14.6744 14.6744 k = 0.0000 0.0976 0.5800 ( 1836 PWs) bands (ev): -30.8162 -30.8162 -12.4824 -12.4824 -11.8868 -11.8868 -11.6782 -11.6782 -9.0457 -9.0457 -8.6427 -8.6427 3.7596 3.7596 4.0534 4.0534 4.1388 4.1388 5.3058 5.3058 6.4628 6.4628 6.4878 6.4878 8.1618 8.1618 8.2229 8.2229 8.3251 8.3251 9.2887 9.2887 9.5327 9.5327 13.0951 13.0951 14.6640 14.6640 k = 0.0000 0.1098 0.5800 ( 1836 PWs) bands (ev): -30.8161 -30.8161 -12.4783 -12.4783 -11.8875 -11.8875 -11.6793 -11.6793 -9.0457 -9.0457 -8.6452 -8.6452 3.7700 3.7700 4.0372 4.0372 4.1458 4.1458 5.2945 5.2945 6.4222 6.4222 6.4456 6.4456 8.1628 8.1628 8.2601 8.2601 8.3544 8.3544 9.2886 9.2886 9.5863 9.5863 13.0963 13.0963 14.6525 14.6525 k = 0.0000 0.1220 0.5800 ( 1836 PWs) bands (ev): -30.8159 -30.8159 -12.4738 -12.4738 -11.8882 -11.8882 -11.6805 -11.6805 -9.0458 -9.0458 -8.6476 -8.6476 3.7812 3.7812 4.0188 4.0188 4.1538 4.1538 5.2825 5.2825 6.3801 6.3801 6.4016 6.4016 8.1615 8.1615 8.3009 8.3009 8.3871 8.3871 9.2885 9.2885 9.6424 9.6424 13.0974 13.0974 14.6401 14.6401 k = 0.0000 0.1341 0.5800 ( 1844 PWs) bands (ev): -30.8158 -30.8158 -12.4689 -12.4689 -11.8890 -11.8890 -11.6818 -11.6818 -9.0463 -9.0463 -8.6500 -8.6500 3.7933 3.7933 3.9982 3.9982 4.1625 4.1625 5.2699 5.2699 6.3372 6.3372 6.3564 6.3564 8.1591 8.1591 8.3437 8.3437 8.4227 8.4227 9.2882 9.2882 9.7005 9.7005 13.0982 13.0982 14.6268 14.6268 k = 0.0000 0.1463 0.5800 ( 1846 PWs) bands (ev): -30.8156 -30.8156 -12.4637 -12.4637 -11.8898 -11.8898 -11.6832 -11.6832 -9.0472 -9.0472 -8.6522 -8.6522 3.8062 3.8062 3.9751 3.9751 4.1721 4.1721 5.2568 5.2568 6.2933 6.2933 6.3111 6.3111 8.1560 8.1560 8.3879 8.3879 8.4610 8.4610 9.2880 9.2880 9.7599 9.7599 13.0991 13.0991 14.6127 14.6127 k = 0.0000 0.1585 0.5800 ( 1850 PWs) bands (ev): -30.8154 -30.8154 -12.4582 -12.4582 -11.8907 -11.8907 -11.6846 -11.6846 -9.0484 -9.0484 -8.6542 -8.6542 3.8197 3.8197 3.9498 3.9498 4.1825 4.1825 5.2435 5.2435 6.2479 6.2479 6.2673 6.2673 8.1524 8.1524 8.4331 8.4331 8.5015 8.5015 9.2880 9.2880 9.8199 9.8199 13.0996 13.0996 14.5981 14.5981 k = 0.0000 0.1707 0.5800 ( 1852 PWs) bands (ev): -30.8152 -30.8152 -12.4523 -12.4523 -11.8917 -11.8917 -11.6860 -11.6860 -9.0502 -9.0502 -8.6559 -8.6559 3.8336 3.8336 3.9223 3.9223 4.1937 4.1937 5.2301 5.2301 6.2006 6.2006 6.2262 6.2262 8.1484 8.1484 8.4790 8.4790 8.5442 8.5442 9.2878 9.2878 9.8799 9.8799 13.0998 13.0998 14.5829 14.5829 k = 0.0000 0.1829 0.5800 ( 1856 PWs) bands (ev): -30.8150 -30.8150 -12.4463 -12.4463 -11.8927 -11.8927 -11.6875 -11.6875 -9.0525 -9.0525 -8.6571 -8.6571 3.8478 3.8478 3.8927 3.8927 4.2057 4.2057 5.2167 5.2167 6.1516 6.1516 6.1882 6.1882 8.1440 8.1440 8.5255 8.5255 8.5883 8.5883 9.2876 9.2876 9.9396 9.9396 13.0997 13.0997 14.5674 14.5674 k = 0.0000 0.1951 0.5800 ( 1856 PWs) bands (ev): -30.8148 -30.8148 -12.4400 -12.4400 -11.8937 -11.8937 -11.6889 -11.6889 -9.0554 -9.0554 -8.6579 -8.6579 3.8560 3.8560 3.8672 3.8672 4.2186 4.2186 5.2035 5.2035 6.1018 6.1018 6.1530 6.1530 8.1394 8.1394 8.5724 8.5724 8.6338 8.6338 9.2874 9.2874 9.9985 9.9985 13.0991 13.0991 14.5515 14.5515 k = 0.0000 0.2073 0.5800 ( 1856 PWs) bands (ev): -30.8146 -30.8146 -12.4335 -12.4335 -11.8947 -11.8947 -11.6903 -11.6903 -9.0589 -9.0589 -8.6582 -8.6582 3.8255 3.8255 3.8787 3.8787 4.2322 4.2322 5.1906 5.1906 6.0514 6.0514 6.1207 6.1207 8.1345 8.1345 8.6195 8.6195 8.6801 8.6801 9.2873 9.2873 10.0562 10.0562 13.0980 13.0980 14.5355 14.5355 k = 0.0000 0.2195 0.5800 ( 1856 PWs) bands (ev): -30.8144 -30.8144 -12.4268 -12.4268 -11.8958 -11.8958 -11.6918 -11.6918 -9.0630 -9.0630 -8.6580 -8.6580 3.7901 3.7901 3.8934 3.8934 4.2466 4.2466 5.1782 5.1782 6.0009 6.0009 6.0912 6.0912 8.1295 8.1295 8.6665 8.6665 8.7271 8.7271 9.2872 9.2872 10.1125 10.1125 13.0963 13.0963 14.5193 14.5194 k = 0.0000 0.2317 0.5800 ( 1856 PWs) bands (ev): -30.8142 -30.8142 -12.4201 -12.4201 -11.8968 -11.8968 -11.6932 -11.6932 -9.0678 -9.0678 -8.6572 -8.6572 3.7529 3.7529 3.9082 3.9082 4.2619 4.2619 5.1664 5.1664 5.9504 5.9504 6.0646 6.0646 8.1244 8.1244 8.7134 8.7134 8.7744 8.7744 9.2870 9.2870 10.1671 10.1671 13.0938 13.0938 14.5033 14.5033 k = 0.0000 0.2439 0.5800 ( 1860 PWs) bands (ev): -30.8140 -30.8140 -12.4133 -12.4133 -11.8979 -11.8979 -11.6946 -11.6946 -9.0731 -9.0731 -8.6559 -8.6559 3.7145 3.7145 3.9229 3.9229 4.2778 4.2778 5.1552 5.1552 5.9000 5.9000 6.0408 6.0408 8.1191 8.1191 8.7597 8.7597 8.8220 8.8220 9.2869 9.2869 10.2196 10.2196 13.0906 13.0906 14.4874 14.4874 k = 0.0000 0.2561 0.5800 ( 1864 PWs) bands (ev): -30.8138 -30.8138 -12.4065 -12.4065 -11.8990 -11.8990 -11.6959 -11.6959 -9.0790 -9.0790 -8.6540 -8.6540 3.6750 3.6750 3.9373 3.9373 4.2946 4.2946 5.1448 5.1448 5.8500 5.8500 6.0199 6.0199 8.1139 8.1139 8.8053 8.8053 8.8697 8.8697 9.2869 9.2869 10.2699 10.2699 13.0866 13.0866 14.4717 14.4717 k = 0.0000 0.2683 0.5800 ( 1870 PWs) bands (ev): -30.8135 -30.8135 -12.3998 -12.3998 -11.9001 -11.9001 -11.6972 -11.6972 -9.0854 -9.0854 -8.6516 -8.6516 3.6348 3.6348 3.9512 3.9512 4.3120 4.3120 5.1352 5.1352 5.8005 5.8005 6.0016 6.0016 8.1086 8.1086 8.8497 8.8497 8.9173 8.9173 9.2869 9.2869 10.3180 10.3180 13.0817 13.0817 14.4562 14.4563 k = 0.0000 0.2805 0.5800 ( 1870 PWs) bands (ev): -30.8133 -30.8133 -12.3930 -12.3930 -11.9011 -11.9011 -11.6984 -11.6984 -9.0923 -9.0923 -8.6488 -8.6488 3.5943 3.5943 3.9647 3.9647 4.3302 4.3302 5.1265 5.1265 5.7515 5.7515 5.9858 5.9858 8.1034 8.1034 8.8928 8.8928 8.9648 8.9648 9.2871 9.2871 10.3638 10.3638 13.0760 13.0760 14.4412 14.4412 k = 0.0000 0.2927 0.5800 ( 1870 PWs) bands (ev): -30.8131 -30.8131 -12.3864 -12.3864 -11.9020 -11.9020 -11.6996 -11.6996 -9.0994 -9.0994 -8.6456 -8.6456 3.5538 3.5538 3.9776 3.9776 4.3490 4.3490 5.1187 5.1187 5.7031 5.7031 5.9724 5.9724 8.0983 8.0983 8.9343 8.9343 9.0118 9.0118 9.2875 9.2875 10.4071 10.4071 13.0694 13.0694 14.4266 14.4266 k = 0.0000 0.3049 0.5800 ( 1862 PWs) bands (ev): -30.8129 -30.8129 -12.3799 -12.3799 -11.9029 -11.9029 -11.7006 -11.7006 -9.1069 -9.1069 -8.6420 -8.6420 3.5137 3.5137 3.9898 3.9898 4.3685 4.3685 5.1119 5.1119 5.6556 5.6556 5.9611 5.9611 8.0933 8.0933 8.9741 8.9741 9.0581 9.0581 9.2883 9.2883 10.4478 10.4478 13.0619 13.0619 14.4126 14.4126 k = 0.0000 0.3171 0.5800 ( 1862 PWs) bands (ev): -30.8127 -30.8127 -12.3737 -12.3737 -11.9038 -11.9038 -11.7016 -11.7016 -9.1145 -9.1145 -8.6382 -8.6382 3.4742 3.4742 4.0012 4.0012 4.3886 4.3886 5.1060 5.1060 5.6088 5.6088 5.9518 5.9518 8.0883 8.0883 9.0119 9.0119 9.1031 9.1031 9.2896 9.2896 10.4860 10.4860 13.0535 13.0535 14.3991 14.3991 k = 0.0000 0.3293 0.5800 ( 1858 PWs) bands (ev): -30.8125 -30.8125 -12.3676 -12.3676 -11.9046 -11.9046 -11.7025 -11.7025 -9.1222 -9.1222 -8.6342 -8.6342 3.4357 3.4357 4.0118 4.0118 4.4092 4.4092 5.1011 5.1011 5.5631 5.5631 5.9442 5.9442 8.0836 8.0836 9.0478 9.0478 9.1462 9.1462 9.2918 9.2918 10.5215 10.5215 13.0444 13.0444 14.3863 14.3863 k = 0.0000 0.3415 0.5800 ( 1858 PWs) bands (ev): -30.8123 -30.8123 -12.3618 -12.3618 -11.9053 -11.9053 -11.7034 -11.7034 -9.1298 -9.1298 -8.6301 -8.6301 3.3985 3.3985 4.0217 4.0217 4.4303 4.4303 5.0969 5.0969 5.5185 5.5185 5.9382 5.9382 8.0790 8.0790 9.0815 9.0815 9.1861 9.1861 9.2960 9.2960 10.5544 10.5544 13.0346 13.0346 14.3741 14.3741 k = 0.0000 0.3537 0.5800 ( 1858 PWs) bands (ev): -30.8121 -30.8121 -12.3563 -12.3563 -11.9060 -11.9060 -11.7042 -11.7042 -9.1373 -9.1373 -8.6260 -8.6260 3.3628 3.3628 4.0306 4.0306 4.4518 4.4518 5.0937 5.0937 5.4750 5.4750 5.9335 5.9335 8.0747 8.0747 9.1129 9.1129 9.2204 9.2204 9.3042 9.3042 10.5848 10.5848 13.0242 13.0242 14.3626 14.3626 k = 0.0000 0.3659 0.5800 ( 1866 PWs) bands (ev): -30.8119 -30.8119 -12.3512 -12.3512 -11.9067 -11.9067 -11.7049 -11.7049 -9.1447 -9.1447 -8.6219 -8.6219 3.3290 3.3290 4.0387 4.0387 4.4735 4.4735 5.0911 5.0911 5.4330 5.4330 5.9299 5.9299 8.0705 8.0705 9.1419 9.1419 9.2451 9.2451 9.3202 9.3202 10.6124 10.6124 13.0134 13.0134 14.3518 14.3518 k = 0.0000 0.3780 0.5800 ( 1870 PWs) bands (ev): -30.8118 -30.8118 -12.3464 -12.3464 -11.9073 -11.9073 -11.7056 -11.7056 -9.1517 -9.1517 -8.6179 -8.6179 3.2972 3.2972 4.0460 4.0460 4.4954 4.4954 5.0893 5.0893 5.3924 5.3924 5.9273 5.9273 8.0666 8.0666 9.1686 9.1686 9.2590 9.2590 9.3449 9.3449 10.6376 10.6376 13.0024 13.0024 14.3419 14.3419 k = 0.0000 0.3902 0.5800 ( 1870 PWs) bands (ev): -30.8116 -30.8116 -12.3420 -12.3420 -11.9077 -11.9077 -11.7061 -11.7061 -9.1583 -9.1583 -8.6141 -8.6141 3.2679 3.2679 4.0524 4.0524 4.5172 4.5172 5.0880 5.0880 5.3536 5.3536 5.9255 5.9255 8.0631 8.0631 9.1926 9.1926 9.2662 9.2662 9.3742 9.3742 10.6602 10.6602 12.9914 12.9914 14.3329 14.3329 k = 0.0000 0.4024 0.5800 ( 1870 PWs) bands (ev): -30.8115 -30.8115 -12.3380 -12.3380 -11.9081 -11.9081 -11.7066 -11.7066 -9.1644 -9.1644 -8.6105 -8.6105 3.2410 3.2410 4.0580 4.0580 4.5388 4.5388 5.0872 5.0872 5.3168 5.3168 5.9243 5.9243 8.0599 8.0599 9.2137 9.2137 9.2706 9.2706 9.4039 9.4039 10.6803 10.6803 12.9806 12.9806 14.3247 14.3247 k = 0.0000 0.4146 0.5800 ( 1870 PWs) bands (ev): -30.8114 -30.8114 -12.3344 -12.3344 -11.9085 -11.9085 -11.7071 -11.7071 -9.1700 -9.1700 -8.6072 -8.6072 3.2169 3.2169 4.0629 4.0629 4.5599 4.5599 5.0867 5.0867 5.2823 5.2823 5.9236 5.9236 8.0569 8.0569 9.2316 9.2316 9.2743 9.2743 9.4319 9.4319 10.6981 10.6981 12.9703 12.9703 14.3174 14.3174 k = 0.0000 0.4268 0.5800 ( 1866 PWs) bands (ev): -30.8113 -30.8113 -12.3313 -12.3313 -11.9087 -11.9087 -11.7074 -11.7074 -9.1750 -9.1750 -8.6042 -8.6042 3.1957 3.1957 4.0670 4.0670 4.5800 4.5800 5.0866 5.0866 5.2504 5.2504 5.9233 5.9233 8.0544 8.0544 9.2455 9.2455 9.2787 9.2787 9.4574 9.4574 10.7134 10.7134 12.9607 12.9607 14.3111 14.3111 k = 0.0000 0.4390 0.5800 ( 1870 PWs) bands (ev): -30.8112 -30.8112 -12.3286 -12.3286 -11.9090 -11.9090 -11.7078 -11.7078 -9.1793 -9.1793 -8.6016 -8.6016 3.1774 3.1774 4.0704 4.0704 4.5987 4.5987 5.0867 5.0867 5.2217 5.2217 5.9232 5.9232 8.0522 8.0522 9.2548 9.2548 9.2848 9.2848 9.4797 9.4797 10.7261 10.7261 12.9521 12.9521 14.3056 14.3056 k = 0.0000 0.4512 0.5800 ( 1870 PWs) bands (ev): -30.8111 -30.8111 -12.3264 -12.3264 -11.9092 -11.9092 -11.7080 -11.7080 -9.1829 -9.1829 -8.5995 -8.5995 3.1624 3.1624 4.0731 4.0731 4.6155 4.6155 5.0868 5.0868 5.1968 5.1968 5.9232 5.9232 8.0505 8.0505 9.2599 9.2599 9.2921 9.2921 9.4984 9.4984 10.7365 10.7365 12.9447 12.9447 14.3013 14.3013 k = 0.0000 0.4634 0.5800 ( 1870 PWs) bands (ev): -30.8110 -30.8110 -12.3247 -12.3247 -11.9093 -11.9093 -11.7082 -11.7082 -9.1858 -9.1858 -8.5977 -8.5977 3.1506 3.1506 4.0752 4.0752 4.6297 4.6297 5.0871 5.0871 5.1763 5.1763 5.9234 5.9234 8.0491 8.0491 9.2626 9.2626 9.2990 9.2990 9.5132 9.5132 10.7446 10.7446 12.9387 12.9387 14.2978 14.2978 k = 0.0000 0.4756 0.5800 ( 1866 PWs) bands (ev): -30.8110 -30.8110 -12.3234 -12.3234 -11.9094 -11.9094 -11.7083 -11.7083 -9.1878 -9.1878 -8.5965 -8.5965 3.1421 3.1421 4.0767 4.0767 4.6405 4.6405 5.0872 5.0872 5.1609 5.1609 5.9235 5.9235 8.0481 8.0481 9.2640 9.2640 9.3046 9.3046 9.5239 9.5239 10.7504 10.7504 12.9343 12.9343 14.2954 14.2954 k = 0.0000 0.4878 0.5800 ( 1860 PWs) bands (ev): -30.8110 -30.8110 -12.3227 -12.3227 -11.9094 -11.9094 -11.7083 -11.7083 -9.1891 -9.1891 -8.5957 -8.5957 3.1370 3.1370 4.0776 4.0776 4.6473 4.6473 5.0874 5.0874 5.1514 5.1514 5.9236 5.9236 8.0475 8.0475 9.2647 9.2647 9.3081 9.3081 9.5305 9.5305 10.7539 10.7539 12.9316 12.9316 14.2940 14.2940 k = 0.0000 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8109 -30.8109 -12.3224 -12.3224 -11.9095 -11.9095 -11.7084 -11.7084 -9.1895 -9.1895 -8.5955 -8.5955 3.1353 3.1353 4.0778 4.0778 4.6496 4.6496 5.0874 5.0874 5.1482 5.1482 5.9236 5.9236 8.0473 8.0473 9.2648 9.2648 9.3092 9.3092 9.5326 9.5326 10.7550 10.7550 12.9306 12.9306 14.2934 14.2934 k = 0.0000 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8109 -30.8109 -12.3224 -12.3224 -11.9095 -11.9095 -11.7084 -11.7084 -9.1895 -9.1895 -8.5955 -8.5955 3.1353 3.1353 4.0778 4.0778 4.6496 4.6496 5.0874 5.0874 5.1482 5.1482 5.9236 5.9236 8.0473 8.0473 9.2648 9.2648 9.3092 9.3092 9.5326 9.5326 10.7550 10.7550 12.9306 12.9306 14.2934 14.2934 k = 0.0122 0.5000 0.5800 ( 1860 PWs) bands (ev): -30.8109 -30.8109 -12.3223 -12.3223 -11.9094 -11.9094 -11.7085 -11.7085 -9.1891 -9.1891 -8.5959 -8.5959 3.1351 3.1351 4.0787 4.0787 4.6470 4.6470 5.0867 5.0867 5.1441 5.1441 5.9273 5.9273 8.0489 8.0489 9.2666 9.2666 9.3098 9.3098 9.5328 9.5328 10.7581 10.7581 12.9216 12.9216 14.3034 14.3034 k = 0.0244 0.5000 0.5800 ( 1868 PWs) bands (ev): -30.8109 -30.8109 -12.3218 -12.3218 -11.9093 -11.9093 -11.7089 -11.7089 -9.1878 -9.1878 -8.5972 -8.5972 3.1345 3.1345 4.0811 4.0811 4.6391 4.6391 5.0844 5.0844 5.1318 5.1318 5.9383 5.9383 8.0536 8.0536 9.2713 9.2713 9.3116 9.3116 9.5333 9.5333 10.7673 10.7673 12.8953 12.8953 14.3324 14.3324 k = 0.0366 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8109 -30.8109 -12.3210 -12.3210 -11.9092 -11.9092 -11.7095 -11.7095 -9.1858 -9.1858 -8.5993 -8.5993 3.1334 3.1334 4.0852 4.0852 4.6263 4.6263 5.0806 5.0806 5.1117 5.1117 5.9562 5.9562 8.0614 8.0614 9.2789 9.2789 9.3145 9.3145 9.5342 9.5342 10.7827 10.7827 12.8536 12.8536 14.3784 14.3784 k = 0.0488 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8108 -30.8108 -12.3199 -12.3199 -11.9090 -11.9090 -11.7103 -11.7103 -9.1830 -9.1830 -8.6022 -8.6022 3.1320 3.1320 4.0909 4.0909 4.6090 4.6090 5.0753 5.0753 5.0840 5.0840 5.9806 5.9806 8.0724 8.0724 9.2888 9.2888 9.3192 9.3192 9.5355 9.5355 10.8042 10.8042 12.7994 12.7994 14.4389 14.4389 k = 0.0610 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8107 -30.8107 -12.3184 -12.3184 -11.9087 -11.9087 -11.7113 -11.7113 -9.1793 -9.1793 -8.6060 -8.6060 3.1301 3.1301 4.0982 4.0982 4.5877 4.5877 5.0492 5.0492 5.0687 5.0687 6.0110 6.0110 8.0865 8.0865 9.2998 9.2998 9.3261 9.3261 9.5371 9.5371 10.8318 10.8318 12.7353 12.7353 14.5110 14.5110 k = 0.0732 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8106 -30.8106 -12.3166 -12.3166 -11.9083 -11.9083 -11.7124 -11.7124 -9.1749 -9.1749 -8.6105 -8.6105 3.1277 3.1277 4.1070 4.1070 4.5632 4.5632 5.0080 5.0080 5.0607 5.0607 6.0466 6.0466 8.1036 8.1036 9.3104 9.3104 9.3362 9.3362 9.5392 9.5392 10.8655 10.8655 12.6636 12.6636 14.5925 14.5926 k = 0.0854 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8105 -30.8105 -12.3146 -12.3146 -11.9079 -11.9079 -11.7139 -11.7139 -9.1698 -9.1698 -8.6158 -8.6158 3.1248 3.1248 4.1173 4.1173 4.5358 4.5358 4.9609 4.9609 5.0515 5.0515 6.0869 6.0869 8.1235 8.1235 9.3198 9.3198 9.3497 9.3497 9.5417 9.5417 10.9050 10.9050 12.5863 12.5863 14.6809 14.6812 k = 0.0976 0.5000 0.5800 ( 1868 PWs) bands (ev): -30.8104 -30.8104 -12.3123 -12.3123 -11.9074 -11.9074 -11.7155 -11.7155 -9.1639 -9.1639 -8.6218 -8.6218 3.1213 3.1213 4.1291 4.1291 4.5062 4.5062 4.9087 4.9087 5.0411 5.0411 6.1312 6.1312 8.1460 8.1460 9.3284 9.3284 9.3656 9.3656 9.5446 9.5446 10.9502 10.9502 12.5050 12.5050 14.7142 14.7429 k = 0.1098 0.5000 0.5800 ( 1868 PWs) bands (ev): -30.8103 -30.8103 -12.3097 -12.3097 -11.9069 -11.9069 -11.7173 -11.7173 -9.1574 -9.1574 -8.6286 -8.6286 3.1172 3.1172 4.1422 4.1422 4.4750 4.4750 4.8520 4.8520 5.0296 5.0296 6.1789 6.1789 8.1713 8.1713 9.3369 9.3369 9.3827 9.3827 9.5480 9.5480 11.0009 11.0009 12.4209 12.4209 14.7043 14.7043 k = 0.1220 0.5000 0.5800 ( 1868 PWs) bands (ev): -30.8101 -30.8101 -12.3068 -12.3068 -11.9062 -11.9062 -11.7192 -11.7192 -9.1501 -9.1501 -8.6360 -8.6360 3.1124 3.1124 4.1567 4.1567 4.4425 4.4425 4.7918 4.7918 5.0171 5.0171 6.2296 6.2296 8.1992 8.1992 9.3457 9.3457 9.4002 9.4002 9.5518 9.5518 11.0568 11.0568 12.3347 12.3347 14.6932 14.6932 k = 0.1341 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8100 -30.8100 -12.3038 -12.3038 -11.9055 -11.9055 -11.7213 -11.7213 -9.1423 -9.1423 -8.6440 -8.6440 3.1068 3.1068 4.1723 4.1723 4.4092 4.4092 4.7286 4.7286 5.0038 5.0038 6.2827 6.2827 8.2296 8.2296 9.3550 9.3550 9.4175 9.4175 9.5561 9.5561 11.1175 11.1175 12.2473 12.2473 14.6812 14.6812 k = 0.1463 0.5000 0.5800 ( 1868 PWs) bands (ev): -30.8098 -30.8098 -12.3005 -12.3005 -11.9048 -11.9048 -11.7235 -11.7235 -9.1339 -9.1339 -8.6526 -8.6526 3.1003 3.1003 4.1891 4.1891 4.3755 4.3755 4.6633 4.6633 4.9897 4.9897 6.3378 6.3378 8.2623 8.2623 9.3647 9.3647 9.4339 9.4339 9.5609 9.5609 11.1824 11.1824 12.1591 12.1591 14.6682 14.6682 k = 0.1585 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8096 -30.8096 -12.2972 -12.2972 -11.9040 -11.9040 -11.7259 -11.7259 -9.1249 -9.1249 -8.6618 -8.6618 3.0928 3.0928 4.2069 4.2069 4.3416 4.3416 4.5965 4.5965 4.9750 4.9750 6.3945 6.3945 8.2972 8.2972 9.3751 9.3751 9.4494 9.4494 9.5662 9.5662 11.2513 11.2513 12.0706 12.0706 14.6544 14.6544 k = 0.1707 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8094 -30.8094 -12.2936 -12.2936 -11.9031 -11.9031 -11.7283 -11.7283 -9.1155 -9.1155 -8.6714 -8.6714 3.0843 3.0843 4.2256 4.2256 4.3078 4.3078 4.5290 4.5290 4.9598 4.9598 6.4524 6.4524 8.3341 8.3341 9.3859 9.3859 9.4638 9.4638 9.5720 9.5720 11.3234 11.3234 11.9819 11.9819 14.6398 14.6398 k = 0.1829 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8092 -30.8092 -12.2899 -12.2899 -11.9021 -11.9021 -11.7307 -11.7307 -9.1056 -9.1056 -8.6815 -8.6815 3.0746 3.0746 4.2446 4.2446 4.2750 4.2750 4.4615 4.4615 4.9441 4.9441 6.5112 6.5112 8.3732 8.3732 9.3973 9.3973 9.4771 9.4771 9.5784 9.5784 11.3984 11.3984 11.8936 11.8936 14.6246 14.6246 k = 0.1951 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8090 -30.8090 -12.2862 -12.2862 -11.9011 -11.9011 -11.7334 -11.7334 -9.0953 -9.0953 -8.6919 -8.6919 3.0635 3.0635 4.2392 4.2392 4.2675 4.2675 4.3946 4.3946 4.9282 4.9282 6.5706 6.5706 8.4139 8.4139 9.4091 9.4091 9.4890 9.4890 9.5851 9.5851 11.4755 11.4755 11.8056 11.8056 14.6088 14.6089 k = 0.2073 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8088 -30.8088 -12.2823 -12.2823 -11.9000 -11.9000 -11.7359 -11.7359 -9.0847 -9.0847 -8.7027 -8.7027 3.0510 3.0510 4.2075 4.2075 4.2878 4.2878 4.3288 4.3288 4.9120 4.9120 6.6303 6.6303 8.4565 8.4565 9.4214 9.4214 9.4999 9.4999 9.5923 9.5923 11.5544 11.5544 11.7183 11.7183 14.5926 14.5926 k = 0.2195 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8086 -30.8086 -12.2784 -12.2784 -11.8989 -11.8989 -11.7385 -11.7385 -9.0739 -9.0739 -8.7137 -8.7137 3.0370 3.0370 4.1758 4.1758 4.2649 4.2649 4.3092 4.3092 4.8958 4.8958 6.6900 6.6900 8.5006 8.5006 9.4339 9.4339 9.5098 9.5098 9.5996 9.5996 11.6316 11.6316 11.6342 11.6342 14.5758 14.5758 k = 0.2317 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8084 -30.8084 -12.2745 -12.2745 -11.8976 -11.8976 -11.7411 -11.7411 -9.0628 -9.0628 -8.7249 -8.7249 3.0213 3.0213 4.1448 4.1448 4.2033 4.2033 4.3312 4.3312 4.8795 4.8795 6.7495 6.7495 8.5462 8.5462 9.4467 9.4467 9.5188 9.5188 9.6070 9.6070 11.5457 11.5457 11.7146 11.7146 14.5588 14.5588 k = 0.2439 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8082 -30.8082 -12.2706 -12.2706 -11.8963 -11.8963 -11.7437 -11.7437 -9.0516 -9.0516 -8.7363 -8.7363 3.0038 3.0038 4.1145 4.1145 4.1447 4.1447 4.3534 4.3534 4.8634 4.8634 6.8085 6.8085 8.5932 8.5932 9.4596 9.4596 9.5273 9.5273 9.6144 9.6144 11.4608 11.4608 11.7951 11.7951 14.5414 14.5414 k = 0.2561 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8079 -30.8079 -12.2668 -12.2668 -11.8950 -11.8950 -11.7462 -11.7462 -9.0403 -9.0403 -8.7477 -8.7477 2.9846 2.9846 4.0826 4.0826 4.0919 4.0919 4.3758 4.3758 4.8474 4.8474 6.8667 6.8667 8.6414 8.6414 9.4726 9.4726 9.5353 9.5353 9.6217 9.6217 11.3767 11.3767 11.8752 11.8752 14.5239 14.5239 k = 0.2683 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8077 -30.8077 -12.2630 -12.2630 -11.8936 -11.8936 -11.7487 -11.7487 -9.0289 -9.0289 -8.7591 -8.7591 2.9636 2.9636 4.0351 4.0351 4.0593 4.0593 4.3982 4.3982 4.8317 4.8317 6.9240 6.9240 8.6909 8.6909 9.4853 9.4853 9.5431 9.5431 9.6288 9.6288 11.2938 11.2938 11.9543 11.9543 14.5063 14.5063 k = 0.2805 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8075 -30.8075 -12.2593 -12.2593 -11.8921 -11.8921 -11.7512 -11.7512 -9.0177 -9.0177 -8.7704 -8.7704 2.9409 2.9409 3.9870 3.9870 4.0322 4.0322 4.4205 4.4205 4.8164 4.8164 6.9800 6.9800 8.7415 8.7415 9.4977 9.4977 9.5510 9.5510 9.6357 9.6357 11.2118 11.2118 12.0320 12.0320 14.4887 14.4887 k = 0.2927 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8073 -30.8073 -12.2557 -12.2557 -11.8906 -11.8906 -11.7535 -11.7535 -9.0065 -9.0065 -8.7816 -8.7816 2.9165 2.9165 3.9426 3.9426 4.0066 4.0066 4.4425 4.4425 4.8014 4.8014 7.0346 7.0346 8.7930 8.7930 9.5094 9.5094 9.5591 9.5591 9.6422 9.6422 11.1310 11.1310 12.1079 12.1079 14.4712 14.4712 k = 0.3049 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8071 -30.8071 -12.2522 -12.2522 -11.8892 -11.8892 -11.7558 -11.7558 -8.9956 -8.9956 -8.7926 -8.7926 2.8908 2.8908 3.9021 3.9021 3.9824 3.9824 4.4642 4.4642 4.7870 4.7870 7.0874 7.0874 8.8454 8.8454 9.5201 9.5201 9.5676 9.5676 9.6484 9.6484 11.0513 11.0513 12.1816 12.1816 14.4538 14.4538 k = 0.3171 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8069 -30.8069 -12.2489 -12.2489 -11.8877 -11.8877 -11.7580 -11.7580 -8.9849 -8.9849 -8.8033 -8.8033 2.8640 2.8640 3.8654 3.8654 3.9595 3.9595 4.4853 4.4853 4.7732 4.7732 7.1384 7.1384 8.8985 8.8985 9.5298 9.5298 9.5769 9.5769 9.6542 9.6542 10.9728 10.9728 12.2527 12.2527 14.4368 14.4368 k = 0.3293 0.5000 0.5800 ( 1876 PWs) bands (ev): -30.8067 -30.8067 -12.2458 -12.2458 -11.8861 -11.8861 -11.7601 -11.7601 -8.9745 -8.9745 -8.8137 -8.8137 2.8363 2.8363 3.8327 3.8327 3.9379 3.9379 4.5058 4.5058 4.7599 4.7599 7.1873 7.1873 8.9523 8.9523 9.5383 9.5383 9.5869 9.5869 9.6598 9.6598 10.8956 10.8956 12.3211 12.3211 14.4201 14.4201 k = 0.3415 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8065 -30.8065 -12.2428 -12.2428 -11.8846 -11.8846 -11.7620 -11.7620 -8.9645 -8.9645 -8.8237 -8.8237 2.8083 2.8083 3.8036 3.8036 3.9178 3.9178 4.5255 4.5255 4.7474 4.7474 7.2338 7.2338 9.0067 9.0067 9.5455 9.5455 9.5974 9.5974 9.6650 9.6650 10.8196 10.8196 12.3861 12.3861 14.4039 14.4039 k = 0.3537 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8063 -30.8063 -12.2401 -12.2401 -11.8831 -11.8831 -11.7638 -11.7638 -8.9549 -8.9549 -8.8332 -8.8332 2.7803 2.7803 3.7779 3.7779 3.8990 3.8990 4.5443 4.5443 4.7356 4.7356 7.2778 7.2778 9.0615 9.0615 9.5518 9.5518 9.6083 9.6083 9.6699 9.6699 10.7449 10.7449 12.4477 12.4477 14.3882 14.3882 k = 0.3659 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8061 -30.8061 -12.2375 -12.2375 -11.8817 -11.8817 -11.7655 -11.7655 -8.9459 -8.9459 -8.8422 -8.8422 2.7527 2.7527 3.7555 3.7555 3.8817 3.8817 4.5621 4.5621 4.7245 4.7245 7.3191 7.3191 9.1165 9.1165 9.5573 9.5573 9.6192 9.6192 9.6745 9.6745 10.6716 10.6716 12.5055 12.5055 14.3732 14.3732 k = 0.3780 0.5000 0.5800 ( 1872 PWs) bands (ev): -30.8059 -30.8059 -12.2352 -12.2352 -11.8803 -11.8803 -11.7670 -11.7670 -8.9374 -8.9374 -8.8506 -8.8506 2.7260 2.7260 3.7360 3.7360 3.8659 3.8659 4.5788 4.5788 4.7143 4.7143 7.3575 7.3575 9.1716 9.1716 9.5623 9.5623 9.6300 9.6300 9.6789 9.6789 10.5999 10.5999 12.5592 12.5592 14.3591 14.3592 k = 0.3902 0.5000 0.5800 ( 1884 PWs) bands (ev): -30.8058 -30.8058 -12.2331 -12.2331 -11.8790 -11.8790 -11.7684 -11.7684 -8.9296 -8.9296 -8.8584 -8.8584 2.7005 2.7005 3.7192 3.7192 3.8515 3.8515 4.5942 4.5942 4.7050 4.7050 7.3927 7.3927 9.2265 9.2265 9.5666 9.5666 9.6402 9.6402 9.6829 9.6829 10.5297 10.5297 12.6087 12.6087 14.3457 14.3459 k = 0.4024 0.5000 0.5800 ( 1888 PWs) bands (ev): -30.8057 -30.8057 -12.2312 -12.2312 -11.8778 -11.8778 -11.7697 -11.7697 -8.9225 -8.9225 -8.8654 -8.8654 2.6767 2.6767 3.7048 3.7048 3.8385 3.8385 4.6082 4.6082 4.6965 4.6965 7.4247 7.4247 9.2809 9.2809 9.5706 9.5706 9.6498 9.6498 9.6868 9.6868 10.4614 10.4614 12.6535 12.6535 14.3333 14.3353 k = 0.4146 0.5000 0.5800 ( 1884 PWs) bands (ev): -30.8055 -30.8055 -12.2295 -12.2295 -11.8766 -11.8766 -11.7708 -11.7708 -8.9162 -8.9162 -8.8718 -8.8718 2.6549 2.6549 3.6927 3.6927 3.8271 3.8271 4.6209 4.6209 4.6890 4.6890 7.4534 7.4534 9.3343 9.3343 9.5745 9.5745 9.6588 9.6588 9.6905 9.6905 10.3953 10.3953 12.6938 12.6938 14.3221 14.3238 k = 0.4268 0.5000 0.5800 ( 1884 PWs) bands (ev): -30.8054 -30.8054 -12.2280 -12.2280 -11.8756 -11.8756 -11.7717 -11.7717 -8.9106 -8.9106 -8.8772 -8.8772 2.6354 2.6354 3.6826 3.6826 3.8172 3.8172 4.6320 4.6320 4.6824 4.6824 7.4785 7.4785 9.3858 9.3858 9.5783 9.5783 9.6670 9.6670 9.6941 9.6941 10.3317 10.3317 12.7292 12.7292 14.3121 14.3135 k = 0.4390 0.5000 0.5800 ( 1884 PWs) bands (ev): -30.8054 -30.8054 -12.2268 -12.2268 -11.8748 -11.8748 -11.7725 -11.7725 -8.9060 -8.9060 -8.8818 -8.8818 2.6184 2.6184 3.6743 3.6743 3.8088 3.8088 4.6415 4.6415 4.6768 4.6768 7.4999 7.4999 9.4342 9.4342 9.5825 9.5825 9.6745 9.6745 9.6975 9.6975 10.2715 10.2715 12.7594 12.7594 14.3051 14.3195 k = 0.4512 0.5000 0.5800 ( 1888 PWs) bands (ev): -30.8053 -30.8053 -12.2258 -12.2258 -11.8740 -11.8740 -11.7732 -11.7732 -8.9023 -8.9023 -8.8854 -8.8854 2.6043 2.6043 3.6678 3.6678 3.8019 3.8019 4.6494 4.6494 4.6723 4.6723 7.5176 7.5176 9.4772 9.4772 9.5877 9.5877 9.6815 9.6815 9.7007 9.7007 10.2158 10.2158 12.7843 12.7843 14.2969 14.3016 k = 0.4634 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8052 -30.8052 -12.2250 -12.2250 -11.8734 -11.8734 -11.7737 -11.7737 -8.8998 -8.8998 -8.8879 -8.8879 2.5931 2.5931 3.6628 3.6628 3.7965 3.7965 4.6554 4.6554 4.6688 4.6688 7.5314 7.5314 9.5118 9.5118 9.5951 9.5951 9.6885 9.6885 9.7037 9.7037 10.1664 10.1664 12.8039 12.8039 14.2908 14.2971 k = 0.4756 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8052 -30.8052 -12.2245 -12.2245 -11.8730 -11.8730 -11.7740 -11.7740 -8.8986 -8.8986 -8.8891 -8.8891 2.5849 2.5849 3.6593 3.6593 3.7927 3.7927 4.6595 4.6595 4.6666 4.6666 7.5413 7.5413 9.5345 9.5345 9.6048 9.6048 9.6953 9.6953 9.7065 9.7065 10.1261 10.1261 12.8180 12.8180 14.2861 14.2931 k = 0.4878 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8051 -30.8051 -12.2241 -12.2241 -11.8728 -11.8728 -11.7742 -11.7742 -8.8982 -8.8982 -8.8895 -8.8895 2.5800 2.5800 3.6573 3.6573 3.7904 3.7904 4.6614 4.6614 4.6659 4.6659 7.5473 7.5473 9.5458 9.5458 9.6136 9.6136 9.7002 9.7002 9.7095 9.7095 10.0990 10.0990 12.8265 12.8265 14.2823 14.2843 k = 0.5000 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8051 -30.8051 -12.2240 -12.2240 -11.8727 -11.8727 -11.7743 -11.7743 -8.8982 -8.8982 -8.8895 -8.8895 2.5784 2.5784 3.6566 3.6566 3.7896 3.7896 4.6617 4.6617 4.6660 4.6660 7.5493 7.5493 9.5490 9.5490 9.6171 9.6171 9.7018 9.7018 9.7112 9.7112 10.0893 10.0893 12.8293 12.8293 14.2817 14.2850 k = 0.5000 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8051 -30.8051 -12.2240 -12.2240 -11.8727 -11.8727 -11.7743 -11.7743 -8.8982 -8.8982 -8.8895 -8.8895 2.5784 2.5784 3.6566 3.6566 3.7896 3.7896 4.6617 4.6617 4.6660 4.6660 7.5493 7.5493 9.5490 9.5490 9.6171 9.6171 9.7018 9.7018 9.7112 9.7112 10.0893 10.0893 12.8293 12.8293 14.2805 14.2813 k = 0.4914 0.4914 0.5800 ( 1880 PWs) bands (ev): -30.8051 -30.8051 -12.2241 -12.2241 -11.8728 -11.8728 -11.7742 -11.7742 -8.8982 -8.8982 -8.8895 -8.8895 2.5800 2.5800 3.6573 3.6573 3.7904 3.7904 4.6614 4.6614 4.6659 4.6659 7.5473 7.5473 9.5458 9.5458 9.6136 9.6136 9.7002 9.7002 9.7095 9.7095 10.0990 10.0990 12.8265 12.8265 14.2827 14.2854 k = 0.4828 0.4828 0.5800 ( 1880 PWs) bands (ev): -30.8052 -30.8052 -12.2245 -12.2245 -11.8730 -11.8730 -11.7740 -11.7740 -8.8983 -8.8983 -8.8894 -8.8894 2.5850 2.5850 3.6593 3.6593 3.7927 3.7927 4.6600 4.6600 4.6661 4.6661 7.5413 7.5413 9.5352 9.5352 9.6042 9.6042 9.6952 9.6952 9.7062 9.7062 10.1263 10.1263 12.8180 12.8180 14.2877 14.2929 k = 0.4741 0.4741 0.5800 ( 1880 PWs) bands (ev): -30.8052 -30.8052 -12.2250 -12.2250 -11.8734 -11.8734 -11.7737 -11.7737 -8.8985 -8.8985 -8.8892 -8.8892 2.5931 2.5931 3.6627 3.6627 3.7965 3.7965 4.6569 4.6569 4.6673 4.6673 7.5315 7.5315 9.5149 9.5149 9.5925 9.5925 9.6881 9.6881 9.7028 9.7028 10.1670 10.1670 12.8040 12.8040 14.2916 14.2947 k = 0.4655 0.4655 0.5800 ( 1880 PWs) bands (ev): -30.8053 -30.8053 -12.2258 -12.2258 -11.8740 -11.8740 -11.7732 -11.7732 -8.8991 -8.8991 -8.8887 -8.8887 2.6045 2.6045 3.6675 3.6675 3.8020 3.8020 4.6521 4.6521 4.6695 4.6695 7.5177 7.5177 9.4845 9.4845 9.5814 9.5814 9.6804 9.6804 9.6991 9.6991 10.2175 10.2175 12.7847 12.7847 14.2984 14.3138 k = 0.4569 0.4569 0.5800 ( 1886 PWs) bands (ev): -30.8054 -30.8054 -12.2268 -12.2268 -11.8748 -11.8748 -11.7726 -11.7726 -8.9001 -8.9001 -8.8877 -8.8877 2.6190 2.6190 3.6735 3.6735 3.8090 3.8090 4.6459 4.6459 4.6724 4.6724 7.5002 7.5002 9.4465 9.4465 9.5712 9.5712 9.6722 9.6722 9.6949 9.6949 10.2748 10.2748 12.7600 12.7600 14.3080 14.3088 k = 0.4483 0.4483 0.5800 ( 1886 PWs) bands (ev): -30.8054 -30.8054 -12.2281 -12.2281 -11.8756 -11.8756 -11.7718 -11.7718 -8.9016 -8.9016 -8.8862 -8.8862 2.6367 2.6367 3.6809 3.6809 3.8177 3.8177 4.6382 4.6382 4.6760 4.6760 7.4791 7.4791 9.4039 9.4039 9.5610 9.5610 9.6634 9.6634 9.6904 9.6904 10.3371 10.3371 12.7304 12.7304 14.3181 14.3187 k = 0.4397 0.4397 0.5800 ( 1894 PWs) bands (ev): -30.8056 -30.8056 -12.2296 -12.2296 -11.8767 -11.8767 -11.7709 -11.7709 -8.9036 -8.9036 -8.8842 -8.8842 2.6573 2.6573 3.6896 3.6896 3.8280 3.8280 4.6291 4.6291 4.6804 4.6804 7.4545 7.4545 9.3588 9.3588 9.5501 9.5501 9.6532 9.6532 9.6855 9.6855 10.4033 10.4033 12.6961 12.6961 14.3307 14.3311 k = 0.4310 0.4310 0.5800 ( 1892 PWs) bands (ev): -30.8057 -30.8057 -12.2314 -12.2314 -11.8778 -11.8778 -11.7698 -11.7698 -8.9060 -8.9060 -8.8818 -8.8818 2.6808 2.6808 3.6996 3.6996 3.8401 3.8401 4.6187 4.6187 4.6854 4.6854 7.4267 7.4267 9.3125 9.3125 9.5381 9.5381 9.6422 9.6422 9.6805 9.6805 10.4727 10.4727 12.6572 12.6572 14.3451 14.3451 k = 0.4224 0.4224 0.5800 ( 1884 PWs) bands (ev): -30.8058 -30.8058 -12.2334 -12.2334 -11.8790 -11.8790 -11.7686 -11.7686 -8.9087 -8.9087 -8.8789 -8.8789 2.7071 2.7071 3.7108 3.7108 3.8540 3.8540 4.6070 4.6070 4.6911 4.6911 7.3959 7.3959 9.2658 9.2658 9.5247 9.5247 9.6297 9.6297 9.6754 9.6754 10.5447 10.5447 12.6142 12.6142 14.3614 14.3614 k = 0.4138 0.4138 0.5800 ( 1888 PWs) bands (ev): -30.8060 -30.8060 -12.2357 -12.2357 -11.8803 -11.8803 -11.7673 -11.7673 -8.9117 -8.9117 -8.8758 -8.8758 2.7360 2.7360 3.7232 3.7232 3.8698 3.8698 4.5940 4.5940 4.6974 4.6974 7.3621 7.3621 9.2192 9.2192 9.5099 9.5099 9.6157 9.6157 9.6701 9.6701 10.6188 10.6188 12.5671 12.5671 14.3793 14.3793 k = 0.4052 0.4052 0.5800 ( 1888 PWs) bands (ev): -30.8062 -30.8062 -12.2383 -12.2383 -11.8817 -11.8817 -11.7659 -11.7659 -8.9151 -8.9151 -8.8722 -8.8722 2.7674 2.7674 3.7367 3.7367 3.8875 3.8875 4.5798 4.5798 4.7045 4.7045 7.3258 7.3258 9.1731 9.1731 9.4935 9.4935 9.6002 9.6002 9.6648 9.6648 10.6950 10.6950 12.5161 12.5161 14.3989 14.3989 k = 0.3966 0.3966 0.5800 ( 1880 PWs) bands (ev): -30.8063 -30.8063 -12.2411 -12.2411 -11.8831 -11.8831 -11.7643 -11.7643 -8.9186 -8.9186 -8.8684 -8.8684 2.8010 2.8010 3.7514 3.7514 3.9073 3.9073 4.5645 4.5645 4.7122 4.7122 7.2872 7.2872 9.1277 9.1277 9.4757 9.4757 9.5833 9.5833 9.6595 9.6595 10.7730 10.7730 12.4616 12.4616 14.4202 14.4202 k = 0.3879 0.3879 0.5800 ( 1880 PWs) bands (ev): -30.8065 -30.8065 -12.2443 -12.2443 -11.8846 -11.8846 -11.7626 -11.7626 -8.9224 -8.9224 -8.8642 -8.8642 2.8368 2.8368 3.7670 3.7670 3.9293 3.9293 4.5481 4.5481 4.7205 4.7205 7.2464 7.2464 9.0831 9.0831 9.4563 9.4563 9.5649 9.5649 9.6540 9.6540 10.8525 10.8525 12.4036 12.4036 14.4430 14.4430 k = 0.3793 0.3793 0.5800 ( 1884 PWs) bands (ev): -30.8067 -30.8067 -12.2478 -12.2478 -11.8861 -11.8861 -11.7609 -11.7609 -8.9264 -8.9264 -8.8597 -8.8597 2.8744 2.8744 3.7836 3.7836 3.9536 3.9536 4.5306 4.5306 4.7295 4.7295 7.2038 7.2038 9.0394 9.0394 9.4353 9.4353 9.5451 9.5451 9.6484 9.6484 10.9336 10.9336 12.3424 12.3424 14.4672 14.4673 k = 0.3707 0.3707 0.5800 ( 1888 PWs) bands (ev): -30.8070 -30.8070 -12.2516 -12.2516 -11.8876 -11.8876 -11.7590 -11.7590 -8.9305 -8.9305 -8.8550 -8.8550 2.9137 2.9137 3.8012 3.8012 3.9803 3.9803 4.5120 4.5120 4.7392 4.7392 7.1597 7.1597 8.9968 8.9968 9.4128 9.4128 9.5239 9.5239 9.6427 9.6427 11.0160 11.0160 12.2783 12.2783 14.4929 14.4929 k = 0.3621 0.3621 0.5800 ( 1892 PWs) bands (ev): -30.8072 -30.8072 -12.2557 -12.2557 -11.8891 -11.8891 -11.7570 -11.7570 -8.9348 -8.9348 -8.8500 -8.8500 2.9544 2.9544 3.8195 3.8195 4.0095 4.0095 4.4925 4.4925 4.7495 4.7495 7.1144 7.1144 8.9552 8.9552 9.3888 9.3888 9.5014 9.5014 9.6369 9.6369 11.0996 11.0996 12.2113 12.2113 14.5198 14.5198 k = 0.3534 0.3534 0.5800 ( 1896 PWs) bands (ev): -30.8075 -30.8075 -12.2602 -12.2602 -11.8905 -11.8905 -11.7549 -11.7549 -8.9392 -8.9392 -8.8447 -8.8447 2.9963 2.9963 3.8386 3.8386 4.0415 4.0415 4.4722 4.4722 4.7604 4.7604 7.0681 7.0681 8.9148 8.9148 9.3634 9.3634 9.4775 9.4775 9.6310 9.6310 11.1843 11.1843 12.1416 12.1416 14.5481 14.5481 k = 0.3448 0.3448 0.5800 ( 1888 PWs) bands (ev): -30.8077 -30.8077 -12.2649 -12.2649 -11.8918 -11.8918 -11.7527 -11.7527 -8.9437 -8.9437 -8.8392 -8.8392 3.0390 3.0390 3.8583 3.8583 4.0764 4.0764 4.4510 4.4510 4.7719 4.7719 7.0211 7.0211 8.8755 8.8755 9.3367 9.3367 9.4524 9.4524 9.6250 9.6250 11.2700 11.2700 12.0698 12.0698 14.5776 14.5776 k = 0.3362 0.3362 0.5800 ( 1882 PWs) bands (ev): -30.8080 -30.8080 -12.2700 -12.2700 -11.8931 -11.8931 -11.7504 -11.7504 -8.9482 -8.9482 -8.8334 -8.8334 3.0824 3.0824 3.8786 3.8786 4.1143 4.1143 4.4290 4.4290 4.7841 4.7841 6.9739 6.9739 8.8375 8.8375 9.3087 9.3087 9.4261 9.4261 9.6189 9.6189 11.3565 11.3565 11.9955 11.9955 14.6083 14.6083 k = 0.3276 0.3276 0.5800 ( 1882 PWs) bands (ev): -30.8082 -30.8082 -12.2754 -12.2754 -11.8943 -11.8943 -11.7481 -11.7481 -8.9528 -8.9528 -8.8274 -8.8274 3.1260 3.1260 3.8993 3.8993 4.1553 4.1553 4.4064 4.4064 4.7969 4.7969 6.9266 6.9266 8.8006 8.8006 9.2794 9.2794 9.3984 9.3984 9.6125 9.6125 11.4437 11.4437 11.9191 11.9191 14.6399 14.6399 k = 0.3190 0.3190 0.5800 ( 1882 PWs) bands (ev): -30.8085 -30.8085 -12.2811 -12.2811 -11.8954 -11.8954 -11.7456 -11.7456 -8.9574 -8.9574 -8.8213 -8.8213 3.1698 3.1698 3.9203 3.9203 4.1996 4.1996 4.3831 4.3831 4.8102 4.8102 6.8795 6.8795 8.7649 8.7649 9.2490 9.2490 9.3696 9.3696 9.6059 9.6059 11.5314 11.5314 11.8408 11.8408 14.6726 14.6726 k = 0.3103 0.3103 0.5800 ( 1878 PWs) bands (ev): -30.8088 -30.8088 -12.2871 -12.2871 -11.8964 -11.8964 -11.7432 -11.7432 -8.9621 -8.9621 -8.8149 -8.8149 3.2134 3.2134 3.9414 3.9414 4.2472 4.2472 4.3593 4.3593 4.8242 4.8242 6.8330 6.8330 8.7304 8.7304 9.2175 9.2175 9.3395 9.3395 9.5992 9.5992 11.6195 11.6195 11.7608 11.7608 14.7062 14.7062 k = 0.3017 0.3017 0.5800 ( 1880 PWs) bands (ev): -30.8091 -30.8091 -12.2934 -12.2934 -11.8972 -11.8972 -11.7406 -11.7406 -8.9666 -8.9666 -8.8084 -8.8084 3.2566 3.2566 3.9626 3.9626 4.2982 4.2982 4.3351 4.3351 4.8387 4.8387 6.7874 6.7874 8.6971 8.6971 9.1849 9.1849 9.3083 9.3083 9.5922 9.5922 11.6789 11.6789 11.7078 11.7078 14.7406 14.7406 k = 0.2931 0.2931 0.5800 ( 1876 PWs) bands (ev): -30.8094 -30.8094 -12.3000 -12.3000 -11.8979 -11.8979 -11.7380 -11.7380 -8.9712 -8.9712 -8.8018 -8.8018 3.2992 3.2992 3.9837 3.9837 4.3101 4.3101 4.3531 4.3531 4.8538 4.8538 6.7430 6.7430 8.6651 8.6651 9.1514 9.1514 9.2761 9.2761 9.5850 9.5850 11.5959 11.5959 11.7958 11.7958 14.7758 14.7758 k = 0.2845 0.2845 0.5800 ( 1886 PWs) bands (ev): -30.8097 -30.8097 -12.3069 -12.3069 -11.8986 -11.8986 -11.7355 -11.7355 -8.9757 -8.9757 -8.7950 -8.7950 3.3411 3.3411 4.0045 4.0045 4.2852 4.2852 4.4109 4.4109 4.8694 4.8694 6.7001 6.7001 8.6341 8.6341 9.1170 9.1170 9.2427 9.2427 9.5774 9.5774 11.5115 11.5115 11.8836 11.8836 14.8115 14.8115 k = 0.2759 0.2759 0.5800 ( 1890 PWs) bands (ev): -30.8100 -30.8100 -12.3140 -12.3140 -11.8991 -11.8991 -11.7328 -11.7328 -8.9801 -8.9801 -8.7881 -8.7881 3.3821 3.3821 4.0248 4.0248 4.2599 4.2599 4.4722 4.4722 4.8854 4.8854 6.6589 6.6589 8.6044 8.6044 9.0818 9.0818 9.2084 9.2084 9.5697 9.5697 11.4260 11.4260 11.9709 11.9709 14.8480 14.8480 k = 0.2672 0.2672 0.5800 ( 1878 PWs) bands (ev): -30.8103 -30.8103 -12.3213 -12.3213 -11.8994 -11.8994 -11.7301 -11.7301 -8.9844 -8.9844 -8.7812 -8.7812 3.4222 3.4222 4.0446 4.0446 4.2345 4.2345 4.5369 4.5369 4.9020 4.9020 6.6199 6.6199 8.5759 8.5759 9.0460 9.0460 9.1731 9.1731 9.5619 9.5619 11.3396 11.3396 12.0573 12.0573 14.8849 14.8849 k = 0.2586 0.2586 0.5800 ( 1878 PWs) bands (ev): -30.8107 -30.8107 -12.3289 -12.3289 -11.8996 -11.8996 -11.7274 -11.7274 -8.9886 -8.9886 -8.7741 -8.7741 3.4612 3.4612 4.0636 4.0636 4.2089 4.2089 4.6047 4.6047 4.9190 4.9190 6.5831 6.5831 8.5486 8.5486 9.0095 9.0095 9.1369 9.1369 9.5537 9.5537 11.2524 11.2524 12.1426 12.1426 14.9175 14.9185 k = 0.2500 0.2500 0.5800 ( 1878 PWs) bands (ev): -30.8110 -30.8110 -12.3366 -12.3366 -11.8997 -11.8997 -11.7246 -11.7246 -8.9927 -8.9927 -8.7671 -8.7671 3.4992 3.4992 4.0816 4.0816 4.1834 4.1834 4.6756 4.6756 4.9365 4.9365 6.5491 6.5491 8.5224 8.5224 8.9724 8.9724 9.0998 9.0998 9.5452 9.5452 11.1645 11.1645 12.2263 12.2263 14.8788 14.8788 k = 0.2414 0.2414 0.5800 ( 1878 PWs) bands (ev): -30.8113 -30.8113 -12.3444 -12.3444 -11.8997 -11.8997 -11.7219 -11.7219 -8.9966 -8.9966 -8.7600 -8.7600 3.5361 3.5361 4.0984 4.0984 4.1580 4.1580 4.7492 4.7492 4.9543 4.9543 6.5179 6.5179 8.4973 8.4973 8.9349 8.9349 9.0618 9.0618 9.5364 9.5364 11.0762 11.0762 12.3080 12.3081 14.8359 14.8359 k = 0.2328 0.2328 0.5800 ( 1874 PWs) bands (ev): -30.8116 -30.8116 -12.3523 -12.3523 -11.8995 -11.8995 -11.7192 -11.7192 -9.0005 -9.0005 -8.7528 -8.7528 3.5719 3.5719 4.1133 4.1133 4.1334 4.1334 4.8254 4.8254 4.9725 4.9725 6.4898 6.4898 8.4734 8.4734 8.8971 8.8971 9.0232 9.0232 9.5273 9.5273 10.9876 10.9876 12.3876 12.3876 14.7955 14.7955 k = 0.2241 0.2241 0.5800 ( 1874 PWs) bands (ev): -30.8119 -30.8119 -12.3604 -12.3604 -11.8992 -11.8992 -11.7165 -11.7165 -9.0042 -9.0042 -8.7457 -8.7457 3.6067 3.6067 4.1060 4.1060 4.1297 4.1297 4.9039 4.9039 4.9910 4.9910 6.4650 6.4650 8.4505 8.4505 8.8590 8.8590 8.9837 8.9837 9.5180 9.5180 10.8989 10.8989 12.4643 12.4643 14.7578 14.7578 k = 0.2155 0.2155 0.5800 ( 1870 PWs) bands (ev): -30.8122 -30.8122 -12.3685 -12.3685 -11.8989 -11.8989 -11.7138 -11.7138 -9.0077 -9.0077 -8.7387 -8.7387 3.6405 3.6405 4.0816 4.0816 4.1418 4.1418 4.9842 4.9842 5.0101 5.0101 6.4438 6.4438 8.4288 8.4288 8.8207 8.8207 8.9437 8.9437 9.5083 9.5083 10.8102 10.8102 12.5379 12.5379 14.7233 14.7233 k = 0.2069 0.2069 0.5800 ( 1862 PWs) bands (ev): -30.8125 -30.8125 -12.3765 -12.3765 -11.8984 -11.8984 -11.7111 -11.7111 -9.0111 -9.0111 -8.7317 -8.7317 3.6732 3.6732 4.0572 4.0572 4.1528 4.1528 5.0283 5.0283 5.0673 5.0673 6.4262 6.4262 8.4081 8.4081 8.7825 8.7825 8.9030 8.9030 9.4984 9.4984 10.7218 10.7218 12.6078 12.6078 14.6924 14.6924 k = 0.1983 0.1983 0.5800 ( 1854 PWs) bands (ev): -30.8128 -30.8128 -12.3846 -12.3846 -11.8978 -11.8978 -11.7084 -11.7084 -9.0143 -9.0143 -8.7248 -8.7248 3.7050 3.7050 4.0330 4.0330 4.1621 4.1621 5.0476 5.0476 5.1511 5.1511 6.4124 6.4124 8.3885 8.3885 8.7443 8.7443 8.8618 8.8618 9.4883 9.4883 10.6339 10.6339 12.6737 12.6737 14.6653 14.6653 k = 0.1897 0.1897 0.5800 ( 1862 PWs) bands (ev): -30.8131 -30.8131 -12.3927 -12.3927 -11.8973 -11.8973 -11.7059 -11.7059 -9.0174 -9.0174 -8.7179 -8.7179 3.7358 3.7358 4.0093 4.0093 4.1697 4.1697 5.0669 5.0669 5.2362 5.2362 6.4024 6.4024 8.3697 8.3697 8.7062 8.7062 8.8200 8.8200 9.4778 9.4778 10.5463 10.5463 12.7350 12.7350 14.6421 14.6421 k = 0.1810 0.1810 0.5800 ( 1854 PWs) bands (ev): -30.8134 -30.8134 -12.4006 -12.4006 -11.8966 -11.8966 -11.7033 -11.7033 -9.0203 -9.0203 -8.7112 -8.7112 3.7656 3.7656 3.9862 3.9862 4.1755 4.1755 5.0862 5.0862 5.3223 5.3223 6.3962 6.3962 8.3521 8.3521 8.6685 8.6685 8.7780 8.7780 9.4671 9.4671 10.4597 10.4597 12.7914 12.7914 14.6232 14.6233 k = 0.1724 0.1724 0.5800 ( 1850 PWs) bands (ev): -30.8137 -30.8137 -12.4084 -12.4084 -11.8958 -11.8958 -11.7008 -11.7008 -9.0230 -9.0230 -8.7047 -8.7047 3.7944 3.7944 3.9637 3.9637 4.1796 4.1796 5.1054 5.1054 5.4090 5.4090 6.3937 6.3937 8.3353 8.3353 8.6312 8.6312 8.7357 8.7357 9.4562 9.4562 10.3739 10.3739 12.8427 12.8427 14.6087 14.6087 k = 0.1638 0.1638 0.5800 ( 1846 PWs) bands (ev): -30.8139 -30.8139 -12.4161 -12.4161 -11.8950 -11.8950 -11.6984 -11.6984 -9.0256 -9.0256 -8.6983 -8.6983 3.8222 3.8222 3.9419 3.9419 4.1820 4.1820 5.1245 5.1245 5.4960 5.4960 6.3949 6.3949 8.3194 8.3194 8.5942 8.5942 8.6933 8.6933 9.4450 9.4450 10.2894 10.2894 12.8885 12.8885 14.5984 14.5984 k = 0.1552 0.1552 0.5800 ( 1854 PWs) bands (ev): -30.8142 -30.8142 -12.4236 -12.4236 -11.8943 -11.8943 -11.6961 -11.6961 -9.0281 -9.0281 -8.6921 -8.6921 3.8489 3.8489 3.9210 3.9210 4.1827 4.1827 5.1435 5.1435 5.5830 5.5830 6.3995 6.3995 8.3044 8.3044 8.5578 8.5578 8.6507 8.6507 9.4337 9.4337 10.2062 10.2062 12.9288 12.9288 14.5921 14.5921 k = 0.1466 0.1466 0.5800 ( 1854 PWs) bands (ev): -30.8145 -30.8145 -12.4309 -12.4309 -11.8935 -11.8935 -11.6939 -11.6939 -9.0303 -9.0303 -8.6861 -8.6861 3.8737 3.8737 3.9017 3.9017 4.1820 4.1820 5.1622 5.1622 5.6698 5.6698 6.4074 6.4074 8.2902 8.2902 8.5221 8.5221 8.6083 8.6083 9.4222 9.4222 10.1247 10.1247 12.9637 12.9637 14.5897 14.5897 k = 0.1379 0.1379 0.5800 ( 1858 PWs) bands (ev): -30.8147 -30.8147 -12.4379 -12.4379 -11.8927 -11.8927 -11.6918 -11.6918 -9.0325 -9.0325 -8.6803 -8.6803 3.8785 3.8785 3.9022 3.9022 4.1800 4.1800 5.1805 5.1805 5.7558 5.7558 6.4183 6.4183 8.2769 8.2769 8.4869 8.4869 8.5662 8.5662 9.4107 9.4107 10.0451 10.0451 12.9933 12.9933 14.5908 14.5908 k = 0.1293 0.1293 0.5800 ( 1854 PWs) bands (ev): -30.8150 -30.8150 -12.4447 -12.4447 -11.8919 -11.8919 -11.6897 -11.6897 -9.0344 -9.0344 -8.6747 -8.6747 3.8612 3.8612 3.9246 3.9246 4.1768 4.1768 5.1985 5.1985 5.8410 5.8410 6.4319 6.4319 8.2645 8.2645 8.4524 8.4524 8.5248 8.5248 9.3992 9.3992 9.9677 9.9677 13.0179 13.0179 14.5949 14.5949 k = 0.1207 0.1207 0.5800 ( 1854 PWs) bands (ev): -30.8152 -30.8152 -12.4511 -12.4511 -11.8911 -11.8911 -11.6878 -11.6878 -9.0362 -9.0362 -8.6695 -8.6695 3.8438 3.8438 3.9469 3.9469 4.1727 4.1727 5.2159 5.2159 5.9247 5.9247 6.4478 6.4478 8.2526 8.2526 8.4183 8.4183 8.4846 8.4846 9.3877 9.3877 9.8927 9.8927 13.0379 13.0379 14.6016 14.6016 k = 0.1121 0.1121 0.5800 ( 1854 PWs) bands (ev): -30.8154 -30.8154 -12.4573 -12.4573 -11.8903 -11.8903 -11.6859 -11.6859 -9.0379 -9.0379 -8.6645 -8.6645 3.8273 3.8273 3.9682 3.9682 4.1677 4.1677 5.2327 5.2327 6.0068 6.0068 6.4656 6.4656 8.2414 8.2414 8.3843 8.3843 8.4462 8.4462 9.3764 9.3764 9.8205 9.8205 13.0537 13.0537 14.6103 14.6103 k = 0.1034 0.1034 0.5800 ( 1848 PWs) bands (ev): -30.8156 -30.8156 -12.4631 -12.4631 -11.8895 -11.8895 -11.6842 -11.6842 -9.0394 -9.0394 -8.6598 -8.6598 3.8117 3.8117 3.9882 3.9882 4.1622 4.1622 5.2488 5.2488 6.0867 6.0867 6.4850 6.4850 8.2309 8.2309 8.3502 8.3502 8.4103 8.4103 9.3654 9.3654 9.7514 9.7514 13.0660 13.0660 14.6204 14.6204 k = 0.0948 0.0948 0.5800 ( 1844 PWs) bands (ev): -30.8158 -30.8158 -12.4684 -12.4684 -11.8887 -11.8887 -11.6825 -11.6825 -9.0408 -9.0408 -8.6554 -8.6554 3.7973 3.7973 4.0070 4.0070 4.1564 4.1564 5.2641 5.2641 6.1640 6.1640 6.5054 6.5054 8.2207 8.2207 8.3156 8.3156 8.3776 8.3776 9.3547 9.3547 9.6857 9.6857 13.0751 13.0751 14.6313 14.6313 k = 0.0862 0.0862 0.5800 ( 1848 PWs) bands (ev): -30.8159 -30.8159 -12.4735 -12.4735 -11.8881 -11.8881 -11.6811 -11.6811 -9.0420 -9.0420 -8.6513 -8.6513 3.7839 3.7839 4.0244 4.0244 4.1503 4.1503 5.2784 5.2784 6.2381 6.2381 6.5264 6.5264 8.2104 8.2104 8.2809 8.2809 8.3484 8.3484 9.3444 9.3444 9.6237 9.6237 13.0816 13.0816 14.6426 14.6426 k = 0.0776 0.0776 0.5800 ( 1844 PWs) bands (ev): -30.8161 -30.8161 -12.4781 -12.4781 -11.8874 -11.8874 -11.6797 -11.6797 -9.0432 -9.0432 -8.6476 -8.6476 3.7717 3.7717 4.0404 4.0404 4.1443 4.1443 5.2918 5.2918 6.3086 6.3086 6.5476 6.5476 8.1995 8.1995 8.2474 8.2474 8.3230 8.3230 9.3346 9.3346 9.5660 9.5660 13.0860 13.0860 14.6538 14.6538 k = 0.0690 0.0690 0.5800 ( 1840 PWs) bands (ev): -30.8162 -30.8162 -12.4823 -12.4823 -11.8868 -11.8868 -11.6784 -11.6784 -9.0441 -9.0441 -8.6442 -8.6442 3.7607 3.7607 4.0549 4.0549 4.1384 4.1384 5.3040 5.3040 6.3748 6.3748 6.5685 6.5685 8.1849 8.1849 8.2184 8.2184 8.3010 8.3010 9.3255 9.3255 9.5130 9.5130 13.0887 13.0887 14.6645 14.6645 k = 0.0603 0.0603 0.5800 ( 1838 PWs) bands (ev): -30.8163 -30.8163 -12.4860 -12.4860 -11.8862 -11.8862 -11.6773 -11.6773 -9.0450 -9.0450 -8.6413 -8.6413 3.7509 3.7509 4.0678 4.0678 4.1329 4.1329 5.3151 5.3151 6.4360 6.4360 6.5885 6.5885 8.1620 8.1620 8.1995 8.1995 8.2823 8.2823 9.3172 9.3172 9.4648 9.4648 13.0903 13.0903 14.6745 14.6745 k = 0.0517 0.0517 0.5800 ( 1834 PWs) bands (ev): -30.8164 -30.8164 -12.4892 -12.4892 -11.8857 -11.8857 -11.6763 -11.6763 -9.0458 -9.0458 -8.6386 -8.6386 3.7424 3.7424 4.0790 4.0790 4.1278 4.1278 5.3249 5.3249 6.4913 6.4913 6.6074 6.6074 8.1341 8.1341 8.1882 8.1882 8.2667 8.2667 9.3098 9.3098 9.4221 9.4221 13.0910 13.0910 14.6836 14.6836 k = 0.0431 0.0431 0.5800 ( 1830 PWs) bands (ev): -30.8165 -30.8165 -12.4920 -12.4920 -11.8853 -11.8853 -11.6755 -11.6755 -9.0464 -9.0464 -8.6364 -8.6364 3.7352 3.7352 4.0885 4.0885 4.1235 4.1235 5.3333 5.3333 6.5398 6.5398 6.6247 6.6247 8.1069 8.1069 8.1798 8.1798 8.2542 8.2542 9.3033 9.3033 9.3850 9.3850 13.0910 13.0910 14.6916 14.6916 k = 0.0345 0.0345 0.5800 ( 1830 PWs) bands (ev): -30.8166 -30.8166 -12.4943 -12.4943 -11.8849 -11.8849 -11.6748 -11.6748 -9.0469 -9.0469 -8.6346 -8.6346 3.7292 3.7292 4.0962 4.0962 4.1200 4.1200 5.3403 5.3403 6.5804 6.5804 6.6404 6.6404 8.0824 8.0824 8.1730 8.1730 8.2444 8.2444 9.2978 9.2978 9.3542 9.3542 13.0907 13.0907 14.6982 14.6982 k = 0.0259 0.0259 0.5800 ( 1830 PWs) bands (ev): -30.8167 -30.8167 -12.4961 -12.4961 -11.8847 -11.8847 -11.6743 -11.6743 -9.0473 -9.0473 -8.6331 -8.6331 3.7245 3.7245 4.1018 4.1018 4.1175 4.1175 5.3458 5.3458 6.6117 6.6117 6.6544 6.6544 8.0622 8.0622 8.1675 8.1675 8.2371 8.2371 9.2934 9.2934 9.3297 9.3297 13.0903 13.0903 14.7034 14.7034 k = 0.0172 0.0172 0.5800 ( 1830 PWs) bands (ev): -30.8167 -30.8167 -12.4973 -12.4973 -11.8845 -11.8845 -11.6739 -11.6739 -9.0476 -9.0476 -8.6321 -8.6321 3.7212 3.7212 4.1051 4.1051 4.1164 4.1164 5.3498 5.3498 6.6326 6.6326 6.6669 6.6669 8.0470 8.0470 8.1634 8.1634 8.2321 8.2321 9.2903 9.2903 9.3121 9.3121 13.0899 13.0899 14.7072 14.7072 k = 0.0086 0.0086 0.5800 ( 1838 PWs) bands (ev): -30.8167 -30.8167 -12.4981 -12.4981 -11.8844 -11.8844 -11.6737 -11.6737 -9.0477 -9.0477 -8.6315 -8.6315 3.7192 3.7192 4.1065 4.1065 4.1164 4.1164 5.3522 5.3522 6.6438 6.6438 6.6761 6.6761 8.0375 8.0375 8.1608 8.1608 8.2291 8.2291 9.2883 9.2883 9.3014 9.3014 13.0896 13.0896 14.7094 14.7094 k = 0.0000 0.0000 0.5800 ( 1846 PWs) bands (ev): -30.8168 -30.8168 -12.4984 -12.4984 -11.8844 -11.8844 -11.6737 -11.6737 -9.0478 -9.0478 -8.6313 -8.6313 3.7185 3.7185 4.1067 4.1067 4.1165 4.1165 5.3530 5.3530 6.6472 6.6472 6.6795 6.6795 8.0343 8.0343 8.1599 8.1599 8.2280 8.2280 9.2876 9.2876 9.2977 9.2977 13.0895 13.0895 14.7101 14.7101 k = 0.0000 0.5000-0.0000 ( 1856 PWs) bands (ev): -30.8461 -30.8461 -12.2857 -12.2857 -11.8559 -11.8559 -11.6349 -11.6349 -9.0218 -9.0218 -8.8544 -8.8544 2.9871 2.9871 4.8399 4.8399 5.1494 5.1494 5.2219 5.2219 5.5961 5.5961 5.8783 5.8783 7.6607 7.6607 8.5907 8.5907 9.3828 9.3828 9.7603 9.7603 10.2229 10.2229 12.6298 12.6298 14.0682 14.0687 k = 0.0000 0.5000 0.0123 ( 1856 PWs) bands (ev): -30.8461 -30.8461 -12.2855 -12.2855 -11.8559 -11.8559 -11.6355 -11.6355 -9.0213 -9.0213 -8.8547 -8.8547 2.9872 2.9872 4.8402 4.8402 5.1488 5.1488 5.2225 5.2225 5.5941 5.5941 5.8770 5.8770 7.6627 7.6627 8.5902 8.5902 9.3827 9.3827 9.7600 9.7600 10.2230 10.2230 12.6327 12.6327 14.0691 14.0712 k = 0.0000 0.5000 0.0247 ( 1864 PWs) bands (ev): -30.8460 -30.8460 -12.2849 -12.2849 -11.8560 -11.8560 -11.6371 -11.6371 -9.0196 -9.0196 -8.8557 -8.8557 2.9877 2.9877 4.8411 4.8411 5.1470 5.1470 5.2243 5.2243 5.5883 5.5883 5.8729 5.8729 7.6684 7.6684 8.5883 8.5883 9.3823 9.3823 9.7590 9.7590 10.2234 10.2234 12.6412 12.6412 14.0706 14.0720 k = 0.0000 0.5000 0.0370 ( 1864 PWs) bands (ev): -30.8458 -30.8458 -12.2838 -12.2838 -11.8560 -11.8560 -11.6396 -11.6396 -9.0169 -9.0169 -8.8574 -8.8574 2.9886 2.9886 4.8426 4.8426 5.1441 5.1441 5.2273 5.2273 5.5789 5.5789 5.8662 5.8662 7.6781 7.6781 8.5855 8.5855 9.3817 9.3817 9.7573 9.7573 10.2242 10.2242 12.6555 12.6555 14.0727 14.0728 k = 0.0000 0.5000 0.0494 ( 1870 PWs) bands (ev): -30.8455 -30.8455 -12.2824 -12.2824 -11.8561 -11.8561 -11.6430 -11.6430 -9.0132 -9.0132 -8.8597 -8.8597 2.9898 2.9898 4.8447 4.8447 5.1400 5.1400 5.2313 5.2313 5.5657 5.5657 5.8570 5.8570 7.6915 7.6915 8.5815 8.5815 9.3809 9.3809 9.7550 9.7550 10.2251 10.2251 12.6754 12.6754 14.0749 14.0749 k = 0.0000 0.5000 0.0617 ( 1870 PWs) bands (ev): -30.8452 -30.8452 -12.2806 -12.2806 -11.8562 -11.8562 -11.6474 -11.6474 -9.0084 -9.0084 -8.8627 -8.8627 2.9913 2.9913 4.8474 4.8474 5.1348 5.1348 5.2362 5.2362 5.5493 5.5493 5.8454 5.8454 7.7085 7.7085 8.5765 8.5765 9.3798 9.3798 9.7521 9.7521 10.2265 10.2265 12.7007 12.7007 14.0775 14.0775 k = 0.0000 0.5000 0.0740 ( 1864 PWs) bands (ev): -30.8448 -30.8448 -12.2783 -12.2783 -11.8564 -11.8564 -11.6526 -11.6526 -9.0027 -9.0027 -8.8663 -8.8663 2.9932 2.9932 4.8507 4.8507 5.1286 5.1286 5.2418 5.2418 5.5300 5.5300 5.8315 5.8315 7.7290 7.7290 8.5704 8.5704 9.3785 9.3785 9.7488 9.7488 10.2281 10.2281 12.7313 12.7313 14.0805 14.0805 k = 0.0000 0.5000 0.0864 ( 1864 PWs) bands (ev): -30.8443 -30.8443 -12.2757 -12.2757 -11.8567 -11.8567 -11.6585 -11.6585 -8.9960 -8.9960 -8.8705 -8.8705 2.9954 2.9954 4.8545 4.8545 5.1212 5.1212 5.2478 5.2478 5.5082 5.5082 5.8156 5.8156 7.7527 7.7527 8.5632 8.5632 9.3770 9.3770 9.7448 9.7448 10.2301 10.2301 12.7669 12.7669 14.0838 14.0839 k = 0.0000 0.5000 0.0987 ( 1864 PWs) bands (ev): -30.8437 -30.8437 -12.2728 -12.2728 -11.8571 -11.8571 -11.6651 -11.6651 -8.9884 -8.9884 -8.8753 -8.8753 2.9978 2.9978 4.8589 4.8589 5.1128 5.1128 5.2533 5.2533 5.4846 5.4846 5.7977 5.7977 7.7796 7.7796 8.5551 8.5551 9.3753 9.3753 9.7403 9.7403 10.2324 10.2324 12.8074 12.8074 14.0876 14.0876 k = 0.0000 0.5000 0.1111 ( 1864 PWs) bands (ev): -30.8431 -30.8431 -12.2696 -12.2696 -11.8578 -11.8578 -11.6722 -11.6722 -8.9799 -8.9799 -8.8807 -8.8807 3.0006 3.0006 4.8639 4.8639 5.1034 5.1034 5.2575 5.2575 5.4607 5.4607 5.7782 5.7782 7.8094 7.8094 8.5459 8.5459 9.3734 9.3734 9.7354 9.7354 10.2350 10.2350 12.8525 12.8525 14.0918 14.0918 k = 0.0000 0.5000 0.1234 ( 1866 PWs) bands (ev): -30.8424 -30.8424 -12.2661 -12.2661 -11.8586 -11.8586 -11.6797 -11.6797 -8.9707 -8.9707 -8.8867 -8.8867 3.0036 3.0036 4.8694 4.8694 5.0931 5.0931 5.2583 5.2583 5.4385 5.4385 5.7572 5.7572 7.8419 7.8419 8.5358 8.5358 9.3713 9.3713 9.7300 9.7300 10.2380 10.2380 12.9019 12.9019 14.0964 14.0964 k = 0.0000 0.5000 0.1357 ( 1862 PWs) bands (ev): -30.8416 -30.8416 -12.2624 -12.2624 -11.8598 -11.8598 -11.6875 -11.6875 -8.9607 -8.9607 -8.8932 -8.8932 3.0069 3.0069 4.8754 4.8754 5.0819 5.0819 5.2532 5.2532 5.4208 5.4208 5.7349 5.7349 7.8770 7.8770 8.5248 8.5248 9.3691 9.3691 9.7244 9.7244 10.2413 10.2413 12.9554 12.9554 14.1014 14.1014 k = 0.0000 0.5000 0.1481 ( 1854 PWs) bands (ev): -30.8408 -30.8408 -12.2585 -12.2585 -11.8613 -11.8613 -11.6953 -11.6953 -8.9502 -8.9502 -8.9000 -8.9000 3.0105 3.0105 4.8819 4.8819 5.0698 5.0698 5.2391 5.2391 5.4107 5.4107 5.7114 5.7114 7.9144 7.9144 8.5131 8.5131 9.3668 9.3668 9.7183 9.7183 10.2451 10.2451 13.0126 13.0126 14.1068 14.1068 k = 0.0000 0.5000 0.1604 ( 1850 PWs) bands (ev): -30.8399 -30.8399 -12.2545 -12.2545 -11.8633 -11.8633 -11.7030 -11.7030 -8.9394 -8.9394 -8.9071 -8.9071 3.0143 3.0143 4.8888 4.8888 5.0569 5.0569 5.2154 5.2154 5.4092 5.4092 5.6871 5.6871 7.9539 7.9539 8.5006 8.5006 9.3645 9.3645 9.7119 9.7119 10.2493 10.2493 13.0734 13.0734 14.1125 14.1125 k = 0.0000 0.5000 0.1728 ( 1854 PWs) bands (ev): -30.8390 -30.8390 -12.2504 -12.2504 -11.8658 -11.8658 -11.7105 -11.7105 -8.9298 -8.9298 -8.9129 -8.9129 3.0183 3.0183 4.8962 4.8962 5.0433 5.0433 5.1836 5.1836 5.4149 5.4149 5.6620 5.6620 7.9954 7.9954 8.4872 8.4872 9.3619 9.3619 9.7053 9.7053 10.2538 10.2538 13.1374 13.1374 14.1185 14.1185 k = 0.0000 0.5000 0.1851 ( 1858 PWs) bands (ev): -30.8380 -30.8380 -12.2464 -12.2464 -11.8689 -11.8689 -11.7175 -11.7175 -8.9289 -8.9289 -8.9099 -8.9099 3.0225 3.0225 4.9041 4.9041 5.0289 5.0289 5.1462 5.1462 5.4256 5.4256 5.6364 5.6364 8.0385 8.0385 8.4734 8.4734 9.3593 9.3593 9.6983 9.6983 10.2589 10.2589 13.2043 13.2043 14.1248 14.1248 k = 0.0000 0.5000 0.1974 ( 1854 PWs) bands (ev): -30.8370 -30.8370 -12.2425 -12.2425 -11.8725 -11.8725 -11.7239 -11.7239 -8.9360 -8.9360 -8.8988 -8.8988 3.0269 3.0269 4.9123 4.9123 5.0138 5.0138 5.1051 5.1051 5.4396 5.4396 5.6103 5.6103 8.0832 8.0832 8.4592 8.4592 9.3566 9.3566 9.6913 9.6913 10.2644 10.2644 13.2739 13.2739 14.1313 14.1313 k = 0.0000 0.5000 0.2098 ( 1850 PWs) bands (ev): -30.8360 -30.8360 -12.2387 -12.2387 -11.8768 -11.8768 -11.7295 -11.7295 -8.9449 -8.9449 -8.8861 -8.8861 3.0314 3.0314 4.9209 4.9209 4.9978 4.9978 5.0617 5.0617 5.4560 5.4560 5.5841 5.5841 8.1291 8.1291 8.4447 8.4447 9.3539 9.3539 9.6840 9.6840 10.2705 10.2705 13.3459 13.3459 14.1380 14.1380 k = 0.0000 0.5000 0.2221 ( 1850 PWs) bands (ev): -30.8349 -30.8349 -12.2352 -12.2352 -11.8816 -11.8816 -11.7343 -11.7343 -8.9545 -8.9545 -8.8727 -8.8727 3.0360 3.0360 4.9298 4.9298 4.9800 4.9800 5.0177 5.0177 5.4738 5.4738 5.5578 5.5578 8.1757 8.1757 8.4303 8.4303 9.3511 9.3511 9.6766 9.6766 10.2771 10.2771 13.4201 13.4201 14.1450 14.1450 k = 0.0000 0.5000 0.2345 ( 1850 PWs) bands (ev): -30.8338 -30.8338 -12.2321 -12.2321 -11.8870 -11.8870 -11.7383 -11.7383 -8.9645 -8.9645 -8.8590 -8.8590 3.0408 3.0408 4.9391 4.9391 4.9547 4.9547 4.9796 4.9796 5.4922 5.4922 5.5321 5.5321 8.2222 8.2222 8.4167 8.4167 9.3483 9.3483 9.6692 9.6692 10.2844 10.2844 13.4961 13.4961 14.1521 14.1521 k = 0.0000 0.5000 0.2468 ( 1852 PWs) bands (ev): -30.8327 -30.8327 -12.2294 -12.2294 -11.8927 -11.8927 -11.7413 -11.7413 -8.9748 -8.9748 -8.8450 -8.8450 3.0456 3.0456 4.9136 4.9136 4.9486 4.9486 4.9562 4.9562 5.5000 5.5000 5.5181 5.5181 8.2667 8.2667 8.4056 8.4056 9.3456 9.3456 9.6616 9.6616 10.2923 10.2923 13.5736 13.5736 14.1593 14.1593 k = 0.0000 0.5000 0.2591 ( 1850 PWs) bands (ev): -30.8315 -30.8315 -12.2273 -12.2273 -11.8985 -11.8985 -11.7435 -11.7435 -8.9854 -8.9854 -8.8310 -8.8310 3.0505 3.0505 4.8667 4.8667 4.9379 4.9379 4.9584 4.9584 5.4769 5.4769 5.5358 5.5358 8.3036 8.3036 8.4027 8.4027 9.3428 9.3428 9.6541 9.6541 10.3009 10.3009 13.6526 13.6526 14.1665 14.1666 k = 0.0000 0.5000 0.2715 ( 1854 PWs) bands (ev): -30.8303 -30.8303 -12.2259 -12.2259 -11.9043 -11.9043 -11.7450 -11.7450 -8.9962 -8.9962 -8.8168 -8.8168 3.0554 3.0554 4.8187 4.8187 4.9206 4.9206 4.9683 4.9683 5.4515 5.4515 5.5568 5.5568 8.3207 8.3207 8.4200 8.4200 9.3400 9.3400 9.6465 9.6465 10.3103 10.3103 13.7325 13.7325 14.1738 14.1738 k = 0.0000 0.5000 0.2838 ( 1854 PWs) bands (ev): -30.8292 -30.8292 -12.2252 -12.2252 -11.9098 -11.9098 -11.7457 -11.7457 -9.0072 -9.0072 -8.8027 -8.8027 3.0604 3.0604 4.7704 4.7704 4.9035 4.9035 4.9784 4.9784 5.4261 5.4261 5.5783 5.5783 8.3174 8.3174 8.4581 8.4581 9.3373 9.3373 9.6390 9.6390 10.3205 10.3205 13.8133 13.8133 14.1811 14.1811 k = 0.0000 0.5000 0.2962 ( 1854 PWs) bands (ev): -30.8280 -30.8280 -12.2253 -12.2253 -11.9149 -11.9149 -11.7458 -11.7458 -9.0183 -9.0183 -8.7887 -8.7887 3.0653 3.0653 4.7224 4.7224 4.8866 4.8866 4.9886 4.9886 5.4013 5.4013 5.6001 5.6001 8.3056 8.3056 8.5049 8.5049 9.3347 9.3347 9.6316 9.6316 10.3316 10.3316 13.8945 13.8945 14.1881 14.1881 k = 0.0000 0.5000 0.3085 ( 1858 PWs) bands (ev): -30.8268 -30.8268 -12.2264 -12.2264 -11.9195 -11.9195 -11.7454 -11.7454 -9.0294 -9.0294 -8.7748 -8.7748 3.0702 3.0702 4.6749 4.6749 4.8698 4.8698 4.9989 4.9989 5.3769 5.3769 5.6221 5.6221 8.2906 8.2906 8.5548 8.5548 9.3321 9.3321 9.6242 9.6242 10.3436 10.3436 13.9758 13.9758 14.1657 14.1657 k = 0.0000 0.5000 0.3208 ( 1864 PWs) bands (ev): -30.8257 -30.8257 -12.2284 -12.2284 -11.9233 -11.9233 -11.7446 -11.7446 -9.0406 -9.0406 -8.7610 -8.7610 3.0751 3.0751 4.6281 4.6281 4.8532 4.8532 5.0092 5.0092 5.3532 5.3532 5.6440 5.6440 8.2745 8.2745 8.6057 8.6057 9.3296 9.3296 9.6169 9.6169 10.3567 10.3567 14.0570 14.0570 14.1021 14.1021 k = 0.0000 0.5000 0.3332 ( 1856 PWs) bands (ev): -30.8245 -30.8245 -12.2311 -12.2311 -11.9263 -11.9263 -11.7433 -11.7433 -9.0517 -9.0517 -8.7475 -8.7475 3.0800 3.0800 4.5824 4.5824 4.8369 4.8369 5.0195 5.0195 5.3301 5.3301 5.6657 5.6657 8.2579 8.2579 8.6571 8.6571 9.3273 9.3273 9.6098 9.6098 10.3711 10.3711 14.0353 14.0353 14.1381 14.1381 k = 0.0000 0.5000 0.3455 ( 1856 PWs) bands (ev): -30.8234 -30.8234 -12.2348 -12.2348 -11.9286 -11.9286 -11.7418 -11.7418 -9.0628 -9.0628 -8.7344 -8.7344 3.0847 3.0847 4.5378 4.5378 4.8209 4.8209 5.0297 5.0297 5.3079 5.3079 5.6871 5.6871 8.2412 8.2412 8.7081 8.7081 9.3249 9.3249 9.6029 9.6029 10.3864 10.3864 13.9666 13.9666 14.2173 14.2177 k = 0.0000 0.5000 0.3579 ( 1852 PWs) bands (ev): -30.8223 -30.8223 -12.2393 -12.2393 -11.9300 -11.9300 -11.7400 -11.7400 -9.0737 -9.0737 -8.7215 -8.7215 3.0893 3.0893 4.4946 4.4946 4.8053 4.8053 5.0398 5.0398 5.2865 5.2865 5.7082 5.7082 8.2245 8.2245 8.7585 8.7585 9.3227 9.3227 9.5963 9.5963 10.4032 10.4032 13.8961 13.8961 14.2246 14.2247 k = 0.0000 0.5000 0.3702 ( 1856 PWs) bands (ev): -30.8212 -30.8212 -12.2444 -12.2444 -11.9307 -11.9307 -11.7380 -11.7380 -9.0844 -9.0844 -8.7091 -8.7091 3.0938 3.0938 4.4529 4.4529 4.7902 4.7902 5.0498 5.0498 5.2660 5.2660 5.7287 5.7287 8.2081 8.2081 8.8078 8.8078 9.3207 9.3207 9.5898 9.5898 10.4211 10.4211 13.8241 13.8241 14.2313 14.2313 k = 0.0000 0.5000 0.3825 ( 1852 PWs) bands (ev): -30.8201 -30.8201 -12.2501 -12.2501 -11.9307 -11.9307 -11.7358 -11.7358 -9.0949 -9.0949 -8.6971 -8.6971 3.0981 3.0981 4.4128 4.4128 4.7755 4.7755 5.0595 5.0595 5.2464 5.2464 5.7487 5.7487 8.1920 8.1920 8.8559 8.8559 9.3187 9.3187 9.5836 9.5836 10.4403 10.4403 13.7512 13.7512 14.2377 14.2377 k = 0.0000 0.5000 0.3949 ( 1868 PWs) bands (ev): -30.8191 -30.8191 -12.2563 -12.2563 -11.9302 -11.9302 -11.7335 -11.7335 -9.1050 -9.1050 -8.6857 -8.6857 3.1022 3.1022 4.3745 4.3745 4.7614 4.7614 5.0689 5.0689 5.2278 5.2278 5.7680 5.7680 8.1763 8.1763 8.9024 8.9024 9.3168 9.3168 9.5774 9.5774 10.4608 10.4608 13.6776 13.6776 14.2439 14.2439 k = 0.0000 0.5000 0.4072 ( 1864 PWs) bands (ev): -30.8181 -30.8181 -12.2627 -12.2627 -11.9291 -11.9291 -11.7311 -11.7311 -9.1148 -9.1148 -8.6747 -8.6747 3.1062 3.1062 4.3380 4.3380 4.7480 4.7480 5.0781 5.0781 5.2103 5.2103 5.7865 5.7865 8.1612 8.1612 8.9471 8.9471 9.3150 9.3150 9.5719 9.5719 10.4826 10.4826 13.6041 13.6041 14.2498 14.2498 k = 0.0000 0.5000 0.4195 ( 1860 PWs) bands (ev): -30.8172 -30.8172 -12.2692 -12.2692 -11.9277 -11.9277 -11.7287 -11.7287 -9.1242 -9.1242 -8.6643 -8.6643 3.1100 3.1100 4.3037 4.3037 4.7352 4.7352 5.0869 5.0869 5.1938 5.1938 5.8041 5.8041 8.1469 8.1469 8.9897 8.9897 9.3135 9.3135 9.5665 9.5665 10.5057 10.5057 13.5311 13.5311 14.2555 14.2555 k = 0.0000 0.5000 0.4319 ( 1860 PWs) bands (ev): -30.8163 -30.8163 -12.2757 -12.2757 -11.9260 -11.9260 -11.7262 -11.7262 -9.1332 -9.1332 -8.6546 -8.6546 3.1136 3.1136 4.2714 4.2714 4.7231 4.7231 5.0952 5.0952 5.1784 5.1784 5.8208 5.8208 8.1331 8.1331 9.0298 9.0298 9.3120 9.3120 9.5616 9.5616 10.5297 10.5297 13.4590 13.4590 14.2608 14.2608 k = 0.0000 0.5000 0.4442 ( 1860 PWs) bands (ev): -30.8155 -30.8155 -12.2822 -12.2822 -11.9241 -11.9241 -11.7238 -11.7238 -9.1416 -9.1416 -8.6455 -8.6455 3.1169 3.1169 4.2414 4.2414 4.7119 4.7119 5.1031 5.1031 5.1641 5.1641 5.8364 5.8364 8.1202 8.1202 9.0672 9.0672 9.3107 9.3107 9.5569 9.5569 10.5546 10.5546 13.3887 13.3887 14.2658 14.2658 k = 0.0000 0.5000 0.4566 ( 1856 PWs) bands (ev): -30.8147 -30.8147 -12.2884 -12.2884 -11.9221 -11.9221 -11.7215 -11.7215 -9.1495 -9.1495 -8.6371 -8.6371 3.1200 3.1200 4.2137 4.2137 4.7015 4.7015 5.1105 5.1105 5.1510 5.1510 5.8510 5.8510 8.1083 8.1083 9.1019 9.1019 9.3096 9.3096 9.5527 9.5527 10.5801 10.5801 13.3207 13.3207 14.2705 14.2705 k = 0.0000 0.5000 0.4689 ( 1860 PWs) bands (ev): -30.8141 -30.8141 -12.2943 -12.2943 -11.9201 -11.9201 -11.7193 -11.7193 -9.1568 -9.1568 -8.6293 -8.6293 3.1228 3.1228 4.1883 4.1883 4.6919 4.6919 5.1173 5.1173 5.1391 5.1391 5.8643 5.8643 8.0971 8.0971 9.1335 9.1335 9.3085 9.3085 9.5489 9.5489 10.6057 10.6057 13.2556 13.2556 14.2746 14.2746 k = 0.0000 0.5000 0.4812 ( 1860 PWs) bands (ev): -30.8134 -30.8134 -12.2998 -12.2998 -11.9181 -11.9181 -11.7172 -11.7172 -9.1634 -9.1634 -8.6224 -8.6224 3.1254 3.1254 4.1655 4.1655 4.6832 4.6832 5.1235 5.1235 5.1284 5.1284 5.8764 5.8764 8.0870 8.0870 9.1618 9.1618 9.3078 9.3078 9.5454 9.5454 10.6311 10.6311 13.1944 13.1944 14.2784 14.2784 k = 0.0000 0.5000 0.4936 ( 1860 PWs) bands (ev): -30.8128 -30.8128 -12.3048 -12.3048 -11.9163 -11.9163 -11.7153 -11.7153 -9.1693 -9.1693 -8.6162 -8.6162 3.1277 3.1277 4.1452 4.1452 4.6755 4.6755 5.1188 5.1188 5.1292 5.1292 5.8873 5.8873 8.0779 8.0779 9.1868 9.1868 9.3072 9.3072 9.5423 9.5423 10.6558 10.6558 13.1376 13.1376 14.2819 14.2819 k = 0.0000 0.5000 0.5059 ( 1874 PWs) bands (ev): -30.8124 -30.8124 -12.3094 -12.3094 -11.9146 -11.9146 -11.7136 -11.7136 -9.1746 -9.1746 -8.6107 -8.6107 3.1296 3.1296 4.1274 4.1274 4.6687 4.6687 5.1105 5.1105 5.1341 5.1341 5.8968 5.8968 8.0698 8.0698 9.2082 9.2082 9.3069 9.3069 9.5396 9.5396 10.6790 10.6790 13.0861 13.0861 14.2848 14.2848 k = 0.0000 0.5000 0.5183 ( 1874 PWs) bands (ev): -30.8119 -30.8119 -12.3133 -12.3133 -11.9131 -11.9131 -11.7121 -11.7121 -9.1791 -9.1791 -8.6061 -8.6061 3.1313 3.1313 4.1124 4.1124 4.6629 4.6629 5.1035 5.1035 5.1383 5.1383 5.9049 5.9049 8.0629 8.0629 9.2263 9.2263 9.3068 9.3068 9.5374 9.5374 10.7003 10.7003 13.0407 13.0407 14.2874 14.2874 k = 0.0000 0.5000 0.5306 ( 1868 PWs) bands (ev): -30.8116 -30.8116 -12.3166 -12.3166 -11.9118 -11.9118 -11.7108 -11.7108 -9.1828 -9.1828 -8.6023 -8.6023 3.1328 3.1328 4.1000 4.1000 4.6582 4.6582 5.0977 5.0977 5.1418 5.1418 5.9116 5.9116 8.0573 8.0573 9.2408 9.2408 9.3072 9.3072 9.5357 9.5357 10.7189 10.7189 13.0023 13.0023 14.2896 14.2896 k = 0.0000 0.5000 0.5429 ( 1860 PWs) bands (ev): -30.8113 -30.8113 -12.3191 -12.3191 -11.9108 -11.9108 -11.7097 -11.7097 -9.1857 -9.1857 -8.5993 -8.5993 3.1339 3.1339 4.0903 4.0903 4.6545 4.6545 5.0932 5.0932 5.1446 5.1446 5.9168 5.9168 8.0530 8.0530 9.2517 9.2517 9.3078 9.3078 9.5344 9.5344 10.7342 10.7342 12.9715 12.9715 14.2913 14.2913 k = 0.0000 0.5000 0.5553 ( 1860 PWs) bands (ev): -30.8111 -30.8111 -12.3209 -12.3209 -11.9100 -11.9100 -11.7090 -11.7090 -9.1878 -9.1878 -8.5972 -8.5972 3.1346 3.1346 4.0834 4.0834 4.6518 4.6518 5.0900 5.0900 5.1466 5.1466 5.9206 5.9206 8.0498 8.0498 9.2592 9.2592 9.3085 9.3085 9.5334 9.5334 10.7456 10.7456 12.9490 12.9490 14.2925 14.2925 k = 0.0000 0.5000 0.5676 ( 1864 PWs) bands (ev): -30.8110 -30.8110 -12.3221 -12.3221 -11.9096 -11.9096 -11.7085 -11.7085 -9.1891 -9.1891 -8.5959 -8.5959 3.1351 3.1351 4.0792 4.0792 4.6502 4.6502 5.0881 5.0881 5.1478 5.1478 5.9229 5.9229 8.0479 8.0479 9.2634 9.2634 9.3090 9.3090 9.5328 9.5328 10.7526 10.7526 12.9353 12.9353 14.2932 14.2932 k = 0.0000 0.5000 0.5800 ( 1864 PWs) bands (ev): -30.8109 -30.8109 -12.3224 -12.3224 -11.9095 -11.9095 -11.7084 -11.7084 -9.1895 -9.1895 -8.5955 -8.5955 3.1353 3.1353 4.0778 4.0778 4.6496 4.6496 5.0874 5.0874 5.1482 5.1482 5.9236 5.9236 8.0473 8.0473 9.2648 9.2648 9.3092 9.3092 9.5326 9.5326 10.7550 10.7550 12.9306 12.9306 14.2934 14.2934 k = 0.5000 0.5000-0.0000 ( 1904 PWs) bands (ev): -30.8392 -30.8392 -12.3232 -12.3232 -12.0572 -12.0572 -11.6544 -11.6544 -8.5998 -8.5998 -8.5767 -8.5767 2.1078 2.1078 2.9768 2.9768 3.6074 3.6074 5.2712 5.2712 5.2799 5.2799 7.2938 7.2938 7.5950 7.5950 9.4811 9.4811 9.6860 9.6860 9.7453 9.7453 12.8180 12.8180 14.1888 14.1888 14.2741 14.2741 k = 0.5000 0.5000 0.0123 ( 1904 PWs) bands (ev): -30.8391 -30.8391 -12.3229 -12.3229 -12.0569 -12.0569 -11.6548 -11.6548 -8.6000 -8.6000 -8.5771 -8.5771 2.1083 2.1083 2.9777 2.9777 3.6075 3.6075 5.2705 5.2705 5.2791 5.2791 7.2941 7.2941 7.5960 7.5960 9.4813 9.4813 9.6859 9.6859 9.7452 9.7452 12.8180 12.8180 14.1851 14.1851 14.2755 14.2755 k = 0.5000 0.5000 0.0247 ( 1896 PWs) bands (ev): -30.8390 -30.8390 -12.3223 -12.3223 -12.0560 -12.0560 -11.6559 -11.6559 -8.6009 -8.6009 -8.5780 -8.5780 2.1098 2.1098 2.9804 2.9804 3.6077 3.6077 5.2682 5.2682 5.2768 5.2768 7.2949 7.2949 7.5989 7.5989 9.4820 9.4820 9.6856 9.6856 9.7449 9.7449 12.8181 12.8181 14.1741 14.1741 14.2798 14.2798 k = 0.5000 0.5000 0.0370 ( 1880 PWs) bands (ev): -30.8388 -30.8388 -12.3211 -12.3211 -12.0545 -12.0545 -11.6577 -11.6577 -8.6024 -8.6024 -8.5796 -8.5796 2.1123 2.1123 2.9850 2.9850 3.6080 3.6080 5.2645 5.2645 5.2730 5.2730 7.2962 7.2962 7.6037 7.6037 9.4831 9.4831 9.6852 9.6852 9.7446 9.7446 12.8182 12.8182 14.1558 14.1558 14.2869 14.2869 k = 0.5000 0.5000 0.0494 ( 1880 PWs) bands (ev): -30.8386 -30.8386 -12.3197 -12.3197 -12.0526 -12.0526 -11.6604 -11.6604 -8.6045 -8.6045 -8.5819 -8.5819 2.1158 2.1158 2.9914 2.9914 3.6084 3.6084 5.2591 5.2591 5.2675 5.2675 7.2981 7.2981 7.6105 7.6105 9.4846 9.4846 9.6844 9.6844 9.7438 9.7438 12.8183 12.8183 14.1304 14.1304 14.2967 14.2967 k = 0.5000 0.5000 0.0617 ( 1880 PWs) bands (ev): -30.8382 -30.8382 -12.3178 -12.3178 -12.0500 -12.0500 -11.6637 -11.6637 -8.6071 -8.6071 -8.5848 -8.5848 2.1203 2.1203 2.9994 2.9994 3.6089 3.6089 5.2524 5.2524 5.2606 5.2606 7.3005 7.3005 7.6192 7.6192 9.4865 9.4865 9.6834 9.6834 9.7428 9.7428 12.8184 12.8184 14.0979 14.0979 14.3094 14.3094 k = 0.5000 0.5000 0.0740 ( 1880 PWs) bands (ev): -30.8378 -30.8378 -12.3156 -12.3156 -12.0469 -12.0469 -11.6678 -11.6678 -8.6103 -8.6103 -8.5883 -8.5883 2.1257 2.1257 3.0093 3.0093 3.6095 3.6095 5.2442 5.2442 5.2523 5.2523 7.3034 7.3034 7.6299 7.6299 9.4888 9.4888 9.6821 9.6821 9.7417 9.7417 12.8185 12.8185 14.0585 14.0585 14.3249 14.3249 k = 0.5000 0.5000 0.0864 ( 1880 PWs) bands (ev): -30.8373 -30.8373 -12.3130 -12.3130 -12.0433 -12.0433 -11.6726 -11.6726 -8.6141 -8.6141 -8.5925 -8.5925 2.1320 2.1320 3.0207 3.0207 3.6102 3.6102 5.2346 5.2346 5.2425 5.2425 7.3068 7.3068 7.6425 7.6425 9.4915 9.4915 9.6807 9.6807 9.7403 9.7403 12.8186 12.8186 14.0124 14.0124 14.3430 14.3430 k = 0.5000 0.5000 0.0987 ( 1880 PWs) bands (ev): -30.8368 -30.8368 -12.3100 -12.3100 -12.0392 -12.0392 -11.6780 -11.6780 -8.6184 -8.6184 -8.5972 -8.5972 2.1392 2.1392 3.0339 3.0339 3.6109 3.6109 5.2238 5.2238 5.2314 5.2314 7.3107 7.3107 7.6571 7.6571 9.4946 9.4946 9.6790 9.6790 9.7387 9.7387 12.8188 12.8188 13.9599 13.9599 14.3639 14.3639 k = 0.5000 0.5000 0.1111 ( 1864 PWs) bands (ev): -30.8362 -30.8362 -12.3066 -12.3066 -12.0345 -12.0345 -11.6839 -11.6839 -8.6232 -8.6232 -8.6025 -8.6025 2.1474 2.1474 3.0486 3.0486 3.6119 3.6119 5.2117 5.2117 5.2191 5.2191 7.3151 7.3151 7.6738 7.6738 9.4980 9.4980 9.6772 9.6772 9.7371 9.7371 12.8192 12.8192 13.9011 13.9011 14.3876 14.3876 k = 0.5000 0.5000 0.1234 ( 1864 PWs) bands (ev): -30.8355 -30.8355 -12.3030 -12.3030 -12.0293 -12.0293 -11.6905 -11.6905 -8.6286 -8.6286 -8.6084 -8.6084 2.1563 2.1563 3.0647 3.0647 3.6129 3.6129 5.1985 5.1985 5.2056 5.2056 7.3199 7.3199 7.6923 7.6923 9.5018 9.5018 9.6752 9.6752 9.7352 9.7352 12.8194 12.8194 13.8364 13.8364 14.4138 14.4138 k = 0.5000 0.5000 0.1357 ( 1868 PWs) bands (ev): -30.8348 -30.8348 -12.2990 -12.2990 -12.0237 -12.0237 -11.6977 -11.6977 -8.6344 -8.6344 -8.6148 -8.6148 2.1661 2.1661 3.0823 3.0823 3.6139 3.6139 5.1841 5.1841 5.1909 5.1909 7.3252 7.3252 7.7127 7.7127 9.5059 9.5059 9.6730 9.6730 9.7331 9.7331 12.8196 12.8196 13.7660 13.7660 14.4425 14.4425 k = 0.5000 0.5000 0.1481 ( 1868 PWs) bands (ev): -30.8340 -30.8340 -12.2948 -12.2948 -12.0176 -12.0176 -11.7053 -11.7053 -8.6408 -8.6408 -8.6217 -8.6217 2.1767 2.1767 3.1013 3.1013 3.6151 3.6151 5.1687 5.1687 5.1752 5.1752 7.3308 7.3308 7.7352 7.7352 9.5103 9.5103 9.6706 9.6706 9.7309 9.7309 12.8198 12.8198 13.6902 13.6902 14.4737 14.4737 k = 0.5000 0.5000 0.1604 ( 1884 PWs) bands (ev): -30.8332 -30.8332 -12.2905 -12.2905 -12.0112 -12.0112 -11.7134 -11.7134 -8.6475 -8.6475 -8.6292 -8.6292 2.1879 2.1879 3.1215 3.1215 3.6163 3.6163 5.1524 5.1524 5.1585 5.1585 7.3369 7.3369 7.7596 7.7596 9.5149 9.5149 9.6679 9.6679 9.7285 9.7285 12.8201 12.8201 13.6094 13.6094 14.5074 14.5074 k = 0.5000 0.5000 0.1728 ( 1884 PWs) bands (ev): -30.8323 -30.8323 -12.2858 -12.2858 -12.0043 -12.0043 -11.7217 -11.7217 -8.6547 -8.6547 -8.6371 -8.6371 2.1999 2.1999 3.1428 3.1428 3.6176 3.6176 5.1352 5.1352 5.1410 5.1410 7.3433 7.3433 7.7861 7.7861 9.5198 9.5198 9.6652 9.6652 9.7261 9.7261 12.8203 12.8203 13.5240 13.5240 14.5434 14.5434 k = 0.5000 0.5000 0.1851 ( 1892 PWs) bands (ev): -30.8313 -30.8313 -12.2811 -12.2811 -11.9970 -11.9970 -11.7305 -11.7305 -8.6623 -8.6623 -8.6454 -8.6454 2.2125 2.2125 3.1653 3.1653 3.6188 3.6188 5.1174 5.1174 5.1227 5.1227 7.3501 7.3501 7.8146 7.8146 9.5249 9.5249 9.6624 9.6624 9.7235 9.7235 12.8206 12.8206 13.4342 13.4342 14.5817 14.5817 k = 0.5000 0.5000 0.1974 ( 1900 PWs) bands (ev): -30.8304 -30.8304 -12.2762 -12.2762 -11.9893 -11.9893 -11.7395 -11.7395 -8.6703 -8.6703 -8.6542 -8.6542 2.2257 2.2257 3.1887 3.1887 3.6202 3.6202 5.0988 5.0988 5.1038 5.1038 7.3572 7.3572 7.8450 7.8450 9.5302 9.5302 9.6594 9.6594 9.7209 9.7209 12.8209 12.8209 13.3404 13.3404 14.6220 14.6220 k = 0.5000 0.5000 0.2098 ( 1884 PWs) bands (ev): -30.8293 -30.8293 -12.2711 -12.2711 -11.9812 -11.9812 -11.7485 -11.7485 -8.6785 -8.6785 -8.6633 -8.6633 2.2395 2.2395 3.2130 3.2130 3.6218 3.6218 5.0798 5.0798 5.0844 5.0844 7.3647 7.3647 7.8776 7.8776 9.5360 9.5360 9.6565 9.6565 9.7183 9.7183 12.8214 12.8214 13.2430 13.2430 14.6646 14.6646 k = 0.5000 0.5000 0.2221 ( 1884 PWs) bands (ev): -30.8283 -30.8283 -12.2660 -12.2660 -11.9729 -11.9729 -11.7577 -11.7577 -8.6871 -8.6871 -8.6728 -8.6728 2.2537 2.2537 3.2380 3.2380 3.6233 3.6233 5.0603 5.0603 5.0645 5.0645 7.3723 7.3723 7.9122 7.9122 9.5416 9.5416 9.6535 9.6535 9.7157 9.7157 12.8217 12.8217 13.1421 13.1421 14.7089 14.7089 k = 0.5000 0.5000 0.2345 ( 1884 PWs) bands (ev): -30.8272 -30.8272 -12.2610 -12.2610 -11.9643 -11.9643 -11.7669 -11.7669 -8.6960 -8.6960 -8.6826 -8.6826 2.2683 2.2683 3.2637 3.2637 3.6248 3.6248 5.0405 5.0405 5.0443 5.0443 7.3802 7.3802 7.9488 7.9488 9.5473 9.5473 9.6504 9.6504 9.7131 9.7131 12.8221 12.8221 13.0383 13.0383 14.7549 14.7549 k = 0.5000 0.5000 0.2468 ( 1860 PWs) bands (ev): -30.8261 -30.8261 -12.2559 -12.2559 -11.9554 -11.9554 -11.7759 -11.7759 -8.7051 -8.7051 -8.6926 -8.6926 2.2832 2.2832 3.2899 3.2899 3.6264 3.6264 5.0205 5.0205 5.0238 5.0238 7.3884 7.3884 7.9877 7.9877 9.5532 9.5532 9.6474 9.6474 9.7108 9.7108 12.8225 12.8225 12.9319 12.9319 14.8027 14.8028 k = 0.5000 0.5000 0.2591 ( 1868 PWs) bands (ev): -30.8250 -30.8250 -12.2510 -12.2510 -11.9464 -11.9464 -11.7851 -11.7851 -8.7144 -8.7144 -8.7029 -8.7029 2.2985 2.2985 3.3166 3.3166 3.6280 3.6280 5.0003 5.0003 5.0031 5.0031 7.3966 7.3966 8.0283 8.0283 9.5589 9.5589 9.6442 9.6442 9.7083 9.7083 12.8228 12.8228 12.8230 12.8230 14.8515 14.8843 k = 0.5000 0.5000 0.2715 ( 1868 PWs) bands (ev): -30.8239 -30.8239 -12.2462 -12.2462 -11.9372 -11.9372 -11.7939 -11.7939 -8.7239 -8.7239 -8.7134 -8.7134 2.3139 2.3139 3.3435 3.3435 3.6297 3.6297 4.9800 4.9800 4.9824 4.9824 7.4050 7.4050 8.0711 8.0711 9.5647 9.5647 9.6410 9.6410 9.7058 9.7058 12.7120 12.7120 12.8232 12.8232 14.8898 14.8945 k = 0.5000 0.5000 0.2838 ( 1868 PWs) bands (ev): -30.8227 -30.8227 -12.2417 -12.2417 -11.9279 -11.9279 -11.8026 -11.8026 -8.7334 -8.7334 -8.7240 -8.7240 2.3296 2.3296 3.3705 3.3705 3.6313 3.6313 4.9597 4.9597 4.9617 4.9617 7.4135 7.4135 8.1161 8.1161 9.5703 9.5703 9.6379 9.6379 9.7035 9.7035 12.5992 12.5992 12.8235 12.8235 14.8496 14.8523 k = 0.5000 0.5000 0.2962 ( 1868 PWs) bands (ev): -30.8216 -30.8216 -12.2374 -12.2374 -11.9185 -11.9185 -11.8109 -11.8109 -8.7431 -8.7431 -8.7347 -8.7347 2.3453 2.3453 3.3977 3.3977 3.6330 3.6330 4.9396 4.9396 4.9412 4.9412 7.4220 7.4220 8.1631 8.1631 9.5758 9.5758 9.6347 9.6347 9.7014 9.7014 12.4850 12.4850 12.8239 12.8239 14.8098 14.8107 k = 0.5000 0.5000 0.3085 ( 1868 PWs) bands (ev): -30.8205 -30.8205 -12.2334 -12.2334 -11.9091 -11.9091 -11.8187 -11.8187 -8.7528 -8.7528 -8.7454 -8.7454 2.3610 2.3610 3.4247 3.4247 3.6346 3.6346 4.9197 4.9197 4.9209 4.9209 7.4305 7.4305 8.2123 8.2123 9.5811 9.5811 9.6315 9.6315 9.6994 9.6994 12.3695 12.3695 12.8243 12.8243 14.7674 14.7692 k = 0.5000 0.5000 0.3208 ( 1868 PWs) bands (ev): -30.8193 -30.8193 -12.2298 -12.2298 -11.8996 -11.8996 -11.8262 -11.8262 -8.7624 -8.7624 -8.7562 -8.7562 2.3767 2.3767 3.4516 3.4516 3.6363 3.6363 4.9001 4.9001 4.9008 4.9008 7.4390 7.4390 8.2636 8.2636 9.5863 9.5863 9.6284 9.6284 9.6977 9.6977 12.2531 12.2531 12.8246 12.8246 14.7334 14.7344 k = 0.5000 0.5000 0.3332 ( 1868 PWs) bands (ev): -30.8182 -30.8182 -12.2265 -12.2265 -11.8902 -11.8902 -11.8331 -11.8331 -8.7721 -8.7721 -8.7669 -8.7669 2.3922 2.3922 3.4781 3.4781 3.6379 3.6379 4.8808 4.8808 4.8812 4.8812 7.4475 7.4475 8.3170 8.3170 9.5911 9.5911 9.6254 9.6254 9.6962 9.6962 12.1359 12.1359 12.8250 12.8250 14.6925 14.6934 k = 0.5000 0.5000 0.3455 ( 1884 PWs) bands (ev): -30.8172 -30.8172 -12.2238 -12.2238 -11.8809 -11.8809 -11.8396 -11.8396 -8.7816 -8.7816 -8.7775 -8.7775 2.4076 2.4076 3.5042 3.5042 3.6395 3.6395 4.8620 4.8620 4.8620 4.8620 7.4558 7.4558 8.3724 8.3724 9.5955 9.5955 9.6223 9.6223 9.6948 9.6948 12.0182 12.0182 12.8253 12.8253 14.6527 14.6568 k = 0.5000 0.5000 0.3579 ( 1880 PWs) bands (ev): -30.8161 -30.8161 -12.2214 -12.2214 -11.8718 -11.8718 -11.8453 -11.8453 -8.7910 -8.7910 -8.7879 -8.7879 2.4227 2.4227 3.5297 3.5297 3.6411 3.6411 4.8433 4.8433 4.8438 4.8438 7.4640 7.4640 8.4301 8.4301 9.5996 9.5996 9.6195 9.6195 9.6941 9.6941 11.9003 11.9003 12.8256 12.8256 14.6180 14.6187 k = 0.5000 0.5000 0.3702 ( 1880 PWs) bands (ev): -30.8150 -30.8150 -12.2194 -12.2194 -11.8627 -11.8627 -11.8505 -11.8505 -8.8002 -8.8002 -8.7982 -8.7982 2.4374 2.4374 3.5546 3.5546 3.6427 3.6427 4.8253 4.8253 4.8261 4.8261 7.4721 7.4721 8.4899 8.4899 9.6033 9.6033 9.6167 9.6167 9.6936 9.6936 11.7823 11.7823 12.8260 12.8260 14.5868 14.5883 k = 0.5000 0.5000 0.3825 ( 1880 PWs) bands (ev): -30.8140 -30.8140 -12.2179 -12.2179 -11.8551 -11.8551 -11.8539 -11.8539 -8.8092 -8.8092 -8.8082 -8.8082 2.4518 2.4518 3.5786 3.5786 3.6442 3.6442 4.8079 4.8079 4.8091 4.8091 7.4799 7.4799 8.5518 8.5518 9.6065 9.6065 9.6141 9.6141 9.6935 9.6935 11.6645 11.6645 12.8263 12.8263 14.5518 14.5556 k = 0.5000 0.5000 0.3949 ( 1884 PWs) bands (ev): -30.8130 -30.8130 -12.2169 -12.2169 -11.8590 -11.8590 -11.8453 -11.8453 -8.8179 -8.8179 -8.8179 -8.8179 2.4656 2.4656 3.6017 3.6017 3.6459 3.6459 4.7913 4.7913 4.7928 4.7928 7.4875 7.4875 8.6157 8.6157 9.6093 9.6093 9.6116 9.6116 9.6938 9.6938 11.5470 11.5470 12.8266 12.8266 14.5185 14.5238 k = 0.5000 0.5000 0.4072 ( 1884 PWs) bands (ev): -30.8121 -30.8121 -12.2163 -12.2163 -11.8624 -11.8624 -11.8371 -11.8371 -8.8272 -8.8272 -8.8262 -8.8262 2.4789 2.4789 3.6235 3.6235 3.6478 3.6478 4.7754 4.7754 4.7773 4.7773 7.4947 7.4947 8.6818 8.6818 9.6092 9.6092 9.6116 9.6116 9.6944 9.6944 11.4301 11.4301 12.8269 12.8269 14.4892 14.4907 k = 0.5000 0.5000 0.4195 ( 1884 PWs) bands (ev): -30.8112 -30.8112 -12.2160 -12.2160 -11.8651 -11.8651 -11.8292 -11.8292 -8.8362 -8.8362 -8.8342 -8.8342 2.4916 2.4916 3.6416 3.6416 3.6522 3.6522 4.7605 4.7605 4.7627 4.7627 7.5017 7.5017 8.7498 8.7498 9.6071 9.6071 9.6134 9.6134 9.6954 9.6954 11.3139 11.3139 12.8272 12.8272 14.4615 14.4622 k = 0.5000 0.5000 0.4319 ( 1884 PWs) bands (ev): -30.8104 -30.8104 -12.2161 -12.2161 -11.8674 -11.8674 -11.8217 -11.8217 -8.8447 -8.8447 -8.8419 -8.8419 2.5037 2.5037 3.6477 3.6477 3.6675 3.6675 4.7464 4.7464 4.7489 4.7489 7.5083 7.5083 8.8199 8.8199 9.6051 9.6051 9.6148 9.6148 9.6967 9.6967 11.1986 11.1986 12.8275 12.8275 14.4351 14.4382 k = 0.5000 0.5000 0.4442 ( 1884 PWs) bands (ev): -30.8096 -30.8096 -12.2165 -12.2165 -11.8691 -11.8691 -11.8146 -11.8146 -8.8528 -8.8528 -8.8490 -8.8490 2.5150 2.5150 3.6495 3.6495 3.6856 3.6856 4.7333 4.7333 4.7361 4.7361 7.5145 7.5145 8.8919 8.8919 9.6034 9.6034 9.6158 9.6158 9.6982 9.6982 11.0845 11.0845 12.8277 12.8277 14.4111 14.4141 k = 0.5000 0.5000 0.4566 ( 1884 PWs) bands (ev): -30.8088 -30.8088 -12.2171 -12.2171 -11.8704 -11.8704 -11.8079 -11.8079 -8.8603 -8.8603 -8.8557 -8.8557 2.5255 2.5255 3.6508 3.6508 3.7028 3.7028 4.7212 4.7212 4.7242 4.7242 7.5203 7.5203 8.9656 8.9656 9.6019 9.6019 9.6166 9.6166 9.6998 9.6998 10.9717 10.9717 12.8280 12.8280 14.3892 14.3932 k = 0.5000 0.5000 0.4689 ( 1884 PWs) bands (ev): -30.8081 -30.8081 -12.2179 -12.2179 -11.8714 -11.8714 -11.8018 -11.8018 -8.8672 -8.8672 -8.8619 -8.8619 2.5352 2.5352 3.6519 3.6519 3.7187 3.7187 4.7101 4.7101 4.7134 4.7134 7.5256 7.5256 9.0410 9.0410 9.6007 9.6007 9.6170 9.6170 9.7015 9.7015 10.8604 10.8604 12.8282 12.8282 14.3703 14.3735 k = 0.5000 0.5000 0.4812 ( 1884 PWs) bands (ev): -30.8075 -30.8075 -12.2188 -12.2188 -11.8720 -11.8720 -11.7963 -11.7963 -8.8735 -8.8735 -8.8675 -8.8675 2.5440 2.5440 3.6529 3.6529 3.7332 3.7332 4.7001 4.7001 4.7036 4.7036 7.5304 7.5304 9.1177 9.1177 9.6000 9.6000 9.6173 9.6173 9.7032 9.7032 10.7509 10.7509 12.8284 12.8284 14.3507 14.3551 k = 0.5000 0.5000 0.4936 ( 1884 PWs) bands (ev): -30.8070 -30.8070 -12.2198 -12.2198 -11.8725 -11.8725 -11.7912 -11.7912 -8.8791 -8.8791 -8.8725 -8.8725 2.5519 2.5519 3.6538 3.6538 3.7462 3.7462 4.6912 4.6912 4.6949 4.6949 7.5348 7.5348 9.1953 9.1953 9.5999 9.5999 9.6174 9.6174 9.7048 9.7048 10.6436 10.6436 12.8287 12.8287 14.3340 14.3353 k = 0.5000 0.5000 0.5059 ( 1876 PWs) bands (ev): -30.8065 -30.8065 -12.2207 -12.2207 -11.8727 -11.8727 -11.7868 -11.7868 -8.8841 -8.8841 -8.8769 -8.8769 2.5588 2.5588 3.6546 3.6546 3.7576 3.7576 4.6834 4.6834 4.6873 4.6873 7.5386 7.5386 9.2732 9.2732 9.6008 9.6008 9.6175 9.6175 9.7065 9.7065 10.5389 10.5389 12.8289 12.8289 14.3201 14.3243 k = 0.5000 0.5000 0.5183 ( 1872 PWs) bands (ev): -30.8061 -30.8061 -12.2216 -12.2216 -11.8727 -11.8727 -11.7830 -11.7830 -8.8884 -8.8884 -8.8807 -8.8807 2.5648 2.5648 3.6552 3.6552 3.7673 3.7673 4.6769 4.6769 4.6809 4.6809 7.5418 7.5418 9.3500 9.3500 9.6034 9.6034 9.6175 9.6175 9.7079 9.7079 10.4375 10.4375 12.8290 12.8290 14.3083 14.3099 k = 0.5000 0.5000 0.5306 ( 1880 PWs) bands (ev): -30.8057 -30.8057 -12.2224 -12.2224 -11.8728 -11.8728 -11.7799 -11.7799 -8.8919 -8.8919 -8.8838 -8.8838 2.5696 2.5696 3.6557 3.6557 3.7753 3.7753 4.6714 4.6714 4.6755 4.6755 7.5445 7.5445 9.4227 9.4227 9.6093 9.6093 9.6173 9.6173 9.7090 9.7090 10.3406 10.3406 12.8291 12.8291 14.2986 14.3023 k = 0.5000 0.5000 0.5429 ( 1880 PWs) bands (ev): -30.8055 -30.8055 -12.2231 -12.2231 -11.8728 -11.8728 -11.7775 -11.7775 -8.8946 -8.8946 -8.8863 -8.8863 2.5735 2.5735 3.6561 3.6561 3.7815 3.7815 4.6671 4.6671 4.6714 4.6714 7.5466 7.5466 9.4848 9.4848 9.6172 9.6172 9.6232 9.6232 9.7099 9.7099 10.2504 10.2504 12.8292 12.8292 14.2912 14.2930 k = 0.5000 0.5000 0.5553 ( 1880 PWs) bands (ev): -30.8053 -30.8053 -12.2236 -12.2236 -11.8727 -11.8727 -11.7757 -11.7757 -8.8966 -8.8966 -8.8881 -8.8881 2.5762 2.5762 3.6563 3.6563 3.7860 3.7860 4.6641 4.6641 4.6684 4.6684 7.5481 7.5481 9.5259 9.5259 9.6172 9.6172 9.6512 9.6512 9.7106 9.7106 10.1712 10.1712 12.8292 12.8292 14.2850 14.2888 k = 0.5000 0.5000 0.5676 ( 1880 PWs) bands (ev): -30.8052 -30.8052 -12.2239 -12.2239 -11.8727 -11.8727 -11.7747 -11.7747 -8.8978 -8.8978 -8.8891 -8.8891 2.5778 2.5778 3.6565 3.6565 3.7887 3.7887 4.6623 4.6623 4.6666 4.6666 7.5490 7.5490 9.5443 9.5443 9.6171 9.6171 9.6856 9.6856 9.7111 9.7111 10.1123 10.1123 12.8293 12.8293 14.2817 14.2837 k = 0.5000 0.5000 0.5800 ( 1880 PWs) bands (ev): -30.8051 -30.8051 -12.2240 -12.2240 -11.8727 -11.8727 -11.7743 -11.7743 -8.8982 -8.8982 -8.8895 -8.8895 2.5784 2.5784 3.6566 3.6566 3.7896 3.7896 4.6617 4.6617 4.6660 4.6660 7.5493 7.5493 9.5490 9.5490 9.6171 9.6171 9.7018 9.7018 9.7112 9.7112 10.0893 10.0893 12.8293 12.8293 14.2811 14.2822 Writing output data file CaFeO2.save init_run : 0.19s CPU 0.40s WALL ( 1 calls) electrons : 198.11s CPU 202.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 198.10s CPU 202.98s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 430 calls) cegterg : 188.31s CPU 191.76s WALL ( 1452 calls) Called by sum_band: Called by *egterg: h_psi : 64.64s CPU 66.46s WALL ( 27293 calls) s_psi : 5.53s CPU 5.70s WALL ( 27293 calls) g_psi : 0.20s CPU 0.20s WALL ( 25411 calls) cdiaghg : 109.52s CPU 111.14s WALL ( 25841 calls) cegterg:over : 5.07s CPU 5.05s WALL ( 25411 calls) cegterg:upda : 3.50s CPU 3.72s WALL ( 25411 calls) cegterg:last : 1.70s CPU 1.72s WALL ( 2760 calls) cdiaghg:chol : 5.55s CPU 5.44s WALL ( 25841 calls) cdiaghg:inve : 3.06s CPU 2.93s WALL ( 25841 calls) cdiaghg:para : 6.18s CPU 6.33s WALL ( 51682 calls) Called by h_psi: h_psi:vloc : 55.24s CPU 56.82s WALL ( 27293 calls) h_psi:vnl : 9.27s CPU 9.51s WALL ( 27293 calls) add_vuspsi : 5.02s CPU 5.01s WALL ( 27293 calls) General routines calbec : 4.18s CPU 4.43s WALL ( 27293 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.99s CPU 52.58s WALL ( 1275276 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.27s WALL ( 860 calls) Parallel routines fft_scatter : 26.05s CPU 26.84s WALL ( 1275299 calls) PWSCF : 3m29.63s CPU 4m 8.28s WALL This run was terminated on: 16:43:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=