Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:59:21 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: ./CaHBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 32 23 6 1688 1045 162 Max 33 24 7 1697 1070 175 Sum 1153 853 249 60815 38047 6109 bravais-lattice index = 14 lattice parameter (alat) = 7.2906 a.u. unit-cell volume = 794.6069 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.290563 celldm(2)= 1.000000 celldm(3)= 2.050544 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 2.050544 ) 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 0.487675 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0028653 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0028653 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0028653 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0028653 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0028653 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0028653 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0028653 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0028653 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0028653 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0028653 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0028653 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0028653 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0028653 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0028653 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0028653 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0028653 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0028653 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0028653 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0028653 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0028653 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0028653 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0028653 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0028653 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0028653 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0028653 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0028653 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0028653 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028653 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0028653 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0028653 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0028653 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0028653 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0028653 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0028653 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0028653 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0028653 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0028653 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0028653 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028653 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028653 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028653 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028653 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0028653 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028653 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028653 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0028653 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0028653 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0028653 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028653 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028653 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028653 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028653 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028653 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028653 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0028653 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0028653 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0028653 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028653 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0028653 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0028653 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0028653 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0028653 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0028653 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028653 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0028653 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0028653 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0028653 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028653 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0028653 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0028653 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0028653 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0028653 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028653 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0028653 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028653 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0028653 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0028653 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0028653 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0028653 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0028653 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0028653 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0028653 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.0121919), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0243838), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0365757), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.0487675), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.0609594), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.0731513), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.0853432), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.0975351), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.1097270), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.1219188), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.1341107), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.1463026), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.1584945), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.1706864), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.1828783), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.1950702), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.2072620), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.2194539), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.2316458), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.2438377), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.2438377), wk = 0.0028653 k( 166) = ( 0.0000000 0.0121951 0.2438377), wk = 0.0028653 k( 167) = ( 0.0000000 0.0243902 0.2438377), wk = 0.0028653 k( 168) = ( 0.0000000 0.0365854 0.2438377), wk = 0.0028653 k( 169) = ( 0.0000000 0.0487805 0.2438377), wk = 0.0028653 k( 170) = ( 0.0000000 0.0609756 0.2438377), wk = 0.0028653 k( 171) = ( 0.0000000 0.0731707 0.2438377), wk = 0.0028653 k( 172) = ( 0.0000000 0.0853658 0.2438377), wk = 0.0028653 k( 173) = ( 0.0000000 0.0975610 0.2438377), wk = 0.0028653 k( 174) = ( 0.0000000 0.1097561 0.2438377), wk = 0.0028653 k( 175) = ( 0.0000000 0.1219512 0.2438377), wk = 0.0028653 k( 176) = ( 0.0000000 0.1341463 0.2438377), wk = 0.0028653 k( 177) = ( 0.0000000 0.1463415 0.2438377), wk = 0.0028653 k( 178) = ( 0.0000000 0.1585366 0.2438377), wk = 0.0028653 k( 179) = ( 0.0000000 0.1707317 0.2438377), wk = 0.0028653 k( 180) = ( 0.0000000 0.1829268 0.2438377), wk = 0.0028653 k( 181) = ( 0.0000000 0.1951219 0.2438377), wk = 0.0028653 k( 182) = ( 0.0000000 0.2073171 0.2438377), wk = 0.0028653 k( 183) = ( 0.0000000 0.2195122 0.2438377), wk = 0.0028653 k( 184) = ( 0.0000000 0.2317073 0.2438377), wk = 0.0028653 k( 185) = ( 0.0000000 0.2439024 0.2438377), wk = 0.0028653 k( 186) = ( 0.0000000 0.2560976 0.2438377), wk = 0.0028653 k( 187) = ( 0.0000000 0.2682927 0.2438377), wk = 0.0028653 k( 188) = ( 0.0000000 0.2804878 0.2438377), wk = 0.0028653 k( 189) = ( 0.0000000 0.2926829 0.2438377), wk = 0.0028653 k( 190) = ( 0.0000000 0.3048781 0.2438377), wk = 0.0028653 k( 191) = ( 0.0000000 0.3170732 0.2438377), wk = 0.0028653 k( 192) = ( 0.0000000 0.3292683 0.2438377), wk = 0.0028653 k( 193) = ( 0.0000000 0.3414634 0.2438377), wk = 0.0028653 k( 194) = ( 0.0000000 0.3536585 0.2438377), wk = 0.0028653 k( 195) = ( 0.0000000 0.3658537 0.2438377), wk = 0.0028653 k( 196) = ( 0.0000000 0.3780488 0.2438377), wk = 0.0028653 k( 197) = ( 0.0000000 0.3902439 0.2438377), wk = 0.0028653 k( 198) = ( 0.0000000 0.4024390 0.2438377), wk = 0.0028653 k( 199) = ( 0.0000000 0.4146341 0.2438377), wk = 0.0028653 k( 200) = ( 0.0000000 0.4268293 0.2438377), wk = 0.0028653 k( 201) = ( 0.0000000 0.4390244 0.2438377), wk = 0.0028653 k( 202) = ( 0.0000000 0.4512195 0.2438377), wk = 0.0028653 k( 203) = ( 0.0000000 0.4634146 0.2438377), wk = 0.0028653 k( 204) = ( 0.0000000 0.4756098 0.2438377), wk = 0.0028653 k( 205) = ( 0.0000000 0.4878049 0.2438377), wk = 0.0028653 k( 206) = ( 0.0000000 0.5000000 0.2438377), wk = 0.0028653 k( 207) = ( 0.0000000 0.5000000 0.2438377), wk = 0.0028653 k( 208) = ( 0.0121951 0.5000000 0.2438377), wk = 0.0028653 k( 209) = ( 0.0243902 0.5000000 0.2438377), wk = 0.0028653 k( 210) = ( 0.0365854 0.5000000 0.2438377), wk = 0.0028653 k( 211) = ( 0.0487805 0.5000000 0.2438377), wk = 0.0028653 k( 212) = ( 0.0609756 0.5000000 0.2438377), wk = 0.0028653 k( 213) = ( 0.0731707 0.5000000 0.2438377), wk = 0.0028653 k( 214) = ( 0.0853658 0.5000000 0.2438377), wk = 0.0028653 k( 215) = ( 0.0975610 0.5000000 0.2438377), wk = 0.0028653 k( 216) = ( 0.1097561 0.5000000 0.2438377), wk = 0.0028653 k( 217) = ( 0.1219512 0.5000000 0.2438377), wk = 0.0028653 k( 218) = ( 0.1341463 0.5000000 0.2438377), wk = 0.0028653 k( 219) = ( 0.1463415 0.5000000 0.2438377), wk = 0.0028653 k( 220) = ( 0.1585366 0.5000000 0.2438377), wk = 0.0028653 k( 221) = ( 0.1707317 0.5000000 0.2438377), wk = 0.0028653 k( 222) = ( 0.1829268 0.5000000 0.2438377), wk = 0.0028653 k( 223) = ( 0.1951219 0.5000000 0.2438377), wk = 0.0028653 k( 224) = ( 0.2073171 0.5000000 0.2438377), wk = 0.0028653 k( 225) = ( 0.2195122 0.5000000 0.2438377), wk = 0.0028653 k( 226) = ( 0.2317073 0.5000000 0.2438377), wk = 0.0028653 k( 227) = ( 0.2439024 0.5000000 0.2438377), wk = 0.0028653 k( 228) = ( 0.2560976 0.5000000 0.2438377), wk = 0.0028653 k( 229) = ( 0.2682927 0.5000000 0.2438377), wk = 0.0028653 k( 230) = ( 0.2804878 0.5000000 0.2438377), wk = 0.0028653 k( 231) = ( 0.2926829 0.5000000 0.2438377), wk = 0.0028653 k( 232) = ( 0.3048781 0.5000000 0.2438377), wk = 0.0028653 k( 233) = ( 0.3170732 0.5000000 0.2438377), wk = 0.0028653 k( 234) = ( 0.3292683 0.5000000 0.2438377), wk = 0.0028653 k( 235) = ( 0.3414634 0.5000000 0.2438377), wk = 0.0028653 k( 236) = ( 0.3536585 0.5000000 0.2438377), wk = 0.0028653 k( 237) = ( 0.3658537 0.5000000 0.2438377), wk = 0.0028653 k( 238) = ( 0.3780488 0.5000000 0.2438377), wk = 0.0028653 k( 239) = ( 0.3902439 0.5000000 0.2438377), wk = 0.0028653 k( 240) = ( 0.4024390 0.5000000 0.2438377), wk = 0.0028653 k( 241) = ( 0.4146341 0.5000000 0.2438377), wk = 0.0028653 k( 242) = ( 0.4268293 0.5000000 0.2438377), wk = 0.0028653 k( 243) = ( 0.4390244 0.5000000 0.2438377), wk = 0.0028653 k( 244) = ( 0.4512195 0.5000000 0.2438377), wk = 0.0028653 k( 245) = ( 0.4634146 0.5000000 0.2438377), wk = 0.0028653 k( 246) = ( 0.4756098 0.5000000 0.2438377), wk = 0.0028653 k( 247) = ( 0.4878049 0.5000000 0.2438377), wk = 0.0028653 k( 248) = ( 0.5000000 0.5000000 0.2438377), wk = 0.0028653 k( 249) = ( 0.5000000 0.5000000 0.2438377), wk = 0.0028653 k( 250) = ( 0.4913793 0.4913793 0.2438377), wk = 0.0028653 k( 251) = ( 0.4827586 0.4827586 0.2438377), wk = 0.0028653 k( 252) = ( 0.4741379 0.4741379 0.2438377), wk = 0.0028653 k( 253) = ( 0.4655172 0.4655172 0.2438377), wk = 0.0028653 k( 254) = ( 0.4568966 0.4568965 0.2438377), wk = 0.0028653 k( 255) = ( 0.4482759 0.4482759 0.2438377), wk = 0.0028653 k( 256) = ( 0.4396552 0.4396552 0.2438377), wk = 0.0028653 k( 257) = ( 0.4310345 0.4310345 0.2438377), wk = 0.0028653 k( 258) = ( 0.4224138 0.4224138 0.2438377), wk = 0.0028653 k( 259) = ( 0.4137931 0.4137931 0.2438377), wk = 0.0028653 k( 260) = ( 0.4051724 0.4051724 0.2438377), wk = 0.0028653 k( 261) = ( 0.3965517 0.3965517 0.2438377), wk = 0.0028653 k( 262) = ( 0.3879310 0.3879310 0.2438377), wk = 0.0028653 k( 263) = ( 0.3793103 0.3793103 0.2438377), wk = 0.0028653 k( 264) = ( 0.3706897 0.3706897 0.2438377), wk = 0.0028653 k( 265) = ( 0.3620690 0.3620690 0.2438377), wk = 0.0028653 k( 266) = ( 0.3534483 0.3534483 0.2438377), wk = 0.0028653 k( 267) = ( 0.3448276 0.3448276 0.2438377), wk = 0.0028653 k( 268) = ( 0.3362069 0.3362069 0.2438377), wk = 0.0028653 k( 269) = ( 0.3275862 0.3275862 0.2438377), wk = 0.0028653 k( 270) = ( 0.3189655 0.3189655 0.2438377), wk = 0.0028653 k( 271) = ( 0.3103448 0.3103448 0.2438377), wk = 0.0028653 k( 272) = ( 0.3017241 0.3017241 0.2438377), wk = 0.0028653 k( 273) = ( 0.2931034 0.2931034 0.2438377), wk = 0.0028653 k( 274) = ( 0.2844828 0.2844828 0.2438377), wk = 0.0028653 k( 275) = ( 0.2758621 0.2758621 0.2438377), wk = 0.0028653 k( 276) = ( 0.2672414 0.2672414 0.2438377), wk = 0.0028653 k( 277) = ( 0.2586207 0.2586207 0.2438377), wk = 0.0028653 k( 278) = ( 0.2500000 0.2500000 0.2438377), wk = 0.0028653 k( 279) = ( 0.2413793 0.2413793 0.2438377), wk = 0.0028653 k( 280) = ( 0.2327586 0.2327586 0.2438377), wk = 0.0028653 k( 281) = ( 0.2241379 0.2241379 0.2438377), wk = 0.0028653 k( 282) = ( 0.2155172 0.2155172 0.2438377), wk = 0.0028653 k( 283) = ( 0.2068966 0.2068965 0.2438377), wk = 0.0028653 k( 284) = ( 0.1982759 0.1982759 0.2438377), wk = 0.0028653 k( 285) = ( 0.1896552 0.1896552 0.2438377), wk = 0.0028653 k( 286) = ( 0.1810345 0.1810345 0.2438377), wk = 0.0028653 k( 287) = ( 0.1724138 0.1724138 0.2438377), wk = 0.0028653 k( 288) = ( 0.1637931 0.1637931 0.2438377), wk = 0.0028653 k( 289) = ( 0.1551724 0.1551724 0.2438377), wk = 0.0028653 k( 290) = ( 0.1465517 0.1465517 0.2438377), wk = 0.0028653 k( 291) = ( 0.1379310 0.1379310 0.2438377), wk = 0.0028653 k( 292) = ( 0.1293103 0.1293103 0.2438377), wk = 0.0028653 k( 293) = ( 0.1206897 0.1206897 0.2438377), wk = 0.0028653 k( 294) = ( 0.1120690 0.1120690 0.2438377), wk = 0.0028653 k( 295) = ( 0.1034483 0.1034483 0.2438377), wk = 0.0028653 k( 296) = ( 0.0948276 0.0948276 0.2438377), wk = 0.0028653 k( 297) = ( 0.0862069 0.0862069 0.2438377), wk = 0.0028653 k( 298) = ( 0.0775862 0.0775862 0.2438377), wk = 0.0028653 k( 299) = ( 0.0689655 0.0689655 0.2438377), wk = 0.0028653 k( 300) = ( 0.0603448 0.0603448 0.2438377), wk = 0.0028653 k( 301) = ( 0.0517241 0.0517241 0.2438377), wk = 0.0028653 k( 302) = ( 0.0431035 0.0431034 0.2438377), wk = 0.0028653 k( 303) = ( 0.0344828 0.0344828 0.2438377), wk = 0.0028653 k( 304) = ( 0.0258621 0.0258621 0.2438377), wk = 0.0028653 k( 305) = ( 0.0172414 0.0172414 0.2438377), wk = 0.0028653 k( 306) = ( 0.0086207 0.0086207 0.2438377), wk = 0.0028653 k( 307) = ( 0.0000000 0.0000000 0.2438377), wk = 0.0028653 k( 308) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 309) = ( 0.0000000 0.5000000 0.0121919), wk = 0.0028653 k( 310) = ( 0.0000000 0.5000000 0.0243838), wk = 0.0028653 k( 311) = ( 0.0000000 0.5000000 0.0365757), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 0.0487675), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.0609594), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.0731513), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.0853432), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.0975351), wk = 0.0028653 k( 317) = ( 0.0000000 0.5000000 0.1097270), wk = 0.0028653 k( 318) = ( 0.0000000 0.5000000 0.1219188), wk = 0.0028653 k( 319) = ( 0.0000000 0.5000000 0.1341107), wk = 0.0028653 k( 320) = ( 0.0000000 0.5000000 0.1463026), wk = 0.0028653 k( 321) = ( 0.0000000 0.5000000 0.1584945), wk = 0.0028653 k( 322) = ( 0.0000000 0.5000000 0.1706864), wk = 0.0028653 k( 323) = ( 0.0000000 0.5000000 0.1828783), wk = 0.0028653 k( 324) = ( 0.0000000 0.5000000 0.1950702), wk = 0.0028653 k( 325) = ( 0.0000000 0.5000000 0.2072620), wk = 0.0028653 k( 326) = ( 0.0000000 0.5000000 0.2194539), wk = 0.0028653 k( 327) = ( 0.0000000 0.5000000 0.2316458), wk = 0.0028653 k( 328) = ( 0.0000000 0.5000000 0.2438377), wk = 0.0028653 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 330) = ( 0.5000000 0.5000000 0.0121919), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 0.0243838), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.0365757), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.0487675), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.0609594), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.0731513), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.0853432), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.0975351), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.1097270), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.1219188), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.1341107), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.1463026), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.1584945), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.1706864), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.1828783), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.1950702), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.2072620), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.2194539), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.2316458), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.2438377), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0028653 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0028653 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0028653 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0028653 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0028653 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0028653 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0028653 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0028653 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0028653 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0028653 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0028653 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0028653 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0028653 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0028653 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0028653 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0028653 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0028653 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0028653 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0028653 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0028653 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0028653 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0028653 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0028653 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0028653 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0028653 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0028653 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0028653 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0028653 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0028653 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0028653 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028653 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0028653 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0028653 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0028653 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0028653 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0028653 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0028653 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0028653 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0028653 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0028653 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0028653 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028653 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028653 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028653 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028653 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0028653 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028653 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028653 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0028653 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0028653 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0028653 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028653 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028653 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028653 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028653 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028653 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028653 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0028653 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0028653 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0028653 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028653 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0028653 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0028653 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0028653 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0028653 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0028653 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028653 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0028653 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0028653 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0028653 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028653 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0028653 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0028653 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0028653 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0028653 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028653 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0028653 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028653 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0028653 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0028653 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0028653 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0028653 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0028653 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0028653 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0028653 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 166) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0028653 k( 167) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0028653 k( 168) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0028653 k( 169) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0028653 k( 170) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0028653 k( 171) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0028653 k( 172) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0028653 k( 173) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0028653 k( 174) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0028653 k( 175) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0028653 k( 176) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0028653 k( 177) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0028653 k( 178) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0028653 k( 179) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0028653 k( 180) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0028653 k( 181) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0028653 k( 182) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0028653 k( 183) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0028653 k( 184) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0028653 k( 185) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0028653 k( 186) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0028653 k( 187) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0028653 k( 188) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0028653 k( 189) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0028653 k( 190) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0028653 k( 191) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0028653 k( 192) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0028653 k( 193) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0028653 k( 194) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0028653 k( 195) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0028653 k( 196) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0028653 k( 197) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0028653 k( 198) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0028653 k( 199) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0028653 k( 200) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0028653 k( 201) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0028653 k( 202) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0028653 k( 203) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0028653 k( 204) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0028653 k( 205) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0028653 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 208) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0028653 k( 209) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0028653 k( 210) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0028653 k( 211) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0028653 k( 212) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0028653 k( 213) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0028653 k( 214) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0028653 k( 215) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0028653 k( 216) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0028653 k( 217) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0028653 k( 218) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0028653 k( 219) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0028653 k( 220) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0028653 k( 221) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0028653 k( 222) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0028653 k( 223) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0028653 k( 224) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0028653 k( 225) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0028653 k( 226) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0028653 k( 227) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0028653 k( 228) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0028653 k( 229) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0028653 k( 230) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0028653 k( 231) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0028653 k( 232) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0028653 k( 233) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0028653 k( 234) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0028653 k( 235) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0028653 k( 236) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0028653 k( 237) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0028653 k( 238) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0028653 k( 239) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0028653 k( 240) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0028653 k( 241) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0028653 k( 242) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0028653 k( 243) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0028653 k( 244) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0028653 k( 245) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0028653 k( 246) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0028653 k( 247) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0028653 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 250) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0028653 k( 251) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0028653 k( 252) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0028653 k( 253) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0028653 k( 254) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0028653 k( 255) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0028653 k( 256) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0028653 k( 257) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0028653 k( 258) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0028653 k( 259) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0028653 k( 260) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0028653 k( 261) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0028653 k( 262) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0028653 k( 263) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0028653 k( 264) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0028653 k( 265) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0028653 k( 266) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0028653 k( 267) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0028653 k( 268) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0028653 k( 269) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0028653 k( 270) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0028653 k( 271) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0028653 k( 272) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0028653 k( 273) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0028653 k( 274) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0028653 k( 275) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0028653 k( 276) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0028653 k( 277) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0028653 k( 278) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028653 k( 279) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0028653 k( 280) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0028653 k( 281) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0028653 k( 282) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0028653 k( 283) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0028653 k( 284) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0028653 k( 285) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0028653 k( 286) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0028653 k( 287) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0028653 k( 288) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0028653 k( 289) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0028653 k( 290) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0028653 k( 291) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0028653 k( 292) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0028653 k( 293) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0028653 k( 294) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0028653 k( 295) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0028653 k( 296) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0028653 k( 297) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0028653 k( 298) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0028653 k( 299) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0028653 k( 300) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0028653 k( 301) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0028653 k( 302) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0028653 k( 303) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0028653 k( 304) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0028653 k( 305) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0028653 k( 306) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0028653 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 308) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 309) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0028653 k( 310) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028653 k( 311) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028653 k( 317) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0028653 k( 318) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028653 k( 319) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0028653 k( 320) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028653 k( 321) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0028653 k( 322) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028653 k( 323) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028653 k( 324) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028653 k( 325) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0028653 k( 326) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028653 k( 327) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0028653 k( 328) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 329) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 330) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 Dense grid: 60815 G-vectors FFT dimensions: ( 40, 40, 80) Smooth grid: 38047 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 300, 44) NL pseudopotentials 0.23 Mb ( 150, 100) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1692) G-vector shells 0.01 Mb ( 843) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 300, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 100, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaHBr.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.9 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.7 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.8 secs Computing kpt #: 26 total cpu time spent up to now is 18.4 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.2 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.7 secs Computing kpt #: 37 total cpu time spent up to now is 25.2 secs Computing kpt #: 38 total cpu time spent up to now is 25.8 secs Computing kpt #: 39 total cpu time spent up to now is 26.3 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.6 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.8 secs Computing kpt #: 48 total cpu time spent up to now is 31.3 secs Computing kpt #: 49 total cpu time spent up to now is 31.9 secs Computing kpt #: 50 total cpu time spent up to now is 32.4 secs Computing kpt #: 51 total cpu time spent up to now is 32.9 secs Computing kpt #: 52 total cpu time spent up to now is 33.4 secs Computing kpt #: 53 total cpu time spent up to now is 33.9 secs Computing kpt #: 54 total cpu time spent up to now is 34.4 secs Computing kpt #: 55 total cpu time spent up to now is 34.9 secs Computing kpt #: 56 total cpu time spent up to now is 35.4 secs Computing kpt #: 57 total cpu time spent up to now is 35.8 secs Computing kpt #: 58 total cpu time spent up to now is 36.3 secs Computing kpt #: 59 total cpu time spent up to now is 36.8 secs Computing kpt #: 60 total cpu time spent up to now is 37.3 secs Computing kpt #: 61 total cpu time spent up to now is 37.7 secs Computing kpt #: 62 total cpu time spent up to now is 38.2 secs Computing kpt #: 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47.5 secs Computing kpt #: 79 total cpu time spent up to now is 48.1 secs Computing kpt #: 80 total cpu time spent up to now is 48.7 secs Computing kpt #: 81 total cpu time spent up to now is 49.3 secs Computing kpt #: 82 total cpu time spent up to now is 49.9 secs Computing kpt #: 83 total cpu time spent up to now is 50.4 secs Computing kpt #: 84 total cpu time spent up to now is 51.0 secs Computing kpt #: 85 total cpu time spent up to now is 51.5 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.7 secs Computing kpt #: 88 total cpu time spent up to now is 53.3 secs Computing kpt #: 89 total cpu time spent up to now is 54.0 secs Computing kpt #: 90 total cpu time spent up to now is 54.6 secs Computing kpt #: 91 total cpu time spent up to now is 55.2 secs Computing kpt #: 92 total cpu time spent up to now is 55.9 secs Computing kpt #: 93 total cpu time spent up to now is 56.6 secs Computing kpt #: 94 total cpu time spent up to now is 57.3 secs Computing kpt #: 95 total cpu time spent up to now is 58.2 secs Computing kpt #: 96 total cpu time spent up to now is 59.3 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.5 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.7 secs Computing kpt #: 99 total cpu time spent up to now is 62.8 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.0 secs Computing kpt #: 101 total cpu time spent up to now is 64.9 secs Computing kpt #: 102 total cpu time spent up to now is 65.7 secs Computing kpt #: 103 total cpu time spent up to now is 66.4 secs Computing kpt #: 104 total cpu time spent up to now is 67.1 secs Computing kpt #: 105 total cpu time spent up to now is 67.7 secs Computing kpt #: 106 total cpu time spent up to now is 68.3 secs Computing kpt #: 107 total cpu time spent up to now is 69.0 secs Computing kpt #: 108 total cpu time spent up to now is 69.6 secs Computing kpt #: 109 total cpu time spent up to now is 70.2 secs Computing kpt #: 110 total cpu time spent up to now is 70.8 secs Computing kpt #: 111 total cpu time spent up to now is 71.5 secs Computing kpt #: 112 total cpu time spent up to now is 72.1 secs Computing kpt #: 113 total cpu time spent up to now is 72.9 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.1 secs Computing kpt #: 115 total cpu time spent up to now is 75.3 secs Computing kpt #: 116 total cpu time spent up to now is 76.3 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.5 secs Computing kpt #: 118 total cpu time spent up to now is 79.6 secs Computing kpt #: 119 total cpu time spent up to now is 80.3 secs Computing kpt #: 120 total cpu time spent up to now is 81.1 secs Computing kpt #: 121 total cpu time spent up to now is 81.7 secs Computing kpt #: 122 total cpu time spent up to now is 82.4 secs Computing kpt #: 123 total cpu time spent up to now is 83.0 secs Computing kpt #: 124 total cpu time spent up to now is 83.7 secs Computing kpt #: 125 total cpu time spent up to now is 84.3 secs Computing kpt #: 126 total cpu time spent up to now is 85.0 secs Computing kpt #: 127 total cpu time spent up to now is 85.6 secs Computing kpt #: 128 total cpu time spent up to now is 86.2 secs Computing kpt #: 129 total cpu time spent up to now is 86.8 secs Computing kpt #: 130 total cpu time spent up to now is 87.4 secs Computing kpt #: 131 total cpu time spent up to now is 88.0 secs Computing kpt #: 132 total cpu time spent up to now is 88.6 secs Computing kpt #: 133 total cpu time spent up to now is 89.2 secs Computing kpt #: 134 total cpu time spent up to now is 89.8 secs Computing kpt #: 135 total cpu time spent up to now is 90.4 secs Computing kpt #: 136 total cpu time spent up to now is 91.0 secs Computing kpt #: 137 total cpu time spent up to now is 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#: 153 total cpu time spent up to now is 101.4 secs Computing kpt #: 154 total cpu time spent up to now is 102.0 secs Computing kpt #: 155 total cpu time spent up to now is 102.7 secs Computing kpt #: 156 total cpu time spent up to now is 103.3 secs Computing kpt #: 157 total cpu time spent up to now is 104.0 secs Computing kpt #: 158 total cpu time spent up to now is 104.6 secs Computing kpt #: 159 total cpu time spent up to now is 105.2 secs Computing kpt #: 160 total cpu time spent up to now is 105.8 secs Computing kpt #: 161 total cpu time spent up to now is 106.4 secs Computing kpt #: 162 total cpu time spent up to now is 107.0 secs Computing kpt #: 163 total cpu time spent up to now is 107.6 secs Computing kpt #: 164 total cpu time spent up to now is 108.2 secs Computing kpt #: 165 total cpu time spent up to now is 108.8 secs Computing kpt #: 166 total cpu time spent up to now is 109.4 secs Computing kpt #: 167 total cpu time spent up to now is 110.1 secs Computing kpt #: 168 total cpu time spent up to now is 110.7 secs Computing kpt #: 169 total cpu time spent up to now is 111.3 secs Computing kpt #: 170 total cpu time spent up to now is 111.9 secs Computing kpt #: 171 total cpu time spent up to now is 112.5 secs Computing kpt #: 172 total cpu time spent up to now is 113.1 secs Computing kpt #: 173 total cpu time spent up to now is 113.7 secs Computing kpt #: 174 total cpu time spent up to now is 114.3 secs Computing kpt #: 175 total cpu time spent up to now is 114.8 secs Computing kpt #: 176 total cpu time spent up to now is 115.4 secs Computing kpt #: 177 total cpu time spent up to now is 116.0 secs Computing kpt #: 178 total cpu time spent up to now is 116.5 secs Computing kpt #: 179 total cpu time spent up to now is 117.1 secs Computing kpt #: 180 total cpu time spent up to now is 117.7 secs Computing kpt #: 181 total cpu time spent up to now is 118.2 secs Computing kpt #: 182 total cpu time spent up to now is 118.8 secs Computing kpt #: 183 total cpu time spent up to now is 119.4 secs Computing kpt #: 184 total cpu time spent up to now is 120.0 secs Computing kpt #: 185 total cpu time spent up to now is 120.6 secs Computing kpt #: 186 total cpu time spent up to now is 121.2 secs Computing kpt #: 187 total cpu time spent up to now is 121.8 secs Computing kpt #: 188 total cpu time spent up to now is 122.4 secs Computing kpt #: 189 total cpu time spent up to now is 123.0 secs Computing kpt #: 190 total cpu time spent up to now is 123.6 secs Computing kpt #: 191 total cpu time spent up to now is 124.2 secs Computing kpt #: 192 total cpu time spent up to now is 124.9 secs Computing kpt #: 193 total cpu time spent up to now is 125.5 secs Computing kpt #: 194 total cpu time spent up to now is 126.4 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.5 secs Computing kpt #: 196 total cpu time spent up to now is 128.2 secs Computing kpt #: 197 total cpu time spent up to now is 128.8 secs Computing kpt #: 198 total cpu time spent up to now is 129.5 secs Computing kpt #: 199 total cpu time spent up to now is 130.1 secs Computing kpt #: 200 total cpu time spent up to now is 130.7 secs Computing kpt #: 201 total cpu time spent up to now is 131.2 secs Computing kpt #: 202 total cpu time spent up to now is 131.8 secs Computing kpt #: 203 total cpu time spent up to now is 132.4 secs Computing kpt #: 204 total cpu time spent up to now is 132.9 secs Computing kpt #: 205 total cpu time spent up to now is 133.5 secs Computing kpt #: 206 total cpu time spent up to now is 134.1 secs Computing kpt #: 207 total cpu time spent up to now is 134.6 secs Computing kpt #: 208 total cpu time spent up to now is 135.2 secs Computing kpt #: 209 total cpu time spent up to now is 135.7 secs Computing kpt #: 210 total cpu time spent up to now is 136.3 secs Computing kpt #: 211 total cpu time spent up to now is 136.9 secs Computing kpt #: 212 total cpu time spent up to now is 137.4 secs Computing kpt #: 213 total cpu time spent up to now is 138.0 secs Computing kpt #: 214 total cpu time spent up to now is 138.5 secs Computing kpt #: 215 total cpu time spent up to now is 139.1 secs Computing kpt #: 216 total cpu time spent up to now is 139.6 secs Computing kpt #: 217 total cpu time spent up to now is 140.1 secs Computing kpt #: 218 total cpu time spent up to now is 140.6 secs Computing kpt #: 219 total cpu time spent up to now is 141.1 secs Computing kpt #: 220 total cpu time spent up to now is 141.6 secs Computing kpt #: 221 total cpu time spent up to now is 142.1 secs Computing kpt #: 222 total cpu time spent up to now is 142.5 secs Computing kpt #: 223 total cpu time spent up to now is 143.0 secs Computing kpt #: 224 total cpu time spent up to now is 143.5 secs Computing kpt #: 225 total cpu time spent up to now is 144.0 secs Computing kpt #: 226 total cpu time spent up to now is 144.5 secs Computing kpt #: 227 total cpu time spent up to now is 145.0 secs Computing kpt #: 228 total cpu time spent up to now is 145.5 secs Computing kpt #: 229 total cpu time spent up to now is 146.1 secs Computing kpt #: 230 total cpu time spent up to now is 146.6 secs Computing kpt #: 231 total cpu time spent up to now is 147.1 secs Computing kpt #: 232 total cpu time spent up to now is 147.6 secs Computing kpt #: 233 total cpu time spent up to now is 148.1 secs Computing kpt #: 234 total cpu time spent up to now is 149.7 secs Computing kpt #: 235 total cpu time spent up to now is 150.3 secs Computing kpt #: 236 total cpu time spent up to now is 150.8 secs Computing kpt #: 237 total cpu time spent up to now is 151.3 secs Computing kpt #: 238 total cpu time spent up to now is 151.9 secs Computing kpt #: 239 total cpu time spent up to now is 152.4 secs Computing kpt #: 240 total cpu time spent up to now is 152.9 secs Computing kpt #: 241 total cpu time spent up to now is 153.4 secs Computing kpt #: 242 total cpu time spent up to now is 153.9 secs Computing kpt #: 243 total cpu time spent up to now is 154.3 secs Computing kpt #: 244 total cpu time spent up to now is 154.8 secs Computing kpt #: 245 total cpu time spent up to now is 155.3 secs Computing kpt #: 246 total cpu time spent up to now is 155.8 secs Computing kpt #: 247 total cpu time spent up to now is 156.3 secs Computing kpt #: 248 total cpu time spent up to now is 156.8 secs Computing kpt #: 249 total cpu time spent up to now is 157.3 secs Computing kpt #: 250 total cpu time spent up to now is 157.8 secs Computing kpt #: 251 total cpu time spent up to now is 158.3 secs Computing kpt #: 252 total cpu time spent up to now is 158.7 secs Computing kpt #: 253 total cpu time spent up to now is 159.2 secs Computing kpt #: 254 total cpu time spent up to now is 159.7 secs Computing kpt #: 255 total cpu time spent up to now is 160.3 secs Computing kpt #: 256 total cpu time spent up to now is 160.8 secs Computing kpt #: 257 total cpu time spent up to now is 161.3 secs Computing kpt #: 258 total cpu time spent up to now is 161.8 secs Computing kpt #: 259 total cpu time spent up to now is 162.4 secs Computing kpt #: 260 total cpu time spent up to now is 162.9 secs Computing kpt #: 261 total cpu time spent up to now is 163.5 secs Computing kpt #: 262 total cpu time spent up to now is 164.0 secs Computing kpt #: 263 total cpu time spent up to now is 164.6 secs Computing kpt #: 264 total cpu time spent up to now is 165.2 secs Computing kpt #: 265 total cpu time spent up to now is 165.8 secs Computing kpt #: 266 total cpu time spent up to now is 166.4 secs Computing kpt #: 267 total cpu time spent up to now is 167.0 secs Computing kpt #: 268 total cpu time spent up to now is 167.7 secs Computing kpt #: 269 total cpu time spent up to now is 168.4 secs Computing kpt #: 270 total cpu time spent up to now is 169.1 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.2 secs Computing kpt #: 272 total cpu time spent up to now is 171.1 secs Computing kpt #: 273 total cpu time spent up to now is 172.0 secs Computing kpt #: 274 total cpu time spent up to now is 172.8 secs Computing kpt #: 275 total cpu time spent up to now is 173.6 secs Computing kpt #: 276 total cpu time spent up to now is 174.6 secs Computing kpt #: 277 total cpu time spent up to now is 175.6 secs Computing kpt #: 278 total cpu time spent up to now is 176.6 secs Computing kpt #: 279 total cpu time spent up to now is 177.5 secs Computing kpt #: 280 total cpu time spent up to now is 178.3 secs Computing kpt #: 281 total cpu time spent up to now is 179.2 secs Computing kpt #: 282 total cpu time spent up to now is 180.0 secs Computing kpt #: 283 total cpu time spent up to now is 180.8 secs Computing kpt #: 284 total cpu time spent up to now is 181.7 secs Computing kpt #: 285 total cpu time spent up to now is 182.5 secs Computing kpt #: 286 total cpu time spent up to now is 183.6 secs Computing kpt #: 287 total cpu time spent up to now is 184.3 secs Computing kpt #: 288 total cpu time spent up to now is 185.0 secs Computing kpt #: 289 total cpu time spent up to now is 185.8 secs Computing kpt #: 290 total cpu time spent up to now is 186.6 secs Computing kpt #: 291 total cpu time spent up to now is 187.4 secs Computing kpt #: 292 total cpu time spent up to now is 188.1 secs Computing kpt #: 293 total cpu time spent up to now is 188.7 secs Computing kpt #: 294 total cpu time spent up to now is 189.3 secs Computing kpt #: 295 total cpu time spent up to now is 189.9 secs Computing kpt #: 296 total cpu time spent up to now is 190.6 secs Computing kpt #: 297 total cpu time spent up to now is 191.2 secs Computing kpt #: 298 total cpu time spent up to now is 191.8 secs Computing kpt #: 299 total cpu time spent up to now is 192.5 secs Computing kpt #: 300 total cpu time spent up to now is 193.1 secs Computing kpt #: 301 total cpu time spent up to now is 193.7 secs Computing kpt #: 302 total cpu time spent up to now is 194.3 secs Computing kpt #: 303 total cpu time spent up to now is 194.9 secs Computing kpt #: 304 total cpu time spent up to now is 195.6 secs Computing kpt #: 305 total cpu time spent up to now is 196.2 secs Computing kpt #: 306 total cpu time spent up to now is 196.8 secs Computing kpt #: 307 total cpu time spent up to now is 197.4 secs Computing kpt #: 308 total cpu time spent up to now is 197.9 secs Computing kpt #: 309 total cpu time spent up to now is 198.5 secs Computing kpt #: 310 total cpu time spent up to now is 199.0 secs Computing kpt #: 311 total cpu time spent up to now is 199.6 secs Computing kpt #: 312 total cpu time spent up to now is 200.1 secs Computing kpt #: 313 total cpu time spent up to now is 200.6 secs Computing kpt #: 314 total cpu time spent up to now is 201.2 secs Computing kpt #: 315 total cpu time spent up to now is 201.7 secs Computing kpt #: 316 total cpu time spent up to now is 202.3 secs Computing kpt #: 317 total cpu time spent up to now is 202.9 secs Computing kpt #: 318 total cpu time spent up to now is 203.4 secs Computing kpt #: 319 total cpu time spent up to now is 204.0 secs Computing kpt #: 320 total cpu time spent up to now is 204.5 secs Computing kpt #: 321 total cpu time spent up to now is 205.1 secs Computing kpt #: 322 total cpu time spent up to now is 205.6 secs Computing kpt #: 323 total cpu time spent up to now is 206.2 secs Computing kpt #: 324 total cpu time spent up to now is 206.7 secs Computing kpt #: 325 total cpu time spent up to now is 207.3 secs Computing kpt #: 326 total cpu time spent up to now is 207.9 secs Computing kpt #: 327 total cpu time spent up to now is 208.4 secs Computing kpt #: 328 total cpu time spent up to now is 209.0 secs Computing kpt #: 329 total cpu time spent up to now is 209.5 secs Computing kpt #: 330 total cpu time spent up to now is 210.1 secs Computing kpt #: 331 total cpu time spent up to now is 210.7 secs Computing kpt #: 332 total cpu time spent up to now is 211.2 secs Computing kpt #: 333 total cpu time spent up to now is 211.8 secs Computing kpt #: 334 total cpu time spent up to now is 212.3 secs Computing kpt #: 335 total cpu time spent up to now is 212.9 secs Computing kpt #: 336 total cpu time spent up to now is 213.5 secs Computing kpt #: 337 total cpu time spent up to now is 214.0 secs Computing kpt #: 338 total cpu time spent up to now is 214.5 secs Computing kpt #: 339 total cpu time spent up to now is 215.1 secs Computing kpt #: 340 total cpu time spent up to now is 215.6 secs Computing kpt #: 341 total cpu time spent up to now is 216.1 secs Computing kpt #: 342 total cpu time spent up to now is 216.7 secs Computing kpt #: 343 total cpu time spent up to now is 217.2 secs Computing kpt #: 344 total cpu time spent up to now is 217.7 secs Computing kpt #: 345 total cpu time spent up to now is 218.2 secs Computing kpt #: 346 total cpu time spent up to now is 218.7 secs Computing kpt #: 347 total cpu time spent up to now is 219.2 secs Computing kpt #: 348 total cpu time spent up to now is 219.7 secs Computing kpt #: 349 total cpu time spent up to now is 220.2 secs ethr = 2.78E-08, avg # of iterations = 42.9 total cpu time spent up to now is 220.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6433 -15.6433 -15.5938 -15.5938 -15.5411 -15.5411 -9.2336 -9.2336 -8.8984 -8.8984 0.1362 0.1362 2.8637 2.8637 3.0125 3.0125 3.1599 3.1599 3.3887 3.3887 3.5240 3.5240 3.6576 3.6576 3.9438 3.9438 8.5559 8.5559 8.6110 8.6110 9.2760 9.2760 9.2920 9.2920 k = 0.0000 0.0122-0.0000 ( 4769 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9543 -15.9543 -15.7301 -15.7301 -15.6434 -15.6434 -15.5937 -15.5937 -15.5411 -15.5411 -9.2332 -9.2332 -8.8982 -8.8982 0.1374 0.1374 2.8620 2.8620 3.0097 3.0097 3.1590 3.1590 3.3875 3.3875 3.5238 3.5238 3.6589 3.6589 3.9438 3.9438 8.5558 8.5558 8.6132 8.6132 9.2743 9.2743 9.2903 9.2903 k = 0.0000 0.0244-0.0000 ( 4761 PWs) bands (ev): -34.7733 -34.7733 -34.7330 -34.7330 -16.0827 -16.0827 -15.9547 -15.9547 -15.7300 -15.7300 -15.6437 -15.6437 -15.5937 -15.5937 -15.5414 -15.5414 -9.2320 -9.2320 -8.8976 -8.8976 0.1410 0.1410 2.8569 2.8569 3.0016 3.0016 3.1564 3.1564 3.3839 3.3839 3.5233 3.5233 3.6626 3.6626 3.9438 3.9438 8.5552 8.5552 8.6195 8.6195 9.2691 9.2691 9.2852 9.2852 k = 0.0000 0.0366-0.0000 ( 4759 PWs) bands (ev): -34.7732 -34.7732 -34.7330 -34.7330 -16.0826 -16.0826 -15.9553 -15.9553 -15.7298 -15.7298 -15.6443 -15.6443 -15.5936 -15.5936 -15.5419 -15.5419 -9.2299 -9.2299 -8.8967 -8.8967 0.1469 0.1469 2.8479 2.8479 2.9887 2.9887 3.1514 3.1514 3.3787 3.3787 3.5229 3.5229 3.6682 3.6682 3.9439 3.9439 8.5541 8.5541 8.6298 8.6298 9.2604 9.2604 9.2775 9.2775 k = 0.0000 0.0488-0.0000 ( 4757 PWs) bands (ev): -34.7730 -34.7730 -34.7331 -34.7331 -16.0826 -16.0826 -15.9561 -15.9561 -15.7296 -15.7296 -15.6451 -15.6451 -15.5934 -15.5934 -15.5426 -15.5426 -9.2270 -9.2270 -8.8955 -8.8955 0.1551 0.1551 2.8345 2.8345 2.9717 2.9717 3.1439 3.1439 3.3727 3.3727 3.5226 3.5226 3.6752 3.6752 3.9441 3.9441 8.5526 8.5526 8.6436 8.6436 9.2486 9.2486 9.2678 9.2678 k = 0.0000 0.0610-0.0000 ( 4757 PWs) bands (ev): -34.7728 -34.7728 -34.7331 -34.7331 -16.0825 -16.0825 -15.9571 -15.9571 -15.7294 -15.7294 -15.6461 -15.6461 -15.5933 -15.5933 -15.5435 -15.5435 -9.2234 -9.2234 -8.8939 -8.8939 0.1657 0.1657 2.8159 2.8159 2.9513 2.9513 3.1335 3.1335 3.3669 3.3669 3.5227 3.5227 3.6831 3.6831 3.9444 3.9444 8.5506 8.5506 8.6606 8.6606 9.2346 9.2346 9.2564 9.2564 k = 0.0000 0.0732-0.0000 ( 4763 PWs) bands (ev): -34.7726 -34.7726 -34.7332 -34.7332 -16.0825 -16.0825 -15.9584 -15.9584 -15.7291 -15.7291 -15.6473 -15.6473 -15.5932 -15.5932 -15.5446 -15.5446 -9.2189 -9.2189 -8.8920 -8.8920 0.1786 0.1786 2.7916 2.7916 2.9280 2.9280 3.1205 3.1205 3.3620 3.3620 3.5232 3.5232 3.6914 3.6914 3.9447 3.9447 8.5479 8.5479 8.6802 8.6802 9.2193 9.2193 9.2433 9.2433 k = 0.0000 0.0854-0.0000 ( 4753 PWs) bands (ev): -34.7722 -34.7722 -34.7332 -34.7332 -16.0824 -16.0824 -15.9599 -15.9599 -15.7287 -15.7287 -15.6486 -15.6486 -15.5931 -15.5931 -15.5457 -15.5457 -9.2137 -9.2137 -8.8898 -8.8898 0.1938 0.1938 2.7612 2.7612 2.9017 2.9017 3.1055 3.1055 3.3587 3.3587 3.5243 3.5243 3.6999 3.6999 3.9452 3.9452 8.5447 8.5447 8.7018 8.7018 9.2038 9.2038 9.2289 9.2289 k = 0.0000 0.0976-0.0000 ( 4753 PWs) bands (ev): -34.7719 -34.7719 -34.7333 -34.7333 -16.0824 -16.0824 -15.9616 -15.9616 -15.7284 -15.7284 -15.6501 -15.6501 -15.5930 -15.5930 -15.5470 -15.5470 -9.2077 -9.2077 -8.8873 -8.8873 0.2112 0.2112 2.7250 2.7250 2.8720 2.8720 3.0894 3.0894 3.3570 3.3570 3.5258 3.5258 3.7082 3.7082 3.9458 3.9458 8.5408 8.5408 8.7245 8.7245 9.1890 9.1890 9.2132 9.2132 k = 0.0000 0.1098-0.0000 ( 4761 PWs) bands (ev): -34.7715 -34.7715 -34.7334 -34.7334 -16.0824 -16.0824 -15.9636 -15.9636 -15.7280 -15.7280 -15.6517 -15.6517 -15.5930 -15.5930 -15.5485 -15.5485 -9.2010 -9.2010 -8.8845 -8.8845 0.2308 0.2308 2.6836 2.6836 2.8385 2.8385 3.0730 3.0730 3.3570 3.3570 3.5278 3.5278 3.7162 3.7162 3.9465 3.9465 8.5362 8.5362 8.7477 8.7477 9.1754 9.1754 9.1966 9.1966 k = 0.0000 0.1220-0.0000 ( 4757 PWs) bands (ev): -34.7710 -34.7710 -34.7335 -34.7335 -16.0823 -16.0823 -15.9657 -15.9657 -15.7275 -15.7275 -15.6533 -15.6533 -15.5931 -15.5931 -15.5500 -15.5500 -9.1936 -9.1936 -8.8815 -8.8815 0.2526 0.2526 2.6375 2.6375 2.8007 2.8007 3.0569 3.0569 3.3584 3.3584 3.5301 3.5301 3.7239 3.7239 3.9475 3.9475 8.5311 8.5311 8.7707 8.7707 9.1634 9.1634 9.1795 9.1795 k = 0.0000 0.1341-0.0000 ( 4745 PWs) bands (ev): -34.7705 -34.7705 -34.7336 -34.7336 -16.0822 -16.0822 -15.9681 -15.9681 -15.7270 -15.7270 -15.6550 -15.6550 -15.5933 -15.5933 -15.5515 -15.5515 -9.1856 -9.1856 -8.8783 -8.8783 0.2764 0.2764 2.5875 2.5875 2.7587 2.7587 3.0415 3.0415 3.3612 3.3612 3.5328 3.5328 3.7313 3.7313 3.9486 3.9486 8.5256 8.5256 8.7930 8.7930 9.1527 9.1527 9.1631 9.1631 k = 0.0000 0.1463-0.0000 ( 4747 PWs) bands (ev): -34.7700 -34.7700 -34.7338 -34.7338 -16.0822 -16.0822 -15.9706 -15.9706 -15.7265 -15.7265 -15.6568 -15.6568 -15.5936 -15.5936 -15.5531 -15.5531 -9.1769 -9.1769 -8.8749 -8.8749 0.3023 0.3023 2.5342 2.5342 2.7128 2.7128 3.0266 3.0266 3.3651 3.3651 3.5359 3.5359 3.7382 3.7382 3.9498 3.9498 8.5199 8.5199 8.8139 8.8139 9.1392 9.1392 9.1519 9.1519 k = 0.0000 0.1585-0.0000 ( 4737 PWs) bands (ev): -34.7695 -34.7695 -34.7339 -34.7339 -16.0821 -16.0821 -15.9734 -15.9734 -15.7260 -15.7260 -15.6586 -15.6586 -15.5940 -15.5940 -15.5547 -15.5547 -9.1676 -9.1676 -8.8713 -8.8713 0.3301 0.3301 2.4784 2.4784 2.6637 2.6637 3.0118 3.0118 3.3699 3.3699 3.5393 3.5393 3.7446 3.7446 3.9512 3.9512 8.5142 8.5142 8.8331 8.8331 9.1222 9.1222 9.1471 9.1471 k = 0.0000 0.1707-0.0000 ( 4737 PWs) bands (ev): -34.7688 -34.7688 -34.7341 -34.7341 -16.0821 -16.0821 -15.9762 -15.9762 -15.7256 -15.7256 -15.6604 -15.6604 -15.5945 -15.5945 -15.5563 -15.5563 -9.1578 -9.1578 -8.8676 -8.8676 0.3599 0.3599 2.4205 2.4205 2.6120 2.6120 2.9968 2.9968 3.3756 3.3756 3.5430 3.5430 3.7507 3.7507 3.9528 3.9528 8.5087 8.5087 8.8504 8.8504 9.1046 9.1046 9.1463 9.1463 k = 0.0000 0.1829-0.0000 ( 4743 PWs) bands (ev): -34.7682 -34.7682 -34.7342 -34.7342 -16.0820 -16.0820 -15.9793 -15.9793 -15.7251 -15.7251 -15.6622 -15.6622 -15.5951 -15.5951 -15.5579 -15.5579 -9.1475 -9.1475 -8.8638 -8.8638 0.3914 0.3914 2.3610 2.3610 2.5583 2.5583 2.9812 2.9812 3.3819 3.3819 3.5470 3.5470 3.7564 3.7564 3.9544 3.9544 8.5038 8.5038 8.8657 8.8657 9.0872 9.0872 9.1488 9.1488 k = 0.0000 0.1951-0.0000 ( 4745 PWs) bands (ev): -34.7675 -34.7675 -34.7344 -34.7344 -16.0820 -16.0820 -15.9826 -15.9826 -15.7246 -15.7246 -15.6640 -15.6640 -15.5959 -15.5959 -15.5595 -15.5595 -9.1367 -9.1367 -8.8599 -8.8599 0.4246 0.4246 2.3005 2.3005 2.5033 2.5033 2.9648 2.9648 3.3888 3.3888 3.5513 3.5513 3.7618 3.7618 3.9561 3.9561 8.4995 8.4995 8.8791 8.8791 9.0705 9.0705 9.1546 9.1546 k = 0.0000 0.2073-0.0000 ( 4740 PWs) bands (ev): -34.7668 -34.7668 -34.7346 -34.7346 -16.0819 -16.0819 -15.9859 -15.9859 -15.7242 -15.7242 -15.6657 -15.6657 -15.5967 -15.5967 -15.5609 -15.5609 -9.1254 -9.1254 -8.8561 -8.8561 0.4595 0.4595 2.2394 2.2394 2.4476 2.4476 2.9471 2.9471 3.3962 3.3962 3.5557 3.5557 3.7669 3.7669 3.9579 3.9579 8.4963 8.4963 8.8908 8.8909 9.0546 9.0546 9.1637 9.1637 k = 0.0000 0.2195-0.0000 ( 4734 PWs) bands (ev): -34.7661 -34.7661 -34.7349 -34.7349 -16.0819 -16.0819 -15.9894 -15.9894 -15.7237 -15.7237 -15.6675 -15.6675 -15.5976 -15.5976 -15.5623 -15.5623 -9.1138 -9.1138 -8.8522 -8.8522 0.4959 0.4959 2.1780 2.1780 2.3917 2.3917 2.9279 2.9279 3.4040 3.4040 3.5604 3.5604 3.7718 3.7718 3.9596 3.9596 8.4942 8.4942 8.9011 8.9011 9.0399 9.0399 9.1761 9.1761 k = 0.0000 0.2317-0.0000 ( 4742 PWs) bands (ev): -34.7654 -34.7654 -34.7351 -34.7351 -16.0819 -16.0819 -15.9930 -15.9930 -15.7233 -15.7233 -15.6692 -15.6692 -15.5985 -15.5985 -15.5637 -15.5637 -9.1019 -9.1019 -8.8484 -8.8484 0.5336 0.5336 2.1168 2.1168 2.3361 2.3361 2.9070 2.9070 3.4122 3.4122 3.5651 3.5651 3.7765 3.7765 3.9612 3.9612 8.4934 8.4934 8.9101 8.9101 9.0265 9.0265 9.1917 9.1917 k = 0.0000 0.2439-0.0000 ( 4742 PWs) bands (ev): -34.7646 -34.7646 -34.7354 -34.7354 -16.0819 -16.0819 -15.9966 -15.9966 -15.7229 -15.7229 -15.6709 -15.6709 -15.5995 -15.5995 -15.5651 -15.5651 -9.0896 -9.0896 -8.8448 -8.8448 0.5726 0.5726 2.0560 2.0560 2.2813 2.2813 2.8843 2.8843 3.4206 3.4206 3.5700 3.5700 3.7812 3.7812 3.9627 3.9627 8.4940 8.4940 8.9181 8.9181 9.0145 9.0145 9.2107 9.2107 k = 0.0000 0.2561-0.0000 ( 4740 PWs) bands (ev): -34.7638 -34.7638 -34.7357 -34.7357 -16.0818 -16.0818 -16.0004 -16.0004 -15.7225 -15.7225 -15.6726 -15.6726 -15.6004 -15.6004 -15.5664 -15.5664 -9.0772 -9.0772 -8.8412 -8.8412 0.6126 0.6126 1.9960 1.9960 2.2277 2.2277 2.8596 2.8596 3.4293 3.4293 3.5748 3.5748 3.7857 3.7857 3.9641 3.9641 8.4960 8.4960 8.9253 8.9253 9.0042 9.0042 9.2331 9.2331 k = 0.0000 0.2683-0.0000 ( 4740 PWs) bands (ev): -34.7629 -34.7629 -34.7360 -34.7360 -16.0818 -16.0818 -16.0042 -16.0042 -15.7221 -15.7221 -15.6743 -15.6743 -15.6013 -15.6013 -15.5676 -15.5676 -9.0645 -9.0645 -8.8379 -8.8379 0.6535 0.6535 1.9371 1.9371 2.1758 2.1758 2.8330 2.8330 3.4382 3.4382 3.5796 3.5796 3.7903 3.7903 3.9652 3.9652 8.4995 8.4995 8.9318 8.9318 8.9957 8.9957 9.2588 9.2588 k = 0.0000 0.2805-0.0000 ( 4738 PWs) bands (ev): -34.7621 -34.7621 -34.7363 -34.7363 -16.0817 -16.0817 -16.0080 -16.0080 -15.7218 -15.7218 -15.6759 -15.6759 -15.6021 -15.6021 -15.5689 -15.5689 -9.0518 -9.0518 -8.8348 -8.8348 0.6952 0.6952 1.8796 1.8796 2.1261 2.1261 2.8042 2.8042 3.4471 3.4471 3.5843 3.5843 3.7950 3.7950 3.9661 3.9661 8.5046 8.5046 8.9377 8.9377 8.9891 8.9891 9.2878 9.2878 k = 0.0000 0.2927-0.0000 ( 4740 PWs) bands (ev): -34.7612 -34.7612 -34.7367 -34.7367 -16.0816 -16.0816 -16.0119 -16.0119 -15.7214 -15.7214 -15.6776 -15.6776 -15.6028 -15.6028 -15.5701 -15.5701 -9.0389 -9.0389 -8.8319 -8.8319 0.7372 0.7372 1.8236 1.8236 2.0788 2.0788 2.7734 2.7734 3.4562 3.4562 3.5887 3.5887 3.7999 3.7999 3.9667 3.9667 8.5111 8.5111 8.9430 8.9430 8.9845 8.9845 9.3202 9.3202 k = 0.0000 0.3049-0.0000 ( 4736 PWs) bands (ev): -34.7604 -34.7604 -34.7371 -34.7371 -16.0815 -16.0815 -16.0158 -16.0158 -15.7210 -15.7210 -15.6793 -15.6793 -15.6033 -15.6033 -15.5713 -15.5713 -9.0261 -9.0261 -8.8294 -8.8294 0.7795 0.7795 1.7694 1.7694 2.0346 2.0346 2.7405 2.7405 3.4652 3.4652 3.5929 3.5929 3.8049 3.8049 3.9670 3.9670 8.5192 8.5192 8.9476 8.9476 8.9819 8.9819 9.3557 9.3557 k = 0.0000 0.3171-0.0000 ( 4732 PWs) bands (ev): -34.7595 -34.7595 -34.7375 -34.7375 -16.0813 -16.0813 -16.0197 -16.0197 -15.7206 -15.7206 -15.6810 -15.6810 -15.6037 -15.6037 -15.5725 -15.5725 -9.0133 -9.0133 -8.8272 -8.8272 0.8217 0.8217 1.7172 1.7172 1.9938 1.9938 2.7056 2.7056 3.4743 3.4743 3.5966 3.5966 3.8102 3.8102 3.9669 3.9669 8.5287 8.5287 8.9515 8.9515 8.9815 8.9815 9.3943 9.3943 k = 0.0000 0.3293-0.0000 ( 4736 PWs) bands (ev): -34.7586 -34.7586 -34.7379 -34.7379 -16.0811 -16.0811 -16.0236 -16.0236 -15.7201 -15.7201 -15.6827 -15.6827 -15.6040 -15.6040 -15.5737 -15.5737 -9.0005 -9.0005 -8.8254 -8.8254 0.8634 0.8634 1.6672 1.6672 1.9568 1.9568 2.6687 2.6687 3.4832 3.4832 3.5999 3.5999 3.8158 3.8158 3.9664 3.9664 8.5395 8.5395 8.9544 8.9544 8.9834 8.9834 9.4357 9.4357 k = 0.0000 0.3415-0.0000 ( 4734 PWs) bands (ev): -34.7577 -34.7577 -34.7384 -34.7384 -16.0809 -16.0809 -16.0274 -16.0274 -15.7196 -15.7196 -15.6845 -15.6845 -15.6041 -15.6041 -15.5750 -15.5750 -8.9879 -8.9879 -8.8240 -8.8240 0.9043 0.9043 1.6196 1.6196 1.9243 1.9243 2.6300 2.6300 3.4921 3.4921 3.6027 3.6027 3.8217 3.8217 3.9654 3.9654 8.5518 8.5518 8.9561 8.9561 8.9874 8.9874 9.4798 9.4798 k = 0.0000 0.3537-0.0000 ( 4734 PWs) bands (ev): -34.7568 -34.7568 -34.7388 -34.7388 -16.0805 -16.0805 -16.0311 -16.0311 -15.7191 -15.7191 -15.6862 -15.6862 -15.6040 -15.6040 -15.5762 -15.5762 -8.9755 -8.9755 -8.8231 -8.8231 0.9439 0.9439 1.5743 1.5743 1.8967 1.8967 2.5896 2.5896 3.5008 3.5008 3.6050 3.6050 3.8279 3.8279 3.9640 3.9640 8.5653 8.5653 8.9563 8.9563 8.9938 8.9938 9.5261 9.5261 k = 0.0000 0.3659-0.0000 ( 4740 PWs) bands (ev): -34.7559 -34.7559 -34.7393 -34.7393 -16.0801 -16.0801 -16.0349 -16.0349 -15.7185 -15.7185 -15.6880 -15.6880 -15.6038 -15.6038 -15.5775 -15.5775 -8.9633 -8.9633 -8.8227 -8.8227 0.9817 0.9817 1.5317 1.5317 1.8745 1.8745 2.5476 2.5476 3.5094 3.5094 3.6066 3.6066 3.8343 3.8343 3.9622 3.9622 8.5801 8.5801 8.9548 8.9548 9.0025 9.0025 9.5741 9.5741 k = 0.0000 0.3780-0.0000 ( 4740 PWs) bands (ev): -34.7550 -34.7550 -34.7399 -34.7399 -16.0796 -16.0796 -16.0385 -16.0385 -15.7179 -15.7179 -15.6898 -15.6898 -15.6034 -15.6034 -15.5788 -15.5788 -8.9514 -8.9514 -8.8228 -8.8228 1.0174 1.0174 1.4917 1.4917 1.8583 1.8583 2.5042 2.5042 3.5178 3.5178 3.6076 3.6076 3.8411 3.8411 3.9599 3.9599 8.5961 8.5961 8.9514 8.9514 9.0136 9.0136 9.6211 9.6212 k = 0.0000 0.3902-0.0000 ( 4740 PWs) bands (ev): -34.7541 -34.7541 -34.7404 -34.7404 -16.0789 -16.0789 -16.0419 -16.0419 -15.7171 -15.7171 -15.6916 -15.6916 -15.6028 -15.6028 -15.5802 -15.5802 -8.9399 -8.9399 -8.8235 -8.8235 1.0504 1.0504 1.4544 1.4544 1.8485 1.8485 2.4595 2.4595 3.5259 3.5259 3.6080 3.6080 3.8481 3.8481 3.9572 3.9572 8.6133 8.6133 8.9457 8.9457 9.0271 9.0271 9.6077 9.6077 k = 0.0000 0.4024-0.0000 ( 4730 PWs) bands (ev): -34.7532 -34.7532 -34.7410 -34.7410 -16.0782 -16.0782 -16.0453 -16.0453 -15.7163 -15.7163 -15.6934 -15.6934 -15.6021 -15.6021 -15.5815 -15.5815 -8.9287 -8.9287 -8.8247 -8.8247 1.0804 1.0804 1.4198 1.4198 1.8456 1.8456 2.4138 2.4138 3.5338 3.5338 3.6078 3.6078 3.8552 3.8552 3.9540 3.9540 8.6316 8.6316 8.9378 8.9378 9.0430 9.0430 9.5660 9.5660 k = 0.0000 0.4146-0.0000 ( 4736 PWs) bands (ev): -34.7523 -34.7523 -34.7416 -34.7416 -16.0773 -16.0773 -16.0486 -16.0486 -15.7154 -15.7154 -15.6952 -15.6952 -15.6013 -15.6013 -15.5829 -15.5829 -8.9179 -8.9179 -8.8265 -8.8265 1.1072 1.1072 1.3880 1.3880 1.8497 1.8497 2.3672 2.3672 3.5414 3.5414 3.6069 3.6069 3.8625 3.8625 3.9503 3.9503 8.6508 8.6508 8.9275 8.9275 9.0613 9.0613 9.5236 9.5236 k = 0.0000 0.4268-0.0000 ( 4752 PWs) bands (ev): -34.7515 -34.7515 -34.7422 -34.7422 -16.0763 -16.0763 -16.0517 -16.0517 -15.7145 -15.7145 -15.6970 -15.6970 -15.6003 -15.6003 -15.5844 -15.5844 -8.9076 -8.9076 -8.8290 -8.8290 1.1308 1.1308 1.3589 1.3589 1.8607 1.8607 2.3201 2.3201 3.5487 3.5487 3.6054 3.6054 3.8699 3.8699 3.9461 3.9461 8.6710 8.6710 8.9149 8.9149 9.0819 9.0819 9.4816 9.4816 k = 0.0000 0.4390-0.0000 ( 4740 PWs) bands (ev): -34.7506 -34.7506 -34.7429 -34.7429 -16.0752 -16.0752 -16.0546 -16.0546 -15.7134 -15.7134 -15.6987 -15.6987 -15.5993 -15.5993 -15.5858 -15.5858 -8.8978 -8.8978 -8.8320 -8.8320 1.1516 1.1516 1.3324 1.3324 1.8783 1.8783 2.2727 2.2727 3.5557 3.5557 3.6034 3.6034 3.8773 3.8773 3.9416 3.9416 8.6920 8.6920 8.9002 8.9002 9.1048 9.1048 9.4404 9.4404 k = 0.0000 0.4512-0.0000 ( 4746 PWs) bands (ev): -34.7497 -34.7497 -34.7436 -34.7436 -16.0739 -16.0739 -16.0574 -16.0574 -15.7123 -15.7123 -15.7005 -15.7005 -15.5981 -15.5981 -15.5872 -15.5872 -8.8885 -8.8885 -8.8357 -8.8357 1.1699 1.1699 1.3084 1.3084 1.9021 1.9021 2.2253 2.2253 3.5624 3.5624 3.6008 3.6008 3.8847 3.8847 3.9366 3.9366 8.7135 8.7135 8.8835 8.8835 9.1299 9.1299 9.3999 9.3999 k = 0.0000 0.4634-0.0000 ( 4754 PWs) bands (ev): -34.7489 -34.7489 -34.7443 -34.7443 -16.0724 -16.0724 -16.0601 -16.0601 -15.7111 -15.7111 -15.7022 -15.7022 -15.5969 -15.5969 -15.5887 -15.5887 -8.8798 -8.8798 -8.8401 -8.8401 1.1865 1.1865 1.2867 1.2867 1.9314 1.9314 2.1783 2.1783 3.5687 3.5687 3.5976 3.5976 3.8920 3.8920 3.9311 3.9311 8.7356 8.7356 8.8651 8.8651 9.1571 9.1571 9.3606 9.3606 k = 0.0000 0.4756-0.0000 ( 4750 PWs) bands (ev): -34.7481 -34.7481 -34.7450 -34.7450 -16.0708 -16.0708 -16.0626 -16.0626 -15.7098 -15.7098 -15.7038 -15.7038 -15.5956 -15.5956 -15.5901 -15.5901 -8.8716 -8.8716 -8.8451 -8.8451 1.2021 1.2021 1.2671 1.2671 1.9653 1.9653 2.1320 2.1320 3.5746 3.5746 3.5940 3.5940 3.8991 3.8991 3.9254 3.9254 8.7579 8.7579 8.8453 8.8453 9.1865 9.1865 9.3226 9.3226 k = 0.0000 0.4878-0.0000 ( 4754 PWs) bands (ev): -34.7473 -34.7473 -34.7457 -34.7457 -16.0690 -16.0690 -16.0649 -16.0649 -15.7084 -15.7084 -15.7054 -15.7054 -15.5943 -15.5943 -15.5915 -15.5915 -8.8640 -8.8640 -8.8508 -8.8508 1.2173 1.2173 1.2493 1.2493 2.0030 2.0030 2.0870 2.0870 3.5801 3.5801 3.5898 3.5898 3.9061 3.9061 3.9192 3.9192 8.7804 8.7804 8.8243 8.8243 9.2179 9.2179 9.2860 9.2860 k = 0.0000 0.5000-0.0000 ( 4756 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8571 -8.8571 -8.8571 -8.8571 1.2329 1.2329 1.2329 1.2329 2.0438 2.0438 2.0438 2.0438 3.5852 3.5852 3.5852 3.5852 3.9128 3.9128 3.9128 3.9128 8.8026 8.8026 8.8026 8.8026 9.2510 9.2510 9.2510 9.2510 k = 0.0000 0.5000-0.0000 ( 4756 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8571 -8.8571 -8.8571 -8.8571 1.2329 1.2329 1.2329 1.2329 2.0438 2.0438 2.0438 2.0438 3.5852 3.5852 3.5852 3.5852 3.9128 3.9128 3.9128 3.9128 8.8026 8.8026 8.8026 8.8026 9.2510 9.2510 9.2510 9.2510 k = 0.0122 0.5000-0.0000 ( 4746 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0677 -16.0677 -16.0664 -16.0664 -15.7091 -15.7091 -15.7048 -15.7048 -15.5945 -15.5945 -15.5915 -15.5915 -8.8569 -8.8569 -8.8569 -8.8569 1.2338 1.2338 1.2339 1.2339 2.0437 2.0437 2.0448 2.0448 3.5819 3.5819 3.5835 3.5835 3.9112 3.9112 3.9113 3.9113 8.8027 8.8027 8.8029 8.8029 9.2506 9.2506 9.2532 9.2532 k = 0.0244 0.5000-0.0000 ( 4754 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0683 -16.0683 -16.0658 -16.0658 -15.7113 -15.7113 -15.7028 -15.7028 -15.5962 -15.5962 -15.5903 -15.5903 -8.8564 -8.8564 -8.8564 -8.8564 1.2368 1.2368 1.2370 1.2370 2.0444 2.0444 2.0466 2.0466 3.5737 3.5737 3.5770 3.5770 3.9066 3.9066 3.9069 3.9069 8.8031 8.8031 8.8035 8.8035 9.2518 9.2518 9.2570 9.2570 k = 0.0366 0.5000-0.0000 ( 4750 PWs) bands (ev): -34.7464 -34.7464 -34.7464 -34.7464 -16.0689 -16.0689 -16.0651 -16.0651 -15.7135 -15.7135 -15.7008 -15.7008 -15.5982 -15.5982 -15.5893 -15.5893 -8.8555 -8.8555 -8.8555 -8.8555 1.2418 1.2418 1.2422 1.2422 2.0460 2.0460 2.0493 2.0493 3.5607 3.5607 3.5656 3.5656 3.8991 3.8991 3.8994 3.8994 8.8038 8.8038 8.8044 8.8044 9.2547 9.2547 9.2625 9.2625 k = 0.0488 0.5000-0.0000 ( 4746 PWs) bands (ev): -34.7463 -34.7463 -34.7463 -34.7463 -16.0695 -16.0695 -16.0645 -16.0645 -15.7157 -15.7157 -15.6988 -15.6988 -15.6003 -15.6003 -15.5885 -15.5885 -8.8542 -8.8542 -8.8542 -8.8542 1.2487 1.2487 1.2492 1.2492 2.0484 2.0484 2.0528 2.0528 3.5429 3.5429 3.5493 3.5493 3.8889 3.8889 3.8893 3.8893 8.8046 8.8046 8.8054 8.8054 9.2596 9.2596 9.2697 9.2697 k = 0.0610 0.5000-0.0000 ( 4738 PWs) bands (ev): -34.7463 -34.7463 -34.7463 -34.7463 -16.0700 -16.0700 -16.0638 -16.0638 -15.7180 -15.7180 -15.6969 -15.6969 -15.6025 -15.6025 -15.5878 -15.5878 -8.8526 -8.8526 -8.8526 -8.8526 1.2576 1.2576 1.2583 1.2583 2.0516 2.0516 2.0572 2.0572 3.5204 3.5204 3.5283 3.5283 3.8762 3.8762 3.8765 3.8765 8.8053 8.8053 8.8064 8.8064 9.2664 9.2664 9.2788 9.2788 k = 0.0732 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7462 -34.7462 -34.7462 -34.7462 -16.0706 -16.0706 -16.0632 -16.0632 -15.7203 -15.7203 -15.6950 -15.6950 -15.6049 -15.6049 -15.5873 -15.5873 -8.8507 -8.8507 -8.8506 -8.8506 1.2684 1.2684 1.2692 1.2692 2.0558 2.0558 2.0625 2.0625 3.4933 3.4933 3.5027 3.5027 3.8612 3.8612 3.8615 3.8615 8.8057 8.8057 8.8072 8.8072 9.2754 9.2754 9.2899 9.2899 k = 0.0854 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7460 -34.7460 -34.7460 -34.7460 -16.0711 -16.0711 -16.0626 -16.0626 -15.7226 -15.7226 -15.6932 -15.6932 -15.6075 -15.6075 -15.5869 -15.5869 -8.8484 -8.8484 -8.8484 -8.8484 1.2810 1.2810 1.2819 1.2819 2.0607 2.0607 2.0686 2.0686 3.4619 3.4619 3.4727 3.4727 3.8442 3.8442 3.8443 3.8443 8.8056 8.8056 8.8075 8.8075 9.2866 9.2866 9.3031 9.3031 k = 0.0976 0.5000-0.0000 ( 4746 PWs) bands (ev): -34.7459 -34.7459 -34.7459 -34.7459 -16.0717 -16.0717 -16.0621 -16.0621 -15.7249 -15.7249 -15.6915 -15.6915 -15.6103 -15.6103 -15.5868 -15.5868 -8.8458 -8.8458 -8.8458 -8.8458 1.2952 1.2952 1.2964 1.2964 2.0666 2.0666 2.0756 2.0756 3.4265 3.4265 3.4386 3.4386 3.8252 3.8252 3.8254 3.8254 8.8045 8.8045 8.8069 8.8069 9.3002 9.3002 9.3184 9.3184 k = 0.1098 0.5000-0.0000 ( 4742 PWs) bands (ev): -34.7457 -34.7457 -34.7457 -34.7457 -16.0722 -16.0722 -16.0615 -16.0615 -15.7272 -15.7272 -15.6898 -15.6898 -15.6131 -15.6131 -15.5867 -15.5867 -8.8429 -8.8429 -8.8429 -8.8429 1.3111 1.3111 1.3125 1.3125 2.0733 2.0733 2.0834 2.0834 3.3873 3.3873 3.4007 3.4007 3.8044 3.8044 3.8049 3.8049 8.8023 8.8023 8.8053 8.8053 9.3166 9.3166 9.3363 9.3363 k = 0.1220 0.5000-0.0000 ( 4746 PWs) bands (ev): -34.7456 -34.7456 -34.7456 -34.7456 -16.0727 -16.0727 -16.0610 -16.0610 -15.7295 -15.7295 -15.6882 -15.6882 -15.6161 -15.6161 -15.5869 -15.5869 -8.8398 -8.8398 -8.8397 -8.8397 1.3285 1.3285 1.3301 1.3301 2.0808 2.0808 2.0921 2.0921 3.3448 3.3448 3.3594 3.3594 3.7821 3.7821 3.7830 3.7830 8.7987 8.7987 8.8023 8.8023 9.3357 9.3357 9.3568 9.3568 k = 0.1341 0.5000-0.0000 ( 4734 PWs) bands (ev): -34.7454 -34.7454 -34.7454 -34.7454 -16.0732 -16.0732 -16.0605 -16.0605 -15.7317 -15.7317 -15.6866 -15.6866 -15.6192 -15.6192 -15.5871 -15.5871 -8.8363 -8.8363 -8.8362 -8.8362 1.3473 1.3473 1.3491 1.3491 2.0892 2.0892 2.1017 2.1017 3.2995 3.2995 3.3152 3.3152 3.7584 3.7584 3.7598 3.7598 8.7932 8.7932 8.7977 8.7977 9.3577 9.3577 9.3800 9.3800 k = 0.1463 0.5000-0.0000 ( 4736 PWs) bands (ev): -34.7452 -34.7452 -34.7452 -34.7452 -16.0737 -16.0737 -16.0601 -16.0601 -15.7339 -15.7339 -15.6851 -15.6851 -15.6224 -15.6224 -15.5875 -15.5875 -8.8326 -8.8326 -8.8325 -8.8325 1.3673 1.3673 1.3694 1.3694 2.0985 2.0985 2.1122 2.1122 3.2517 3.2517 3.2686 3.2686 3.7334 3.7334 3.7353 3.7353 8.7857 8.7857 8.7910 8.7910 9.3828 9.3828 9.4061 9.4061 k = 0.1585 0.5000-0.0000 ( 4740 PWs) bands (ev): -34.7450 -34.7450 -34.7450 -34.7450 -16.0742 -16.0742 -16.0598 -16.0598 -15.7360 -15.7360 -15.6836 -15.6836 -15.6257 -15.6257 -15.5880 -15.5880 -8.8287 -8.8287 -8.8286 -8.8286 1.3883 1.3883 1.3908 1.3908 2.1087 2.1087 2.1236 2.1236 3.2019 3.2019 3.2199 3.2199 3.7072 3.7072 3.7096 3.7096 8.7759 8.7759 8.7820 8.7820 9.4111 9.4111 9.4353 9.4353 k = 0.1707 0.5000-0.0000 ( 4736 PWs) bands (ev): -34.7448 -34.7448 -34.7448 -34.7448 -16.0747 -16.0747 -16.0595 -16.0595 -15.7381 -15.7381 -15.6823 -15.6823 -15.6289 -15.6289 -15.5887 -15.5887 -8.8245 -8.8245 -8.8244 -8.8244 1.4102 1.4102 1.4131 1.4131 2.1198 2.1198 2.1358 2.1358 3.1507 3.1507 3.1699 3.1699 3.6799 3.6799 3.6830 3.6830 8.7637 8.7637 8.7706 8.7706 9.4426 9.4427 9.4675 9.4675 k = 0.1829 0.5000-0.0000 ( 4740 PWs) bands (ev): -34.7446 -34.7446 -34.7446 -34.7446 -16.0752 -16.0752 -16.0593 -16.0593 -15.7401 -15.7401 -15.6810 -15.6810 -15.6323 -15.6323 -15.5894 -15.5894 -8.8202 -8.8202 -8.8201 -8.8201 1.4328 1.4328 1.4361 1.4361 2.1318 2.1318 2.1489 2.1489 3.0986 3.0986 3.1189 3.1189 3.6516 3.6516 3.6553 3.6553 8.7488 8.7488 8.7566 8.7566 9.4774 9.4774 9.5028 9.5028 k = 0.1951 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7443 -34.7443 -34.7443 -34.7443 -16.0756 -16.0756 -16.0592 -16.0592 -15.7419 -15.7419 -15.6798 -15.6798 -15.6355 -15.6355 -15.5903 -15.5903 -8.8157 -8.8157 -8.8156 -8.8156 1.4559 1.4559 1.4597 1.4597 2.1448 2.1448 2.1629 2.1629 3.0461 3.0461 3.0675 3.0675 3.6225 3.6225 3.6268 3.6268 8.7313 8.7313 8.7398 8.7398 9.5154 9.5154 9.5414 9.5414 k = 0.2073 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7441 -34.7441 -34.7441 -34.7441 -16.0761 -16.0761 -16.0592 -16.0592 -15.7437 -15.7437 -15.6788 -15.6788 -15.6388 -15.6388 -15.5912 -15.5912 -8.8111 -8.8111 -8.8109 -8.8109 1.4792 1.4792 1.4836 1.4836 2.1586 2.1586 2.1778 2.1778 2.9936 2.9936 3.0161 3.0161 3.5925 3.5925 3.5974 3.5974 8.7110 8.7110 8.7203 8.7203 9.5567 9.5567 9.5831 9.5831 k = 0.2195 0.5000-0.0000 ( 4736 PWs) bands (ev): -34.7438 -34.7438 -34.7438 -34.7438 -16.0765 -16.0765 -16.0592 -16.0592 -15.7453 -15.7453 -15.6780 -15.6780 -15.6419 -15.6419 -15.5923 -15.5923 -8.8063 -8.8063 -8.8062 -8.8062 1.5024 1.5024 1.5075 1.5075 2.1734 2.1734 2.1934 2.1934 2.9417 2.9417 2.9652 2.9652 3.5617 3.5617 3.5673 3.5673 8.6881 8.6881 8.6980 8.6980 9.6010 9.6010 9.6278 9.6278 k = 0.2317 0.5000-0.0000 ( 4740 PWs) bands (ev): -34.7436 -34.7436 -34.7436 -34.7436 -16.0770 -16.0770 -16.0594 -16.0594 -15.7468 -15.7468 -15.6774 -15.6774 -15.6448 -15.6448 -15.5934 -15.5934 -8.8015 -8.8015 -8.8014 -8.8014 1.5254 1.5254 1.5313 1.5313 2.1891 2.1891 2.2099 2.2099 2.8908 2.8908 2.9153 2.9153 3.5304 3.5304 3.5366 3.5366 8.6627 8.6627 8.6731 8.6731 9.6483 9.6483 9.6754 9.6754 k = 0.2439 0.5000-0.0000 ( 4748 PWs) bands (ev): -34.7434 -34.7434 -34.7434 -34.7434 -16.0775 -16.0775 -16.0597 -16.0597 -15.7481 -15.7481 -15.6771 -15.6771 -15.6474 -15.6474 -15.5946 -15.5946 -8.7966 -8.7966 -8.7965 -8.7965 1.5478 1.5478 1.5545 1.5545 2.2058 2.2058 2.2272 2.2272 2.8415 2.8415 2.8669 2.8669 3.4984 3.4984 3.5053 3.5053 8.6348 8.6348 8.6456 8.6456 9.6985 9.6985 9.7260 9.7260 k = 0.2561 0.5000-0.0000 ( 4748 PWs) bands (ev): -34.7431 -34.7431 -34.7431 -34.7431 -16.0779 -16.0779 -16.0600 -16.0600 -15.7493 -15.7493 -15.6773 -15.6773 -15.6496 -15.6496 -15.5959 -15.5959 -8.7917 -8.7917 -8.7916 -8.7916 1.5693 1.5693 1.5770 1.5770 2.2233 2.2233 2.2451 2.2451 2.7943 2.7943 2.8203 2.8203 3.4660 3.4660 3.4736 3.4736 8.6047 8.6047 8.6159 8.6159 9.7515 9.7515 9.7793 9.7793 k = 0.2683 0.5000-0.0000 ( 4744 PWs) bands (ev): -34.7429 -34.7429 -34.7429 -34.7429 -16.0783 -16.0783 -16.0605 -16.0605 -15.7502 -15.7502 -15.6780 -15.6780 -15.6512 -15.6512 -15.5972 -15.5972 -8.7867 -8.7867 -8.7866 -8.7866 1.5896 1.5896 1.5984 1.5984 2.2417 2.2417 2.2635 2.2635 2.7497 2.7497 2.7761 2.7761 3.4331 3.4331 3.4415 3.4415 8.5726 8.5726 8.5840 8.5840 9.8070 9.8070 9.8353 9.8353 k = 0.2805 0.5000-0.0000 ( 4736 PWs) bands (ev): -34.7426 -34.7426 -34.7426 -34.7426 -16.0787 -16.0787 -16.0610 -16.0610 -15.7510 -15.7510 -15.6792 -15.6792 -15.6523 -15.6523 -15.5986 -15.5986 -8.7819 -8.7819 -8.7817 -8.7817 1.6085 1.6085 1.6185 1.6185 2.2610 2.2610 2.2823 2.2823 2.7082 2.7082 2.7347 2.7347 3.4000 3.4000 3.4090 3.4090 8.5389 8.5389 8.5503 8.5503 9.8650 9.8650 9.8936 9.8936 k = 0.2927 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7424 -34.7424 -34.7424 -34.7424 -16.0791 -16.0791 -16.0616 -16.0616 -15.7516 -15.7516 -15.6811 -15.6811 -15.6528 -15.6528 -15.6001 -15.6001 -8.7770 -8.7770 -8.7769 -8.7769 1.6256 1.6256 1.6369 1.6369 2.2808 2.2808 2.3012 2.3012 2.6706 2.6706 2.6965 2.6965 3.3666 3.3666 3.3764 3.3764 8.5038 8.5038 8.5152 8.5152 9.9251 9.9251 9.9541 9.9541 k = 0.3049 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7421 -34.7421 -34.7421 -34.7421 -16.0794 -16.0794 -16.0623 -16.0623 -15.7519 -15.7519 -15.6834 -15.6834 -15.6527 -15.6527 -15.6016 -15.6016 -8.7723 -8.7723 -8.7722 -8.7722 1.6409 1.6409 1.6533 1.6533 2.3012 2.3012 2.3197 2.3197 2.6374 2.6374 2.6619 2.6619 3.3331 3.3331 3.3436 3.3436 8.4676 8.4676 8.4788 8.4788 9.9872 9.9872 10.0165 10.0165 k = 0.3171 0.5000-0.0000 ( 4732 PWs) bands (ev): -34.7419 -34.7419 -34.7419 -34.7419 -16.0797 -16.0797 -16.0631 -16.0631 -15.7521 -15.7521 -15.6860 -15.6860 -15.6523 -15.6523 -15.6032 -15.6032 -8.7676 -8.7676 -8.7675 -8.7675 1.6539 1.6539 1.6675 1.6675 2.3218 2.3218 2.3373 2.3373 2.6096 2.6096 2.6313 2.6313 3.2995 3.2995 3.3108 3.3108 8.4309 8.4309 8.4418 8.4418 10.0509 10.0509 10.0805 10.0805 k = 0.3293 0.5000-0.0000 ( 4754 PWs) bands (ev): -34.7417 -34.7417 -34.7417 -34.7417 -16.0801 -16.0801 -16.0641 -16.0641 -15.7521 -15.7521 -15.6890 -15.6890 -15.6516 -15.6516 -15.6048 -15.6048 -8.7632 -8.7632 -8.7630 -8.7630 1.6647 1.6647 1.6793 1.6793 2.3421 2.3421 2.3531 2.3531 2.5880 2.5880 2.6054 2.6054 3.2658 3.2658 3.2780 3.2780 8.3938 8.3938 8.4045 8.4045 10.1158 10.1158 10.1458 10.1458 k = 0.3415 0.5000-0.0000 ( 4754 PWs) bands (ev): -34.7414 -34.7414 -34.7414 -34.7414 -16.0803 -16.0803 -16.0650 -16.0650 -15.7519 -15.7519 -15.6920 -15.6920 -15.6506 -15.6506 -15.6065 -15.6065 -8.7588 -8.7588 -8.7587 -8.7587 1.6732 1.6732 1.6886 1.6886 2.3616 2.3616 2.3663 2.3663 2.5738 2.5738 2.5847 2.5847 3.2323 3.2323 3.2453 3.2453 8.3571 8.3571 8.3673 8.3673 10.1816 10.1816 10.2119 10.2119 k = 0.3537 0.5000-0.0000 ( 4758 PWs) bands (ev): -34.7412 -34.7412 -34.7412 -34.7412 -16.0806 -16.0806 -16.0660 -16.0660 -15.7514 -15.7514 -15.6952 -15.6952 -15.6495 -15.6495 -15.6082 -15.6082 -8.7547 -8.7547 -8.7546 -8.7546 1.6794 1.6794 1.6953 1.6953 2.3759 2.3759 2.3793 2.3793 2.5678 2.5678 2.5700 2.5700 3.1990 3.1990 3.2129 3.2129 8.3209 8.3209 8.3306 8.3306 10.2478 10.2478 10.2784 10.2784 k = 0.3659 0.5000-0.0000 ( 4762 PWs) bands (ev): -34.7411 -34.7411 -34.7411 -34.7411 -16.0807 -16.0807 -16.0670 -16.0670 -15.7508 -15.7508 -15.6985 -15.6985 -15.6482 -15.6482 -15.6099 -15.6099 -8.7508 -8.7508 -8.7507 -8.7507 1.6835 1.6835 1.6996 1.6996 2.3817 2.3817 2.3940 2.3940 2.5622 2.5622 2.5698 2.5698 3.1659 3.1659 3.1807 3.1807 8.2858 8.2858 8.2949 8.2949 10.3140 10.3140 10.3447 10.3447 k = 0.3780 0.5000-0.0000 ( 4762 PWs) bands (ev): -34.7409 -34.7409 -34.7409 -34.7409 -16.0808 -16.0808 -16.0681 -16.0681 -15.7500 -15.7500 -15.7018 -15.7018 -15.6468 -15.6468 -15.6116 -15.6116 -8.7472 -8.7472 -8.7471 -8.7471 1.6857 1.6857 1.7016 1.7016 2.3845 2.3845 2.4048 2.4048 2.5622 2.5622 2.5790 2.5790 3.1331 3.1331 3.1488 3.1488 8.2521 8.2521 8.2606 8.2606 10.3792 10.3792 10.4100 10.4100 k = 0.3902 0.5000-0.0000 ( 4766 PWs) bands (ev): -34.7407 -34.7407 -34.7407 -34.7407 -16.0809 -16.0809 -16.0692 -16.0692 -15.7489 -15.7489 -15.7050 -15.7050 -15.6453 -15.6453 -15.6134 -15.6134 -8.7438 -8.7438 -8.7437 -8.7437 1.6862 1.6862 1.7016 1.7016 2.3855 2.3855 2.4112 2.4112 2.5697 2.5697 2.5937 2.5937 3.1008 3.1008 3.1174 3.1174 8.2203 8.2203 8.2281 8.2281 10.4429 10.4429 10.4734 10.4734 k = 0.4024 0.5000-0.0000 ( 4762 PWs) bands (ev): -34.7406 -34.7406 -34.7406 -34.7406 -16.0808 -16.0808 -16.0703 -16.0703 -15.7477 -15.7477 -15.7083 -15.7083 -15.6438 -15.6438 -15.6152 -15.6152 -8.7407 -8.7407 -8.7407 -8.7407 1.6855 1.6855 1.7000 1.7000 2.3858 2.3858 2.4140 2.4140 2.5836 2.5836 2.6121 2.6121 3.0690 3.0690 3.0866 3.0866 8.1907 8.1907 8.1978 8.1978 10.5040 10.5040 10.5340 10.5340 k = 0.4146 0.5000-0.0000 ( 4758 PWs) bands (ev): -34.7404 -34.7404 -34.7404 -34.7404 -16.0807 -16.0807 -16.0714 -16.0714 -15.7462 -15.7462 -15.7115 -15.7115 -15.6422 -15.6422 -15.6170 -15.6170 -8.7380 -8.7380 -8.7379 -8.7379 1.6838 1.6838 1.6971 1.6971 2.3864 2.3864 2.4144 2.4144 2.6021 2.6021 2.6329 2.6329 3.0379 3.0379 3.0563 3.0563 8.1638 8.1638 8.1701 8.1701 10.5614 10.5614 10.5903 10.5903 k = 0.4268 0.5000-0.0000 ( 4768 PWs) bands (ev): -34.7403 -34.7403 -34.7403 -34.7403 -16.0806 -16.0806 -16.0724 -16.0724 -15.7447 -15.7447 -15.7146 -15.7146 -15.6405 -15.6405 -15.6189 -15.6189 -8.7355 -8.7355 -8.7355 -8.7355 1.6817 1.6817 1.6935 1.6935 2.3874 2.3874 2.4136 2.4136 2.6235 2.6235 2.6549 2.6549 3.0076 3.0076 3.0268 3.0268 8.1398 8.1398 8.1452 8.1452 10.6139 10.6139 10.6411 10.6411 k = 0.4390 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7402 -34.7402 -34.7402 -34.7402 -16.0803 -16.0803 -16.0735 -16.0735 -15.7429 -15.7429 -15.7177 -15.7177 -15.6389 -15.6389 -15.6207 -15.6207 -8.7334 -8.7334 -8.7334 -8.7334 1.6794 1.6794 1.6895 1.6895 2.3890 2.3890 2.4122 2.4122 2.6465 2.6465 2.6774 2.6774 2.9785 2.9785 2.9982 2.9982 8.1190 8.1190 8.1236 8.1236 10.6605 10.6605 10.6851 10.6851 k = 0.4512 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7401 -34.7401 -34.7401 -34.7401 -16.0800 -16.0800 -16.0745 -16.0745 -15.7410 -15.7410 -15.7207 -15.7207 -15.6371 -15.6371 -15.6226 -15.6226 -8.7317 -8.7317 -8.7317 -8.7317 1.6772 1.6772 1.6855 1.6855 2.3912 2.3912 2.4105 2.4105 2.6702 2.6702 2.6994 2.6994 2.9512 2.9512 2.9709 2.9709 8.1018 8.1018 8.1055 8.1055 10.7001 10.7001 10.7212 10.7212 k = 0.4634 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0796 -16.0796 -16.0754 -16.0754 -15.7389 -15.7389 -15.7236 -15.7236 -15.6354 -15.6354 -15.6244 -15.6244 -8.7303 -8.7303 -8.7303 -8.7303 1.6754 1.6754 1.6817 1.6817 2.3937 2.3937 2.4086 2.4086 2.6936 2.6936 2.7197 2.7197 2.9267 2.9267 2.9453 2.9453 8.0882 8.0882 8.0910 8.0910 10.7319 10.7319 10.7486 10.7486 k = 0.4756 0.5000-0.0000 ( 4772 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0791 -16.0791 -16.0763 -16.0763 -15.7366 -15.7366 -15.7265 -15.7265 -15.6336 -15.6336 -15.6262 -15.6262 -8.7294 -8.7294 -8.7293 -8.7293 1.6743 1.6743 1.6786 1.6786 2.3964 2.3964 2.4065 2.4065 2.7154 2.7154 2.7362 2.7362 2.9068 2.9068 2.9225 2.9225 8.0786 8.0786 8.0804 8.0804 10.7556 10.7556 10.7671 10.7671 k = 0.4878 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0785 -16.0785 -16.0771 -16.0771 -15.7343 -15.7343 -15.7292 -15.7292 -15.6318 -15.6318 -15.6281 -15.6281 -8.7288 -8.7288 -8.7288 -8.7288 1.6740 1.6740 1.6762 1.6762 2.3991 2.3991 2.4042 2.4042 2.7335 2.7335 2.7457 2.7457 2.8948 2.8948 2.9044 2.9044 8.0729 8.0729 8.0738 8.0738 10.7710 10.7710 10.7769 10.7769 k = 0.5000 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7286 -8.7286 -8.7286 -8.7286 1.6747 1.6747 1.6747 1.6747 2.4017 2.4017 2.4017 2.4017 2.7448 2.7448 2.7448 2.7448 2.8940 2.8940 2.8940 2.8940 8.0713 8.0713 8.0713 8.0713 10.7781 10.7781 10.7781 10.7781 k = 0.5000 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7286 -8.7286 -8.7286 -8.7286 1.6747 1.6747 1.6747 1.6747 2.4017 2.4017 2.4017 2.4017 2.7448 2.7448 2.7448 2.7448 2.8940 2.8940 2.8940 2.8940 8.0713 8.0713 8.0713 8.0713 10.7781 10.7781 10.7781 10.7781 k = 0.4914 0.4914-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0785 -16.0785 -16.0771 -16.0771 -15.7343 -15.7343 -15.7292 -15.7292 -15.6318 -15.6318 -15.6281 -15.6281 -8.7289 -8.7289 -8.7286 -8.7286 1.6740 1.6740 1.6762 1.6762 2.3990 2.3990 2.4042 2.4042 2.7315 2.7315 2.7481 2.7481 2.8927 2.8927 2.9061 2.9061 8.0728 8.0728 8.0740 8.0740 10.7697 10.7697 10.7783 10.7783 k = 0.4828 0.4828-0.0000 ( 4780 PWs) bands (ev): -34.7401 -34.7401 -34.7399 -34.7399 -16.0791 -16.0791 -16.0763 -16.0763 -15.7367 -15.7367 -15.7265 -15.7265 -15.6336 -15.6336 -15.6263 -15.6263 -8.7299 -8.7299 -8.7288 -8.7288 1.6742 1.6742 1.6788 1.6788 2.3959 2.3959 2.4068 2.4068 2.7051 2.7051 2.7500 2.7500 2.8952 2.8952 2.9306 2.9306 8.0777 8.0777 8.0813 8.0813 10.7481 10.7481 10.7755 10.7755 k = 0.4741 0.4741-0.0000 ( 4772 PWs) bands (ev): -34.7402 -34.7402 -34.7399 -34.7399 -16.0796 -16.0796 -16.0754 -16.0754 -15.7389 -15.7389 -15.7236 -15.7236 -15.6354 -15.6354 -15.6244 -15.6244 -8.7316 -8.7316 -8.7291 -8.7291 1.6752 1.6752 1.6824 1.6824 2.3920 2.3920 2.4095 2.4095 2.6716 2.6716 2.7525 2.7525 2.8998 2.8998 2.9617 2.9617 8.0858 8.0858 8.0934 8.0934 10.7141 10.7141 10.7707 10.7707 k = 0.4655 0.4655-0.0000 ( 4772 PWs) bands (ev): -34.7403 -34.7403 -34.7399 -34.7399 -16.0801 -16.0801 -16.0744 -16.0744 -15.7410 -15.7410 -15.7207 -15.7207 -15.6371 -15.6371 -15.6225 -15.6225 -8.7339 -8.7339 -8.7295 -8.7295 1.6768 1.6768 1.6871 1.6871 2.3872 2.3872 2.4123 2.4123 2.6349 2.6349 2.7558 2.7558 2.9062 2.9062 2.9956 2.9956 8.0971 8.0971 8.1100 8.1100 10.6696 10.6696 10.7639 10.7639 k = 0.4569 0.4569-0.0000 ( 4762 PWs) bands (ev): -34.7406 -34.7406 -34.7398 -34.7398 -16.0804 -16.0804 -16.0733 -16.0733 -15.7429 -15.7429 -15.7177 -15.7177 -15.6389 -15.6389 -15.6206 -15.6206 -8.7368 -8.7368 -8.7301 -8.7301 1.6790 1.6790 1.6930 1.6930 2.3811 2.3811 2.4144 2.4144 2.5980 2.5980 2.7601 2.7601 2.9144 2.9144 3.0308 3.0308 8.1114 8.1114 8.1312 8.1312 10.6165 10.6165 10.7555 10.7555 k = 0.4483 0.4483-0.0000 ( 4754 PWs) bands (ev): -34.7408 -34.7408 -34.7398 -34.7398 -16.0807 -16.0807 -16.0721 -16.0721 -15.7446 -15.7446 -15.7146 -15.7146 -15.6406 -15.6406 -15.6188 -15.6188 -8.7404 -8.7404 -8.7308 -8.7308 1.6817 1.6817 1.7001 1.7001 2.3732 2.3732 2.4148 2.4148 2.5635 2.5635 2.7654 2.7654 2.9242 2.9242 3.0664 3.0664 8.1284 8.1284 8.1564 8.1564 10.5567 10.5567 10.7454 10.7454 k = 0.4397 0.4397-0.0000 ( 4764 PWs) bands (ev): -34.7411 -34.7411 -34.7397 -34.7397 -16.0810 -16.0810 -16.0709 -16.0709 -15.7463 -15.7463 -15.7115 -15.7115 -15.6423 -15.6423 -15.6169 -15.6169 -8.7447 -8.7447 -8.7316 -8.7316 1.6847 1.6847 1.7082 1.7082 2.3622 2.3622 2.4113 2.4113 2.5354 2.5354 2.7716 2.7716 2.9356 2.9356 3.1022 3.1022 8.1479 8.1479 8.1856 8.1856 10.4916 10.4916 10.7340 10.7340 k = 0.4310 0.4310-0.0000 ( 4772 PWs) bands (ev): -34.7415 -34.7415 -34.7396 -34.7396 -16.0812 -16.0812 -16.0696 -16.0696 -15.7477 -15.7477 -15.7083 -15.7083 -15.6440 -15.6440 -15.6151 -15.6151 -8.7496 -8.7496 -8.7326 -8.7326 1.6879 1.6879 1.7175 1.7175 2.3457 2.3457 2.4026 2.4026 2.5180 2.5180 2.7788 2.7788 2.9484 2.9484 3.1380 3.1380 8.1697 8.1697 8.2182 8.2182 10.4225 10.4225 10.7213 10.7213 k = 0.4224 0.4224-0.0000 ( 4768 PWs) bands (ev): -34.7419 -34.7419 -34.7395 -34.7395 -16.0814 -16.0814 -16.0682 -16.0682 -15.7490 -15.7490 -15.7050 -15.7050 -15.6456 -15.6456 -15.6132 -15.6132 -8.7551 -8.7551 -8.7337 -8.7337 1.6912 1.6912 1.7278 1.7278 2.3209 2.3209 2.3911 2.3911 2.5126 2.5126 2.7870 2.7870 2.9626 2.9626 3.1739 3.1739 8.1937 8.1937 8.2538 8.2538 10.3503 10.3503 10.7077 10.7077 k = 0.4138 0.4138-0.0000 ( 4762 PWs) bands (ev): -34.7423 -34.7423 -34.7394 -34.7394 -16.0814 -16.0814 -16.0667 -16.0667 -15.7501 -15.7501 -15.7017 -15.7017 -15.6472 -15.6472 -15.6114 -15.6114 -8.7612 -8.7612 -8.7349 -8.7349 1.6941 1.6941 1.7391 1.7391 2.2877 2.2877 2.3806 2.3806 2.5158 2.5158 2.7961 2.7961 2.9781 2.9781 3.2096 3.2096 8.2195 8.2195 8.2919 8.2919 10.2760 10.2760 10.6932 10.6932 k = 0.4052 0.4052-0.0000 ( 4762 PWs) bands (ev): -34.7428 -34.7428 -34.7393 -34.7393 -16.0815 -16.0815 -16.0651 -16.0651 -15.7510 -15.7510 -15.6984 -15.6984 -15.6487 -15.6487 -15.6095 -15.6095 -8.7679 -8.7679 -8.7363 -8.7363 1.6964 1.6964 1.7514 1.7514 2.2493 2.2493 2.3719 2.3719 2.5244 2.5244 2.8062 2.8062 2.9948 2.9948 3.2453 3.2453 8.2468 8.2468 8.3321 8.3321 10.2004 10.2004 10.6780 10.6781 k = 0.3966 0.3966-0.0000 ( 4766 PWs) bands (ev): -34.7434 -34.7434 -34.7392 -34.7392 -16.0815 -16.0815 -16.0634 -16.0634 -15.7517 -15.7517 -15.6951 -15.6951 -15.6502 -15.6502 -15.6077 -15.6077 -8.7752 -8.7752 -8.7379 -8.7379 1.6972 1.6972 1.7645 1.7645 2.2090 2.2090 2.3647 2.3647 2.5365 2.5365 2.8173 2.8173 3.0125 3.0125 3.2810 3.2810 8.2756 8.2756 8.3736 8.3736 10.1238 10.1238 10.6607 10.6613 k = 0.3879 0.3879-0.0000 ( 4768 PWs) bands (ev): -34.7439 -34.7439 -34.7391 -34.7391 -16.0815 -16.0815 -16.0617 -16.0617 -15.7523 -15.7523 -15.6918 -15.6918 -15.6515 -15.6515 -15.6059 -15.6059 -8.7831 -8.7831 -8.7397 -8.7397 1.6958 1.6958 1.7785 1.7785 2.1694 2.1694 2.3587 2.3587 2.5511 2.5511 2.8293 2.8293 3.0313 3.0313 3.3165 3.3165 8.3055 8.3055 8.4158 8.4158 10.0470 10.0470 10.6236 10.6239 k = 0.3793 0.3793-0.0000 ( 4768 PWs) bands (ev): -34.7445 -34.7445 -34.7390 -34.7390 -16.0815 -16.0815 -16.0598 -16.0598 -15.7526 -15.7526 -15.6885 -15.6885 -15.6528 -15.6528 -15.6041 -15.6041 -8.7915 -8.7915 -8.7416 -8.7416 1.6909 1.6909 1.7931 1.7931 2.1325 2.1325 2.3536 2.3536 2.5678 2.5678 2.8422 2.8422 3.0509 3.0509 3.3520 3.3520 8.3365 8.3365 8.4580 8.4580 9.9704 9.9704 10.5757 10.5757 k = 0.3707 0.3707-0.0000 ( 4770 PWs) bands (ev): -34.7452 -34.7452 -34.7388 -34.7388 -16.0814 -16.0814 -16.0579 -16.0579 -15.7528 -15.7528 -15.6854 -15.6854 -15.6539 -15.6539 -15.6023 -15.6023 -8.8004 -8.8004 -8.7437 -8.7437 1.6810 1.6810 1.8085 1.8085 2.1006 2.1006 2.3495 2.3495 2.5861 2.5861 2.8560 2.8560 3.0714 3.0714 3.3873 3.3873 8.3683 8.3683 8.4994 8.4994 9.8944 9.8944 10.5272 10.5272 k = 0.3621 0.3621-0.0000 ( 4764 PWs) bands (ev): -34.7458 -34.7458 -34.7387 -34.7387 -16.0814 -16.0814 -16.0558 -16.0558 -15.7527 -15.7527 -15.6823 -15.6823 -15.6548 -15.6548 -15.6006 -15.6006 -8.8099 -8.8099 -8.7460 -8.7460 1.6647 1.6647 1.8246 1.8246 2.0755 2.0755 2.3464 2.3464 2.6060 2.6060 2.8707 2.8707 3.0925 3.0925 3.4224 3.4224 8.4009 8.4009 8.5394 8.5394 9.8195 9.8195 10.4787 10.4787 k = 0.3534 0.3534-0.0000 ( 4756 PWs) bands (ev): -34.7465 -34.7465 -34.7385 -34.7385 -16.0813 -16.0813 -16.0536 -16.0536 -15.7525 -15.7525 -15.6795 -15.6795 -15.6554 -15.6554 -15.5988 -15.5988 -8.8198 -8.8198 -8.7485 -8.7485 1.6409 1.6409 1.8413 1.8413 2.0585 2.0585 2.3444 2.3444 2.6274 2.6274 2.8864 2.8864 3.1143 3.1143 3.4573 3.4573 8.4343 8.4343 8.5771 8.5771 9.7459 9.7459 10.4301 10.4301 k = 0.3448 0.3448-0.0000 ( 4766 PWs) bands (ev): -34.7473 -34.7473 -34.7384 -34.7384 -16.0812 -16.0812 -16.0514 -16.0514 -15.7521 -15.7521 -15.6770 -15.6770 -15.6557 -15.6557 -15.5971 -15.5971 -8.8302 -8.8302 -8.7512 -8.7512 1.6095 1.6095 1.8587 1.8587 2.0499 2.0499 2.3434 2.3434 2.6500 2.6500 2.9028 2.9028 3.1365 3.1365 3.4919 3.4919 8.4682 8.4682 8.6118 8.6118 9.6741 9.6741 10.3815 10.3816 k = 0.3362 0.3362-0.0000 ( 4758 PWs) bands (ev): -34.7480 -34.7480 -34.7382 -34.7382 -16.0811 -16.0811 -16.0491 -16.0491 -15.7515 -15.7515 -15.6750 -15.6750 -15.6554 -15.6554 -15.5955 -15.5955 -8.8410 -8.8410 -8.7541 -8.7541 1.5711 1.5711 1.8769 1.8769 2.0491 2.0491 2.3438 2.3438 2.6740 2.6740 2.9200 2.9200 3.1592 3.1592 3.5262 3.5262 8.5028 8.5028 8.6430 8.6430 9.6043 9.6043 10.3330 10.3330 k = 0.3276 0.3276-0.0000 ( 4756 PWs) bands (ev): -34.7488 -34.7488 -34.7381 -34.7381 -16.0810 -16.0810 -16.0467 -16.0467 -15.7507 -15.7507 -15.6736 -15.6736 -15.6544 -15.6544 -15.5938 -15.5938 -8.8523 -8.8523 -8.7571 -8.7571 1.5271 1.5271 1.8961 1.8961 2.0548 2.0548 2.3454 2.3454 2.6992 2.6992 2.9379 2.9379 3.1821 3.1821 3.5600 3.5600 8.5380 8.5380 8.6701 8.6701 9.5368 9.5368 10.2845 10.2845 k = 0.3190 0.3190-0.0000 ( 4752 PWs) bands (ev): -34.7496 -34.7496 -34.7379 -34.7379 -16.0809 -16.0809 -16.0441 -16.0441 -15.7498 -15.7498 -15.6728 -15.6728 -15.6527 -15.6527 -15.5922 -15.5922 -8.8639 -8.8639 -8.7604 -8.7604 1.4789 1.4789 1.9162 1.9162 2.0657 2.0657 2.3484 2.3484 2.7255 2.7255 2.9566 2.9566 3.2052 3.2052 3.5933 3.5933 8.5739 8.5739 8.6928 8.6928 9.4718 9.4718 10.2359 10.2359 k = 0.3103 0.3103-0.0000 ( 4750 PWs) bands (ev): -34.7505 -34.7505 -34.7377 -34.7377 -16.0808 -16.0808 -16.0415 -16.0415 -15.7488 -15.7488 -15.6726 -15.6726 -15.6505 -15.6505 -15.5906 -15.5906 -8.8759 -8.8759 -8.7638 -8.7638 1.4275 1.4275 1.9373 1.9373 2.0807 2.0807 2.3528 2.3528 2.7529 2.7529 2.9759 2.9759 3.2284 3.2284 3.6260 3.6260 8.6106 8.6106 8.7107 8.7107 9.4097 9.4097 10.1874 10.1874 k = 0.3017 0.3017-0.0000 ( 4750 PWs) bands (ev): -34.7513 -34.7513 -34.7375 -34.7375 -16.0808 -16.0808 -16.0389 -16.0389 -15.7476 -15.7476 -15.6727 -15.6727 -15.6477 -15.6477 -15.5891 -15.5891 -8.8882 -8.8882 -8.7675 -8.7675 1.3741 1.3741 1.9596 1.9596 2.0988 2.0988 2.3588 2.3588 2.7813 2.7813 2.9959 2.9959 3.2515 3.2515 3.6579 3.6579 8.6479 8.6479 8.7239 8.7239 9.3506 9.3506 10.1390 10.1390 k = 0.2931 0.2931-0.0000 ( 4742 PWs) bands (ev): -34.7522 -34.7522 -34.7374 -34.7374 -16.0807 -16.0807 -16.0361 -16.0361 -15.7463 -15.7463 -15.6731 -15.6731 -15.6448 -15.6448 -15.5876 -15.5876 -8.9008 -8.9008 -8.7713 -8.7713 1.3192 1.3192 1.9830 1.9830 2.1193 2.1193 2.3664 2.3664 2.8107 2.8107 3.0163 3.0163 3.2744 3.2744 3.6890 3.6890 8.6861 8.6861 8.7326 8.7326 9.2947 9.2947 10.0906 10.0906 k = 0.2845 0.2845-0.0000 ( 4730 PWs) bands (ev): -34.7531 -34.7531 -34.7372 -34.7372 -16.0806 -16.0806 -16.0332 -16.0332 -15.7448 -15.7448 -15.6735 -15.6735 -15.6416 -15.6416 -15.5861 -15.5861 -8.9137 -8.9137 -8.7753 -8.7753 1.2636 1.2636 2.0075 2.0075 2.1417 2.1417 2.3758 2.3758 2.8410 2.8410 3.0373 3.0373 3.2970 3.2970 3.7193 3.7193 8.7251 8.7251 8.7370 8.7370 9.2423 9.2423 10.0425 10.0425 k = 0.2759 0.2759-0.0000 ( 4728 PWs) bands (ev): -34.7540 -34.7540 -34.7370 -34.7370 -16.0806 -16.0806 -16.0303 -16.0303 -15.7433 -15.7433 -15.6740 -15.6740 -15.6383 -15.6383 -15.5847 -15.5847 -8.9268 -8.9268 -8.7795 -8.7795 1.2075 1.2075 2.0333 2.0333 2.1656 2.1656 2.3868 2.3868 2.8722 2.8722 3.0586 3.0586 3.3192 3.3192 3.7484 3.7484 8.7373 8.7373 8.7649 8.7649 9.1933 9.1933 9.9946 9.9946 k = 0.2672 0.2672-0.0000 ( 4726 PWs) bands (ev): -34.7549 -34.7549 -34.7368 -34.7368 -16.0806 -16.0806 -16.0274 -16.0274 -15.7417 -15.7417 -15.6746 -15.6746 -15.6350 -15.6350 -15.5833 -15.5833 -8.9401 -8.9401 -8.7838 -8.7838 1.1514 1.1514 2.0601 2.0601 2.1905 2.1905 2.3997 2.3997 2.9040 2.9040 3.0802 3.0802 3.3409 3.3409 3.7764 3.7764 8.7342 8.7342 8.8054 8.8054 9.1481 9.1481 9.9471 9.9472 k = 0.2586 0.2586-0.0000 ( 4724 PWs) bands (ev): -34.7558 -34.7558 -34.7366 -34.7366 -16.0806 -16.0806 -16.0243 -16.0243 -15.7401 -15.7401 -15.6750 -15.6750 -15.6316 -15.6316 -15.5820 -15.5820 -8.9536 -8.9536 -8.7883 -8.7883 1.0956 1.0956 2.0881 2.0881 2.2163 2.2163 2.4144 2.4144 2.9366 2.9366 3.1020 3.1020 3.3620 3.3620 3.8032 3.8032 8.7282 8.7282 8.8468 8.8468 9.1066 9.1066 9.8997 9.8999 k = 0.2500 0.2500-0.0000 ( 4724 PWs) bands (ev): -34.7567 -34.7567 -34.7364 -34.7364 -16.0806 -16.0806 -16.0212 -16.0212 -15.7385 -15.7385 -15.6754 -15.6754 -15.6283 -15.6283 -15.5806 -15.5806 -8.9672 -8.9672 -8.7929 -8.7929 1.0403 1.0403 2.1172 2.1172 2.2427 2.2427 2.4311 2.4311 2.9697 2.9697 3.1239 3.1239 3.3823 3.3823 3.8286 3.8286 8.7198 8.7198 8.8891 8.8891 9.0691 9.0691 9.8454 9.8491 k = 0.2414 0.2414-0.0000 ( 4716 PWs) bands (ev): -34.7576 -34.7576 -34.7362 -34.7362 -16.0806 -16.0806 -16.0181 -16.0181 -15.7368 -15.7368 -15.6756 -15.6756 -15.6250 -15.6250 -15.5793 -15.5793 -8.9809 -8.9809 -8.7976 -8.7976 0.9856 0.9856 2.1474 2.1474 2.2695 2.2695 2.4497 2.4497 3.0033 3.0033 3.1459 3.1459 3.4019 3.4019 3.8525 3.8525 8.7095 8.7095 8.9323 8.9323 9.0355 9.0355 9.7842 9.7842 k = 0.2328 0.2328-0.0000 ( 4718 PWs) bands (ev): -34.7585 -34.7585 -34.7360 -34.7360 -16.0806 -16.0806 -16.0150 -16.0150 -15.7353 -15.7353 -15.6758 -15.6758 -15.6217 -15.6217 -15.5780 -15.5780 -8.9946 -8.9946 -8.8025 -8.8025 0.9319 0.9319 2.1786 2.1786 2.2967 2.2967 2.4702 2.4702 3.0373 3.0373 3.1677 3.1677 3.4206 3.4206 3.8749 3.8749 8.6978 8.6978 8.9761 8.9761 9.0060 9.0060 9.7228 9.7229 k = 0.2241 0.2241-0.0000 ( 4714 PWs) bands (ev): -34.7594 -34.7594 -34.7358 -34.7358 -16.0807 -16.0807 -16.0118 -16.0118 -15.7338 -15.7338 -15.6757 -15.6757 -15.6185 -15.6185 -15.5768 -15.5768 -9.0083 -9.0083 -8.8074 -8.8074 0.8791 0.8791 2.2108 2.2108 2.3240 2.3240 2.4926 2.4926 3.0715 3.0715 3.1893 3.1893 3.4383 3.4383 3.8956 3.8956 8.6852 8.6852 8.9802 8.9802 9.0211 9.0211 9.6616 9.6617 k = 0.2155 0.2155-0.0000 ( 4720 PWs) bands (ev): -34.7603 -34.7603 -34.7357 -34.7357 -16.0807 -16.0807 -16.0086 -16.0086 -15.7324 -15.7324 -15.6755 -15.6755 -15.6155 -15.6155 -15.5755 -15.5755 -9.0220 -9.0220 -8.8124 -8.8124 0.8275 0.8275 2.2438 2.2438 2.3514 2.3514 2.5170 2.5170 3.1057 3.1057 3.2105 3.2105 3.4552 3.4552 3.9145 3.9145 8.6720 8.6720 8.9587 8.9587 9.0666 9.0666 9.6007 9.6007 k = 0.2069 0.2069-0.0000 ( 4730 PWs) bands (ev): -34.7611 -34.7611 -34.7355 -34.7355 -16.0808 -16.0808 -16.0054 -16.0054 -15.7311 -15.7311 -15.6752 -15.6752 -15.6125 -15.6125 -15.5742 -15.5742 -9.0355 -9.0355 -8.8175 -8.8175 0.7772 0.7772 2.2776 2.2776 2.3789 2.3789 2.5431 2.5431 3.1397 3.1397 3.2314 3.2314 3.4710 3.4710 3.9316 3.9316 8.6587 8.6587 8.9412 8.9412 9.1128 9.1128 9.5401 9.5402 k = 0.1983 0.1983-0.0000 ( 4729 PWs) bands (ev): -34.7620 -34.7620 -34.7353 -34.7353 -16.0809 -16.0809 -16.0022 -16.0022 -15.7299 -15.7299 -15.6745 -15.6745 -15.6098 -15.6098 -15.5729 -15.5729 -9.0490 -9.0490 -8.8225 -8.8225 0.7283 0.7283 2.3120 2.3120 2.4065 2.4065 2.5708 2.5708 3.1732 3.1732 3.2518 3.2518 3.4859 3.4859 3.9468 3.9468 8.6456 8.6456 8.9278 8.9278 9.1596 9.1596 9.4801 9.4801 k = 0.1897 0.1897-0.0000 ( 4725 PWs) bands (ev): -34.7629 -34.7629 -34.7351 -34.7351 -16.0810 -16.0810 -15.9990 -15.9990 -15.7289 -15.7289 -15.6737 -15.6737 -15.6071 -15.6071 -15.5715 -15.5715 -9.0623 -9.0623 -8.8276 -8.8276 0.6808 0.6808 2.3470 2.3470 2.4342 2.4342 2.6001 2.6001 3.2060 3.2060 3.2719 3.2719 3.5000 3.5000 3.9600 3.9600 8.6328 8.6328 8.9185 8.9185 9.2070 9.2070 9.4207 9.4207 k = 0.1810 0.1810-0.0000 ( 4733 PWs) bands (ev): -34.7637 -34.7637 -34.7350 -34.7350 -16.0811 -16.0811 -15.9958 -15.9958 -15.7281 -15.7281 -15.6728 -15.6728 -15.6047 -15.6047 -15.5701 -15.5701 -9.0754 -9.0754 -8.8327 -8.8327 0.6349 0.6349 2.3824 2.3824 2.4622 2.4622 2.6306 2.6306 3.2372 3.2372 3.2918 3.2918 3.5132 3.5132 3.9712 3.9712 8.6205 8.6205 8.9132 8.9132 9.2547 9.2547 9.3621 9.3621 k = 0.1724 0.1724-0.0000 ( 4737 PWs) bands (ev): -34.7645 -34.7645 -34.7348 -34.7348 -16.0812 -16.0812 -15.9926 -15.9926 -15.7274 -15.7274 -15.6716 -15.6716 -15.6025 -15.6025 -15.5685 -15.5685 -9.0882 -9.0882 -8.8377 -8.8377 0.5907 0.5907 2.4180 2.4180 2.4906 2.4906 2.6623 2.6623 3.2659 3.2659 3.3122 3.3122 3.5257 3.5257 3.9804 3.9804 8.6090 8.6090 8.9118 8.9118 9.2985 9.2985 9.3088 9.3088 k = 0.1638 0.1638-0.0000 ( 4737 PWs) bands (ev): -34.7653 -34.7653 -34.7346 -34.7346 -16.0812 -16.0812 -15.9895 -15.9895 -15.7269 -15.7269 -15.6702 -15.6702 -15.6005 -15.6005 -15.5669 -15.5669 -9.1008 -9.1008 -8.8427 -8.8427 0.5482 0.5482 2.4534 2.4534 2.5194 2.5194 2.6950 2.6950 3.2906 3.2906 3.3342 3.3342 3.5376 3.5376 3.9875 3.9875 8.5983 8.5983 8.9143 8.9143 9.2470 9.2470 9.3520 9.3520 k = 0.1552 0.1552-0.0000 ( 4747 PWs) bands (ev): -34.7661 -34.7661 -34.7345 -34.7345 -16.0814 -16.0814 -15.9865 -15.9865 -15.7266 -15.7266 -15.6686 -15.6686 -15.5988 -15.5988 -15.5653 -15.5653 -9.1130 -9.1130 -8.8476 -8.8476 0.5075 0.5075 2.4884 2.4884 2.5489 2.5489 2.7285 2.7285 3.3105 3.3105 3.3581 3.3581 3.5492 3.5492 3.9925 3.9925 8.5886 8.5886 8.9204 8.9204 9.1915 9.1915 9.4004 9.4004 k = 0.1466 0.1466-0.0000 ( 4755 PWs) bands (ev): -34.7668 -34.7668 -34.7343 -34.7343 -16.0815 -16.0815 -15.9835 -15.9835 -15.7264 -15.7264 -15.6670 -15.6670 -15.5974 -15.5974 -15.5635 -15.5635 -9.1248 -9.1248 -8.8524 -8.8524 0.4687 0.4687 2.5227 2.5227 2.5793 2.5793 2.7626 2.7626 3.3260 3.3260 3.3830 3.3830 3.5607 3.5607 3.9956 3.9956 8.5799 8.5799 8.9300 8.9300 9.1373 9.1373 9.4047 9.4047 k = 0.1379 0.1379-0.0000 ( 4759 PWs) bands (ev): -34.7675 -34.7675 -34.7342 -34.7342 -16.0816 -16.0816 -15.9806 -15.9806 -15.7264 -15.7264 -15.6652 -15.6652 -15.5962 -15.5962 -15.5617 -15.5617 -9.1362 -9.1362 -8.8570 -8.8570 0.4318 0.4318 2.5557 2.5557 2.6107 2.6107 2.7971 2.7971 3.3381 3.3381 3.4074 3.4074 3.5723 3.5723 3.9968 3.9968 8.5723 8.5723 8.9428 8.9428 9.0847 9.0847 9.3811 9.3811 k = 0.1293 0.1293-0.0000 ( 4759 PWs) bands (ev): -34.7682 -34.7682 -34.7340 -34.7340 -16.0817 -16.0817 -15.9778 -15.9778 -15.7264 -15.7264 -15.6633 -15.6633 -15.5951 -15.5951 -15.5598 -15.5598 -9.1471 -9.1471 -8.8615 -8.8615 0.3968 0.3968 2.5874 2.5874 2.6432 2.6432 2.8319 2.8319 3.3474 3.3474 3.4301 3.4301 3.5843 3.5843 3.9961 3.9961 8.5659 8.5659 8.9586 8.9586 9.0340 9.0340 9.3602 9.3602 k = 0.1207 0.1207-0.0000 ( 4761 PWs) bands (ev): -34.7688 -34.7688 -34.7339 -34.7339 -16.0818 -16.0818 -15.9750 -15.9750 -15.7266 -15.7266 -15.6614 -15.6614 -15.5944 -15.5944 -15.5579 -15.5579 -9.1576 -9.1576 -8.8659 -8.8659 0.3640 0.3640 2.6176 2.6176 2.6765 2.6765 2.8668 2.8668 3.3545 3.3545 3.4505 3.4505 3.5968 3.5968 3.9938 3.9938 8.5606 8.5606 8.9735 8.9735 8.9888 8.9888 9.3420 9.3420 k = 0.1121 0.1121-0.0000 ( 4765 PWs) bands (ev): -34.7694 -34.7694 -34.7338 -34.7338 -16.0819 -16.0819 -15.9724 -15.9724 -15.7268 -15.7268 -15.6595 -15.6595 -15.5938 -15.5938 -15.5560 -15.5560 -9.1675 -9.1675 -8.8700 -8.8700 0.3331 0.3331 2.6464 2.6464 2.7103 2.7103 2.9015 2.9015 3.3597 3.3597 3.4679 3.4679 3.6098 3.6098 3.9900 3.9900 8.5564 8.5564 8.9365 8.9365 9.0000 9.0000 9.3264 9.3264 k = 0.1034 0.1034-0.0000 ( 4769 PWs) bands (ev): -34.7700 -34.7700 -34.7337 -34.7337 -16.0820 -16.0820 -15.9699 -15.9699 -15.7271 -15.7271 -15.6575 -15.6575 -15.5934 -15.5934 -15.5541 -15.5541 -9.1768 -9.1768 -8.8739 -8.8739 0.3045 0.3045 2.6738 2.6738 2.7441 2.7441 2.9357 2.9357 3.3631 3.3631 3.4823 3.4823 3.6232 3.6232 3.9850 3.9850 8.5533 8.5533 8.8924 8.8924 9.0231 9.0231 9.3135 9.3135 k = 0.0948 0.0948-0.0000 ( 4767 PWs) bands (ev): -34.7705 -34.7705 -34.7336 -34.7336 -16.0821 -16.0821 -15.9676 -15.9676 -15.7274 -15.7274 -15.6556 -15.6556 -15.5931 -15.5931 -15.5522 -15.5522 -9.1855 -9.1855 -8.8776 -8.8776 0.2779 0.2779 2.6999 2.6999 2.7777 2.7777 2.9692 2.9692 3.3651 3.3651 3.4937 3.4937 3.6363 3.6363 3.9791 3.9791 8.5511 8.5511 8.8504 8.8504 9.0482 9.0482 9.3031 9.3031 k = 0.0862 0.0862-0.0000 ( 4771 PWs) bands (ev): -34.7710 -34.7710 -34.7335 -34.7335 -16.0822 -16.0822 -15.9654 -15.9654 -15.7278 -15.7278 -15.6538 -15.6538 -15.5929 -15.5929 -15.5505 -15.5505 -9.1936 -9.1936 -8.8811 -8.8811 0.2536 0.2536 2.7247 2.7247 2.8105 2.8105 3.0016 3.0016 3.3660 3.3660 3.5025 3.5025 3.6484 3.6484 3.9727 3.9727 8.5498 8.5498 8.8112 8.8112 9.0749 9.0749 9.2950 9.2950 k = 0.0776 0.0776-0.0000 ( 4759 PWs) bands (ev): -34.7715 -34.7715 -34.7334 -34.7334 -16.0823 -16.0823 -15.9633 -15.9633 -15.7281 -15.7281 -15.6519 -15.6519 -15.5929 -15.5929 -15.5488 -15.5488 -9.2010 -9.2010 -8.8842 -8.8842 0.2315 0.2315 2.7481 2.7481 2.8421 2.8421 3.0325 3.0325 3.3662 3.3662 3.5091 3.5091 3.6589 3.6589 3.9662 3.9662 8.5493 8.5493 8.7750 8.7750 9.1026 9.1026 9.2891 9.2891 k = 0.0690 0.0690-0.0000 ( 4767 PWs) bands (ev): -34.7719 -34.7719 -34.7333 -34.7333 -16.0824 -16.0824 -15.9615 -15.9615 -15.7285 -15.7285 -15.6503 -15.6503 -15.5929 -15.5929 -15.5473 -15.5473 -9.2077 -9.2077 -8.8871 -8.8871 0.2116 0.2116 2.7700 2.7700 2.8724 2.8724 3.0611 3.0611 3.3663 3.3663 3.5138 3.5138 3.6671 3.6671 3.9600 3.9600 8.5495 8.5495 8.7417 8.7417 9.1308 9.1308 9.2852 9.2852 k = 0.0603 0.0603-0.0000 ( 4765 PWs) bands (ev): -34.7722 -34.7722 -34.7332 -34.7332 -16.0824 -16.0824 -15.9598 -15.9598 -15.7288 -15.7288 -15.6487 -15.6487 -15.5930 -15.5930 -15.5459 -15.5459 -9.2137 -9.2137 -8.8897 -8.8897 0.1940 0.1940 2.7902 2.7902 2.9008 2.9008 3.0869 3.0869 3.3668 3.3668 3.5171 3.5171 3.6724 3.6724 3.9547 3.9547 8.5501 8.5501 8.7120 8.7120 9.1589 9.1589 9.2829 9.2829 k = 0.0517 0.0517-0.0000 ( 4763 PWs) bands (ev): -34.7726 -34.7726 -34.7332 -34.7332 -16.0825 -16.0825 -15.9584 -15.9584 -15.7291 -15.7291 -15.6473 -15.6473 -15.5931 -15.5931 -15.5446 -15.5446 -9.2189 -9.2189 -8.8920 -8.8920 0.1787 0.1787 2.8084 2.8084 2.9271 2.9271 3.1092 3.1092 3.3682 3.3682 3.5193 3.5193 3.6747 3.6747 3.9504 3.9504 8.5510 8.5510 8.6859 8.6859 9.1862 9.1862 9.2819 9.2819 k = 0.0431 0.0431-0.0000 ( 4755 PWs) bands (ev): -34.7728 -34.7728 -34.7331 -34.7331 -16.0825 -16.0825 -15.9571 -15.9571 -15.7294 -15.7294 -15.6461 -15.6461 -15.5933 -15.5933 -15.5436 -15.5436 -9.2234 -9.2234 -8.8939 -8.8939 0.1658 0.1658 2.8245 2.8245 2.9509 2.9509 3.1274 3.1274 3.3708 3.3708 3.5208 3.5208 3.6741 3.6741 3.9474 3.9474 8.5521 8.5521 8.6634 8.6634 9.2119 9.2119 9.2820 9.2820 k = 0.0345 0.0345-0.0000 ( 4759 PWs) bands (ev): -34.7730 -34.7730 -34.7331 -34.7331 -16.0826 -16.0826 -15.9561 -15.9561 -15.7296 -15.7296 -15.6451 -15.6451 -15.5934 -15.5934 -15.5427 -15.5427 -9.2270 -9.2270 -8.8955 -8.8955 0.1552 0.1552 2.8382 2.8382 2.9716 2.9716 3.1411 3.1411 3.3747 3.3747 3.5218 3.5218 3.6711 3.6711 3.9454 3.9454 8.5533 8.5533 8.6447 8.6447 9.2349 9.2349 9.2829 9.2829 k = 0.0259 0.0259-0.0000 ( 4757 PWs) bands (ev): -34.7732 -34.7732 -34.7330 -34.7330 -16.0826 -16.0826 -15.9553 -15.9553 -15.7298 -15.7298 -15.6443 -15.6443 -15.5936 -15.5936 -15.5419 -15.5419 -9.2299 -9.2299 -8.8967 -8.8967 0.1469 0.1469 2.8491 2.8491 2.9887 2.9887 3.1504 3.1504 3.3795 3.3795 3.5226 3.5226 3.6668 3.6668 3.9444 3.9444 8.5543 8.5543 8.6302 8.6302 9.2539 9.2539 9.2846 9.2846 k = 0.0172 0.0172-0.0000 ( 4761 PWs) bands (ev): -34.7733 -34.7733 -34.7330 -34.7330 -16.0827 -16.0827 -15.9547 -15.9547 -15.7300 -15.7300 -15.6437 -15.6437 -15.5937 -15.5937 -15.5414 -15.5414 -9.2320 -9.2320 -8.8976 -8.8976 0.1410 0.1410 2.8571 2.8571 3.0016 3.0016 3.1561 3.1561 3.3841 3.3841 3.5233 3.5233 3.6623 3.6623 3.9439 3.9439 8.5552 8.5552 8.6196 8.6196 9.2673 9.2673 9.2871 9.2871 k = 0.0086 0.0086-0.0000 ( 4773 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9543 -15.9543 -15.7301 -15.7301 -15.6434 -15.6434 -15.5938 -15.5938 -15.5412 -15.5412 -9.2332 -9.2332 -8.8982 -8.8982 0.1374 0.1374 2.8620 2.8620 3.0097 3.0097 3.1590 3.1590 3.3875 3.3875 3.5238 3.5238 3.6589 3.6589 3.9438 3.9438 8.5558 8.5558 8.6132 8.6132 9.2741 9.2741 9.2904 9.2904 k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6433 -15.6433 -15.5938 -15.5938 -15.5411 -15.5411 -9.2336 -9.2336 -8.8984 -8.8984 0.1362 0.1362 2.8637 2.8637 3.0125 3.0125 3.1599 3.1599 3.3887 3.3887 3.5240 3.5240 3.6576 3.6576 3.9438 3.9438 8.5559 8.5559 8.6110 8.6110 9.2760 9.2760 9.2920 9.2920 k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6433 -15.6433 -15.5938 -15.5938 -15.5411 -15.5411 -9.2336 -9.2336 -8.8984 -8.8984 0.1362 0.1362 2.8637 2.8637 3.0125 3.0125 3.1599 3.1599 3.3887 3.3887 3.5240 3.5240 3.6576 3.6576 3.9438 3.9438 8.5559 8.5559 8.6110 8.6110 9.2760 9.2760 9.2920 9.2920 k = 0.0000 0.0000 0.0122 ( 4781 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6433 -15.6433 -15.5938 -15.5938 -15.5411 -15.5411 -9.2335 -9.2335 -8.8985 -8.8985 0.1372 0.1372 2.8346 2.8346 3.0354 3.0354 3.1599 3.1599 3.3924 3.3924 3.5238 3.5238 3.6608 3.6608 3.9440 3.9440 8.5563 8.5563 8.6105 8.6105 9.2759 9.2759 9.2920 9.2920 k = 0.0000 0.0000 0.0244 ( 4773 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6432 -15.6432 -15.5938 -15.5938 -15.5411 -15.5411 -9.2329 -9.2329 -8.8991 -8.8991 0.1400 0.1400 2.7736 2.7736 3.0775 3.0775 3.1599 3.1599 3.4034 3.4034 3.5233 3.5233 3.6708 3.6708 3.9445 3.9445 8.5575 8.5575 8.6089 8.6089 9.2758 9.2758 9.2919 9.2919 k = 0.0000 0.0000 0.0366 ( 4773 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0827 -16.0827 -15.9542 -15.9542 -15.7301 -15.7301 -15.6432 -15.6432 -15.5938 -15.5938 -15.5411 -15.5411 -9.2321 -9.2321 -8.9000 -8.9000 0.1448 0.1448 2.7025 2.7025 3.1165 3.1165 3.1600 3.1600 3.4207 3.4207 3.5226 3.5226 3.6889 3.6889 3.9455 3.9455 8.5592 8.5592 8.6064 8.6064 9.2756 9.2756 9.2917 9.2917 k = 0.0000 0.0000 0.0488 ( 4773 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0826 -16.0826 -15.9543 -15.9543 -15.7301 -15.7301 -15.6432 -15.6432 -15.5938 -15.5938 -15.5411 -15.5411 -9.2309 -9.2309 -8.9012 -8.9012 0.1513 0.1513 2.6278 2.6278 3.1469 3.1469 3.1601 3.1601 3.4419 3.4419 3.5215 3.5215 3.7165 3.7165 3.9467 3.9467 8.5612 8.5612 8.6029 8.6029 9.2754 9.2754 9.2914 9.2914 k = 0.0000 0.0000 0.0610 ( 4741 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0826 -16.0826 -15.9542 -15.9542 -15.7300 -15.7300 -15.6432 -15.6432 -15.5938 -15.5938 -15.5410 -15.5410 -9.2295 -9.2295 -8.9027 -8.9027 0.1595 0.1595 2.5522 2.5522 3.1602 3.1602 3.1684 3.1684 3.4636 3.4636 3.5202 3.5202 3.7546 3.7546 3.9483 3.9483 8.5634 8.5634 8.5987 8.5987 9.2752 9.2752 9.2912 9.2912 k = 0.0000 0.0000 0.0732 ( 4741 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0825 -16.0825 -15.9543 -15.9543 -15.7299 -15.7299 -15.6432 -15.6432 -15.5939 -15.5939 -15.5410 -15.5410 -9.2277 -9.2277 -8.9046 -8.9046 0.1694 0.1694 2.4769 2.4769 3.1603 3.1603 3.1828 3.1828 3.4830 3.4830 3.5187 3.5187 3.8029 3.8029 3.9501 3.9501 8.5649 8.5649 8.5937 8.5937 9.2748 9.2748 9.2908 9.2908 k = 0.0000 0.0000 0.0853 ( 4741 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0825 -16.0825 -15.9543 -15.9543 -15.7299 -15.7299 -15.6432 -15.6432 -15.5939 -15.5939 -15.5410 -15.5410 -9.2258 -9.2258 -8.9066 -8.9066 0.1806 0.1806 2.4029 2.4029 3.1605 3.1605 3.1920 3.1920 3.4989 3.4989 3.5171 3.5171 3.8592 3.8592 3.9521 3.9521 8.5655 8.5655 8.5882 8.5882 9.2744 9.2744 9.2903 9.2903 k = 0.0000 0.0000 0.0975 ( 4722 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0824 -16.0824 -15.9543 -15.9543 -15.7299 -15.7299 -15.6431 -15.6431 -15.5939 -15.5939 -15.5410 -15.5410 -9.2236 -9.2236 -8.9089 -8.9089 0.1932 0.1932 2.3311 2.3311 3.1606 3.1606 3.1978 3.1978 3.5116 3.5116 3.5153 3.5153 3.9207 3.9207 3.9543 3.9543 8.5647 8.5647 8.5822 8.5822 9.2740 9.2740 9.2899 9.2899 k = 0.0000 0.0000 0.1097 ( 4730 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0824 -16.0824 -15.9543 -15.9543 -15.7298 -15.7298 -15.6431 -15.6431 -15.5940 -15.5940 -15.5410 -15.5410 -9.2213 -9.2213 -8.9113 -8.9113 0.2067 0.2067 2.2619 2.2619 3.1608 3.1608 3.2014 3.2014 3.5134 3.5134 3.5217 3.5217 3.9565 3.9565 3.9849 3.9849 8.5618 8.5618 8.5760 8.5760 9.2735 9.2735 9.2894 9.2894 k = 0.0000 0.0000 0.1219 ( 4738 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0824 -16.0824 -15.9544 -15.9544 -15.7298 -15.7298 -15.6432 -15.6432 -15.5941 -15.5941 -15.5410 -15.5410 -9.2189 -9.2189 -8.9138 -8.9138 0.2211 0.2211 2.1960 2.1960 3.1609 3.1609 3.2033 3.2033 3.5115 3.5115 3.5298 3.5298 3.9588 3.9588 4.0494 4.0494 8.5567 8.5567 8.5697 8.5697 9.2731 9.2731 9.2889 9.2889 k = 0.0000 0.0000 0.1341 ( 4734 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0823 -16.0823 -15.9544 -15.9544 -15.7297 -15.7297 -15.6431 -15.6431 -15.5941 -15.5941 -15.5410 -15.5410 -9.2164 -9.2164 -8.9164 -8.9164 0.2359 0.2359 2.1339 2.1339 3.1611 3.1611 3.2043 3.2043 3.5096 3.5096 3.5365 3.5365 3.9611 3.9611 4.1125 4.1125 8.5491 8.5491 8.5634 8.5634 9.2726 9.2726 9.2884 9.2884 k = 0.0000 0.0000 0.1463 ( 4734 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0823 -16.0823 -15.9545 -15.9545 -15.7297 -15.7297 -15.6431 -15.6431 -15.5942 -15.5942 -15.5411 -15.5411 -9.2140 -9.2140 -8.9189 -8.9189 0.2508 0.2508 2.0763 2.0763 3.1612 3.1612 3.2046 3.2046 3.5078 3.5078 3.5420 3.5420 3.9633 3.9633 4.1728 4.1728 8.5391 8.5391 8.5574 8.5574 9.2721 9.2721 9.2879 9.2879 k = 0.0000 0.0000 0.1585 ( 4754 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9546 -15.9546 -15.7296 -15.7296 -15.6431 -15.6431 -15.5944 -15.5944 -15.5411 -15.5411 -9.2117 -9.2117 -8.9214 -8.9214 0.2655 0.2655 2.0236 2.0236 3.1614 3.1614 3.2044 3.2044 3.5061 3.5061 3.5467 3.5467 3.9654 3.9654 4.2289 4.2289 8.5273 8.5273 8.5516 8.5516 9.2716 9.2716 9.2873 9.2873 k = 0.0000 0.0000 0.1707 ( 4746 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9546 -15.9546 -15.7296 -15.7296 -15.6431 -15.6431 -15.5944 -15.5944 -15.5411 -15.5411 -9.2095 -9.2095 -8.9237 -8.9237 0.2795 0.2795 1.9763 1.9763 3.1615 3.1615 3.2040 3.2040 3.5046 3.5046 3.5506 3.5506 3.9673 3.9673 4.2799 4.2799 8.5142 8.5142 8.5465 8.5465 9.2713 9.2713 9.2869 9.2869 k = 0.0000 0.0000 0.1829 ( 4746 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9547 -15.9547 -15.7296 -15.7296 -15.6431 -15.6431 -15.5944 -15.5944 -15.5411 -15.5411 -9.2075 -9.2075 -8.9257 -8.9257 0.2924 0.2924 1.9352 1.9352 3.1616 3.1616 3.2035 3.2035 3.5032 3.5032 3.5538 3.5538 3.9690 3.9690 4.3248 4.3248 8.5007 8.5007 8.5418 8.5418 9.2709 9.2709 9.2865 9.2865 k = 0.0000 0.0000 0.1951 ( 4746 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0821 -16.0821 -15.9547 -15.9547 -15.7295 -15.7295 -15.6431 -15.6431 -15.5945 -15.5945 -15.5411 -15.5411 -9.2058 -9.2058 -8.9275 -8.9275 0.3037 0.3037 1.9006 1.9006 3.1617 3.1617 3.2030 3.2030 3.5020 3.5020 3.5564 3.5564 3.9704 3.9704 4.3627 4.3627 8.4879 8.4879 8.5379 8.5379 9.2706 9.2706 9.2862 9.2862 k = 0.0000 0.0000 0.2073 ( 4742 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0821 -16.0821 -15.9547 -15.9547 -15.7295 -15.7295 -15.6431 -15.6431 -15.5945 -15.5945 -15.5411 -15.5411 -9.2044 -9.2044 -8.9290 -8.9290 0.3131 0.3131 1.8731 1.8731 3.1618 3.1618 3.2025 3.2025 3.5011 3.5011 3.5584 3.5584 3.9716 3.9716 4.3930 4.3930 8.4767 8.4767 8.5348 8.5348 9.2704 9.2704 9.2859 9.2859 k = 0.0000 0.0000 0.2195 ( 4746 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0821 -16.0821 -15.9547 -15.9547 -15.7295 -15.7295 -15.6431 -15.6431 -15.5945 -15.5945 -15.5411 -15.5411 -9.2033 -9.2033 -8.9301 -8.9301 0.3201 0.3201 1.8530 1.8530 3.1618 3.1618 3.2021 3.2021 3.5004 3.5004 3.5598 3.5598 3.9724 3.9724 4.4151 4.4151 8.4680 8.4680 8.5325 8.5325 9.2702 9.2702 9.2857 9.2857 k = 0.0000 0.0000 0.2316 ( 4766 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9547 -15.9547 -15.7296 -15.7296 -15.6432 -15.6432 -15.5946 -15.5946 -15.5411 -15.5411 -9.2027 -9.2027 -8.9307 -8.9307 0.3244 0.3244 1.8409 1.8409 3.1619 3.1619 3.2019 3.2019 3.5000 3.5000 3.5606 3.5606 3.9729 3.9729 4.4285 4.4285 8.4624 8.4624 8.5311 8.5311 9.2701 9.2701 9.2856 9.2856 k = 0.0000 0.0000 0.2438 ( 4778 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9547 -15.9547 -15.7296 -15.7296 -15.6432 -15.6432 -15.5946 -15.5946 -15.5411 -15.5411 -9.2025 -9.2025 -8.9310 -8.9310 0.3259 0.3259 1.8368 1.8368 3.1619 3.1619 3.2018 3.2018 3.4998 3.4998 3.5609 3.5609 3.9731 3.9731 4.4330 4.4330 8.4605 8.4605 8.5307 8.5307 9.2701 9.2701 9.2856 9.2856 k = 0.0000 0.0000 0.2438 ( 4778 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9547 -15.9547 -15.7296 -15.7296 -15.6432 -15.6432 -15.5946 -15.5946 -15.5411 -15.5411 -9.2025 -9.2025 -8.9310 -8.9310 0.3259 0.3259 1.8368 1.8368 3.1619 3.1619 3.2018 3.2018 3.4998 3.4998 3.5609 3.5609 3.9731 3.9731 4.4330 4.4330 8.4605 8.4605 8.5307 8.5307 9.2701 9.2701 9.2856 9.2856 k = 0.0000 0.0122 0.2438 ( 4772 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9549 -15.9549 -15.7296 -15.7296 -15.6433 -15.6433 -15.5945 -15.5945 -15.5412 -15.5412 -9.2021 -9.2021 -8.9307 -8.9307 0.3266 0.3266 1.8375 1.8375 3.1603 3.1603 3.2008 3.2008 3.4986 3.4986 3.5600 3.5600 3.9716 3.9716 4.4321 4.4321 8.4630 8.4630 8.5330 8.5330 9.2668 9.2668 9.2825 9.2825 k = 0.0000 0.0244 0.2438 ( 4764 PWs) bands (ev): -34.7733 -34.7733 -34.7330 -34.7330 -16.0822 -16.0822 -15.9552 -15.9552 -15.7295 -15.7295 -15.6436 -15.6436 -15.5945 -15.5945 -15.5415 -15.5415 -9.2010 -9.2010 -8.9301 -8.9301 0.3288 0.3288 1.8397 1.8397 3.1556 3.1556 3.1976 3.1976 3.4952 3.4952 3.5574 3.5574 3.9671 3.9671 4.4295 4.4295 8.4705 8.4705 8.5398 8.5398 9.2552 9.2552 9.2759 9.2759 k = 0.0000 0.0366 0.2438 ( 4758 PWs) bands (ev): -34.7732 -34.7732 -34.7330 -34.7330 -16.0821 -16.0821 -15.9558 -15.9558 -15.7293 -15.7293 -15.6442 -15.6442 -15.5943 -15.5943 -15.5420 -15.5420 -9.1991 -9.1991 -8.9289 -8.9289 0.3324 0.3324 1.8433 1.8433 3.1476 3.1476 3.1923 3.1923 3.4898 3.4898 3.5531 3.5531 3.9600 3.9600 4.4252 4.4252 8.4828 8.4828 8.5511 8.5511 9.2351 9.2351 9.2682 9.2682 k = 0.0000 0.0488 0.2438 ( 4766 PWs) bands (ev): -34.7730 -34.7730 -34.7331 -34.7331 -16.0821 -16.0821 -15.9566 -15.9566 -15.7291 -15.7291 -15.6451 -15.6451 -15.5942 -15.5942 -15.5427 -15.5427 -9.1966 -9.1966 -8.9274 -8.9274 0.3374 0.3374 1.8483 1.8483 3.1360 3.1360 3.1844 3.1844 3.4829 3.4829 3.5471 3.5471 3.9505 3.9505 4.4191 4.4191 8.4997 8.4997 8.5665 8.5665 9.2093 9.2093 9.2592 9.2592 k = 0.0000 0.0610 0.2438 ( 4762 PWs) bands (ev): -34.7728 -34.7728 -34.7331 -34.7331 -16.0821 -16.0821 -15.9577 -15.9577 -15.7289 -15.7289 -15.6461 -15.6461 -15.5940 -15.5940 -15.5436 -15.5436 -9.1932 -9.1932 -8.9253 -8.9253 0.3437 0.3437 1.8546 1.8546 3.1206 3.1206 3.1738 3.1738 3.4751 3.4751 3.5396 3.5396 3.9391 3.9391 4.4114 4.4114 8.5208 8.5208 8.5859 8.5859 9.1802 9.1802 9.2485 9.2485 k = 0.0000 0.0732 0.2438 ( 4750 PWs) bands (ev): -34.7726 -34.7726 -34.7332 -34.7332 -16.0820 -16.0820 -15.9589 -15.9589 -15.7285 -15.7285 -15.6473 -15.6473 -15.5938 -15.5938 -15.5446 -15.5446 -9.1892 -9.1892 -8.9229 -8.9229 0.3515 0.3515 1.8622 1.8622 3.1012 3.1012 3.1602 3.1602 3.4669 3.4669 3.5306 3.5306 3.9265 3.9265 4.4022 4.4022 8.5457 8.5457 8.6087 8.6087 9.1497 9.1497 9.2361 9.2361 k = 0.0000 0.0854 0.2438 ( 4760 PWs) bands (ev): -34.7722 -34.7722 -34.7332 -34.7332 -16.0820 -16.0820 -15.9605 -15.9605 -15.7282 -15.7282 -15.6487 -15.6487 -15.5937 -15.5937 -15.5458 -15.5458 -9.1845 -9.1845 -8.9201 -8.9201 0.3605 0.3605 1.8710 1.8710 3.0773 3.0773 3.1433 3.1433 3.4591 3.4591 3.5204 3.5204 3.9131 3.9131 4.3914 4.3914 8.5741 8.5741 8.6347 8.6347 9.1187 9.1187 9.2224 9.2224 k = 0.0000 0.0976 0.2438 ( 4762 PWs) bands (ev): -34.7719 -34.7719 -34.7333 -34.7333 -16.0819 -16.0819 -15.9622 -15.9622 -15.7278 -15.7278 -15.6502 -15.6502 -15.5936 -15.5936 -15.5471 -15.5471 -9.1791 -9.1791 -8.9170 -8.9170 0.3707 0.3707 1.8808 1.8808 3.0489 3.0489 3.1230 3.1230 3.4521 3.4521 3.5092 3.5092 3.8995 3.8995 4.3791 4.3791 8.6056 8.6056 8.6634 8.6634 9.0882 9.0882 9.2076 9.2076 k = 0.0000 0.1098 0.2438 ( 4760 PWs) bands (ev): -34.7715 -34.7715 -34.7334 -34.7334 -16.0819 -16.0819 -15.9641 -15.9641 -15.7274 -15.7274 -15.6518 -15.6518 -15.5936 -15.5936 -15.5485 -15.5485 -9.1731 -9.1731 -8.9134 -8.9134 0.3821 0.3821 1.8917 1.8917 3.0159 3.0159 3.0995 3.0995 3.4463 3.4463 3.4972 3.4972 3.8860 3.8860 4.3653 4.3653 8.6397 8.6397 8.6943 8.6943 9.0588 9.0588 9.1919 9.1919 k = 0.0000 0.1220 0.2438 ( 4754 PWs) bands (ev): -34.7710 -34.7710 -34.7335 -34.7335 -16.0818 -16.0818 -15.9663 -15.9663 -15.7270 -15.7270 -15.6534 -15.6534 -15.5936 -15.5936 -15.5500 -15.5500 -9.1664 -9.1664 -8.9096 -8.9096 0.3946 0.3946 1.9033 1.9033 2.9783 2.9783 3.0729 3.0729 3.4419 3.4419 3.4848 3.4848 3.8729 3.8729 4.3502 4.3502 8.6761 8.6761 8.7272 8.7272 9.0311 9.0311 9.1757 9.1757 k = 0.0000 0.1341 0.2438 ( 4754 PWs) bands (ev): -34.7705 -34.7705 -34.7336 -34.7336 -16.0818 -16.0818 -15.9686 -15.9686 -15.7265 -15.7265 -15.6552 -15.6552 -15.5938 -15.5938 -15.5515 -15.5515 -9.1591 -9.1591 -8.9055 -8.9055 0.4080 0.4080 1.9155 1.9155 2.9365 2.9365 3.0438 3.0438 3.4388 3.4388 3.4721 3.4721 3.8605 3.8605 4.3336 4.3336 8.7143 8.7143 8.7614 8.7614 9.0053 9.0053 9.1593 9.1593 k = 0.0000 0.1463 0.2438 ( 4750 PWs) bands (ev): -34.7700 -34.7700 -34.7338 -34.7338 -16.0818 -16.0818 -15.9711 -15.9711 -15.7261 -15.7261 -15.6570 -15.6570 -15.5940 -15.5940 -15.5531 -15.5531 -9.1512 -9.1512 -8.9012 -8.9012 0.4224 0.4224 1.9279 1.9279 2.8911 2.8911 3.0126 3.0126 3.4365 3.4365 3.4598 3.4598 3.8487 3.8487 4.3157 4.3157 8.7539 8.7539 8.7968 8.7968 8.9822 8.9822 9.1430 9.1430 k = 0.0000 0.1585 0.2438 ( 4746 PWs) bands (ev): -34.7694 -34.7694 -34.7339 -34.7339 -16.0817 -16.0817 -15.9739 -15.9739 -15.7256 -15.7256 -15.6588 -15.6588 -15.5944 -15.5944 -15.5547 -15.5547 -9.1428 -9.1428 -8.8966 -8.8966 0.4376 0.4376 1.9403 1.9403 2.8426 2.8426 2.9799 2.9799 3.4331 3.4331 3.4498 3.4498 3.8375 3.8375 4.2965 4.2965 8.7942 8.7942 8.8331 8.8331 8.9623 8.9623 9.1270 9.1270 k = 0.0000 0.1707 0.2438 ( 4736 PWs) bands (ev): -34.7688 -34.7688 -34.7341 -34.7341 -16.0817 -16.0817 -15.9767 -15.9767 -15.7251 -15.7251 -15.6606 -15.6606 -15.5948 -15.5948 -15.5563 -15.5563 -9.1339 -9.1339 -8.8919 -8.8919 0.4536 0.4536 1.9520 1.9520 2.7922 2.7922 2.9464 2.9464 3.4245 3.4245 3.4458 3.4458 3.8269 3.8269 4.2761 4.2761 8.8337 8.8337 8.8701 8.8701 8.9473 8.9473 9.1116 9.1116 k = 0.0000 0.1829 0.2438 ( 4742 PWs) bands (ev): -34.7682 -34.7682 -34.7342 -34.7342 -16.0817 -16.0817 -15.9798 -15.9798 -15.7246 -15.7246 -15.6624 -15.6624 -15.5954 -15.5954 -15.5579 -15.5579 -9.1245 -9.1245 -8.8870 -8.8870 0.4702 0.4702 1.9625 1.9625 2.7409 2.7409 2.9127 2.9127 3.4118 3.4118 3.4468 3.4468 3.8168 3.8168 4.2544 4.2544 8.8672 8.8672 8.9072 8.9072 8.9424 8.9424 9.0970 9.0970 k = 0.0000 0.1951 0.2438 ( 4740 PWs) bands (ev): -34.7675 -34.7675 -34.7344 -34.7344 -16.0817 -16.0817 -15.9830 -15.9830 -15.7242 -15.7242 -15.6642 -15.6642 -15.5961 -15.5961 -15.5595 -15.5595 -9.1146 -9.1146 -8.8821 -8.8821 0.4873 0.4873 1.9708 1.9708 2.6900 2.6900 2.8795 2.8795 3.3975 3.3975 3.4499 3.4499 3.8070 3.8070 4.2316 4.2316 8.8824 8.8824 8.9435 8.9435 8.9612 8.9612 9.0834 9.0834 k = 0.0000 0.2073 0.2438 ( 4742 PWs) bands (ev): -34.7668 -34.7668 -34.7346 -34.7346 -16.0817 -16.0817 -15.9864 -15.9864 -15.7238 -15.7238 -15.6660 -15.6660 -15.5968 -15.5968 -15.5609 -15.5609 -9.1044 -9.1044 -8.8771 -8.8771 0.5048 0.5048 1.9759 1.9759 2.6412 2.6412 2.8474 2.8474 3.3822 3.3822 3.4542 3.4542 3.7973 3.7973 4.2077 4.2077 8.8816 8.8816 8.9800 8.9800 9.0000 9.0000 9.0712 9.0712 k = 0.0000 0.2195 0.2438 ( 4742 PWs) bands (ev): -34.7661 -34.7661 -34.7349 -34.7349 -16.0817 -16.0817 -15.9898 -15.9898 -15.7233 -15.7233 -15.6677 -15.6677 -15.5977 -15.5977 -15.5624 -15.5624 -9.0938 -9.0938 -8.8721 -8.8721 0.5226 0.5226 1.9763 1.9763 2.5962 2.5962 2.8169 2.8169 3.3660 3.3660 3.4596 3.4596 3.7877 3.7877 4.1828 4.1828 8.8772 8.8772 9.0172 9.0172 9.0455 9.0455 9.0605 9.0605 k = 0.0000 0.2317 0.2438 ( 4744 PWs) bands (ev): -34.7653 -34.7653 -34.7351 -34.7351 -16.0817 -16.0817 -15.9934 -15.9934 -15.7229 -15.7229 -15.6695 -15.6695 -15.5986 -15.5986 -15.5637 -15.5637 -9.0828 -9.0828 -8.8672 -8.8672 0.5407 0.5407 1.9705 1.9705 2.5568 2.5568 2.7887 2.7887 3.3489 3.3489 3.4657 3.4657 3.7779 3.7779 4.1569 4.1569 8.8738 8.8738 9.0496 9.0496 9.0557 9.0557 9.0946 9.0946 k = 0.0000 0.2439 0.2438 ( 4748 PWs) bands (ev): -34.7646 -34.7646 -34.7354 -34.7354 -16.0817 -16.0817 -15.9971 -15.9971 -15.7226 -15.7226 -15.6712 -15.6712 -15.5995 -15.5995 -15.5651 -15.5651 -9.0716 -9.0716 -8.8624 -8.8624 0.5588 0.5588 1.9570 1.9570 2.5249 2.5249 2.7633 2.7633 3.3309 3.3309 3.4725 3.4725 3.7678 3.7678 4.1304 4.1304 8.8724 8.8724 9.0430 9.0430 9.0915 9.0915 9.1455 9.1455 k = 0.0000 0.2561 0.2438 ( 4746 PWs) bands (ev): -34.7638 -34.7638 -34.7357 -34.7357 -16.0817 -16.0817 -16.0008 -16.0008 -15.7222 -15.7222 -15.6729 -15.6729 -15.6003 -15.6003 -15.5663 -15.5663 -9.0602 -9.0602 -8.8577 -8.8577 0.5771 0.5771 1.9349 1.9349 2.5014 2.5014 2.7413 2.7413 3.3118 3.3118 3.4798 3.4798 3.7572 3.7572 4.1031 4.1031 8.8733 8.8733 9.0373 9.0373 9.1278 9.1278 9.1982 9.1982 k = 0.0000 0.2683 0.2438 ( 4742 PWs) bands (ev): -34.7629 -34.7629 -34.7360 -34.7360 -16.0817 -16.0817 -16.0046 -16.0046 -15.7218 -15.7218 -15.6746 -15.6746 -15.6012 -15.6012 -15.5676 -15.5676 -9.0485 -9.0485 -8.8533 -8.8533 0.5953 0.5953 1.9041 1.9041 2.4865 2.4865 2.7234 2.7234 3.2917 3.2917 3.4878 3.4878 3.7459 3.7459 4.0754 4.0754 8.8766 8.8766 9.0334 9.0334 9.1633 9.1633 9.2524 9.2524 k = 0.0000 0.2805 0.2438 ( 4726 PWs) bands (ev): -34.7621 -34.7621 -34.7363 -34.7363 -16.0816 -16.0816 -16.0084 -16.0084 -15.7214 -15.7214 -15.6762 -15.6762 -15.6019 -15.6019 -15.5688 -15.5688 -9.0368 -9.0368 -8.8490 -8.8490 0.6134 0.6134 1.8656 1.8656 2.4791 2.4791 2.7102 2.7102 3.2706 3.2706 3.4961 3.4961 3.7337 3.7337 4.0475 4.0475 8.8823 8.8823 9.0316 9.0316 9.1977 9.1977 9.3080 9.3080 k = 0.0000 0.2927 0.2438 ( 4726 PWs) bands (ev): -34.7612 -34.7612 -34.7367 -34.7367 -16.0815 -16.0815 -16.0123 -16.0123 -15.7211 -15.7211 -15.6779 -15.6779 -15.6025 -15.6025 -15.5700 -15.5700 -9.0249 -9.0249 -8.8451 -8.8451 0.6315 0.6315 1.8207 1.8207 2.4776 2.4776 2.7023 2.7023 3.2483 3.2483 3.5049 3.5049 3.7203 3.7203 4.0195 4.0195 8.8902 8.8902 9.0318 9.0318 9.2307 9.2307 9.3648 9.3648 k = 0.0000 0.3049 0.2438 ( 4726 PWs) bands (ev): -34.7604 -34.7604 -34.7371 -34.7371 -16.0814 -16.0814 -16.0162 -16.0162 -15.7207 -15.7207 -15.6796 -15.6796 -15.6031 -15.6031 -15.5712 -15.5712 -9.0130 -9.0130 -8.8415 -8.8415 0.6495 0.6495 1.7712 1.7712 2.4802 2.4802 2.7002 2.7002 3.2250 3.2250 3.5140 3.5140 3.7056 3.7056 3.9917 3.9917 8.9002 8.9002 9.0341 9.0341 9.2616 9.2616 9.4228 9.4228 k = 0.0000 0.3171 0.2438 ( 4726 PWs) bands (ev): -34.7595 -34.7595 -34.7375 -34.7375 -16.0813 -16.0813 -16.0201 -16.0201 -15.7203 -15.7203 -15.6813 -15.6813 -15.6035 -15.6035 -15.5724 -15.5724 -9.0011 -9.0011 -8.8383 -8.8383 0.6674 0.6674 1.7186 1.7186 2.4855 2.4855 2.7043 2.7043 3.2006 3.2006 3.5234 3.5234 3.6893 3.6893 3.9645 3.9645 8.9121 8.9121 9.0385 9.0385 9.2901 9.2901 9.4817 9.4817 k = 0.0000 0.3293 0.2438 ( 4734 PWs) bands (ev): -34.7586 -34.7586 -34.7379 -34.7379 -16.0811 -16.0811 -16.0239 -16.0239 -15.7199 -15.7199 -15.6830 -15.6830 -15.6037 -15.6037 -15.5737 -15.5737 -8.9893 -8.9893 -8.8355 -8.8355 0.6854 0.6854 1.6642 1.6642 2.4923 2.4923 2.7144 2.7144 3.1752 3.1752 3.5330 3.5330 3.6711 3.6711 3.9381 3.9381 8.9259 8.9259 9.0451 9.0451 9.3153 9.3153 9.5413 9.5414 k = 0.0000 0.3415 0.2438 ( 4730 PWs) bands (ev): -34.7577 -34.7577 -34.7384 -34.7384 -16.0808 -16.0808 -16.0278 -16.0278 -15.7194 -15.7194 -15.6847 -15.6847 -15.6038 -15.6038 -15.5749 -15.5749 -8.9776 -8.9776 -8.8331 -8.8331 0.7033 0.7033 1.6089 1.6089 2.5003 2.5003 2.7302 2.7302 3.1490 3.1490 3.5427 3.5427 3.6509 3.6509 3.9128 3.9128 8.9412 8.9412 9.0539 9.0539 9.3367 9.3367 9.6013 9.6013 k = 0.0000 0.3537 0.2438 ( 4732 PWs) bands (ev): -34.7568 -34.7568 -34.7388 -34.7388 -16.0805 -16.0805 -16.0315 -16.0315 -15.7189 -15.7189 -15.6865 -15.6865 -15.6037 -15.6037 -15.5762 -15.5762 -8.9661 -8.9661 -8.8313 -8.8313 0.7215 0.7215 1.5535 1.5535 2.5093 2.5093 2.7509 2.7509 3.1220 3.1220 3.5522 3.5522 3.6287 3.6287 3.8889 3.8889 8.9580 8.9580 9.0649 9.0649 9.3536 9.3536 9.6604 9.6604 k = 0.0000 0.3659 0.2438 ( 4744 PWs) bands (ev): -34.7559 -34.7559 -34.7393 -34.7393 -16.0801 -16.0801 -16.0352 -16.0352 -15.7183 -15.7183 -15.6883 -15.6883 -15.6035 -15.6035 -15.5775 -15.5775 -8.9547 -8.9547 -8.8299 -8.8299 0.7399 0.7399 1.4986 1.4986 2.5196 2.5196 2.7756 2.7756 3.0945 3.0945 3.5604 3.5604 3.6055 3.6055 3.8665 3.8665 8.9759 8.9759 9.0780 9.0780 9.3654 9.3654 9.6993 9.7000 k = 0.0000 0.3780 0.2438 ( 4748 PWs) bands (ev): -34.7550 -34.7550 -34.7399 -34.7399 -16.0796 -16.0796 -16.0388 -16.0388 -15.7177 -15.7177 -15.6901 -15.6901 -15.6031 -15.6031 -15.5788 -15.5788 -8.9436 -8.9436 -8.8292 -8.8292 0.7587 0.7587 1.4447 1.4447 2.5314 2.5314 2.8034 2.8034 3.0667 3.0667 3.5595 3.5595 3.5892 3.5892 3.8456 3.8456 8.9951 8.9951 9.0932 9.0932 9.3718 9.3718 9.6748 9.6749 k = 0.0000 0.3902 0.2438 ( 4744 PWs) bands (ev): -34.7541 -34.7541 -34.7404 -34.7404 -16.0790 -16.0790 -16.0423 -16.0423 -15.7170 -15.7170 -15.6918 -15.6918 -15.6025 -15.6025 -15.5801 -15.5801 -8.9329 -8.9329 -8.8290 -8.8290 0.7781 0.7781 1.3921 1.3921 2.5450 2.5450 2.8330 2.8330 3.0393 3.0393 3.5373 3.5373 3.5920 3.5920 3.8263 3.8263 9.0152 9.0152 9.1104 9.1104 9.3727 9.3727 9.6440 9.6440 k = 0.0000 0.4024 0.2438 ( 4750 PWs) bands (ev): -34.7532 -34.7532 -34.7410 -34.7410 -16.0783 -16.0783 -16.0457 -16.0457 -15.7162 -15.7162 -15.6937 -15.6937 -15.6018 -15.6018 -15.5814 -15.5814 -8.9224 -8.9224 -8.8294 -8.8294 0.7983 0.7983 1.3411 1.3411 2.5605 2.5605 2.8627 2.8627 3.0136 3.0136 3.5066 3.5066 3.6012 3.6012 3.8083 3.8083 9.0361 9.0361 9.1297 9.1297 9.3684 9.3684 9.6118 9.6118 k = 0.0000 0.4146 0.2438 ( 4748 PWs) bands (ev): -34.7523 -34.7523 -34.7416 -34.7416 -16.0774 -16.0774 -16.0489 -16.0489 -15.7153 -15.7153 -15.6954 -15.6954 -15.6010 -15.6010 -15.5828 -15.5828 -8.9124 -8.9124 -8.8305 -8.8305 0.8194 0.8194 1.2920 1.2920 2.5779 2.5779 2.8878 2.8878 2.9940 2.9940 3.4728 3.4728 3.6118 3.6118 3.7916 3.7916 9.0578 9.0578 9.1510 9.1510 9.3593 9.3593 9.5788 9.5788 k = 0.0000 0.4268 0.2438 ( 4744 PWs) bands (ev): -34.7515 -34.7515 -34.7422 -34.7422 -16.0764 -16.0764 -16.0520 -16.0520 -15.7144 -15.7144 -15.6972 -15.6972 -15.6000 -15.6000 -15.5842 -15.5842 -8.9028 -8.9028 -8.8322 -8.8322 0.8415 0.8415 1.2448 1.2448 2.5973 2.5973 2.8971 2.8971 2.9913 2.9913 3.4370 3.4370 3.6229 3.6229 3.7759 3.7759 9.0801 9.0801 9.1740 9.1740 9.3463 9.3463 9.5453 9.5453 k = 0.0000 0.4390 0.2438 ( 4750 PWs) bands (ev): -34.7506 -34.7506 -34.7429 -34.7429 -16.0753 -16.0753 -16.0550 -16.0550 -15.7134 -15.7134 -15.6989 -15.6989 -15.5990 -15.5990 -15.5856 -15.5856 -8.8937 -8.8937 -8.8345 -8.8345 0.8650 0.8650 1.1997 1.1997 2.6185 2.6185 2.8843 2.8843 3.0118 3.0118 3.3996 3.3996 3.6344 3.6344 3.7610 3.7610 9.1029 9.1029 9.1988 9.1988 9.3300 9.3300 9.5115 9.5115 k = 0.0000 0.4512 0.2438 ( 4746 PWs) bands (ev): -34.7497 -34.7497 -34.7436 -34.7436 -16.0740 -16.0740 -16.0577 -16.0577 -15.7122 -15.7122 -15.7006 -15.7006 -15.5978 -15.5978 -15.5870 -15.5870 -8.8851 -8.8851 -8.8375 -8.8375 0.8899 0.8899 1.1568 1.1568 2.6414 2.6414 2.8605 2.8605 3.0443 3.0443 3.3611 3.3611 3.6460 3.6460 3.7468 3.7468 9.1261 9.1261 9.2251 9.2251 9.3112 9.3112 9.4776 9.4776 k = 0.0000 0.4634 0.2438 ( 4746 PWs) bands (ev): -34.7489 -34.7489 -34.7443 -34.7443 -16.0726 -16.0726 -16.0604 -16.0604 -15.7110 -15.7110 -15.7023 -15.7023 -15.5966 -15.5966 -15.5884 -15.5884 -8.8770 -8.8770 -8.8412 -8.8412 0.9164 0.9164 1.1160 1.1160 2.6659 2.6659 2.8329 2.8329 3.0813 3.0813 3.3217 3.3217 3.6578 3.6578 3.7331 3.7331 9.1496 9.1496 9.2526 9.2526 9.2908 9.2908 9.4437 9.4437 k = 0.0000 0.4756 0.2438 ( 4730 PWs) bands (ev): -34.7481 -34.7481 -34.7450 -34.7450 -16.0709 -16.0709 -16.0628 -16.0628 -15.7097 -15.7097 -15.7039 -15.7039 -15.5953 -15.5953 -15.5898 -15.5898 -8.8695 -8.8695 -8.8456 -8.8456 0.9447 0.9447 1.0775 1.0775 2.6917 2.6917 2.8042 2.8042 3.1203 3.1203 3.2817 3.2817 3.6698 3.6698 3.7198 3.7198 9.1735 9.1735 9.2665 9.2665 9.2841 9.2841 9.4102 9.4102 k = 0.0000 0.4878 0.2438 ( 4726 PWs) bands (ev): -34.7473 -34.7473 -34.7457 -34.7457 -16.0692 -16.0692 -16.0651 -16.0651 -15.7084 -15.7084 -15.7054 -15.7054 -15.5940 -15.5940 -15.5912 -15.5912 -8.8625 -8.8625 -8.8506 -8.8506 0.9748 0.9748 1.0412 1.0412 2.7187 2.7187 2.7753 2.7753 3.1603 3.1603 3.2413 3.2413 3.6820 3.6820 3.7069 3.7069 9.1974 9.1974 9.2446 9.2446 9.3134 9.3134 9.3772 9.3772 k = 0.0000 0.5000 0.2438 ( 4728 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5926 -15.5926 -15.5926 -15.5926 -8.8563 -8.8563 -8.8563 -8.8563 1.0070 1.0070 1.0070 1.0070 2.7467 2.7467 2.7467 2.7467 3.2007 3.2007 3.2007 3.2007 3.6943 3.6943 3.6943 3.6943 9.2212 9.2212 9.2212 9.2212 9.3448 9.3448 9.3448 9.3448 k = 0.0000 0.5000 0.2438 ( 4728 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5926 -15.5926 -15.5926 -15.5926 -8.8563 -8.8563 -8.8563 -8.8563 1.0070 1.0070 1.0070 1.0070 2.7467 2.7467 2.7467 2.7467 3.2007 3.2007 3.2007 3.2007 3.6943 3.6943 3.6943 3.6943 9.2212 9.2212 9.2212 9.2212 9.3448 9.3448 9.3448 9.3448 k = 0.0122 0.5000 0.2438 ( 4716 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0678 -16.0678 -16.0666 -16.0666 -15.7091 -15.7091 -15.7048 -15.7048 -15.5942 -15.5942 -15.5912 -15.5912 -8.8561 -8.8561 -8.8561 -8.8561 1.0078 1.0078 1.0083 1.0083 2.7452 2.7452 2.7470 2.7470 3.1979 3.1979 3.2030 3.2030 3.6899 3.6899 3.6940 3.6940 9.2218 9.2218 9.2233 9.2233 9.3411 9.3411 9.3440 9.3440 k = 0.0244 0.5000 0.2438 ( 4720 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0684 -16.0684 -16.0659 -16.0659 -15.7113 -15.7113 -15.7028 -15.7028 -15.5959 -15.5959 -15.5900 -15.5900 -8.8555 -8.8555 -8.8555 -8.8555 1.0109 1.0109 1.0119 1.0119 2.7427 2.7427 2.7462 2.7462 3.1945 3.1945 3.2047 3.2047 3.6808 3.6808 3.6891 3.6891 9.2249 9.2249 9.2279 9.2279 9.3330 9.3330 9.3387 9.3387 k = 0.0366 0.5000 0.2438 ( 4732 PWs) bands (ev): -34.7464 -34.7464 -34.7464 -34.7464 -16.0691 -16.0691 -16.0653 -16.0653 -15.7135 -15.7135 -15.7008 -15.7008 -15.5979 -15.5979 -15.5890 -15.5890 -8.8546 -8.8546 -8.8546 -8.8546 1.0161 1.0161 1.0176 1.0176 2.7390 2.7390 2.7443 2.7443 3.1905 3.1905 3.2060 3.2060 3.6670 3.6670 3.6797 3.6797 9.2306 9.2306 9.2350 9.2350 9.3210 9.3210 9.3290 9.3290 k = 0.0488 0.5000 0.2438 ( 4736 PWs) bands (ev): -34.7463 -34.7463 -34.7463 -34.7463 -16.0697 -16.0697 -16.0647 -16.0647 -15.7158 -15.7158 -15.6988 -15.6988 -15.6000 -15.6000 -15.5882 -15.5882 -8.8534 -8.8534 -8.8533 -8.8533 1.0236 1.0236 1.0255 1.0255 2.7341 2.7341 2.7413 2.7413 3.1857 3.1857 3.2069 3.2069 3.6489 3.6489 3.6661 3.6661 9.2385 9.2385 9.2445 9.2445 9.3055 9.3055 9.3155 9.3155 k = 0.0610 0.5000 0.2438 ( 4736 PWs) bands (ev): -34.7463 -34.7463 -34.7463 -34.7463 -16.0702 -16.0702 -16.0640 -16.0640 -15.7180 -15.7180 -15.6969 -15.6969 -15.6023 -15.6023 -15.5875 -15.5875 -8.8518 -8.8518 -8.8517 -8.8517 1.0331 1.0331 1.0356 1.0356 2.7280 2.7280 2.7372 2.7372 3.1800 3.1800 3.2072 3.2072 3.6266 3.6266 3.6487 3.6487 9.2483 9.2483 9.2564 9.2564 9.2875 9.2875 9.2985 9.2985 k = 0.0732 0.5000 0.2438 ( 4732 PWs) bands (ev): -34.7462 -34.7462 -34.7462 -34.7462 -16.0708 -16.0708 -16.0634 -16.0634 -15.7203 -15.7203 -15.6951 -15.6951 -15.6047 -15.6047 -15.5870 -15.5870 -8.8498 -8.8498 -8.8498 -8.8498 1.0448 1.0448 1.0478 1.0478 2.7206 2.7206 2.7318 2.7318 3.1732 3.1732 3.2071 3.2071 3.6006 3.6006 3.6280 3.6280 9.2542 9.2542 9.2699 9.2699 9.2732 9.2732 9.2793 9.2793 k = 0.0854 0.5000 0.2438 ( 4732 PWs) bands (ev): -34.7460 -34.7460 -34.7460 -34.7460 -16.0713 -16.0713 -16.0628 -16.0628 -15.7226 -15.7226 -15.6933 -15.6933 -15.6073 -15.6073 -15.5867 -15.5867 -8.8476 -8.8476 -8.8475 -8.8475 1.0585 1.0585 1.0621 1.0621 2.7119 2.7119 2.7252 2.7252 3.1653 3.1653 3.2064 3.2064 3.5712 3.5712 3.6046 3.6046 9.2374 9.2374 9.2557 9.2557 9.2816 9.2816 9.2876 9.2876 k = 0.0976 0.5000 0.2438 ( 4732 PWs) bands (ev): -34.7459 -34.7459 -34.7459 -34.7459 -16.0719 -16.0719 -16.0622 -16.0622 -15.7250 -15.7250 -15.6915 -15.6915 -15.6101 -15.6101 -15.5865 -15.5865 -8.8450 -8.8450 -8.8449 -8.8449 1.0742 1.0742 1.0784 1.0784 2.7017 2.7017 2.7173 2.7173 3.1561 3.1561 3.2051 3.2051 3.5391 3.5391 3.5790 3.5790 9.2130 9.2130 9.2314 9.2314 9.2983 9.2983 9.3061 9.3061 k = 0.1098 0.5000 0.2438 ( 4732 PWs) bands (ev): -34.7457 -34.7457 -34.7457 -34.7457 -16.0724 -16.0724 -16.0617 -16.0617 -15.7273 -15.7273 -15.6898 -15.6898 -15.6129 -15.6129 -15.5865 -15.5865 -8.8421 -8.8421 -8.8420 -8.8420 1.0919 1.0919 1.0966 1.0966 2.6900 2.6900 2.7081 2.7081 3.1452 3.1452 3.2031 3.2031 3.5047 3.5047 3.5519 3.5519 9.1865 9.1865 9.2055 9.2055 9.3177 9.3177 9.3266 9.3266 k = 0.1220 0.5000 0.2438 ( 4748 PWs) bands (ev): -34.7456 -34.7456 -34.7456 -34.7456 -16.0729 -16.0729 -16.0612 -16.0612 -15.7296 -15.7296 -15.6882 -15.6882 -15.6160 -15.6160 -15.5866 -15.5866 -8.8389 -8.8389 -8.8388 -8.8388 1.1114 1.1114 1.1168 1.1168 2.6767 2.6767 2.6973 2.6973 3.1326 3.1326 3.2003 3.2003 3.4688 3.4688 3.5240 3.5240 9.1588 9.1588 9.1785 9.1785 9.3393 9.3393 9.3491 9.3491 k = 0.1341 0.5000 0.2438 ( 4756 PWs) bands (ev): -34.7454 -34.7454 -34.7454 -34.7454 -16.0734 -16.0734 -16.0607 -16.0607 -15.7318 -15.7318 -15.6866 -15.6866 -15.6191 -15.6191 -15.5869 -15.5869 -8.8355 -8.8355 -8.8354 -8.8354 1.1327 1.1327 1.1388 1.1388 2.6617 2.6617 2.6849 2.6849 3.1182 3.1182 3.1964 3.1964 3.4320 3.4320 3.4961 3.4961 9.1305 9.1305 9.1507 9.1507 9.3630 9.3630 9.3734 9.3734 k = 0.1463 0.5000 0.2438 ( 4768 PWs) bands (ev): -34.7452 -34.7452 -34.7452 -34.7452 -16.0740 -16.0740 -16.0604 -16.0604 -15.7340 -15.7340 -15.6851 -15.6851 -15.6223 -15.6223 -15.5873 -15.5873 -8.8318 -8.8318 -8.8317 -8.8317 1.1557 1.1557 1.1626 1.1626 2.6448 2.6448 2.6707 2.6707 3.1018 3.1018 3.1912 3.1912 3.3951 3.3951 3.4686 3.4686 9.1019 9.1019 9.1225 9.1225 9.3885 9.3885 9.3995 9.3995 k = 0.1585 0.5000 0.2438 ( 4756 PWs) bands (ev): -34.7450 -34.7450 -34.7450 -34.7450 -16.0744 -16.0744 -16.0600 -16.0600 -15.7362 -15.7362 -15.6837 -15.6837 -15.6255 -15.6255 -15.5878 -15.5878 -8.8278 -8.8278 -8.8277 -8.8277 1.1804 1.1804 1.1881 1.1881 2.6260 2.6260 2.6547 2.6547 3.0836 3.0836 3.1843 3.1843 3.3592 3.3592 3.4423 3.4423 9.0732 9.0732 9.0942 9.0942 9.4159 9.4159 9.4273 9.4273 k = 0.1707 0.5000 0.2438 ( 4756 PWs) bands (ev): -34.7448 -34.7448 -34.7448 -34.7448 -16.0749 -16.0749 -16.0597 -16.0597 -15.7382 -15.7382 -15.6823 -15.6823 -15.6289 -15.6289 -15.5885 -15.5885 -8.8237 -8.8237 -8.8236 -8.8236 1.2065 1.2065 1.2151 1.2151 2.6051 2.6051 2.6366 2.6366 3.0636 3.0636 3.1752 3.1752 3.3252 3.3252 3.4173 3.4173 9.0448 9.0448 9.0661 9.0661 9.4449 9.4449 9.4567 9.4567 k = 0.1829 0.5000 0.2438 ( 4760 PWs) bands (ev): -34.7446 -34.7446 -34.7446 -34.7446 -16.0754 -16.0754 -16.0595 -16.0595 -15.7402 -15.7402 -15.6810 -15.6810 -15.6322 -15.6322 -15.5893 -15.5893 -8.8193 -8.8193 -8.8192 -8.8192 1.2339 1.2339 1.2435 1.2435 2.5821 2.5821 2.6165 2.6165 3.0423 3.0423 3.1631 3.1631 3.2943 3.2943 3.3939 3.3939 9.0168 9.0168 9.0383 9.0383 9.4755 9.4755 9.4875 9.4875 k = 0.1951 0.5000 0.2438 ( 4764 PWs) bands (ev): -34.7443 -34.7443 -34.7443 -34.7443 -16.0758 -16.0758 -16.0594 -16.0594 -15.7421 -15.7421 -15.6799 -15.6799 -15.6355 -15.6355 -15.5901 -15.5901 -8.8148 -8.8148 -8.8147 -8.8147 1.2626 1.2626 1.2733 1.2733 2.5570 2.5570 2.5941 2.5941 3.0201 3.0201 3.1476 3.1476 3.2676 3.2676 3.3721 3.3721 8.9895 8.9895 9.0112 9.0112 9.5076 9.5076 9.5199 9.5199 k = 0.2073 0.5000 0.2438 ( 4772 PWs) bands (ev): -34.7441 -34.7441 -34.7441 -34.7441 -16.0763 -16.0763 -16.0593 -16.0593 -15.7438 -15.7438 -15.6788 -15.6788 -15.6388 -15.6388 -15.5911 -15.5911 -8.8102 -8.8102 -8.8101 -8.8101 1.2924 1.2924 1.3043 1.3043 2.5298 2.5298 2.5696 2.5696 2.9975 2.9975 3.1284 3.1284 3.2453 3.2453 3.3518 3.3518 8.9631 8.9631 8.9848 8.9848 9.5410 9.5410 9.5535 9.5535 k = 0.2195 0.5000 0.2438 ( 4768 PWs) bands (ev): -34.7439 -34.7439 -34.7439 -34.7439 -16.0767 -16.0767 -16.0594 -16.0594 -15.7455 -15.7455 -15.6780 -15.6780 -15.6419 -15.6419 -15.5921 -15.5921 -8.8055 -8.8055 -8.8053 -8.8053 1.3231 1.3231 1.3363 1.3363 2.5007 2.5007 2.5430 2.5430 2.9751 2.9751 3.1064 3.1064 3.2270 3.2270 3.3327 3.3327 8.9377 8.9377 8.9595 8.9595 9.5756 9.5756 9.5883 9.5883 k = 0.2317 0.5000 0.2438 ( 4764 PWs) bands (ev): -34.7436 -34.7436 -34.7436 -34.7436 -16.0772 -16.0772 -16.0595 -16.0595 -15.7469 -15.7469 -15.6773 -15.6773 -15.6448 -15.6448 -15.5933 -15.5933 -8.8006 -8.8006 -8.8005 -8.8005 1.3546 1.3546 1.3692 1.3692 2.4699 2.4699 2.5147 2.5147 2.9533 2.9533 3.0830 3.0830 3.2115 3.2115 3.3147 3.3147 8.9135 8.9135 8.9352 8.9352 9.6114 9.6114 9.6242 9.6242 k = 0.2439 0.5000 0.2438 ( 4760 PWs) bands (ev): -34.7434 -34.7434 -34.7434 -34.7434 -16.0776 -16.0776 -16.0598 -16.0598 -15.7483 -15.7483 -15.6770 -15.6770 -15.6474 -15.6474 -15.5945 -15.5945 -8.7957 -8.7957 -8.7956 -8.7956 1.3865 1.3865 1.4027 1.4027 2.4376 2.4376 2.4848 2.4848 2.9325 2.9325 3.0593 3.0593 3.1976 3.1976 3.2973 3.2973 8.8905 8.8905 8.9121 8.9121 9.6480 9.6480 9.6609 9.6609 k = 0.2561 0.5000 0.2438 ( 4760 PWs) bands (ev): -34.7431 -34.7431 -34.7431 -34.7431 -16.0780 -16.0780 -16.0601 -16.0601 -15.7494 -15.7494 -15.6772 -15.6772 -15.6497 -15.6497 -15.5958 -15.5958 -8.7908 -8.7908 -8.7907 -8.7907 1.4188 1.4188 1.4368 1.4368 2.4044 2.4044 2.4538 2.4538 2.9127 2.9127 3.0363 3.0363 3.1845 3.1845 3.2804 3.2804 8.8690 8.8690 8.8904 8.8904 9.6852 9.6852 9.6982 9.6982 k = 0.2683 0.5000 0.2438 ( 4764 PWs) bands (ev): -34.7429 -34.7429 -34.7429 -34.7429 -16.0784 -16.0784 -16.0605 -16.0605 -15.7504 -15.7504 -15.6778 -15.6778 -15.6514 -15.6514 -15.5971 -15.5971 -8.7859 -8.7859 -8.7858 -8.7858 1.4510 1.4510 1.4710 1.4710 2.3707 2.3707 2.4224 2.4224 2.8943 2.8943 3.0144 3.0144 3.1715 3.1715 3.2636 3.2636 8.8489 8.8489 8.8700 8.8700 9.7227 9.7227 9.7358 9.7358 k = 0.2805 0.5000 0.2438 ( 4764 PWs) bands (ev): -34.7426 -34.7426 -34.7426 -34.7426 -16.0788 -16.0788 -16.0611 -16.0611 -15.7512 -15.7512 -15.6791 -15.6791 -15.6525 -15.6525 -15.5985 -15.5985 -8.7810 -8.7810 -8.7809 -8.7809 1.4830 1.4830 1.5052 1.5052 2.3369 2.3369 2.3911 2.3911 2.8772 2.8772 2.9940 2.9940 3.1583 3.1583 3.2470 3.2470 8.8303 8.8303 8.8511 8.8511 9.7604 9.7604 9.7735 9.7735 k = 0.2927 0.5000 0.2438 ( 4768 PWs) bands (ev): -34.7424 -34.7424 -34.7424 -34.7424 -16.0792 -16.0792 -16.0617 -16.0617 -15.7518 -15.7518 -15.6809 -15.6809 -15.6530 -15.6530 -15.6000 -15.6000 -8.7762 -8.7762 -8.7760 -8.7760 1.5143 1.5143 1.5390 1.5390 2.3038 2.3038 2.3604 2.3604 2.8613 2.8613 2.9752 2.9752 3.1446 3.1446 3.2302 3.2302 8.8132 8.8132 8.8336 8.8336 9.7977 9.7977 9.8108 9.8108 k = 0.3049 0.5000 0.2438 ( 4764 PWs) bands (ev): -34.7421 -34.7421 -34.7421 -34.7421 -16.0796 -16.0796 -16.0624 -16.0624 -15.7522 -15.7522 -15.6832 -15.6832 -15.6530 -15.6530 -15.6015 -15.6015 -8.7714 -8.7714 -8.7713 -8.7713 1.5447 1.5447 1.5720 1.5720 2.2719 2.2719 2.3312 2.3312 2.8467 2.8467 2.9578 2.9578 3.1304 3.1304 3.2131 3.2131 8.7977 8.7977 8.8176 8.8176 9.8342 9.8342 9.8473 9.8473 k = 0.3171 0.5000 0.2438 ( 4760 PWs) bands (ev): -34.7419 -34.7419 -34.7419 -34.7419 -16.0799 -16.0799 -16.0632 -16.0632 -15.7523 -15.7523 -15.6858 -15.6858 -15.6526 -15.6526 -15.6031 -15.6031 -8.7668 -8.7668 -8.7667 -8.7667 1.5735 1.5735 1.6037 1.6037 2.2419 2.2419 2.3040 2.3040 2.8332 2.8332 2.9420 2.9420 3.1155 3.1155 3.1958 3.1958 8.7837 8.7837 8.8030 8.8030 9.8695 9.8695 9.8824 9.8824 k = 0.3293 0.5000 0.2438 ( 4748 PWs) bands (ev): -34.7417 -34.7417 -34.7417 -34.7417 -16.0802 -16.0802 -16.0641 -16.0641 -15.7523 -15.7523 -15.6887 -15.6887 -15.6518 -15.6518 -15.6047 -15.6047 -8.7623 -8.7623 -8.7622 -8.7622 1.6005 1.6005 1.6335 1.6335 2.2146 2.2146 2.2795 2.2795 2.8208 2.8208 2.9275 2.9275 3.1001 3.1001 3.1782 3.1782 8.7713 8.7713 8.7899 8.7899 9.9029 9.9029 9.9157 9.9157 k = 0.3415 0.5000 0.2438 ( 4748 PWs) bands (ev): -34.7414 -34.7414 -34.7414 -34.7414 -16.0804 -16.0804 -16.0650 -16.0650 -15.7520 -15.7520 -15.6918 -15.6918 -15.6508 -15.6508 -15.6064 -15.6064 -8.7580 -8.7580 -8.7579 -8.7579 1.6250 1.6250 1.6608 1.6608 2.1908 2.1908 2.2583 2.2583 2.8095 2.8095 2.9142 2.9142 3.0840 3.0840 3.1602 3.1602 8.7603 8.7603 8.7781 8.7781 9.9340 9.9340 9.9465 9.9465 k = 0.3537 0.5000 0.2438 ( 4748 PWs) bands (ev): -34.7412 -34.7412 -34.7412 -34.7412 -16.0806 -16.0806 -16.0660 -16.0660 -15.7516 -15.7516 -15.6951 -15.6951 -15.6497 -15.6497 -15.6081 -15.6081 -8.7538 -8.7538 -8.7537 -8.7537 1.6466 1.6466 1.6848 1.6848 2.1712 2.1712 2.2409 2.2409 2.7992 2.7992 2.9022 2.9022 3.0675 3.0675 3.1419 3.1419 8.7507 8.7507 8.7676 8.7676 9.9621 9.9621 9.9743 9.9743 k = 0.3659 0.5000 0.2438 ( 4752 PWs) bands (ev): -34.7411 -34.7411 -34.7411 -34.7411 -16.0808 -16.0808 -16.0670 -16.0670 -15.7509 -15.7509 -15.6983 -15.6983 -15.6484 -15.6484 -15.6098 -15.6098 -8.7500 -8.7500 -8.7499 -8.7499 1.6649 1.6649 1.7048 1.7048 2.1567 2.1567 2.2278 2.2278 2.7900 2.7900 2.8911 2.8911 3.0507 3.0507 3.1234 3.1234 8.7423 8.7423 8.7583 8.7583 9.9868 9.9868 9.9985 9.9985 k = 0.3780 0.5000 0.2438 ( 4752 PWs) bands (ev): -34.7409 -34.7409 -34.7409 -34.7409 -16.0809 -16.0809 -16.0681 -16.0681 -15.7501 -15.7501 -15.7016 -15.7016 -15.6470 -15.6470 -15.6116 -15.6116 -8.7463 -8.7463 -8.7462 -8.7462 1.6797 1.6797 1.7202 1.7202 2.1478 2.1478 2.2190 2.2190 2.7818 2.7818 2.8808 2.8808 3.0339 3.0339 3.1049 3.1049 8.7353 8.7353 8.7501 8.7501 10.0078 10.0078 10.0189 10.0189 k = 0.3902 0.5000 0.2438 ( 4748 PWs) bands (ev): -34.7407 -34.7407 -34.7407 -34.7407 -16.0809 -16.0809 -16.0692 -16.0692 -15.7490 -15.7490 -15.7049 -15.7049 -15.6455 -15.6455 -15.6134 -15.6134 -8.7429 -8.7429 -8.7428 -8.7428 1.6910 1.6910 1.7307 1.7307 2.1448 2.1448 2.2144 2.2144 2.7747 2.7747 2.8712 2.8712 3.0174 3.0174 3.0863 3.0863 8.7294 8.7294 8.7431 8.7431 10.0251 10.0251 10.0354 10.0354 k = 0.4024 0.5000 0.2438 ( 4752 PWs) bands (ev): -34.7406 -34.7406 -34.7406 -34.7406 -16.0809 -16.0809 -16.0703 -16.0703 -15.7477 -15.7477 -15.7081 -15.7081 -15.6439 -15.6439 -15.6152 -15.6152 -8.7399 -8.7399 -8.7398 -8.7398 1.6990 1.6990 1.7366 1.7366 2.1472 2.1472 2.2136 2.2136 2.7688 2.7688 2.8619 2.8619 3.0016 3.0016 3.0680 3.0680 8.7245 8.7245 8.7369 8.7369 10.0387 10.0387 10.0481 10.0481 k = 0.4146 0.5000 0.2438 ( 4752 PWs) bands (ev): -34.7404 -34.7404 -34.7404 -34.7404 -16.0808 -16.0808 -16.0713 -16.0713 -15.7463 -15.7463 -15.7114 -15.7114 -15.6423 -15.6423 -15.6170 -15.6170 -8.7371 -8.7371 -8.7370 -8.7370 1.7041 1.7041 1.7384 1.7384 2.1542 2.1542 2.2158 2.2158 2.7641 2.7641 2.8527 2.8527 2.9871 2.9871 3.0502 3.0502 8.7206 8.7206 8.7317 8.7317 10.0489 10.0489 10.0573 10.0574 k = 0.4268 0.5000 0.2438 ( 4736 PWs) bands (ev): -34.7403 -34.7403 -34.7403 -34.7403 -16.0805 -16.0805 -16.0724 -16.0724 -15.7447 -15.7447 -15.7145 -15.7145 -15.6406 -15.6406 -15.6188 -15.6188 -8.7346 -8.7346 -8.7346 -8.7346 1.7071 1.7071 1.7371 1.7371 2.1646 2.1646 2.2200 2.2200 2.7610 2.7610 2.8432 2.8432 2.9744 2.9744 3.0330 3.0330 8.7176 8.7176 8.7273 8.7273 10.0563 10.0563 10.0636 10.0636 k = 0.4390 0.5000 0.2438 ( 4744 PWs) bands (ev): -34.7402 -34.7402 -34.7402 -34.7402 -16.0803 -16.0803 -16.0734 -16.0734 -15.7429 -15.7429 -15.7176 -15.7176 -15.6389 -15.6389 -15.6207 -15.6207 -8.7326 -8.7326 -8.7325 -8.7325 1.7086 1.7086 1.7338 1.7338 2.1771 2.1771 2.2251 2.2251 2.7594 2.7594 2.8333 2.8333 2.9642 2.9642 3.0167 3.0167 8.7154 8.7154 8.7235 8.7235 10.0614 10.0614 10.0675 10.0675 k = 0.4512 0.5000 0.2438 ( 4744 PWs) bands (ev): -34.7401 -34.7401 -34.7401 -34.7401 -16.0800 -16.0800 -16.0744 -16.0744 -15.7410 -15.7410 -15.7206 -15.7206 -15.6372 -15.6372 -15.6225 -15.6225 -8.7308 -8.7308 -8.7308 -8.7308 1.7092 1.7092 1.7295 1.7295 2.1903 2.1903 2.2300 2.2300 2.7597 2.7597 2.8227 2.8227 2.9569 2.9569 3.0016 3.0016 8.7138 8.7138 8.7204 8.7204 10.0647 10.0647 10.0697 10.0697 k = 0.4634 0.5000 0.2438 ( 4736 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0795 -16.0795 -16.0753 -16.0753 -15.7389 -15.7389 -15.7235 -15.7235 -15.6354 -15.6354 -15.6244 -15.6244 -8.7295 -8.7295 -8.7294 -8.7294 1.7096 1.7096 1.7248 1.7248 2.2032 2.2032 2.2338 2.2338 2.7619 2.7619 2.8118 2.8118 2.9527 2.9527 2.9880 2.9880 8.7129 8.7129 8.7179 8.7179 10.0669 10.0669 10.0707 10.0707 k = 0.4756 0.5000 0.2438 ( 4724 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0790 -16.0790 -16.0762 -16.0762 -15.7366 -15.7366 -15.7264 -15.7264 -15.6336 -15.6336 -15.6262 -15.6262 -8.7285 -8.7285 -8.7285 -8.7285 1.7103 1.7103 1.7204 1.7204 2.2147 2.2147 2.2355 2.2355 2.7662 2.7662 2.8007 2.8007 2.9517 2.9517 2.9761 2.9761 8.7125 8.7125 8.7159 8.7159 10.0683 10.0683 10.0708 10.0708 k = 0.4878 0.5000 0.2438 ( 4728 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0784 -16.0784 -16.0770 -16.0770 -15.7342 -15.7342 -15.7291 -15.7291 -15.6318 -15.6318 -15.6281 -15.6281 -8.7279 -8.7279 -8.7279 -8.7279 1.7116 1.7116 1.7166 1.7166 2.2241 2.2241 2.2346 2.2346 2.7724 2.7724 2.7901 2.7901 2.9538 2.9538 2.9663 2.9663 8.7126 8.7126 8.7143 8.7143 10.0693 10.0693 10.0705 10.0705 k = 0.5000 0.5000 0.2438 ( 4744 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6300 -15.6300 -15.6300 -15.6300 -8.7277 -8.7277 -8.7277 -8.7277 1.7136 1.7136 1.7136 1.7136 2.2308 2.2308 2.2308 2.2308 2.7805 2.7805 2.7805 2.7805 2.9588 2.9588 2.9588 2.9588 8.7132 8.7132 8.7132 8.7132 10.0699 10.0699 10.0699 10.0699 k = 0.5000 0.5000 0.2438 ( 4744 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6300 -15.6300 -15.6300 -15.6300 -8.7277 -8.7277 -8.7277 -8.7277 1.7136 1.7136 1.7136 1.7136 2.2308 2.2308 2.2308 2.2308 2.7805 2.7805 2.7805 2.7805 2.9588 2.9588 2.9588 2.9588 8.7132 8.7132 8.7132 8.7132 10.0699 10.0699 10.0699 10.0699 k = 0.4914 0.4914 0.2438 ( 4728 PWs) bands (ev): -34.7400 -34.7400 -34.7399 -34.7399 -16.0784 -16.0784 -16.0770 -16.0770 -15.7342 -15.7342 -15.7291 -15.7291 -15.6318 -15.6318 -15.6281 -15.6281 -8.7280 -8.7280 -8.7278 -8.7278 1.7116 1.7116 1.7166 1.7166 2.2237 2.2237 2.2349 2.2349 2.7724 2.7724 2.7901 2.7901 2.9538 2.9538 2.9664 2.9664 8.7120 8.7120 8.7149 8.7149 10.0691 10.0691 10.0708 10.0708 k = 0.4828 0.4828 0.2438 ( 4730 PWs) bands (ev): -34.7401 -34.7401 -34.7399 -34.7399 -16.0790 -16.0790 -16.0762 -16.0762 -15.7366 -15.7366 -15.7264 -15.7264 -15.6336 -15.6336 -15.6262 -15.6262 -8.7289 -8.7289 -8.7280 -8.7280 1.7103 1.7103 1.7205 1.7205 2.2122 2.2122 2.2378 2.2378 2.7660 2.7660 2.8009 2.8009 2.9511 2.9511 2.9768 2.9768 8.7091 8.7091 8.7192 8.7192 10.0671 10.0671 10.0722 10.0722 k = 0.4741 0.4741 0.2438 ( 4730 PWs) bands (ev): -34.7402 -34.7402 -34.7399 -34.7399 -16.0795 -16.0795 -16.0753 -16.0753 -15.7389 -15.7389 -15.7235 -15.7235 -15.6354 -15.6354 -15.6244 -15.6244 -8.7305 -8.7305 -8.7284 -8.7284 1.7099 1.7099 1.7254 1.7254 2.1955 2.1955 2.2406 2.2406 2.7614 2.7614 2.8124 2.8124 2.9506 2.9506 2.9900 2.9900 8.7045 8.7045 8.7263 8.7263 10.0642 10.0642 10.0745 10.0745 k = 0.4655 0.4655 0.2438 ( 4736 PWs) bands (ev): -34.7403 -34.7403 -34.7399 -34.7399 -16.0800 -16.0800 -16.0743 -16.0743 -15.7410 -15.7410 -15.7206 -15.7206 -15.6372 -15.6372 -15.6225 -15.6225 -8.7327 -8.7327 -8.7290 -8.7290 1.7103 1.7103 1.7313 1.7313 2.1736 2.1736 2.2438 2.2438 2.7586 2.7586 2.8242 2.8242 2.9519 2.9519 3.0063 3.0063 8.6981 8.6981 8.7361 8.7361 10.0606 10.0606 10.0775 10.0775 k = 0.4569 0.4569 0.2438 ( 4742 PWs) bands (ev): -34.7406 -34.7406 -34.7398 -34.7398 -16.0804 -16.0804 -16.0733 -16.0733 -15.7429 -15.7429 -15.7176 -15.7176 -15.6390 -15.6390 -15.6206 -15.6206 -8.7355 -8.7355 -8.7297 -8.7297 1.7115 1.7115 1.7381 1.7381 2.1473 2.1473 2.2476 2.2476 2.7574 2.7574 2.8361 2.8361 2.9551 2.9551 3.0253 3.0253 8.6902 8.6902 8.7485 8.7485 10.0567 10.0567 10.0809 10.0809 k = 0.4483 0.4483 0.2438 ( 4738 PWs) bands (ev): -34.7408 -34.7408 -34.7398 -34.7398 -16.0807 -16.0807 -16.0721 -16.0721 -15.7447 -15.7447 -15.7145 -15.7145 -15.6407 -15.6407 -15.6188 -15.6188 -8.7389 -8.7389 -8.7306 -8.7306 1.7136 1.7136 1.7458 1.7458 2.1171 2.1171 2.2521 2.2521 2.7576 2.7576 2.8480 2.8480 2.9599 2.9599 3.0471 3.0471 8.6810 8.6810 8.7636 8.7636 10.0527 10.0527 10.0846 10.0846 k = 0.4397 0.4397 0.2438 ( 4738 PWs) bands (ev): -34.7411 -34.7411 -34.7397 -34.7397 -16.0810 -16.0810 -16.0709 -16.0709 -15.7463 -15.7463 -15.7114 -15.7114 -15.6424 -15.6424 -15.6169 -15.6169 -8.7429 -8.7429 -8.7317 -8.7317 1.7165 1.7165 1.7539 1.7539 2.0840 2.0840 2.2574 2.2574 2.7591 2.7591 2.8596 2.8596 2.9662 2.9662 3.0712 3.0712 8.6707 8.6707 8.7810 8.7810 10.0488 10.0488 10.0884 10.0884 k = 0.4310 0.4310 0.2438 ( 4742 PWs) bands (ev): -34.7415 -34.7415 -34.7396 -34.7396 -16.0812 -16.0812 -16.0696 -16.0696 -15.7478 -15.7478 -15.7081 -15.7081 -15.6441 -15.6441 -15.6150 -15.6150 -8.7475 -8.7475 -8.7329 -8.7329 1.7203 1.7203 1.7621 1.7621 2.0490 2.0490 2.2635 2.2635 2.7616 2.7616 2.8710 2.8710 2.9739 2.9739 3.0973 3.0973 8.6597 8.6597 8.8007 8.8007 10.0450 10.0450 10.0919 10.0919 k = 0.4224 0.4224 0.2438 ( 4742 PWs) bands (ev): -34.7419 -34.7419 -34.7395 -34.7395 -16.0813 -16.0813 -16.0682 -16.0682 -15.7491 -15.7491 -15.7049 -15.7049 -15.6457 -15.6457 -15.6131 -15.6131 -8.7527 -8.7527 -8.7343 -8.7343 1.7250 1.7250 1.7694 1.7694 2.0137 2.0137 2.2704 2.2704 2.7649 2.7649 2.8821 2.8821 2.9829 2.9829 3.1253 3.1253 8.6482 8.6482 8.8225 8.8225 10.0413 10.0413 10.0951 10.0951 k = 0.4138 0.4138 0.2438 ( 4742 PWs) bands (ev): -34.7423 -34.7423 -34.7394 -34.7394 -16.0814 -16.0814 -16.0667 -16.0667 -15.7502 -15.7502 -15.7016 -15.7016 -15.6473 -15.6473 -15.6113 -15.6113 -8.7585 -8.7585 -8.7359 -8.7359 1.7309 1.7309 1.7738 1.7738 1.9804 1.9804 2.2781 2.2781 2.7689 2.7689 2.8930 2.8930 2.9933 2.9933 3.1547 3.1547 8.6365 8.6365 8.8463 8.8463 10.0374 10.0374 10.0977 10.0977 k = 0.4052 0.4052 0.2438 ( 4728 PWs) bands (ev): -34.7428 -34.7428 -34.7393 -34.7393 -16.0815 -16.0815 -16.0651 -16.0651 -15.7511 -15.7511 -15.6982 -15.6982 -15.6488 -15.6488 -15.6094 -15.6094 -8.7649 -8.7649 -8.7377 -8.7377 1.7377 1.7377 1.7721 1.7721 1.9528 1.9528 2.2866 2.2866 2.7734 2.7734 2.9036 2.9036 3.0051 3.0051 3.1854 3.1854 8.6251 8.6251 8.8719 8.8719 10.0328 10.0328 10.0998 10.0998 k = 0.3966 0.3966 0.2438 ( 4740 PWs) bands (ev): -34.7434 -34.7434 -34.7392 -34.7392 -16.0815 -16.0815 -16.0634 -16.0634 -15.7518 -15.7518 -15.6949 -15.6949 -15.6503 -15.6503 -15.6076 -15.6076 -8.7718 -8.7718 -8.7396 -8.7396 1.7448 1.7448 1.7605 1.7605 1.9358 1.9358 2.2959 2.2959 2.7783 2.7783 2.9138 2.9138 3.0181 3.0181 3.2171 3.2171 8.6141 8.6141 8.8990 8.8990 10.0268 10.0268 10.1013 10.1013 k = 0.3879 0.3879 0.2438 ( 4752 PWs) bands (ev): -34.7439 -34.7439 -34.7391 -34.7391 -16.0815 -16.0815 -16.0617 -16.0617 -15.7524 -15.7524 -15.6916 -15.6916 -15.6517 -15.6517 -15.6058 -15.6058 -8.7793 -8.7793 -8.7418 -8.7418 1.7322 1.7322 1.7571 1.7571 1.9318 1.9318 2.3060 2.3060 2.7833 2.7833 2.9237 2.9237 3.0324 3.0324 3.2497 3.2497 8.6039 8.6039 8.9276 8.9276 10.0188 10.0188 10.1023 10.1023 k = 0.3793 0.3793 0.2438 ( 4756 PWs) bands (ev): -34.7445 -34.7445 -34.7390 -34.7390 -16.0815 -16.0815 -16.0598 -16.0598 -15.7527 -15.7527 -15.6883 -15.6883 -15.6529 -15.6529 -15.6040 -15.6040 -8.7873 -8.7873 -8.7441 -8.7441 1.6969 1.6969 1.7673 1.7673 1.9387 1.9387 2.3170 2.3170 2.7884 2.7884 2.9333 2.9333 3.0481 3.0481 3.2831 3.2831 8.5947 8.5947 8.9573 8.9573 10.0080 10.0080 10.1030 10.1030 k = 0.3707 0.3707 0.2438 ( 4760 PWs) bands (ev): -34.7452 -34.7452 -34.7388 -34.7388 -16.0814 -16.0814 -16.0579 -16.0579 -15.7529 -15.7529 -15.6852 -15.6852 -15.6540 -15.6540 -15.6022 -15.6022 -8.7958 -8.7958 -8.7467 -8.7467 1.6545 1.6545 1.7793 1.7793 1.9529 1.9529 2.3287 2.3287 2.7934 2.7934 2.9425 2.9425 3.0651 3.0651 3.3172 3.3172 8.5868 8.5868 8.9880 8.9880 9.9939 9.9939 10.1036 10.1036 k = 0.3621 0.3621 0.2438 ( 4748 PWs) bands (ev): -34.7458 -34.7458 -34.7387 -34.7387 -16.0814 -16.0814 -16.0558 -16.0558 -15.7528 -15.7528 -15.6821 -15.6821 -15.6549 -15.6549 -15.6004 -15.6004 -8.8048 -8.8048 -8.7494 -8.7494 1.6080 1.6080 1.7927 1.7927 1.9717 1.9717 2.3412 2.3412 2.7982 2.7982 2.9514 2.9514 3.0833 3.0833 3.3518 3.3518 8.5804 8.5804 9.0195 9.0195 9.9763 9.9763 10.1044 10.1044 k = 0.3534 0.3534 0.2438 ( 4748 PWs) bands (ev): -34.7465 -34.7465 -34.7385 -34.7385 -16.0813 -16.0813 -16.0537 -16.0537 -15.7526 -15.7526 -15.6793 -15.6793 -15.6555 -15.6555 -15.5987 -15.5987 -8.8142 -8.8142 -8.7524 -8.7524 1.5593 1.5593 1.8075 1.8075 1.9939 1.9939 2.3544 2.3544 2.8026 2.8026 2.9602 2.9602 3.1028 3.1028 3.3870 3.3870 8.5754 8.5754 9.0515 9.0515 9.9549 9.9549 10.1056 10.1056 k = 0.3448 0.3448 0.2438 ( 4754 PWs) bands (ev): -34.7473 -34.7473 -34.7384 -34.7384 -16.0812 -16.0812 -16.0515 -16.0515 -15.7522 -15.7522 -15.6768 -15.6768 -15.6558 -15.6558 -15.5970 -15.5970 -8.8242 -8.8242 -8.7556 -8.7556 1.5091 1.5091 1.8235 1.8235 2.0187 2.0187 2.3684 2.3684 2.8066 2.8066 2.9689 2.9689 3.1234 3.1234 3.4225 3.4225 8.5721 8.5721 9.0840 9.0840 9.9300 9.9300 10.1075 10.1075 k = 0.3362 0.3362 0.2438 ( 4762 PWs) bands (ev): -34.7480 -34.7480 -34.7382 -34.7382 -16.0811 -16.0811 -16.0492 -16.0492 -15.7516 -15.7516 -15.6749 -15.6749 -15.6554 -15.6554 -15.5954 -15.5954 -8.8345 -8.8345 -8.7589 -8.7589 1.4582 1.4582 1.8408 1.8408 2.0455 2.0455 2.3831 2.3831 2.8100 2.8100 2.9776 2.9776 3.1452 3.1452 3.4585 3.4585 8.5705 8.5705 9.1167 9.1167 9.9020 9.9020 10.1105 10.1106 k = 0.3276 0.3276 0.2438 ( 4758 PWs) bands (ev): -34.7488 -34.7488 -34.7381 -34.7381 -16.0810 -16.0810 -16.0468 -16.0468 -15.7509 -15.7509 -15.6735 -15.6735 -15.6544 -15.6544 -15.5937 -15.5937 -8.8453 -8.8453 -8.7625 -8.7625 1.4070 1.4070 1.8592 1.8592 2.0742 2.0742 2.3985 2.3985 2.8129 2.8129 2.9867 2.9867 3.1679 3.1679 3.4947 3.4947 8.5705 8.5705 9.1494 9.1494 9.8715 9.8715 10.1149 10.1149 k = 0.3190 0.3190 0.2438 ( 4756 PWs) bands (ev): -34.7496 -34.7496 -34.7379 -34.7379 -16.0809 -16.0809 -16.0443 -16.0443 -15.7500 -15.7500 -15.6728 -15.6728 -15.6527 -15.6527 -15.5921 -15.5921 -8.8564 -8.8564 -8.7663 -8.7663 1.3558 1.3558 1.8785 1.8785 2.1046 2.1046 2.4145 2.4145 2.8153 2.8153 2.9960 2.9960 3.1916 3.1916 3.5311 3.5311 8.5721 8.5721 9.1819 9.1819 9.8392 9.8392 10.1209 10.1209 k = 0.3103 0.3103 0.2438 ( 4760 PWs) bands (ev): -34.7505 -34.7505 -34.7377 -34.7377 -16.0808 -16.0808 -16.0417 -16.0417 -15.7489 -15.7489 -15.6726 -15.6726 -15.6504 -15.6504 -15.5906 -15.5906 -8.8679 -8.8679 -8.7703 -8.7703 1.3048 1.3048 1.8985 1.8985 2.1364 2.1364 2.4311 2.4311 2.8173 2.8173 3.0059 3.0059 3.2161 3.2161 3.5677 3.5677 8.5751 8.5751 9.2141 9.2141 9.8055 9.8055 10.0878 10.0880 k = 0.3017 0.3017 0.2438 ( 4752 PWs) bands (ev): -34.7513 -34.7513 -34.7375 -34.7375 -16.0808 -16.0808 -16.0390 -16.0390 -15.7477 -15.7477 -15.6728 -15.6728 -15.6476 -15.6476 -15.5890 -15.5890 -8.8797 -8.8797 -8.7746 -8.7746 1.2542 1.2542 1.9189 1.9189 2.1697 2.1697 2.4483 2.4483 2.8191 2.8191 3.0162 3.0162 3.2414 3.2414 3.6045 3.6045 8.5796 8.5796 9.2460 9.2460 9.7711 9.7711 10.0379 10.0379 k = 0.2931 0.2931 0.2438 ( 4744 PWs) bands (ev): -34.7522 -34.7522 -34.7374 -34.7374 -16.0807 -16.0807 -16.0363 -16.0363 -15.7463 -15.7463 -15.6731 -15.6731 -15.6446 -15.6446 -15.5875 -15.5875 -8.8918 -8.8918 -8.7790 -8.7790 1.2042 1.2042 1.9396 1.9396 2.2042 2.2042 2.4661 2.4661 2.8212 2.8212 3.0272 3.0272 3.2673 3.2673 3.6412 3.6412 8.5852 8.5852 9.2774 9.2774 9.7363 9.7363 9.9875 9.9875 k = 0.2845 0.2845 0.2438 ( 4736 PWs) bands (ev): -34.7531 -34.7531 -34.7372 -34.7372 -16.0806 -16.0806 -16.0334 -16.0334 -15.7449 -15.7449 -15.6736 -15.6736 -15.6414 -15.6414 -15.5861 -15.5861 -8.9041 -8.9041 -8.7836 -8.7836 1.1549 1.1549 1.9600 1.9600 2.2400 2.2400 2.4843 2.4843 2.8237 2.8237 3.0388 3.0388 3.2938 3.2938 3.6779 3.6779 8.5920 8.5920 9.3083 9.3083 9.7014 9.7014 9.9369 9.9369 k = 0.2759 0.2759 0.2438 ( 4740 PWs) bands (ev): -34.7540 -34.7540 -34.7370 -34.7370 -16.0806 -16.0806 -16.0305 -16.0305 -15.7434 -15.7434 -15.6742 -15.6742 -15.6382 -15.6382 -15.5847 -15.5847 -8.9166 -8.9166 -8.7884 -8.7884 1.1066 1.1066 1.9799 1.9799 2.2768 2.2768 2.5030 2.5030 2.8273 2.8273 3.0509 3.0509 3.3208 3.3208 3.7145 3.7145 8.5995 8.5995 9.3385 9.3385 9.6665 9.6665 9.8858 9.8858 k = 0.2672 0.2672 0.2438 ( 4728 PWs) bands (ev): -34.7549 -34.7549 -34.7368 -34.7368 -16.0805 -16.0805 -16.0276 -16.0276 -15.7418 -15.7418 -15.6747 -15.6747 -15.6348 -15.6348 -15.5833 -15.5833 -8.9293 -8.9293 -8.7934 -8.7934 1.0593 1.0593 1.9987 1.9987 2.3147 2.3147 2.5222 2.5222 2.8324 2.8324 3.0636 3.0636 3.3481 3.3481 3.7509 3.7509 8.6079 8.6079 9.3682 9.3682 9.6318 9.6318 9.8343 9.8343 k = 0.2586 0.2586 0.2438 ( 4734 PWs) bands (ev): -34.7558 -34.7558 -34.7366 -34.7366 -16.0805 -16.0805 -16.0246 -16.0246 -15.7402 -15.7402 -15.6751 -15.6751 -15.6315 -15.6315 -15.5819 -15.5819 -8.9421 -8.9421 -8.7986 -8.7986 1.0130 1.0130 2.0160 2.0160 2.3535 2.3535 2.5418 2.5418 2.8394 2.8394 3.0768 3.0768 3.3757 3.3757 3.7871 3.7871 8.6168 8.6168 9.3973 9.3973 9.5971 9.5971 9.7824 9.7824 k = 0.2500 0.2500 0.2438 ( 4740 PWs) bands (ev): -34.7567 -34.7567 -34.7364 -34.7364 -16.0805 -16.0805 -16.0215 -16.0215 -15.7385 -15.7385 -15.6755 -15.6755 -15.6282 -15.6282 -15.5806 -15.5806 -8.9551 -8.9551 -8.8039 -8.8039 0.9680 0.9680 2.0314 2.0314 2.3932 2.3932 2.5619 2.5619 2.8490 2.8490 3.0905 3.0905 3.4034 3.4034 3.8229 3.8229 8.6262 8.6262 9.4257 9.4257 9.5623 9.5623 9.7300 9.7300 k = 0.2414 0.2414 0.2438 ( 4740 PWs) bands (ev): -34.7576 -34.7576 -34.7362 -34.7362 -16.0805 -16.0805 -16.0184 -16.0184 -15.7369 -15.7369 -15.6758 -15.6758 -15.6249 -15.6249 -15.5793 -15.5793 -8.9681 -8.9681 -8.8094 -8.8094 0.9242 0.9242 2.0443 2.0443 2.4334 2.4334 2.5826 2.5826 2.8615 2.8615 3.1047 3.1047 3.4312 3.4312 3.8583 3.8583 8.6360 8.6360 9.4536 9.4536 9.5275 9.5275 9.6771 9.6772 k = 0.2328 0.2328 0.2438 ( 4742 PWs) bands (ev): -34.7585 -34.7585 -34.7360 -34.7360 -16.0806 -16.0806 -16.0153 -16.0153 -15.7353 -15.7353 -15.6759 -15.6759 -15.6216 -15.6216 -15.5781 -15.5781 -8.9811 -8.9811 -8.8150 -8.8150 0.8818 0.8818 2.0544 2.0544 2.4742 2.4742 2.6040 2.6040 2.8772 2.8772 3.1192 3.1192 3.4589 3.4589 3.8933 3.8933 8.6461 8.6461 9.4780 9.4780 9.4950 9.4950 9.6239 9.6239 k = 0.2241 0.2241 0.2438 ( 4738 PWs) bands (ev): -34.7594 -34.7594 -34.7359 -34.7359 -16.0806 -16.0806 -16.0121 -16.0121 -15.7337 -15.7337 -15.6759 -15.6759 -15.6184 -15.6184 -15.5768 -15.5768 -8.9941 -8.9941 -8.8207 -8.8207 0.8408 0.8408 2.0614 2.0614 2.5153 2.5153 2.6263 2.6263 2.8963 2.8963 3.1342 3.1342 3.4865 3.4865 3.9277 3.9277 8.6566 8.6566 9.4532 9.4532 9.5107 9.5107 9.5702 9.5702 k = 0.2155 0.2155 0.2438 ( 4736 PWs) bands (ev): -34.7603 -34.7603 -34.7357 -34.7357 -16.0806 -16.0806 -16.0089 -16.0089 -15.7323 -15.7323 -15.6757 -15.6757 -15.6154 -15.6154 -15.5755 -15.5755 -9.0070 -9.0070 -8.8266 -8.8266 0.8013 0.8013 2.0652 2.0652 2.5565 2.5565 2.6495 2.6495 2.9189 2.9189 3.1494 3.1494 3.5137 3.5137 3.9614 3.9614 8.6674 8.6674 9.4157 9.4157 9.5161 9.5161 9.5374 9.5374 k = 0.2069 0.2069 0.2438 ( 4734 PWs) bands (ev): -34.7611 -34.7611 -34.7355 -34.7355 -16.0807 -16.0807 -16.0057 -16.0057 -15.7310 -15.7310 -15.6753 -15.6753 -15.6125 -15.6125 -15.5742 -15.5742 -9.0198 -9.0198 -8.8325 -8.8325 0.7633 0.7633 2.0659 2.0659 2.5975 2.5975 2.6739 2.6739 2.9448 2.9448 3.1650 3.1650 3.5406 3.5406 3.9945 3.9945 8.6785 8.6785 9.3764 9.3764 9.4618 9.4618 9.5638 9.5638 k = 0.1983 0.1983 0.2438 ( 4736 PWs) bands (ev): -34.7620 -34.7620 -34.7353 -34.7353 -16.0808 -16.0808 -16.0025 -16.0025 -15.7298 -15.7298 -15.6748 -15.6748 -15.6097 -15.6097 -15.5729 -15.5729 -9.0325 -9.0325 -8.8385 -8.8385 0.7268 0.7268 2.0635 2.0635 2.6379 2.6379 2.6997 2.6997 2.9739 2.9739 3.1808 3.1808 3.5671 3.5671 4.0268 4.0268 8.6901 8.6901 9.3353 9.3353 9.4072 9.4072 9.5864 9.5864 k = 0.1897 0.1897 0.2438 ( 4738 PWs) bands (ev): -34.7629 -34.7629 -34.7351 -34.7351 -16.0808 -16.0808 -15.9993 -15.9993 -15.7287 -15.7287 -15.6740 -15.6740 -15.6071 -15.6071 -15.5715 -15.5715 -9.0449 -9.0449 -8.8445 -8.8445 0.6919 0.6919 2.0584 2.0584 2.6773 2.6773 2.7269 2.7269 3.0059 3.0059 3.1969 3.1969 3.5929 3.5929 4.0582 4.0582 8.7023 8.7023 9.2924 9.2924 9.3527 9.3527 9.5671 9.5671 k = 0.1810 0.1810 0.2438 ( 4734 PWs) bands (ev): -34.7637 -34.7637 -34.7350 -34.7350 -16.0809 -16.0809 -15.9962 -15.9962 -15.7279 -15.7279 -15.6730 -15.6730 -15.6047 -15.6047 -15.5700 -15.5700 -9.0572 -9.0572 -8.8505 -8.8505 0.6586 0.6586 2.0508 2.0508 2.7149 2.7149 2.7561 2.7561 3.0404 3.0404 3.2132 3.2132 3.6182 3.6182 4.0887 4.0887 8.7150 8.7150 9.2478 9.2478 9.2982 9.2982 9.5315 9.5315 k = 0.1724 0.1724 0.2438 ( 4730 PWs) bands (ev): -34.7645 -34.7645 -34.7348 -34.7348 -16.0810 -16.0810 -15.9930 -15.9930 -15.7272 -15.7272 -15.6718 -15.6718 -15.6026 -15.6026 -15.5685 -15.5685 -9.0692 -9.0692 -8.8565 -8.8565 0.6270 0.6270 2.0411 2.0411 2.7502 2.7502 2.7876 2.7876 3.0770 3.0770 3.2297 3.2297 3.6428 3.6428 4.1183 4.1183 8.7284 8.7284 9.2019 9.2019 9.2438 9.2438 9.4974 9.4974 k = 0.1638 0.1638 0.2438 ( 4730 PWs) bands (ev): -34.7653 -34.7653 -34.7346 -34.7346 -16.0810 -16.0810 -15.9899 -15.9899 -15.7267 -15.7267 -15.6704 -15.6704 -15.6006 -15.6006 -15.5669 -15.5669 -9.0809 -9.0809 -8.8624 -8.8624 0.5969 0.5969 2.0298 2.0298 2.7829 2.7829 2.8211 2.8211 3.1153 3.1153 3.2464 3.2464 3.6667 3.6667 4.1468 4.1468 8.7425 8.7425 9.1549 9.1549 9.1897 9.1897 9.4656 9.4656 k = 0.1552 0.1552 0.2438 ( 4734 PWs) bands (ev): -34.7661 -34.7661 -34.7345 -34.7345 -16.0811 -16.0811 -15.9869 -15.9869 -15.7263 -15.7263 -15.6688 -15.6688 -15.5990 -15.5990 -15.5652 -15.5652 -9.0922 -9.0922 -8.8683 -8.8683 0.5685 0.5685 2.0171 2.0171 2.8137 2.8137 2.8558 2.8558 3.1546 3.1546 3.2633 3.2633 3.6899 3.6899 4.1742 4.1742 8.7571 8.7571 9.1074 9.1074 9.1362 9.1362 9.4363 9.4363 k = 0.1466 0.1466 0.2438 ( 4738 PWs) bands (ev): -34.7668 -34.7668 -34.7343 -34.7343 -16.0812 -16.0812 -15.9839 -15.9839 -15.7261 -15.7261 -15.6672 -15.6672 -15.5975 -15.5975 -15.5634 -15.5634 -9.1031 -9.1031 -8.8741 -8.8741 0.5417 0.5417 2.0034 2.0034 2.8431 2.8431 2.8907 2.8907 3.1946 3.1946 3.2805 3.2805 3.7123 3.7123 4.2005 4.2005 8.7717 8.7717 9.0603 9.0603 9.0836 9.0836 9.4097 9.4098 k = 0.1379 0.1379 0.2438 ( 4734 PWs) bands (ev): -34.7675 -34.7675 -34.7342 -34.7342 -16.0813 -16.0813 -15.9810 -15.9810 -15.7260 -15.7260 -15.6654 -15.6654 -15.5963 -15.5963 -15.5615 -15.5615 -9.1137 -9.1137 -8.8797 -8.8797 0.5165 0.5165 1.9891 1.9891 2.8717 2.8717 2.9248 2.9248 3.2345 3.2345 3.2978 3.2978 3.7341 3.7341 4.2256 4.2256 8.7854 8.7854 9.0146 9.0146 9.0327 9.0327 9.3859 9.3859 k = 0.1293 0.1293 0.2438 ( 4748 PWs) bands (ev): -34.7682 -34.7682 -34.7340 -34.7340 -16.0814 -16.0814 -15.9782 -15.9782 -15.7261 -15.7261 -15.6635 -15.6635 -15.5954 -15.5954 -15.5597 -15.5597 -9.1238 -9.1238 -8.8852 -8.8852 0.4929 0.4929 1.9745 1.9745 2.8997 2.8997 2.9578 2.9578 3.2737 3.2737 3.3153 3.3153 3.7552 3.7552 4.2494 4.2494 8.7955 8.7955 8.9702 8.9702 8.9867 8.9867 9.3647 9.3647 k = 0.1207 0.1207 0.2438 ( 4756 PWs) bands (ev): -34.7688 -34.7688 -34.7339 -34.7339 -16.0815 -16.0815 -15.9755 -15.9755 -15.7262 -15.7262 -15.6616 -15.6616 -15.5947 -15.5947 -15.5578 -15.5578 -9.1333 -9.1333 -8.8905 -8.8905 0.4710 0.4710 1.9598 1.9598 2.9270 2.9270 2.9892 2.9892 3.3114 3.3114 3.3333 3.3333 3.7758 3.7758 4.2720 4.2720 8.7970 8.7970 8.9240 8.9240 8.9551 8.9551 9.3462 9.3462 k = 0.1121 0.1121 0.2438 ( 4754 PWs) bands (ev): -34.7694 -34.7694 -34.7338 -34.7338 -16.0816 -16.0816 -15.9728 -15.9728 -15.7264 -15.7264 -15.6596 -15.6596 -15.5941 -15.5941 -15.5559 -15.5559 -9.1424 -9.1424 -8.8956 -8.8956 0.4507 0.4507 1.9452 1.9452 2.9536 2.9536 3.0188 3.0188 3.3444 3.3444 3.3543 3.3543 3.7959 3.7959 4.2932 4.2932 8.7834 8.7834 8.8769 8.8769 8.9440 8.9440 9.3304 9.3304 k = 0.1034 0.1034 0.2438 ( 4750 PWs) bands (ev): -34.7700 -34.7700 -34.7337 -34.7337 -16.0816 -16.0816 -15.9704 -15.9704 -15.7266 -15.7266 -15.6577 -15.6577 -15.5938 -15.5938 -15.5540 -15.5540 -9.1510 -9.1510 -8.9004 -8.9004 0.4319 0.4319 1.9310 1.9310 2.9795 2.9795 3.0464 3.0464 3.3656 3.3656 3.3849 3.3849 3.8156 3.8156 4.3131 4.3131 8.7555 8.7555 8.8309 8.8309 8.9513 8.9513 9.3171 9.3171 k = 0.0948 0.0948 0.2438 ( 4754 PWs) bands (ev): -34.7705 -34.7705 -34.7336 -34.7336 -16.0817 -16.0817 -15.9680 -15.9680 -15.7269 -15.7269 -15.6557 -15.6557 -15.5935 -15.5935 -15.5522 -15.5522 -9.1589 -9.1589 -8.9050 -8.9050 0.4148 0.4148 1.9174 1.9174 3.0045 3.0045 3.0718 3.0718 3.3834 3.3834 3.4159 3.4159 3.8349 3.8349 4.3316 4.3316 8.7202 8.7202 8.7870 8.7870 8.9701 8.9701 9.3062 9.3062 k = 0.0862 0.0862 0.2438 ( 4746 PWs) bands (ev): -34.7710 -34.7710 -34.7335 -34.7335 -16.0818 -16.0818 -15.9658 -15.9658 -15.7272 -15.7272 -15.6538 -15.6538 -15.5934 -15.5934 -15.5504 -15.5504 -9.1663 -9.1663 -8.9093 -8.9093 0.3992 0.3992 1.9044 1.9044 3.0284 3.0284 3.0950 3.0950 3.4004 3.4004 3.4443 3.4443 3.8539 3.8539 4.3486 4.3486 8.6826 8.6826 8.7456 8.7456 8.9955 8.9955 9.2975 9.2975 k = 0.0776 0.0776 0.2438 ( 4754 PWs) bands (ev): -34.7715 -34.7715 -34.7334 -34.7334 -16.0818 -16.0818 -15.9639 -15.9639 -15.7276 -15.7276 -15.6520 -15.6520 -15.5934 -15.5934 -15.5488 -15.5488 -9.1730 -9.1730 -8.9132 -8.9132 0.3851 0.3851 1.8923 1.8923 3.0510 3.0510 3.1158 3.1158 3.4168 3.4168 3.4695 3.4695 3.8725 3.8725 4.3642 4.3642 8.6453 8.6453 8.7070 8.7070 9.0248 9.0248 9.2907 9.2907 k = 0.0690 0.0690 0.2438 ( 4750 PWs) bands (ev): -34.7719 -34.7719 -34.7333 -34.7333 -16.0819 -16.0819 -15.9620 -15.9620 -15.7279 -15.7279 -15.6503 -15.6503 -15.5935 -15.5935 -15.5473 -15.5473 -9.1791 -9.1791 -8.9168 -8.9168 0.3726 0.3726 1.8812 1.8812 3.0722 3.0722 3.1343 3.1343 3.4323 3.4323 3.4912 3.4912 3.8904 3.8904 4.3783 4.3783 8.6098 8.6098 8.6717 8.6717 9.0570 9.0570 9.2858 9.2858 k = 0.0603 0.0603 0.2438 ( 4750 PWs) bands (ev): -34.7722 -34.7722 -34.7332 -34.7332 -16.0819 -16.0819 -15.9603 -15.9603 -15.7282 -15.7282 -15.6488 -15.6488 -15.5936 -15.5936 -15.5459 -15.5459 -9.1845 -9.1845 -8.9201 -8.9201 0.3616 0.3616 1.8711 1.8711 3.0917 3.0917 3.1505 3.1505 3.4468 3.4468 3.5096 3.5096 3.9074 3.9074 4.3909 4.3909 8.5769 8.5769 8.6398 8.6398 9.0911 9.0911 9.2823 9.2823 k = 0.0517 0.0517 0.2438 ( 4756 PWs) bands (ev): -34.7726 -34.7726 -34.7332 -34.7332 -16.0820 -16.0820 -15.9589 -15.9589 -15.7286 -15.7286 -15.6474 -15.6474 -15.5938 -15.5938 -15.5446 -15.5446 -9.1892 -9.1892 -8.9229 -8.9229 0.3521 0.3521 1.8622 1.8622 3.1093 3.1093 3.1643 3.1643 3.4599 3.4599 3.5246 3.5246 3.9232 3.9232 4.4019 4.4019 8.5474 8.5474 8.6115 8.6115 9.1263 9.1263 9.2801 9.2801 k = 0.0431 0.0431 0.2438 ( 4776 PWs) bands (ev): -34.7728 -34.7728 -34.7331 -34.7331 -16.0821 -16.0821 -15.9577 -15.9577 -15.7289 -15.7289 -15.6462 -15.6462 -15.5940 -15.5940 -15.5436 -15.5436 -9.1932 -9.1932 -8.9253 -8.9253 0.3440 0.3440 1.8546 1.8546 3.1247 3.1247 3.1759 3.1759 3.4716 3.4716 3.5366 3.5366 3.9375 3.9375 4.4113 4.4113 8.5216 8.5216 8.5872 8.5872 9.1616 9.1616 9.2789 9.2789 k = 0.0345 0.0345 0.2438 ( 4764 PWs) bands (ev): -34.7730 -34.7730 -34.7331 -34.7331 -16.0821 -16.0821 -15.9566 -15.9566 -15.7291 -15.7291 -15.6451 -15.6451 -15.5942 -15.5942 -15.5427 -15.5427 -9.1966 -9.1966 -8.9273 -8.9273 0.3375 0.3375 1.8483 1.8483 3.1377 3.1377 3.1853 3.1853 3.4815 3.4815 3.5459 3.5459 3.9498 3.9498 4.4191 4.4191 8.5000 8.5000 8.5671 8.5671 9.1958 9.1958 9.2785 9.2785 k = 0.0259 0.0259 0.2438 ( 4760 PWs) bands (ev): -34.7732 -34.7732 -34.7330 -34.7330 -16.0821 -16.0821 -15.9558 -15.9558 -15.7293 -15.7293 -15.6442 -15.6442 -15.5943 -15.5943 -15.5420 -15.5420 -9.1991 -9.1991 -8.9289 -8.9289 0.3324 0.3324 1.8433 1.8433 3.1481 3.1481 3.1925 3.1925 3.4894 3.4894 3.5527 3.5527 3.9597 3.9597 4.4251 4.4251 8.4829 8.4829 8.5513 8.5513 9.2268 9.2268 9.2787 9.2787 k = 0.0172 0.0172 0.2438 ( 4768 PWs) bands (ev): -34.7733 -34.7733 -34.7330 -34.7330 -16.0822 -16.0822 -15.9552 -15.9552 -15.7295 -15.7295 -15.6436 -15.6436 -15.5945 -15.5945 -15.5415 -15.5415 -9.2010 -9.2010 -8.9301 -8.9301 0.3288 0.3288 1.8397 1.8397 3.1557 3.1557 3.1977 3.1977 3.4951 3.4951 3.5573 3.5573 3.9671 3.9671 4.4295 4.4295 8.4705 8.4705 8.5398 8.5398 9.2518 9.2518 9.2798 9.2798 k = 0.0086 0.0086 0.2438 ( 4768 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9549 -15.9549 -15.7296 -15.7296 -15.6433 -15.6433 -15.5945 -15.5945 -15.5412 -15.5412 -9.2021 -9.2021 -8.9307 -8.9307 0.3266 0.3266 1.8375 1.8375 3.1603 3.1603 3.2008 3.2008 3.4986 3.4986 3.5600 3.5600 3.9716 3.9716 4.4321 4.4321 8.4630 8.4630 8.5330 8.5330 9.2664 9.2664 9.2829 9.2829 k = 0.0000 0.0000 0.2438 ( 4778 PWs) bands (ev): -34.7734 -34.7734 -34.7330 -34.7330 -16.0822 -16.0822 -15.9547 -15.9547 -15.7296 -15.7296 -15.6432 -15.6432 -15.5946 -15.5946 -15.5411 -15.5411 -9.2025 -9.2025 -8.9310 -8.9310 0.3259 0.3259 1.8368 1.8368 3.1619 3.1619 3.2018 3.2018 3.4998 3.4998 3.5609 3.5609 3.9731 3.9731 4.4330 4.4330 8.4605 8.4605 8.5307 8.5307 9.2701 9.2701 9.2856 9.2856 k = 0.0000 0.5000-0.0000 ( 4756 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8571 -8.8571 -8.8571 -8.8571 1.2329 1.2329 1.2329 1.2329 2.0438 2.0438 2.0438 2.0438 3.5852 3.5852 3.5852 3.5852 3.9128 3.9128 3.9128 3.9128 8.8026 8.8026 8.8026 8.8026 9.2510 9.2510 9.2510 9.2510 k = 0.0000 0.5000 0.0122 ( 4754 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8571 -8.8571 -8.8571 -8.8571 1.2308 1.2308 1.2308 1.2308 2.0476 2.0476 2.0476 2.0476 3.5846 3.5846 3.5846 3.5846 3.9107 3.9107 3.9107 3.9107 8.8051 8.8051 8.8051 8.8051 9.2515 9.2515 9.2515 9.2515 k = 0.0000 0.5000 0.0244 ( 4758 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7070 -15.7070 -15.7070 -15.7070 -15.5929 -15.5929 -15.5929 -15.5929 -8.8571 -8.8571 -8.8571 -8.8571 1.2248 1.2248 1.2248 1.2248 2.0587 2.0587 2.0587 2.0587 3.5831 3.5831 3.5831 3.5831 3.9047 3.9047 3.9047 3.9047 8.8126 8.8126 8.8126 8.8126 9.2531 9.2531 9.2531 9.2531 k = 0.0000 0.5000 0.0366 ( 4748 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8570 -8.8570 -8.8570 -8.8570 1.2153 1.2153 1.2153 1.2153 2.0769 2.0769 2.0769 2.0769 3.5803 3.5803 3.5803 3.5803 3.8948 3.8948 3.8948 3.8948 8.8250 8.8250 8.8250 8.8250 9.2557 9.2557 9.2557 9.2557 k = 0.0000 0.5000 0.0488 ( 4752 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8570 -8.8570 -8.8570 -8.8570 1.2028 1.2028 1.2028 1.2028 2.1014 2.1014 2.1014 2.1014 3.5763 3.5763 3.5763 3.5763 3.8814 3.8814 3.8814 3.8814 8.8419 8.8419 8.8419 8.8419 9.2593 9.2593 9.2593 9.2593 k = 0.0000 0.5000 0.0610 ( 4740 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0670 -16.0670 -16.0670 -16.0670 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8570 -8.8570 -8.8570 -8.8570 1.1881 1.1881 1.1881 1.1881 2.1316 2.1316 2.1316 2.1316 3.5706 3.5706 3.5706 3.5706 3.8650 3.8650 3.8650 3.8650 8.8629 8.8629 8.8629 8.8629 9.2638 9.2638 9.2638 9.2638 k = 0.0000 0.5000 0.0732 ( 4744 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7069 -15.7069 -15.7069 -15.7069 -15.5929 -15.5929 -15.5929 -15.5929 -8.8569 -8.8569 -8.8569 -8.8569 1.1716 1.1716 1.1716 1.1716 2.1667 2.1667 2.1667 2.1667 3.5629 3.5629 3.5629 3.5629 3.8462 3.8462 3.8462 3.8462 8.8876 8.8876 8.8876 8.8876 9.2691 9.2691 9.2691 9.2691 k = 0.0000 0.5000 0.0853 ( 4740 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7069 -15.7069 -15.7069 -15.7069 -15.5928 -15.5928 -15.5928 -15.5928 -8.8569 -8.8569 -8.8569 -8.8569 1.1542 1.1542 1.1542 1.1542 2.2060 2.2060 2.2060 2.2060 3.5526 3.5526 3.5526 3.5526 3.8258 3.8258 3.8258 3.8258 8.9154 8.9154 8.9154 8.9154 9.2751 9.2751 9.2751 9.2751 k = 0.0000 0.5000 0.0975 ( 4750 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7070 -15.7070 -15.7070 -15.7070 -15.5928 -15.5928 -15.5928 -15.5928 -8.8568 -8.8568 -8.8568 -8.8568 1.1364 1.1364 1.1364 1.1364 2.2488 2.2488 2.2488 2.2488 3.5392 3.5392 3.5392 3.5392 3.8049 3.8049 3.8049 3.8049 8.9456 8.9456 8.9456 8.9456 9.2817 9.2817 9.2817 9.2817 k = 0.0000 0.5000 0.1097 ( 4750 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7070 -15.7070 -15.7070 -15.7070 -15.5928 -15.5928 -15.5928 -15.5928 -8.8567 -8.8567 -8.8567 -8.8567 1.1186 1.1186 1.1186 1.1186 2.2944 2.2944 2.2944 2.2944 3.5220 3.5220 3.5220 3.5220 3.7845 3.7845 3.7845 3.7845 8.9775 8.9775 8.9775 8.9775 9.2886 9.2886 9.2886 9.2886 k = 0.0000 0.5000 0.1219 ( 4750 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0671 -16.0671 -16.0671 -16.0671 -15.7070 -15.7070 -15.7070 -15.7070 -15.5928 -15.5928 -15.5928 -15.5928 -8.8567 -8.8567 -8.8567 -8.8567 1.1013 1.1013 1.1013 1.1013 2.3423 2.3423 2.3423 2.3423 3.5004 3.5004 3.5004 3.5004 3.7656 3.7656 3.7656 3.7656 9.0104 9.0104 9.0104 9.0104 9.2959 9.2959 9.2959 9.2959 k = 0.0000 0.5000 0.1341 ( 4744 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7070 -15.7070 -15.7070 -15.7070 -15.5928 -15.5928 -15.5928 -15.5928 -8.8566 -8.8566 -8.8566 -8.8566 1.0848 1.0848 1.0848 1.0848 2.3919 2.3919 2.3919 2.3919 3.4742 3.4742 3.4742 3.4742 3.7490 3.7490 3.7490 3.7490 9.0433 9.0433 9.0433 9.0433 9.3033 9.3033 9.3033 9.3033 k = 0.0000 0.5000 0.1463 ( 4740 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5927 -15.5927 -15.5927 -15.5927 -8.8565 -8.8565 -8.8565 -8.8565 1.0695 1.0695 1.0695 1.0695 2.4426 2.4426 2.4426 2.4426 3.4434 3.4434 3.4434 3.4434 3.7350 3.7350 3.7350 3.7350 9.0756 9.0756 9.0756 9.0756 9.3106 9.3106 9.3106 9.3106 k = 0.0000 0.5000 0.1585 ( 4732 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5927 -15.5927 -15.5927 -15.5927 -8.8565 -8.8565 -8.8565 -8.8565 1.0555 1.0555 1.0555 1.0555 2.4936 2.4936 2.4936 2.4936 3.4088 3.4088 3.4088 3.4088 3.7236 3.7236 3.7236 3.7236 9.1062 9.1062 9.1062 9.1062 9.3176 9.3176 9.3176 9.3176 k = 0.0000 0.5000 0.1707 ( 4748 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7070 -15.7070 -15.7070 -15.7070 -15.5927 -15.5927 -15.5927 -15.5927 -8.8564 -8.8564 -8.8564 -8.8564 1.0430 1.0430 1.0430 1.0430 2.5443 2.5443 2.5443 2.5443 3.3715 3.3715 3.3715 3.3715 3.7146 3.7146 3.7146 3.7146 9.1344 9.1344 9.1344 9.1344 9.3241 9.3241 9.3241 9.3241 k = 0.0000 0.5000 0.1829 ( 4748 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7070 -15.7070 -15.7070 -15.7070 -15.5927 -15.5927 -15.5927 -15.5927 -8.8564 -8.8564 -8.8564 -8.8564 1.0322 1.0322 1.0322 1.0322 2.5935 2.5935 2.5935 2.5935 3.3327 3.3327 3.3327 3.3327 3.7077 3.7077 3.7077 3.7077 9.1596 9.1596 9.1596 9.1596 9.3300 9.3300 9.3300 9.3300 k = 0.0000 0.5000 0.1951 ( 4748 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7070 -15.7070 -15.7070 -15.7070 -15.5927 -15.5927 -15.5927 -15.5927 -8.8563 -8.8563 -8.8563 -8.8563 1.0232 1.0232 1.0232 1.0232 2.6400 2.6400 2.6400 2.6400 3.2943 3.2943 3.2943 3.2943 3.7026 3.7026 3.7026 3.7026 9.1811 9.1811 9.1811 9.1811 9.3351 9.3351 9.3351 9.3351 k = 0.0000 0.5000 0.2073 ( 4740 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7070 -15.7070 -15.7070 -15.7070 -15.5927 -15.5927 -15.5927 -15.5927 -8.8563 -8.8563 -8.8563 -8.8563 1.0162 1.0162 1.0162 1.0162 2.6816 2.6816 2.6816 2.6816 3.2586 3.2586 3.2586 3.2586 3.6988 3.6988 3.6988 3.6988 9.1983 9.1983 9.1983 9.1983 9.3392 9.3392 9.3392 9.3392 k = 0.0000 0.5000 0.2195 ( 4732 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5927 -15.5927 -15.5927 -15.5927 -8.8563 -8.8563 -8.8563 -8.8563 1.0111 1.0111 1.0111 1.0111 2.7157 2.7157 2.7157 2.7157 3.2286 3.2286 3.2286 3.2286 3.6963 3.6963 3.6963 3.6963 9.2109 9.2109 9.2109 9.2109 9.3423 9.3423 9.3423 9.3423 k = 0.0000 0.5000 0.2316 ( 4730 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5926 -15.5926 -15.5926 -15.5926 -8.8563 -8.8563 -8.8563 -8.8563 1.0080 1.0080 1.0080 1.0080 2.7385 2.7385 2.7385 2.7385 3.2081 3.2081 3.2081 3.2081 3.6948 3.6948 3.6948 3.6948 9.2186 9.2186 9.2186 9.2186 9.3442 9.3442 9.3442 9.3442 k = 0.0000 0.5000 0.2438 ( 4728 PWs) bands (ev): -34.7465 -34.7465 -34.7465 -34.7465 -16.0672 -16.0672 -16.0672 -16.0672 -15.7069 -15.7069 -15.7069 -15.7069 -15.5926 -15.5926 -15.5926 -15.5926 -8.8563 -8.8563 -8.8563 -8.8563 1.0070 1.0070 1.0070 1.0070 2.7467 2.7467 2.7467 2.7467 3.2007 3.2007 3.2007 3.2007 3.6943 3.6943 3.6943 3.6943 9.2212 9.2212 9.2212 9.2212 9.3448 9.3448 9.3448 9.3448 k = 0.5000 0.5000-0.0000 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7286 -8.7286 -8.7286 -8.7286 1.6747 1.6747 1.6747 1.6747 2.4017 2.4017 2.4017 2.4017 2.7448 2.7448 2.7448 2.7448 2.8940 2.8940 2.8940 2.8940 8.0713 8.0713 8.0713 8.0713 10.7781 10.7781 10.7781 10.7781 k = 0.5000 0.5000 0.0122 ( 4784 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0779 -16.0779 -16.0779 -16.0779 -15.7318 -15.7318 -15.7318 -15.7318 -15.6300 -15.6300 -15.6300 -15.6300 -8.7286 -8.7286 -8.7286 -8.7286 1.6749 1.6749 1.6749 1.6749 2.4003 2.4003 2.4003 2.4003 2.7457 2.7457 2.7457 2.7457 2.8940 2.8940 2.8940 2.8940 8.0742 8.0742 8.0742 8.0742 10.7752 10.7752 10.7752 10.7752 k = 0.5000 0.5000 0.0244 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7285 -8.7285 -8.7285 -8.7285 1.6755 1.6755 1.6755 1.6755 2.3962 2.3962 2.3962 2.3962 2.7485 2.7485 2.7485 2.7485 2.8941 2.8941 2.8941 2.8941 8.0829 8.0829 8.0829 8.0829 10.7663 10.7663 10.7663 10.7663 k = 0.5000 0.5000 0.0366 ( 4776 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7285 -8.7285 -8.7285 -8.7285 1.6765 1.6765 1.6765 1.6765 2.3896 2.3896 2.3896 2.3896 2.7529 2.7529 2.7529 2.7529 2.8944 2.8944 2.8944 2.8944 8.0974 8.0974 8.0974 8.0974 10.7516 10.7516 10.7516 10.7516 k = 0.5000 0.5000 0.0488 ( 4760 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7285 -8.7285 -8.7285 -8.7285 1.6779 1.6779 1.6779 1.6779 2.3809 2.3809 2.3809 2.3809 2.7583 2.7583 2.7583 2.7583 2.8949 2.8949 2.8949 2.8949 8.1173 8.1173 8.1173 8.1173 10.7310 10.7310 10.7310 10.7310 k = 0.5000 0.5000 0.0610 ( 4760 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7284 -8.7284 -8.7284 -8.7284 1.6797 1.6797 1.6797 1.6797 2.3705 2.3705 2.3705 2.3705 2.7642 2.7642 2.7642 2.7642 2.8960 2.8960 2.8960 2.8960 8.1427 8.1427 8.1427 8.1427 10.7045 10.7045 10.7045 10.7045 k = 0.5000 0.5000 0.0732 ( 4760 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7284 -8.7284 -8.7284 -8.7284 1.6818 1.6818 1.6818 1.6818 2.3588 2.3588 2.3588 2.3588 2.7701 2.7701 2.7701 2.7701 2.8977 2.8977 2.8977 2.8977 8.1731 8.1731 8.1731 8.1731 10.6724 10.6724 10.6724 10.6724 k = 0.5000 0.5000 0.0853 ( 4760 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7283 -8.7283 -8.7283 -8.7283 1.6842 1.6842 1.6842 1.6842 2.3463 2.3463 2.3463 2.3463 2.7755 2.7755 2.7755 2.7755 2.9003 2.9003 2.9003 2.9003 8.2082 8.2082 8.2082 8.2082 10.6347 10.6347 10.6347 10.6347 k = 0.5000 0.5000 0.0975 ( 4748 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7283 -8.7283 -8.7283 -8.7283 1.6869 1.6869 1.6869 1.6869 2.3332 2.3332 2.3332 2.3332 2.7800 2.7800 2.7800 2.7800 2.9039 2.9039 2.9039 2.9039 8.2476 8.2476 8.2476 8.2476 10.5918 10.5918 10.5918 10.5918 k = 0.5000 0.5000 0.1097 ( 4740 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7282 -8.7282 -8.7282 -8.7282 1.6897 1.6897 1.6897 1.6897 2.3200 2.3200 2.3200 2.3200 2.7834 2.7834 2.7834 2.7834 2.9084 2.9084 2.9084 2.9084 8.2907 8.2907 8.2907 8.2907 10.5444 10.5444 10.5444 10.5444 k = 0.5000 0.5000 0.1219 ( 4744 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7281 -8.7281 -8.7281 -8.7281 1.6927 1.6927 1.6927 1.6927 2.3069 2.3069 2.3069 2.3069 2.7855 2.7855 2.7855 2.7855 2.9139 2.9139 2.9139 2.9139 8.3369 8.3369 8.3369 8.3369 10.4930 10.4930 10.4930 10.4930 k = 0.5000 0.5000 0.1341 ( 4764 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6300 -15.6300 -15.6300 -15.6300 -8.7281 -8.7281 -8.7281 -8.7281 1.6958 1.6958 1.6958 1.6958 2.2943 2.2943 2.2943 2.2943 2.7866 2.7866 2.7866 2.7866 2.9200 2.9200 2.9200 2.9200 8.3856 8.3856 8.3856 8.3856 10.4385 10.4385 10.4385 10.4385 k = 0.5000 0.5000 0.1463 ( 4764 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6300 -15.6300 -15.6300 -15.6300 -8.7280 -8.7280 -8.7280 -8.7280 1.6988 1.6988 1.6988 1.6988 2.2822 2.2822 2.2822 2.2822 2.7867 2.7867 2.7867 2.7867 2.9264 2.9264 2.9264 2.9264 8.4356 8.4356 8.4356 8.4356 10.3822 10.3822 10.3822 10.3822 k = 0.5000 0.5000 0.1585 ( 4764 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6300 -15.6300 -15.6300 -15.6300 -8.7279 -8.7279 -8.7279 -8.7279 1.7018 1.7018 1.7018 1.7018 2.2711 2.2711 2.2711 2.2711 2.7862 2.7862 2.7862 2.7862 2.9329 2.9329 2.9329 2.9329 8.4861 8.4861 8.4861 8.4861 10.3253 10.3253 10.3253 10.3253 k = 0.5000 0.5000 0.1707 ( 4748 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6300 -15.6300 -15.6300 -15.6300 -8.7279 -8.7279 -8.7279 -8.7279 1.7046 1.7046 1.7046 1.7046 2.2610 2.2610 2.2610 2.2610 2.7853 2.7853 2.7853 2.7853 2.9391 2.9391 2.9391 2.9391 8.5356 8.5356 8.5356 8.5356 10.2694 10.2694 10.2694 10.2694 k = 0.5000 0.5000 0.1829 ( 4744 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7318 -15.7318 -15.7318 -15.7318 -15.6299 -15.6299 -15.6299 -15.6299 -8.7278 -8.7278 -8.7278 -8.7278 1.7071 1.7071 1.7071 1.7071 2.2521 2.2521 2.2521 2.2521 2.7842 2.7842 2.7842 2.7842 2.9447 2.9447 2.9447 2.9447 8.5826 8.5826 8.5826 8.5826 10.2165 10.2165 10.2165 10.2165 k = 0.5000 0.5000 0.1951 ( 4740 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7278 -8.7278 -8.7278 -8.7278 1.7094 1.7094 1.7094 1.7094 2.2446 2.2446 2.2446 2.2446 2.7831 2.7831 2.7831 2.7831 2.9496 2.9496 2.9496 2.9496 8.6252 8.6252 8.6252 8.6252 10.1685 10.1685 10.1685 10.1685 k = 0.5000 0.5000 0.2073 ( 4728 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7277 -8.7277 -8.7277 -8.7277 1.7112 1.7112 1.7112 1.7112 2.2386 2.2386 2.2386 2.2386 2.7821 2.7821 2.7821 2.7821 2.9535 2.9535 2.9535 2.9535 8.6616 8.6616 8.6616 8.6616 10.1277 10.1277 10.1277 10.1277 k = 0.5000 0.5000 0.2195 ( 4720 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0777 -16.0777 -16.0777 -16.0777 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7277 -8.7277 -8.7277 -8.7277 1.7125 1.7125 1.7125 1.7125 2.2343 2.2343 2.2343 2.2343 2.7812 2.7812 2.7812 2.7812 2.9564 2.9564 2.9564 2.9564 8.6895 8.6895 8.6895 8.6895 10.0965 10.0965 10.0965 10.0965 k = 0.5000 0.5000 0.2316 ( 4720 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0777 -16.0777 -16.0777 -16.0777 -15.7317 -15.7317 -15.7317 -15.7317 -15.6299 -15.6299 -15.6299 -15.6299 -8.7277 -8.7277 -8.7277 -8.7277 1.7133 1.7133 1.7133 1.7133 2.2317 2.2317 2.2317 2.2317 2.7807 2.7807 2.7807 2.7807 2.9582 2.9582 2.9582 2.9582 8.7072 8.7072 8.7072 8.7072 10.0768 10.0768 10.0768 10.0768 k = 0.5000 0.5000 0.2438 ( 4744 PWs) bands (ev): -34.7400 -34.7400 -34.7400 -34.7400 -16.0778 -16.0778 -16.0778 -16.0778 -15.7317 -15.7317 -15.7317 -15.7317 -15.6300 -15.6300 -15.6300 -15.6300 -8.7277 -8.7277 -8.7277 -8.7277 1.7136 1.7136 1.7136 1.7136 2.2308 2.2308 2.2308 2.2308 2.7805 2.7805 2.7805 2.7805 2.9588 2.9588 2.9588 2.9588 8.7132 8.7132 8.7132 8.7132 10.0699 10.0699 10.0699 10.0699 Writing output data file CaHBr.save init_run : 0.36s CPU 0.75s WALL ( 1 calls) electrons : 212.20s CPU 216.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 212.20s CPU 216.95s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 349 calls) cegterg : 201.15s CPU 203.95s WALL ( 858 calls) Called by sum_band: Called by *egterg: h_psi : 90.77s CPU 92.34s WALL ( 16191 calls) s_psi : 4.58s CPU 4.73s WALL ( 16191 calls) g_psi : 0.35s CPU 0.40s WALL ( 14984 calls) cdiaghg : 87.74s CPU 89.07s WALL ( 15333 calls) cegterg:over : 8.31s CPU 8.41s WALL ( 14984 calls) cegterg:upda : 8.45s CPU 8.55s WALL ( 14984 calls) cegterg:last : 3.88s CPU 3.67s WALL ( 1971 calls) cdiaghg:chol : 4.71s CPU 4.88s WALL ( 15333 calls) cdiaghg:inve : 2.92s CPU 2.99s WALL ( 15333 calls) cdiaghg:para : 4.80s CPU 5.02s WALL ( 30666 calls) Called by h_psi: h_psi:vloc : 79.00s CPU 80.41s WALL ( 16191 calls) h_psi:vnl : 11.43s CPU 11.56s WALL ( 16191 calls) add_vuspsi : 5.48s CPU 5.78s WALL ( 16191 calls) General routines calbec : 5.91s CPU 5.74s WALL ( 16191 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.67s CPU 75.17s WALL ( 1090960 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 698 calls) Parallel routines fft_scatter : 30.14s CPU 30.77s WALL ( 1090983 calls) PWSCF : 3m48.29s CPU 4m28.16s WALL This run was terminated on: 16: 3:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=