Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34:54 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: ./CaCl.save/ 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 21 6 1456 798 130 Max 33 22 7 1462 812 137 Sum 1153 777 241 52533 28919 4775 bravais-lattice index = 14 lattice parameter (alat) = 7.2773 a.u. unit-cell volume = 686.6429 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.277335 celldm(2)= 1.000000 celldm(3)= 1.781615 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.781615 ) 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 0.561288 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 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= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0027933 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027933 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0027933 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027933 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0027933 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027933 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0027933 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0027933 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0027933 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0027933 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027933 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0027933 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027933 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0027933 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0027933 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027933 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0027933 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0027933 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0027933 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0027933 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0027933 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027933 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0027933 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0027933 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0027933 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027933 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0027933 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0027933 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027933 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0027933 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027933 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0027933 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027933 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0027933 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0027933 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0027933 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027933 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027933 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0027933 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0027933 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0027933 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0027933 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0027933 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0027933 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027933 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0027933 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0027933 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0027933 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0027933 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0027933 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027933 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027933 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027933 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0027933 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027933 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027933 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0027933 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027933 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027933 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0027933 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027933 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0027933 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0027933 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0027933 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027933 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027933 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027933 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027933 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0027933 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0027933 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0027933 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0027933 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0027933 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0027933 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0027933 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0027933 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0027933 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0027933 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0027933 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0027933 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0027933 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0027933 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0027933 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0027933 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0027933 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0027933 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0027933 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027933 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0027933 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027933 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0027933 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027933 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0027933 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0027933 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0027933 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027933 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027933 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027933 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0027933 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027933 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0027933 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0027933 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0027933 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027933 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0027933 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027933 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0027933 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027933 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0027933 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0027933 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0027933 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027933 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0027933 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027933 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0027933 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027933 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0027933 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027933 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0027933 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027933 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0027933 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027933 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0027933 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027933 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.0122019), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.0244038), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.0366058), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0488077), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0610096), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.0732115), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.0854135), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.0976154), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.1098173), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.1220192), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.1342211), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.1464231), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.1586250), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.1708269), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.1830288), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.1952308), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2074327), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2196346), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2318365), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2440385), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2562404), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.2684423), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.2806442), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.2806442), wk = 0.0027933 k( 169) = ( 0.0000000 0.0121951 0.2806442), wk = 0.0027933 k( 170) = ( 0.0000000 0.0243902 0.2806442), wk = 0.0027933 k( 171) = ( 0.0000000 0.0365854 0.2806442), wk = 0.0027933 k( 172) = ( 0.0000000 0.0487805 0.2806442), wk = 0.0027933 k( 173) = ( 0.0000000 0.0609756 0.2806442), wk = 0.0027933 k( 174) = ( 0.0000000 0.0731707 0.2806442), wk = 0.0027933 k( 175) = ( 0.0000000 0.0853658 0.2806442), wk = 0.0027933 k( 176) = ( 0.0000000 0.0975610 0.2806442), wk = 0.0027933 k( 177) = ( 0.0000000 0.1097561 0.2806442), wk = 0.0027933 k( 178) = ( 0.0000000 0.1219512 0.2806442), wk = 0.0027933 k( 179) = ( 0.0000000 0.1341463 0.2806442), wk = 0.0027933 k( 180) = ( 0.0000000 0.1463415 0.2806442), wk = 0.0027933 k( 181) = ( 0.0000000 0.1585366 0.2806442), wk = 0.0027933 k( 182) = ( 0.0000000 0.1707317 0.2806442), wk = 0.0027933 k( 183) = ( 0.0000000 0.1829268 0.2806442), wk = 0.0027933 k( 184) = ( 0.0000000 0.1951219 0.2806442), wk = 0.0027933 k( 185) = ( 0.0000000 0.2073171 0.2806442), wk = 0.0027933 k( 186) = ( 0.0000000 0.2195122 0.2806442), wk = 0.0027933 k( 187) = ( 0.0000000 0.2317073 0.2806442), wk = 0.0027933 k( 188) = ( 0.0000000 0.2439024 0.2806442), wk = 0.0027933 k( 189) = ( 0.0000000 0.2560976 0.2806442), wk = 0.0027933 k( 190) = ( 0.0000000 0.2682927 0.2806442), wk = 0.0027933 k( 191) = ( 0.0000000 0.2804878 0.2806442), wk = 0.0027933 k( 192) = ( 0.0000000 0.2926829 0.2806442), wk = 0.0027933 k( 193) = ( 0.0000000 0.3048781 0.2806442), wk = 0.0027933 k( 194) = ( 0.0000000 0.3170732 0.2806442), wk = 0.0027933 k( 195) = ( 0.0000000 0.3292683 0.2806442), wk = 0.0027933 k( 196) = ( 0.0000000 0.3414634 0.2806442), wk = 0.0027933 k( 197) = ( 0.0000000 0.3536585 0.2806442), wk = 0.0027933 k( 198) = ( 0.0000000 0.3658537 0.2806442), wk = 0.0027933 k( 199) = ( 0.0000000 0.3780488 0.2806442), wk = 0.0027933 k( 200) = ( 0.0000000 0.3902439 0.2806442), wk = 0.0027933 k( 201) = ( 0.0000000 0.4024390 0.2806442), wk = 0.0027933 k( 202) = ( 0.0000000 0.4146341 0.2806442), wk = 0.0027933 k( 203) = ( 0.0000000 0.4268293 0.2806442), wk = 0.0027933 k( 204) = ( 0.0000000 0.4390244 0.2806442), wk = 0.0027933 k( 205) = ( 0.0000000 0.4512195 0.2806442), wk = 0.0027933 k( 206) = ( 0.0000000 0.4634146 0.2806442), wk = 0.0027933 k( 207) = ( 0.0000000 0.4756098 0.2806442), wk = 0.0027933 k( 208) = ( 0.0000000 0.4878049 0.2806442), wk = 0.0027933 k( 209) = ( 0.0000000 0.5000000 0.2806442), wk = 0.0027933 k( 210) = ( 0.0000000 0.5000000 0.2806442), wk = 0.0027933 k( 211) = ( 0.0121951 0.5000000 0.2806442), wk = 0.0027933 k( 212) = ( 0.0243902 0.5000000 0.2806442), wk = 0.0027933 k( 213) = ( 0.0365854 0.5000000 0.2806442), wk = 0.0027933 k( 214) = ( 0.0487805 0.5000000 0.2806442), wk = 0.0027933 k( 215) = ( 0.0609756 0.5000000 0.2806442), wk = 0.0027933 k( 216) = ( 0.0731707 0.5000000 0.2806442), wk = 0.0027933 k( 217) = ( 0.0853658 0.5000000 0.2806442), wk = 0.0027933 k( 218) = ( 0.0975610 0.5000000 0.2806442), wk = 0.0027933 k( 219) = ( 0.1097561 0.5000000 0.2806442), wk = 0.0027933 k( 220) = ( 0.1219512 0.5000000 0.2806442), wk = 0.0027933 k( 221) = ( 0.1341463 0.5000000 0.2806442), wk = 0.0027933 k( 222) = ( 0.1463415 0.5000000 0.2806442), wk = 0.0027933 k( 223) = ( 0.1585366 0.5000000 0.2806442), wk = 0.0027933 k( 224) = ( 0.1707317 0.5000000 0.2806442), wk = 0.0027933 k( 225) = ( 0.1829268 0.5000000 0.2806442), wk = 0.0027933 k( 226) = ( 0.1951219 0.5000000 0.2806442), wk = 0.0027933 k( 227) = ( 0.2073171 0.5000000 0.2806442), wk = 0.0027933 k( 228) = ( 0.2195122 0.5000000 0.2806442), wk = 0.0027933 k( 229) = ( 0.2317073 0.5000000 0.2806442), wk = 0.0027933 k( 230) = ( 0.2439024 0.5000000 0.2806442), wk = 0.0027933 k( 231) = ( 0.2560976 0.5000000 0.2806442), wk = 0.0027933 k( 232) = ( 0.2682927 0.5000000 0.2806442), wk = 0.0027933 k( 233) = ( 0.2804878 0.5000000 0.2806442), wk = 0.0027933 k( 234) = ( 0.2926829 0.5000000 0.2806442), wk = 0.0027933 k( 235) = ( 0.3048781 0.5000000 0.2806442), wk = 0.0027933 k( 236) = ( 0.3170732 0.5000000 0.2806442), wk = 0.0027933 k( 237) = ( 0.3292683 0.5000000 0.2806442), wk = 0.0027933 k( 238) = ( 0.3414634 0.5000000 0.2806442), wk = 0.0027933 k( 239) = ( 0.3536585 0.5000000 0.2806442), wk = 0.0027933 k( 240) = ( 0.3658537 0.5000000 0.2806442), wk = 0.0027933 k( 241) = ( 0.3780488 0.5000000 0.2806442), wk = 0.0027933 k( 242) = ( 0.3902439 0.5000000 0.2806442), wk = 0.0027933 k( 243) = ( 0.4024390 0.5000000 0.2806442), wk = 0.0027933 k( 244) = ( 0.4146341 0.5000000 0.2806442), wk = 0.0027933 k( 245) = ( 0.4268293 0.5000000 0.2806442), wk = 0.0027933 k( 246) = ( 0.4390244 0.5000000 0.2806442), wk = 0.0027933 k( 247) = ( 0.4512195 0.5000000 0.2806442), wk = 0.0027933 k( 248) = ( 0.4634146 0.5000000 0.2806442), wk = 0.0027933 k( 249) = ( 0.4756098 0.5000000 0.2806442), wk = 0.0027933 k( 250) = ( 0.4878049 0.5000000 0.2806442), wk = 0.0027933 k( 251) = ( 0.5000000 0.5000000 0.2806442), wk = 0.0027933 k( 252) = ( 0.5000000 0.5000000 0.2806442), wk = 0.0027933 k( 253) = ( 0.4913793 0.4913793 0.2806442), wk = 0.0027933 k( 254) = ( 0.4827586 0.4827586 0.2806442), wk = 0.0027933 k( 255) = ( 0.4741379 0.4741379 0.2806442), wk = 0.0027933 k( 256) = ( 0.4655172 0.4655172 0.2806442), wk = 0.0027933 k( 257) = ( 0.4568966 0.4568965 0.2806442), wk = 0.0027933 k( 258) = ( 0.4482759 0.4482759 0.2806442), wk = 0.0027933 k( 259) = ( 0.4396552 0.4396552 0.2806442), wk = 0.0027933 k( 260) = ( 0.4310345 0.4310345 0.2806442), wk = 0.0027933 k( 261) = ( 0.4224138 0.4224138 0.2806442), wk = 0.0027933 k( 262) = ( 0.4137931 0.4137931 0.2806442), wk = 0.0027933 k( 263) = ( 0.4051724 0.4051724 0.2806442), wk = 0.0027933 k( 264) = ( 0.3965517 0.3965517 0.2806442), wk = 0.0027933 k( 265) = ( 0.3879310 0.3879310 0.2806442), wk = 0.0027933 k( 266) = ( 0.3793103 0.3793103 0.2806442), wk = 0.0027933 k( 267) = ( 0.3706897 0.3706897 0.2806442), wk = 0.0027933 k( 268) = ( 0.3620690 0.3620690 0.2806442), wk = 0.0027933 k( 269) = ( 0.3534483 0.3534483 0.2806442), wk = 0.0027933 k( 270) = ( 0.3448276 0.3448276 0.2806442), wk = 0.0027933 k( 271) = ( 0.3362069 0.3362069 0.2806442), wk = 0.0027933 k( 272) = ( 0.3275862 0.3275862 0.2806442), wk = 0.0027933 k( 273) = ( 0.3189655 0.3189655 0.2806442), wk = 0.0027933 k( 274) = ( 0.3103448 0.3103448 0.2806442), wk = 0.0027933 k( 275) = ( 0.3017241 0.3017241 0.2806442), wk = 0.0027933 k( 276) = ( 0.2931034 0.2931034 0.2806442), wk = 0.0027933 k( 277) = ( 0.2844828 0.2844828 0.2806442), wk = 0.0027933 k( 278) = ( 0.2758621 0.2758621 0.2806442), wk = 0.0027933 k( 279) = ( 0.2672414 0.2672414 0.2806442), wk = 0.0027933 k( 280) = ( 0.2586207 0.2586207 0.2806442), wk = 0.0027933 k( 281) = ( 0.2500000 0.2500000 0.2806442), wk = 0.0027933 k( 282) = ( 0.2413793 0.2413793 0.2806442), wk = 0.0027933 k( 283) = ( 0.2327586 0.2327586 0.2806442), wk = 0.0027933 k( 284) = ( 0.2241379 0.2241379 0.2806442), wk = 0.0027933 k( 285) = ( 0.2155172 0.2155172 0.2806442), wk = 0.0027933 k( 286) = ( 0.2068966 0.2068965 0.2806442), wk = 0.0027933 k( 287) = ( 0.1982759 0.1982759 0.2806442), wk = 0.0027933 k( 288) = ( 0.1896552 0.1896552 0.2806442), wk = 0.0027933 k( 289) = ( 0.1810345 0.1810345 0.2806442), wk = 0.0027933 k( 290) = ( 0.1724138 0.1724138 0.2806442), wk = 0.0027933 k( 291) = ( 0.1637931 0.1637931 0.2806442), wk = 0.0027933 k( 292) = ( 0.1551724 0.1551724 0.2806442), wk = 0.0027933 k( 293) = ( 0.1465517 0.1465517 0.2806442), wk = 0.0027933 k( 294) = ( 0.1379310 0.1379310 0.2806442), wk = 0.0027933 k( 295) = ( 0.1293103 0.1293103 0.2806442), wk = 0.0027933 k( 296) = ( 0.1206897 0.1206897 0.2806442), wk = 0.0027933 k( 297) = ( 0.1120690 0.1120690 0.2806442), wk = 0.0027933 k( 298) = ( 0.1034483 0.1034483 0.2806442), wk = 0.0027933 k( 299) = ( 0.0948276 0.0948276 0.2806442), wk = 0.0027933 k( 300) = ( 0.0862069 0.0862069 0.2806442), wk = 0.0027933 k( 301) = ( 0.0775862 0.0775862 0.2806442), wk = 0.0027933 k( 302) = ( 0.0689655 0.0689655 0.2806442), wk = 0.0027933 k( 303) = ( 0.0603448 0.0603448 0.2806442), wk = 0.0027933 k( 304) = ( 0.0517241 0.0517241 0.2806442), wk = 0.0027933 k( 305) = ( 0.0431035 0.0431034 0.2806442), wk = 0.0027933 k( 306) = ( 0.0344828 0.0344828 0.2806442), wk = 0.0027933 k( 307) = ( 0.0258621 0.0258621 0.2806442), wk = 0.0027933 k( 308) = ( 0.0172414 0.0172414 0.2806442), wk = 0.0027933 k( 309) = ( 0.0086207 0.0086207 0.2806442), wk = 0.0027933 k( 310) = ( 0.0000000 0.0000000 0.2806442), wk = 0.0027933 k( 311) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 312) = ( 0.0000000 0.5000000 0.0122019), wk = 0.0027933 k( 313) = ( 0.0000000 0.5000000 0.0244038), wk = 0.0027933 k( 314) = ( 0.0000000 0.5000000 0.0366058), wk = 0.0027933 k( 315) = ( 0.0000000 0.5000000 0.0488077), wk = 0.0027933 k( 316) = ( 0.0000000 0.5000000 0.0610096), wk = 0.0027933 k( 317) = ( 0.0000000 0.5000000 0.0732115), wk = 0.0027933 k( 318) = ( 0.0000000 0.5000000 0.0854135), wk = 0.0027933 k( 319) = ( 0.0000000 0.5000000 0.0976154), wk = 0.0027933 k( 320) = ( 0.0000000 0.5000000 0.1098173), wk = 0.0027933 k( 321) = ( 0.0000000 0.5000000 0.1220192), wk = 0.0027933 k( 322) = ( 0.0000000 0.5000000 0.1342211), wk = 0.0027933 k( 323) = ( 0.0000000 0.5000000 0.1464231), wk = 0.0027933 k( 324) = ( 0.0000000 0.5000000 0.1586250), wk = 0.0027933 k( 325) = ( 0.0000000 0.5000000 0.1708269), wk = 0.0027933 k( 326) = ( 0.0000000 0.5000000 0.1830288), wk = 0.0027933 k( 327) = ( 0.0000000 0.5000000 0.1952308), wk = 0.0027933 k( 328) = ( 0.0000000 0.5000000 0.2074327), wk = 0.0027933 k( 329) = ( 0.0000000 0.5000000 0.2196346), wk = 0.0027933 k( 330) = ( 0.0000000 0.5000000 0.2318365), wk = 0.0027933 k( 331) = ( 0.0000000 0.5000000 0.2440385), wk = 0.0027933 k( 332) = ( 0.0000000 0.5000000 0.2562404), wk = 0.0027933 k( 333) = ( 0.0000000 0.5000000 0.2684423), wk = 0.0027933 k( 334) = ( 0.0000000 0.5000000 0.2806442), wk = 0.0027933 k( 335) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 336) = ( 0.5000000 0.5000000 0.0122019), wk = 0.0027933 k( 337) = ( 0.5000000 0.5000000 0.0244038), wk = 0.0027933 k( 338) = ( 0.5000000 0.5000000 0.0366058), wk = 0.0027933 k( 339) = ( 0.5000000 0.5000000 0.0488077), wk = 0.0027933 k( 340) = ( 0.5000000 0.5000000 0.0610096), wk = 0.0027933 k( 341) = ( 0.5000000 0.5000000 0.0732115), wk = 0.0027933 k( 342) = ( 0.5000000 0.5000000 0.0854135), wk = 0.0027933 k( 343) = ( 0.5000000 0.5000000 0.0976154), wk = 0.0027933 k( 344) = ( 0.5000000 0.5000000 0.1098173), wk = 0.0027933 k( 345) = ( 0.5000000 0.5000000 0.1220192), wk = 0.0027933 k( 346) = ( 0.5000000 0.5000000 0.1342211), wk = 0.0027933 k( 347) = ( 0.5000000 0.5000000 0.1464231), wk = 0.0027933 k( 348) = ( 0.5000000 0.5000000 0.1586250), wk = 0.0027933 k( 349) = ( 0.5000000 0.5000000 0.1708269), wk = 0.0027933 k( 350) = ( 0.5000000 0.5000000 0.1830288), wk = 0.0027933 k( 351) = ( 0.5000000 0.5000000 0.1952308), wk = 0.0027933 k( 352) = ( 0.5000000 0.5000000 0.2074327), wk = 0.0027933 k( 353) = ( 0.5000000 0.5000000 0.2196346), wk = 0.0027933 k( 354) = ( 0.5000000 0.5000000 0.2318365), wk = 0.0027933 k( 355) = ( 0.5000000 0.5000000 0.2440385), wk = 0.0027933 k( 356) = ( 0.5000000 0.5000000 0.2562404), wk = 0.0027933 k( 357) = ( 0.5000000 0.5000000 0.2684423), wk = 0.0027933 k( 358) = ( 0.5000000 0.5000000 0.2806442), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0027933 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0027933 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0027933 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0027933 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0027933 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0027933 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0027933 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0027933 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0027933 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0027933 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027933 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0027933 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0027933 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0027933 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0027933 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0027933 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0027933 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0027933 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0027933 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0027933 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0027933 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0027933 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0027933 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0027933 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0027933 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0027933 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0027933 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0027933 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0027933 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0027933 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0027933 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0027933 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027933 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0027933 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0027933 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0027933 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0027933 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0027933 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0027933 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0027933 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0027933 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0027933 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0027933 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0027933 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0027933 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0027933 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0027933 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0027933 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0027933 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0027933 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0027933 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0027933 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0027933 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0027933 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0027933 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0027933 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0027933 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0027933 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0027933 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027933 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0027933 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027933 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0027933 k( 70) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0027933 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0027933 k( 72) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0027933 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0027933 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0027933 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0027933 k( 76) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0027933 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0027933 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0027933 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0027933 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0027933 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027933 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0027933 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027933 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0027933 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0027933 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0027933 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0027933 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0027933 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0027933 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0027933 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0027933 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0027933 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0027933 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0027933 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0027933 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0027933 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0027933 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0027933 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0027933 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0027933 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0027933 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0027933 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0027933 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0027933 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027933 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0027933 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027933 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0027933 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027933 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0027933 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027933 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027933 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027933 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0027933 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027933 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0027933 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0027933 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0027933 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027933 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0027933 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027933 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0027933 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027933 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0027933 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027933 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0027933 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0027933 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0027933 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027933 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0027933 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027933 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0027933 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027933 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0027933 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027933 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0027933 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027933 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0027933 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027933 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 169) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0027933 k( 170) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0027933 k( 171) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0027933 k( 172) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0027933 k( 173) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0027933 k( 174) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0027933 k( 175) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0027933 k( 176) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0027933 k( 177) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0027933 k( 178) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0027933 k( 179) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0027933 k( 180) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0027933 k( 181) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0027933 k( 182) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0027933 k( 183) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0027933 k( 184) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0027933 k( 185) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0027933 k( 186) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0027933 k( 188) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0027933 k( 189) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0027933 k( 190) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0027933 k( 191) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0027933 k( 192) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0027933 k( 193) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0027933 k( 194) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0027933 k( 195) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0027933 k( 196) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0027933 k( 197) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0027933 k( 198) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0027933 k( 199) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0027933 k( 200) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0027933 k( 201) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0027933 k( 202) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0027933 k( 203) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0027933 k( 204) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0027933 k( 205) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0027933 k( 206) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0027933 k( 207) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0027933 k( 208) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0027933 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 211) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0027933 k( 212) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0027933 k( 213) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0027933 k( 214) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0027933 k( 215) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0027933 k( 216) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0027933 k( 217) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0027933 k( 218) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0027933 k( 219) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0027933 k( 220) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0027933 k( 221) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0027933 k( 222) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0027933 k( 223) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0027933 k( 224) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0027933 k( 225) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0027933 k( 226) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0027933 k( 227) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0027933 k( 228) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0027933 k( 229) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0027933 k( 230) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0027933 k( 231) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0027933 k( 232) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0027933 k( 233) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0027933 k( 234) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0027933 k( 235) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0027933 k( 236) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0027933 k( 237) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0027933 k( 238) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0027933 k( 239) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0027933 k( 240) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0027933 k( 241) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0027933 k( 242) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0027933 k( 243) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0027933 k( 244) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0027933 k( 245) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0027933 k( 246) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0027933 k( 247) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0027933 k( 248) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0027933 k( 249) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0027933 k( 250) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0027933 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 253) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0027933 k( 254) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0027933 k( 255) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0027933 k( 256) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0027933 k( 257) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0027933 k( 258) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0027933 k( 259) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0027933 k( 260) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0027933 k( 261) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0027933 k( 262) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0027933 k( 263) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0027933 k( 264) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0027933 k( 265) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0027933 k( 266) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0027933 k( 267) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0027933 k( 268) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0027933 k( 269) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0027933 k( 270) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0027933 k( 271) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0027933 k( 272) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027933 k( 273) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0027933 k( 274) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027933 k( 275) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0027933 k( 276) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027933 k( 277) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0027933 k( 278) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027933 k( 279) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0027933 k( 280) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027933 k( 281) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027933 k( 282) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027933 k( 283) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0027933 k( 284) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027933 k( 285) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0027933 k( 286) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027933 k( 287) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0027933 k( 288) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027933 k( 289) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0027933 k( 290) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027933 k( 291) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0027933 k( 292) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027933 k( 293) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0027933 k( 294) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027933 k( 295) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0027933 k( 296) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027933 k( 297) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0027933 k( 298) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027933 k( 299) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0027933 k( 300) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027933 k( 301) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0027933 k( 302) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027933 k( 303) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0027933 k( 304) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027933 k( 305) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0027933 k( 306) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027933 k( 307) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0027933 k( 308) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027933 k( 309) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0027933 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 311) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 312) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0027933 k( 313) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0027933 k( 314) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0027933 k( 315) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0027933 k( 316) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0027933 k( 317) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0027933 k( 318) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0027933 k( 319) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0027933 k( 320) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0027933 k( 321) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0027933 k( 322) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0027933 k( 323) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0027933 k( 324) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0027933 k( 325) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0027933 k( 326) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0027933 k( 327) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0027933 k( 328) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0027933 k( 329) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0027933 k( 330) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0027933 k( 331) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0027933 k( 332) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0027933 k( 333) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0027933 k( 334) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 335) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 336) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0027933 k( 337) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0027933 k( 338) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0027933 k( 339) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0027933 k( 340) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0027933 k( 341) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0027933 k( 342) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0027933 k( 343) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0027933 k( 344) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0027933 k( 345) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0027933 k( 346) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0027933 k( 347) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0027933 k( 348) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0027933 k( 349) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0027933 k( 350) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0027933 k( 351) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0027933 k( 352) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0027933 k( 353) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0027933 k( 354) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0027933 k( 355) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0027933 k( 356) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0027933 k( 357) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0027933 k( 358) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 52533 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 28919 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 204, 42) NL pseudopotentials 0.21 Mb ( 102, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1460) G-vector shells 0.01 Mb ( 704) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 204, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaCl.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.7 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.7 secs Computing kpt #: 14 total cpu time spent up to now is 13.4 secs Computing kpt #: 15 total cpu time spent up to now is 14.1 secs Computing kpt #: 16 total cpu time spent up to now is 14.7 secs Computing kpt #: 17 total cpu time spent up to now is 15.4 secs Computing kpt #: 18 total cpu time spent up to now is 16.0 secs Computing kpt #: 19 total cpu time spent up to now is 16.6 secs Computing kpt #: 20 total cpu time spent up to now is 17.1 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 19.1 secs Computing kpt #: 24 total cpu time spent up to now is 19.7 secs Computing kpt #: 25 total cpu time spent up to now is 20.3 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.5 secs Computing kpt #: 28 total cpu time spent up to now is 22.1 secs Computing kpt #: 29 total cpu time spent up to now is 22.8 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.6 secs Computing kpt #: 33 total cpu time spent up to now is 25.1 secs Computing kpt #: 34 total cpu time spent up to now is 25.6 secs Computing kpt #: 35 total cpu time spent up to now is 26.2 secs Computing kpt #: 36 total cpu time spent up to now is 26.9 secs Computing kpt #: 37 total cpu time spent up to now is 27.6 secs Computing kpt #: 38 total cpu time spent up to now is 28.3 secs Computing kpt #: 39 total cpu time spent up to now is 29.0 secs Computing kpt #: 40 total cpu time spent up to now is 29.8 secs Computing kpt #: 41 total cpu time spent up to now is 30.6 secs Computing kpt #: 42 total cpu time spent up to now is 31.2 secs Computing kpt #: 43 total cpu time spent up to now is 31.7 secs Computing kpt #: 44 total cpu time spent up to now is 32.3 secs Computing kpt #: 45 total cpu time spent up to now is 32.9 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.9 secs Computing kpt #: 47 total cpu time spent up to now is 34.8 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.9 secs Computing kpt #: 49 total cpu time spent up to now is 36.8 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.9 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.1 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.2 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.2 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.3 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.4 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.5 secs Computing kpt #: 59 total cpu time spent up to now is 47.2 secs Computing kpt #: 60 total cpu time spent up to now is 48.1 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.1 secs Computing kpt #: 62 total cpu time spent up to now is 50.1 secs Computing kpt #: 63 total cpu time spent up to now is 51.1 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.1 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.2 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.3 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.4 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.5 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.6 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.6 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.6 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.7 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.7 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.7 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.7 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.7 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.7 secs Computing kpt #: 80 total cpu time spent up to now is 68.4 secs Computing kpt #: 81 total cpu time spent up to now is 69.0 secs Computing kpt #: 82 total cpu time spent up to now is 69.6 secs Computing kpt #: 83 total cpu time spent up to now is 70.2 secs Computing kpt #: 84 total cpu time spent up to now is 70.7 secs Computing kpt #: 85 total cpu time spent up to now is 71.3 secs Computing kpt #: 86 total cpu time spent up to now is 71.8 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.9 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.9 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.9 secs Computing kpt #: 90 total cpu time spent up to now is 75.7 secs Computing kpt #: 91 total cpu time spent up to now is 76.4 secs Computing kpt #: 92 total cpu time spent up to now is 77.1 secs Computing kpt #: 93 total cpu time spent up to now is 77.7 secs Computing kpt #: 94 total cpu time spent up to now is 78.4 secs Computing kpt #: 95 total cpu time spent up to now is 79.0 secs Computing kpt #: 96 total cpu time spent up to now is 79.5 secs Computing kpt #: 97 total cpu time spent up to now is 80.1 secs Computing kpt #: 98 total cpu time spent up to now is 80.6 secs Computing kpt #: 99 total cpu time spent up to now is 81.0 secs Computing kpt #: 100 total cpu time spent up to now is 81.6 secs Computing kpt #: 101 total cpu time spent up to now is 82.0 secs Computing kpt #: 102 total cpu time spent up to now is 82.5 secs Computing kpt #: 103 total cpu time spent up to now is 82.9 secs Computing kpt #: 104 total cpu time spent up to now is 83.3 secs Computing kpt #: 105 total cpu time spent up to now is 83.8 secs Computing kpt #: 106 total cpu time spent up to now is 84.2 secs Computing kpt #: 107 total cpu time spent up to now is 84.6 secs Computing kpt #: 108 total cpu time spent up to now is 85.1 secs Computing kpt #: 109 total cpu time spent up to now is 85.6 secs Computing kpt #: 110 total cpu time spent up to now is 86.1 secs Computing kpt #: 111 total cpu time spent up to now is 86.5 secs Computing kpt #: 112 total cpu time spent up to now is 87.1 secs Computing kpt #: 113 total cpu time spent up to now is 87.6 secs Computing kpt #: 114 total cpu time spent up to now is 88.2 secs Computing kpt #: 115 total cpu time spent up to now is 88.7 secs Computing kpt #: 116 total cpu time spent up to now is 89.3 secs Computing kpt #: 117 total cpu time spent up to now is 89.8 secs Computing kpt #: 118 total cpu time spent up to now is 90.4 secs Computing kpt #: 119 total cpu time spent up to now is 91.0 secs Computing kpt #: 120 total cpu time spent up to now is 91.6 secs Computing kpt #: 121 total cpu time spent up to now is 92.2 secs Computing kpt #: 122 total cpu time spent up to now is 92.8 secs Computing kpt #: 123 total cpu time spent up to now is 93.3 secs Computing kpt #: 124 total cpu time spent up to now is 94.0 secs Computing kpt #: 125 total cpu time spent up to now is 94.8 secs Computing kpt #: 126 total cpu time spent up to now is 95.5 secs Computing kpt #: 127 total cpu time spent up to now is 96.5 secs Computing kpt #: 128 total cpu time spent up to now is 97.3 secs Computing kpt #: 129 total cpu time spent up to now is 98.1 secs Computing kpt #: 130 total cpu time spent up to now is 98.9 secs Computing kpt #: 131 total cpu time spent up to now is 99.7 secs Computing kpt #: 132 total cpu time spent up to now is 100.5 secs Computing kpt #: 133 total cpu time spent up to now is 101.1 secs Computing kpt #: 134 total cpu time spent up to now is 101.6 secs Computing kpt #: 135 total cpu time spent up to now is 102.1 secs Computing kpt #: 136 total cpu time spent up to now is 102.6 secs Computing kpt #: 137 total cpu time spent up to now is 103.2 secs Computing kpt #: 138 total cpu time spent up to now is 103.7 secs Computing kpt #: 139 total cpu time spent up to now is 104.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.2 secs Computing kpt #: 141 total cpu time spent up to now is 105.7 secs Computing kpt #: 142 total cpu time spent up to now is 106.2 secs Computing kpt #: 143 total cpu time spent up to now is 106.7 secs Computing kpt #: 144 total cpu time spent up to now is 107.3 secs Computing kpt #: 145 total cpu time spent up to now is 107.8 secs Computing kpt #: 146 total cpu time spent up to now is 108.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.4 secs Computing kpt #: 148 total cpu time spent up to now is 109.9 secs Computing kpt #: 149 total cpu time spent up to now is 110.4 secs Computing kpt #: 150 total cpu time spent up to now is 110.9 secs Computing kpt #: 151 total cpu time spent up to now is 111.4 secs Computing kpt #: 152 total cpu time spent up to now is 111.9 secs Computing kpt #: 153 total cpu time spent up to now is 112.4 secs Computing kpt #: 154 total cpu time spent up to now is 113.6 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.8 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.0 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.1 secs Computing kpt #: 159 total cpu time spent up to now is 118.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.6 secs Computing kpt #: 161 total cpu time spent up to now is 120.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.5 secs Computing kpt #: 163 total cpu time spent up to now is 122.1 secs Computing kpt #: 164 total cpu time spent up to now is 122.8 secs Computing kpt #: 165 total cpu time spent up to now is 123.5 secs Computing kpt #: 166 total cpu time spent up to now is 124.1 secs Computing kpt #: 167 total cpu time spent up to now is 124.7 secs Computing kpt #: 168 total cpu time spent up to now is 125.3 secs Computing kpt #: 169 total cpu time spent up to now is 125.8 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.9 secs Computing kpt #: 171 total cpu time spent up to now is 127.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 173 total cpu time spent up to now is 129.0 secs Computing kpt #: 174 total cpu time spent up to now is 129.8 secs Computing kpt #: 175 total cpu time spent up to now is 130.5 secs Computing kpt #: 176 total cpu time spent up to now is 131.2 secs Computing kpt #: 177 total cpu time spent up to now is 131.8 secs Computing kpt #: 178 total cpu time spent up to now is 132.4 secs Computing kpt #: 179 total cpu time spent up to now is 133.0 secs Computing kpt #: 180 total cpu time spent up to now is 133.6 secs Computing kpt #: 181 total cpu time spent up to now is 134.1 secs Computing kpt #: 182 total cpu time spent up to now is 134.6 secs Computing kpt #: 183 total cpu time spent up to now is 135.2 secs Computing kpt #: 184 total cpu time spent up to now is 135.7 secs Computing kpt #: 185 total cpu time spent up to now is 136.3 secs Computing kpt #: 186 total cpu time spent up to now is 136.8 secs Computing kpt #: 187 total cpu time spent up to now is 137.4 secs Computing kpt #: 188 total cpu time spent up to now is 138.0 secs Computing kpt #: 189 total cpu time spent up to now is 138.5 secs Computing kpt #: 190 total cpu time spent up to now is 139.1 secs Computing kpt #: 191 total cpu time spent up to now is 139.7 secs Computing kpt #: 192 total cpu time spent up to now is 140.2 secs Computing kpt #: 193 total cpu time spent up to now is 140.8 secs Computing kpt #: 194 total cpu time spent up to now is 141.3 secs Computing kpt #: 195 total cpu time spent up to now is 142.1 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.1 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.1 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.2 secs Computing kpt #: 199 total cpu time spent up to now is 145.8 secs Computing kpt #: 200 total cpu time spent up to now is 146.9 secs Computing kpt #: 201 total cpu time spent up to now is 147.7 secs Computing kpt #: 202 total cpu time spent up to now is 148.5 secs Computing kpt #: 203 total cpu time spent up to now is 149.3 secs Computing kpt #: 204 total cpu time spent up to now is 150.0 secs Computing kpt #: 205 total cpu time spent up to now is 150.8 secs Computing kpt #: 206 total cpu time spent up to now is 151.6 secs Computing kpt #: 207 total cpu time spent up to now is 152.4 secs Computing kpt #: 208 total cpu time spent up to now is 153.2 secs Computing kpt #: 209 total cpu time spent up to now is 153.8 secs Computing kpt #: 210 total cpu time spent up to now is 154.4 secs Computing kpt #: 211 total cpu time spent up to now is 155.2 secs Computing kpt #: 212 total cpu time spent up to now is 155.9 secs Computing kpt #: 213 total cpu time spent up to now is 156.6 secs Computing kpt #: 214 total cpu time spent up to now is 157.2 secs Computing kpt #: 215 total cpu time spent up to now is 157.8 secs Computing kpt #: 216 total cpu time spent up to now is 158.4 secs Computing kpt #: 217 total cpu time spent up to now is 158.9 secs Computing kpt #: 218 total cpu time spent up to now is 159.5 secs Computing kpt #: 219 total cpu time spent up to now is 160.0 secs Computing kpt #: 220 total cpu time spent up to now is 160.7 secs Computing kpt #: 221 total cpu time spent up to now is 161.4 secs Computing kpt #: 222 total cpu time spent up to now is 162.3 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.4 secs Computing kpt #: 224 total cpu time spent up to now is 164.3 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.5 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.6 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.7 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.8 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.9 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.0 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.0 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.1 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.1 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.2 secs Computing kpt #: 235 total cpu time spent up to now is 176.2 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.3 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.3 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.5 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 181.6 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.7 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.5 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.6 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.7 secs Computing kpt #: 245 total cpu time spent up to now is 187.4 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.5 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.6 secs Computing kpt #: 248 total cpu time spent up to now is 190.2 secs Computing kpt #: 249 total cpu time spent up to now is 190.7 secs Computing kpt #: 250 total cpu time spent up to now is 191.2 secs Computing kpt #: 251 total cpu time spent up to now is 191.7 secs Computing kpt #: 252 total cpu time spent up to now is 192.1 secs Computing kpt #: 253 total cpu time spent up to now is 192.8 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.8 secs Computing kpt #: 255 total cpu time spent up to now is 194.4 secs Computing kpt #: 256 total cpu time spent up to now is 195.0 secs Computing kpt #: 257 total cpu time spent up to now is 195.5 secs Computing kpt #: 258 total cpu time spent up to now is 196.1 secs Computing kpt #: 259 total cpu time spent up to now is 196.6 secs Computing kpt #: 260 total cpu time spent up to now is 197.2 secs Computing kpt #: 261 total cpu time spent up to now is 197.7 secs Computing kpt #: 262 total cpu time spent up to now is 198.3 secs Computing kpt #: 263 total cpu time spent up to now is 198.9 secs Computing kpt #: 264 total cpu time spent up to now is 199.5 secs Computing kpt #: 265 total cpu time spent up to now is 200.0 secs Computing kpt #: 266 total cpu time spent up to now is 200.7 secs Computing kpt #: 267 total cpu time spent up to now is 201.3 secs Computing kpt #: 268 total cpu time spent up to now is 201.9 secs Computing kpt #: 269 total cpu time spent up to now is 202.5 secs Computing kpt #: 270 total cpu time spent up to now is 203.1 secs Computing kpt #: 271 total cpu time spent up to now is 203.8 secs Computing kpt #: 272 total cpu time spent up to now is 204.5 secs Computing kpt #: 273 total cpu time spent up to now is 205.5 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.6 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.7 secs Computing kpt #: 276 total cpu time spent up to now is 208.5 secs Computing kpt #: 277 total cpu time spent up to now is 209.3 secs Computing kpt #: 278 total cpu time spent up to now is 210.0 secs Computing kpt #: 279 total cpu time spent up to now is 210.7 secs Computing kpt #: 280 total cpu time spent up to now is 211.4 secs Computing kpt #: 281 total cpu time spent up to now is 212.0 secs Computing kpt #: 282 total cpu time spent up to now is 212.6 secs Computing kpt #: 283 total cpu time spent up to now is 213.2 secs Computing kpt #: 284 total cpu time spent up to now is 213.8 secs Computing kpt #: 285 total cpu time spent up to now is 214.4 secs Computing kpt #: 286 total cpu time spent up to now is 215.3 secs Computing kpt #: 287 total cpu time spent up to now is 216.3 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.4 secs Computing kpt #: 289 total cpu time spent up to now is 218.3 secs Computing kpt #: 290 total cpu time spent up to now is 219.2 secs Computing kpt #: 291 total cpu time spent up to now is 219.8 secs Computing kpt #: 292 total cpu time spent up to now is 220.5 secs Computing kpt #: 293 total cpu time spent up to now is 221.2 secs Computing kpt #: 294 total cpu time spent up to now is 221.9 secs Computing kpt #: 295 total cpu time spent up to now is 222.5 secs Computing kpt #: 296 total cpu time spent up to now is 223.1 secs Computing kpt #: 297 total cpu time spent up to now is 223.8 secs Computing kpt #: 298 total cpu time spent up to now is 224.3 secs Computing kpt #: 299 total cpu time spent up to now is 225.0 secs Computing kpt #: 300 total cpu time spent up to now is 225.6 secs Computing kpt #: 301 total cpu time spent up to now is 226.4 secs Computing kpt #: 302 total cpu time spent up to now is 227.2 secs Computing kpt #: 303 total cpu time spent up to now is 228.1 secs Computing kpt #: 304 total cpu time spent up to now is 229.1 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.2 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.2 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.2 secs Computing kpt #: 308 total cpu time spent up to now is 232.9 secs Computing kpt #: 309 total cpu time spent up to now is 233.5 secs Computing kpt #: 310 total cpu time spent up to now is 234.2 secs Computing kpt #: 311 total cpu time spent up to now is 234.8 secs Computing kpt #: 312 total cpu time spent up to now is 235.4 secs Computing kpt #: 313 total cpu time spent up to now is 235.9 secs Computing kpt #: 314 total cpu time spent up to now is 236.5 secs Computing kpt #: 315 total cpu time spent up to now is 237.1 secs Computing kpt #: 316 total cpu time spent up to now is 237.7 secs Computing kpt #: 317 total cpu time spent up to now is 238.3 secs Computing kpt #: 318 total cpu time spent up to now is 238.9 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.0 secs Computing kpt #: 320 total cpu time spent up to now is 240.7 secs Computing kpt #: 321 total cpu time spent up to now is 241.4 secs Computing kpt #: 322 total cpu time spent up to now is 242.3 secs Computing kpt #: 323 total cpu time spent up to now is 243.0 secs Computing kpt #: 324 total cpu time spent up to now is 243.7 secs Computing kpt #: 325 total cpu time spent up to now is 244.4 secs Computing kpt #: 326 total cpu time spent up to now is 245.1 secs Computing kpt #: 327 total cpu time spent up to now is 245.8 secs Computing kpt #: 328 total cpu time spent up to now is 246.5 secs Computing kpt #: 329 total cpu time spent up to now is 247.2 secs Computing kpt #: 330 total cpu time spent up to now is 247.8 secs Computing kpt #: 331 total cpu time spent up to now is 248.5 secs Computing kpt #: 332 total cpu time spent up to now is 249.1 secs Computing kpt #: 333 total cpu time spent up to now is 249.7 secs Computing kpt #: 334 total cpu time spent up to now is 250.3 secs Computing kpt #: 335 total cpu time spent up to now is 250.8 secs Computing kpt #: 336 total cpu time spent up to now is 251.3 secs Computing kpt #: 337 total cpu time spent up to now is 251.9 secs Computing kpt #: 338 total cpu time spent up to now is 252.4 secs Computing kpt #: 339 total cpu time spent up to now is 253.0 secs Computing kpt #: 340 total cpu time spent up to now is 253.5 secs Computing kpt #: 341 total cpu time spent up to now is 254.0 secs Computing kpt #: 342 total cpu time spent up to now is 254.5 secs Computing kpt #: 343 total cpu time spent up to now is 255.0 secs Computing kpt #: 344 total cpu time spent up to now is 255.5 secs Computing kpt #: 345 total cpu time spent up to now is 256.0 secs Computing kpt #: 346 total cpu time spent up to now is 256.6 secs Computing kpt #: 347 total cpu time spent up to now is 257.1 secs Computing kpt #: 348 total cpu time spent up to now is 257.6 secs Computing kpt #: 349 total cpu time spent up to now is 258.1 secs Computing kpt #: 350 total cpu time spent up to now is 258.6 secs Computing kpt #: 351 total cpu time spent up to now is 259.1 secs Computing kpt #: 352 total cpu time spent up to now is 259.6 secs Computing kpt #: 353 total cpu time spent up to now is 260.1 secs Computing kpt #: 354 total cpu time spent up to now is 260.5 secs Computing kpt #: 355 total cpu time spent up to now is 261.0 secs Computing kpt #: 356 total cpu time spent up to now is 261.5 secs Computing kpt #: 357 total cpu time spent up to now is 262.0 secs Computing kpt #: 358 total cpu time spent up to now is 262.5 secs ethr = 2.94E-08, avg # of iterations = 69.3 total cpu time spent up to now is 262.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5140 -15.5140 -15.3653 -15.3653 -15.1610 -15.1610 -15.1069 -15.1069 -15.0063 -15.0063 -14.9520 -14.9520 -9.5575 -9.5575 -9.2631 -9.2631 1.3693 1.3693 2.5550 2.5550 2.6204 2.6204 2.7011 2.7011 2.8990 2.8990 2.9740 2.9740 6.6763 6.6763 7.3846 7.3846 9.4001 9.4001 9.8197 9.8197 9.9518 9.9519 k = 0.0000 0.0122-0.0000 ( 3619 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5141 -15.5141 -15.3654 -15.3654 -15.1610 -15.1610 -15.1070 -15.1070 -15.0063 -15.0063 -14.9521 -14.9521 -9.5571 -9.5571 -9.2630 -9.2630 1.3702 1.3702 2.5507 2.5507 2.6222 2.6222 2.7013 2.7013 2.8974 2.8974 2.9723 2.9723 6.6795 6.6795 7.3864 7.3864 9.4022 9.4022 9.8174 9.8174 9.9499 9.9499 k = 0.0000 0.0244-0.0000 ( 3617 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5141 -15.5141 -15.3660 -15.3660 -15.1608 -15.1608 -15.1073 -15.1073 -15.0062 -15.0062 -14.9524 -14.9524 -9.5559 -9.5559 -9.2624 -9.2624 1.3727 1.3727 2.5390 2.5390 2.6266 2.6266 2.7021 2.7021 2.8922 2.8922 2.9674 2.9674 6.6890 6.6890 7.3918 7.3918 9.4085 9.4086 9.8104 9.8104 9.9445 9.9445 k = 0.0000 0.0366-0.0000 ( 3605 PWs) bands (ev): -34.1963 -34.1963 -34.1372 -34.1372 -15.5141 -15.5141 -15.3668 -15.3668 -15.1605 -15.1605 -15.1077 -15.1077 -15.0060 -15.0060 -14.9530 -14.9530 -9.5540 -9.5540 -9.2616 -9.2616 1.3769 1.3769 2.5219 2.5219 2.6317 2.6317 2.7032 2.7032 2.8825 2.8825 2.9604 2.9604 6.7047 6.7047 7.4006 7.4006 9.4190 9.4190 9.7983 9.7983 9.9359 9.9360 k = 0.0000 0.0488-0.0000 ( 3603 PWs) bands (ev): -34.1961 -34.1961 -34.1373 -34.1373 -15.5142 -15.5142 -15.3679 -15.3679 -15.1600 -15.1600 -15.1083 -15.1083 -15.0058 -15.0058 -14.9538 -14.9538 -9.5512 -9.5512 -9.2604 -9.2604 1.3828 1.3828 2.5006 2.5006 2.6364 2.6364 2.7044 2.7044 2.8675 2.8675 2.9526 2.9526 6.7264 6.7264 7.4128 7.4128 9.4332 9.4332 9.7811 9.7811 9.9239 9.9240 k = 0.0000 0.0610-0.0000 ( 3597 PWs) bands (ev): -34.1958 -34.1958 -34.1374 -34.1374 -15.5142 -15.5142 -15.3694 -15.3694 -15.1595 -15.1595 -15.1090 -15.1090 -15.0056 -15.0056 -14.9548 -14.9548 -9.5477 -9.5477 -9.2589 -9.2589 1.3903 1.3903 2.4757 2.4757 2.6403 2.6403 2.7056 2.7056 2.8465 2.8465 2.9451 2.9451 6.7538 6.7538 7.4282 7.4282 9.4512 9.4512 9.7590 9.7590 9.9083 9.9084 k = 0.0000 0.0732-0.0000 ( 3591 PWs) bands (ev): -34.1955 -34.1955 -34.1375 -34.1375 -15.5144 -15.5144 -15.3712 -15.3712 -15.1588 -15.1588 -15.1099 -15.1099 -15.0054 -15.0054 -14.9560 -14.9560 -9.5435 -9.5435 -9.2571 -9.2571 1.3995 1.3995 2.4477 2.4477 2.6433 2.6433 2.7061 2.7061 2.8200 2.8200 2.9383 2.9383 6.7864 6.7864 7.4465 7.4465 9.4724 9.4724 9.7326 9.7326 9.8895 9.8895 k = 0.0000 0.0854-0.0000 ( 3595 PWs) bands (ev): -34.1951 -34.1951 -34.1377 -34.1377 -15.5145 -15.5145 -15.3734 -15.3734 -15.1581 -15.1581 -15.1110 -15.1110 -15.0052 -15.0052 -14.9573 -14.9573 -9.5385 -9.5385 -9.2550 -9.2550 1.4103 1.4103 2.4167 2.4167 2.6453 2.6453 2.7048 2.7048 2.7899 2.7899 2.9321 2.9321 6.8238 6.8238 7.4677 7.4677 9.4964 9.4964 9.7032 9.7032 9.8685 9.8685 k = 0.0000 0.0976-0.0000 ( 3599 PWs) bands (ev): -34.1946 -34.1946 -34.1379 -34.1379 -15.5147 -15.5147 -15.3758 -15.3758 -15.1573 -15.1573 -15.1121 -15.1121 -15.0050 -15.0050 -14.9589 -14.9589 -9.5329 -9.5329 -9.2527 -9.2527 1.4227 1.4227 2.3831 2.3831 2.6461 2.6461 2.6980 2.6980 2.7606 2.7606 2.9263 2.9263 6.8657 6.8657 7.4913 7.4913 9.5227 9.5227 9.6719 9.6719 9.8459 9.8461 k = 0.0000 0.1098-0.0000 ( 3595 PWs) bands (ev): -34.1941 -34.1941 -34.1381 -34.1381 -15.5149 -15.5149 -15.3784 -15.3784 -15.1564 -15.1564 -15.1133 -15.1133 -15.0048 -15.0048 -14.9605 -14.9605 -9.5265 -9.5265 -9.2500 -9.2500 1.4367 1.4367 2.3470 2.3470 2.6434 2.6434 2.6795 2.6795 2.7415 2.7415 2.9205 2.9205 6.9114 6.9114 7.5170 7.5170 9.5506 9.5506 9.6398 9.6398 9.8223 9.8223 k = 0.0000 0.1220-0.0000 ( 3587 PWs) bands (ev): -34.1935 -34.1935 -34.1383 -34.1383 -15.5151 -15.5151 -15.3814 -15.3814 -15.1554 -15.1554 -15.1145 -15.1145 -15.0047 -15.0047 -14.9622 -14.9622 -9.5195 -9.5195 -9.2472 -9.2472 1.4521 1.4521 2.3087 2.3087 2.6239 2.6239 2.6616 2.6616 2.7344 2.7344 2.9147 2.9147 6.9606 6.9606 7.5445 7.5445 9.5791 9.5791 9.6079 9.6079 9.7981 9.7981 k = 0.0000 0.1341-0.0000 ( 3583 PWs) bands (ev): -34.1929 -34.1929 -34.1386 -34.1386 -15.5153 -15.5153 -15.3846 -15.3846 -15.1545 -15.1545 -15.1158 -15.1158 -15.0048 -15.0048 -14.9640 -14.9640 -9.5119 -9.5119 -9.2441 -9.2441 1.4691 1.4691 2.2684 2.2684 2.5819 2.5819 2.6574 2.6574 2.7322 2.7322 2.9088 2.9088 7.0126 7.0126 7.5733 7.5733 9.5765 9.5765 9.6077 9.6077 9.7740 9.7740 k = 0.0000 0.1463-0.0000 ( 3586 PWs) bands (ev): -34.1922 -34.1922 -34.1389 -34.1389 -15.5157 -15.5157 -15.3880 -15.3880 -15.1535 -15.1535 -15.1170 -15.1170 -15.0049 -15.0049 -14.9658 -14.9658 -9.5037 -9.5037 -9.2409 -9.2409 1.4875 1.4875 2.2264 2.2264 2.5319 2.5319 2.6567 2.6567 2.7316 2.7316 2.9027 2.9027 7.0671 7.0671 7.6030 7.6030 9.5473 9.5473 9.6346 9.6346 9.7502 9.7502 k = 0.0000 0.1585-0.0000 ( 3582 PWs) bands (ev): -34.1915 -34.1915 -34.1392 -34.1392 -15.5160 -15.5160 -15.3916 -15.3916 -15.1525 -15.1525 -15.1182 -15.1182 -15.0052 -15.0052 -14.9676 -14.9676 -9.4950 -9.4950 -9.2375 -9.2375 1.5073 1.5073 2.1830 2.1830 2.4782 2.4782 2.6566 2.6566 2.7313 2.7313 2.8964 2.8964 7.1235 7.1235 7.6332 7.6332 9.5204 9.5204 9.6590 9.6590 9.7271 9.7271 k = 0.0000 0.1707-0.0000 ( 3580 PWs) bands (ev): -34.1907 -34.1907 -34.1395 -34.1395 -15.5163 -15.5163 -15.3955 -15.3955 -15.1515 -15.1515 -15.1194 -15.1194 -15.0056 -15.0056 -14.9693 -14.9693 -9.4858 -9.4858 -9.2339 -9.2339 1.5284 1.5284 2.1384 2.1384 2.4223 2.4223 2.6567 2.6567 2.7309 2.7309 2.8899 2.8899 7.1814 7.1814 7.6633 7.6633 9.4966 9.4966 9.6796 9.6796 9.7051 9.7051 k = 0.0000 0.1829-0.0000 ( 3584 PWs) bands (ev): -34.1899 -34.1899 -34.1399 -34.1399 -15.5167 -15.5167 -15.3995 -15.3995 -15.1507 -15.1507 -15.1205 -15.1205 -15.0063 -15.0063 -14.9710 -14.9710 -9.4761 -9.4761 -9.2303 -9.2303 1.5508 1.5508 2.0930 2.0930 2.3650 2.3650 2.6568 2.6568 2.7303 2.7303 2.8832 2.8832 7.2402 7.2402 7.6928 7.6928 9.4766 9.4766 9.6837 9.6837 9.6961 9.6961 k = 0.0000 0.1951-0.0000 ( 3588 PWs) bands (ev): -34.1890 -34.1890 -34.1403 -34.1403 -15.5172 -15.5172 -15.4037 -15.4037 -15.1499 -15.1499 -15.1215 -15.1215 -15.0071 -15.0071 -14.9726 -14.9726 -9.4660 -9.4660 -9.2266 -9.2266 1.5743 1.5743 2.0471 2.0471 2.3069 2.3069 2.6569 2.6569 2.7292 2.7292 2.8762 2.8762 7.2994 7.2994 7.7211 7.7211 9.4609 9.4609 9.6647 9.6647 9.7065 9.7065 k = 0.0000 0.2073-0.0000 ( 3582 PWs) bands (ev): -34.1881 -34.1881 -34.1407 -34.1407 -15.5176 -15.5176 -15.4080 -15.4080 -15.1491 -15.1491 -15.1223 -15.1223 -15.0080 -15.0080 -14.9740 -14.9740 -9.4555 -9.4555 -9.2229 -9.2229 1.5990 1.5990 2.0008 2.0008 2.2483 2.2483 2.6570 2.6570 2.7275 2.7275 2.8691 2.8691 7.3587 7.3587 7.7479 7.7479 9.4500 9.4500 9.6472 9.6472 9.7117 9.7117 k = 0.0000 0.2195-0.0000 ( 3588 PWs) bands (ev): -34.1872 -34.1872 -34.1412 -34.1412 -15.5180 -15.5180 -15.4124 -15.4124 -15.1485 -15.1485 -15.1230 -15.1230 -15.0090 -15.0090 -14.9754 -14.9754 -9.4447 -9.4447 -9.2192 -9.2192 1.6245 1.6245 1.9547 1.9547 2.1898 2.1898 2.6571 2.6571 2.7252 2.7252 2.8618 2.8618 7.4174 7.4174 7.7725 7.7725 9.4443 9.4443 9.6314 9.6314 9.7119 9.7119 k = 0.0000 0.2317-0.0000 ( 3598 PWs) bands (ev): -34.1862 -34.1862 -34.1417 -34.1417 -15.5185 -15.5185 -15.4170 -15.4170 -15.1481 -15.1481 -15.1235 -15.1235 -15.0103 -15.0103 -14.9768 -14.9768 -9.4336 -9.4336 -9.2156 -9.2156 1.6508 1.6508 1.9090 1.9090 2.1318 2.1318 2.6571 2.6571 2.7222 2.7222 2.8544 2.8544 7.4750 7.4750 7.7945 7.7945 9.4442 9.4442 9.6177 9.6177 9.7079 9.7079 k = 0.0000 0.2439-0.0000 ( 3596 PWs) bands (ev): -34.1852 -34.1852 -34.1422 -34.1422 -15.5190 -15.5190 -15.4217 -15.4217 -15.1477 -15.1477 -15.1238 -15.1238 -15.0115 -15.0115 -14.9780 -14.9780 -9.4223 -9.4223 -9.2120 -9.2120 1.6773 1.6773 1.8642 1.8642 2.0746 2.0746 2.6572 2.6572 2.7184 2.7184 2.8469 2.8469 7.5310 7.5310 7.8139 7.8139 9.4497 9.4497 9.6062 9.6062 9.7011 9.7011 k = 0.0000 0.2561-0.0000 ( 3604 PWs) bands (ev): -34.1841 -34.1841 -34.1428 -34.1428 -15.5194 -15.5194 -15.4264 -15.4264 -15.1475 -15.1475 -15.1241 -15.1241 -15.0128 -15.0128 -14.9792 -14.9792 -9.4108 -9.4108 -9.2085 -9.2085 1.7030 1.7030 1.8215 1.8215 2.0188 2.0188 2.6572 2.6572 2.7139 2.7139 2.8392 2.8392 7.5848 7.5848 7.8302 7.8302 9.4609 9.4609 9.5970 9.5970 9.6927 9.6927 k = 0.0000 0.2683-0.0000 ( 3606 PWs) bands (ev): -34.1830 -34.1830 -34.1434 -34.1434 -15.5199 -15.5199 -15.4312 -15.4312 -15.1474 -15.1474 -15.1242 -15.1242 -15.0140 -15.0140 -14.9803 -14.9803 -9.3992 -9.3992 -9.2052 -9.2052 1.7227 1.7227 1.7856 1.7856 1.9652 1.9652 2.6572 2.6572 2.7085 2.7085 2.8314 2.8314 7.6360 7.6360 7.8435 7.8435 9.4774 9.4774 9.5901 9.5901 9.6840 9.6840 k = 0.0000 0.2805-0.0000 ( 3606 PWs) bands (ev): -34.1819 -34.1819 -34.1440 -34.1440 -15.5203 -15.5203 -15.4359 -15.4359 -15.1473 -15.1473 -15.1243 -15.1243 -15.0152 -15.0152 -14.9814 -14.9814 -9.3875 -9.3875 -9.2021 -9.2021 1.7139 1.7139 1.7775 1.7775 1.9157 1.9157 2.6571 2.6571 2.7024 2.7024 2.8234 2.8234 7.6839 7.6839 7.8539 7.8539 9.4987 9.4987 9.5857 9.5857 9.6763 9.6763 k = 0.0000 0.2927-0.0000 ( 3610 PWs) bands (ev): -34.1808 -34.1808 -34.1446 -34.1446 -15.5206 -15.5206 -15.4408 -15.4408 -15.1473 -15.1473 -15.1243 -15.1243 -15.0163 -15.0163 -14.9826 -14.9826 -9.3758 -9.3758 -9.1992 -9.1992 1.6798 1.6798 1.7873 1.7873 1.8772 1.8772 2.6569 2.6569 2.6955 2.6955 2.8154 2.8154 7.7280 7.7280 7.8615 7.8615 9.5239 9.5239 9.5838 9.5838 9.6704 9.6704 k = 0.0000 0.3049-0.0000 ( 3618 PWs) bands (ev): -34.1796 -34.1796 -34.1453 -34.1453 -15.5210 -15.5210 -15.4456 -15.4456 -15.1473 -15.1473 -15.1243 -15.1243 -15.0173 -15.0173 -14.9837 -14.9837 -9.3641 -9.3641 -9.1966 -9.1966 1.6419 1.6419 1.7739 1.7739 1.8697 1.8697 2.6562 2.6562 2.6881 2.6881 2.8074 2.8074 7.7680 7.7680 7.8666 7.8666 9.5520 9.5520 9.5845 9.5845 9.6673 9.6673 k = 0.0000 0.3171-0.0000 ( 3618 PWs) bands (ev): -34.1785 -34.1785 -34.1461 -34.1461 -15.5212 -15.5212 -15.4503 -15.4503 -15.1472 -15.1472 -15.1244 -15.1244 -15.0181 -15.0181 -14.9848 -14.9848 -9.3525 -9.3525 -9.1943 -9.1943 1.6046 1.6046 1.7368 1.7368 1.8898 1.8898 2.6546 2.6546 2.6807 2.6807 2.7993 2.7993 7.8035 7.8035 7.8696 7.8696 9.5809 9.5809 9.5885 9.5885 9.6673 9.6673 k = 0.0000 0.3293-0.0000 ( 3624 PWs) bands (ev): -34.1773 -34.1773 -34.1468 -34.1468 -15.5214 -15.5214 -15.4550 -15.4550 -15.1472 -15.1472 -15.1245 -15.1245 -15.0187 -15.0187 -14.9860 -14.9860 -9.3410 -9.3410 -9.1924 -9.1924 1.5688 1.5688 1.6942 1.6942 1.9184 1.9184 2.6508 2.6508 2.6745 2.6745 2.7912 2.7912 7.8341 7.8341 7.8710 7.8710 9.5928 9.5928 9.6121 9.6121 9.6707 9.6707 k = 0.0000 0.3415-0.0000 ( 3626 PWs) bands (ev): -34.1761 -34.1761 -34.1476 -34.1476 -15.5215 -15.5215 -15.4597 -15.4597 -15.1470 -15.1470 -15.1248 -15.1248 -15.0191 -15.0191 -14.9873 -14.9873 -9.3296 -9.3296 -9.1908 -9.1908 1.5349 1.5349 1.6517 1.6517 1.9498 1.9498 2.6435 2.6435 2.6708 2.6708 2.7831 2.7831 7.8598 7.8598 7.8711 7.8711 9.6013 9.6013 9.6405 9.6405 9.6776 9.6776 k = 0.0000 0.3537-0.0000 ( 3622 PWs) bands (ev): -34.1749 -34.1749 -34.1484 -34.1484 -15.5214 -15.5214 -15.4642 -15.4642 -15.1468 -15.1468 -15.1251 -15.1251 -15.0192 -15.0192 -14.9885 -14.9885 -9.3185 -9.3185 -9.1896 -9.1896 1.5031 1.5031 1.6108 1.6108 1.9825 1.9825 2.6328 2.6328 2.6694 2.6694 2.7750 2.7750 7.8701 7.8701 7.8809 7.8809 9.6123 9.6123 9.6666 9.6666 9.6877 9.6877 k = 0.0000 0.3659-0.0000 ( 3618 PWs) bands (ev): -34.1736 -34.1736 -34.1492 -34.1492 -15.5212 -15.5212 -15.4687 -15.4687 -15.1465 -15.1465 -15.1255 -15.1255 -15.0192 -15.0192 -14.9899 -14.9899 -9.3076 -9.3076 -9.1888 -9.1888 1.4736 1.4736 1.5720 1.5720 2.0159 2.0159 2.6196 2.6196 2.6693 2.6693 2.7671 2.7671 7.8689 7.8689 7.8969 7.8969 9.6258 9.6258 9.6897 9.6897 9.7004 9.7004 k = 0.0000 0.3780-0.0000 ( 3610 PWs) bands (ev): -34.1724 -34.1724 -34.1501 -34.1501 -15.5209 -15.5209 -15.4730 -15.4730 -15.1460 -15.1460 -15.1261 -15.1261 -15.0189 -15.0189 -14.9912 -14.9912 -9.2970 -9.2970 -9.1885 -9.1885 1.4466 1.4466 1.5357 1.5357 2.0497 2.0497 2.6045 2.6045 2.6700 2.6700 2.7594 2.7594 7.8675 7.8675 7.9087 7.9087 9.6419 9.6419 9.7096 9.7096 9.7152 9.7152 k = 0.0000 0.3902-0.0000 ( 3610 PWs) bands (ev): -34.1712 -34.1712 -34.1510 -34.1510 -15.5204 -15.5204 -15.4773 -15.4773 -15.1455 -15.1455 -15.1268 -15.1268 -15.0184 -15.0184 -14.9927 -14.9927 -9.2868 -9.2868 -9.1887 -9.1887 1.4222 1.4222 1.5021 1.5021 2.0836 2.0836 2.5878 2.5878 2.6712 2.6712 2.7518 2.7518 7.8663 7.8663 7.9164 7.9164 9.6604 9.6604 9.7267 9.7267 9.7310 9.7310 k = 0.0000 0.4024-0.0000 ( 3618 PWs) bands (ev): -34.1699 -34.1699 -34.1519 -34.1519 -15.5198 -15.5198 -15.4814 -15.4814 -15.1449 -15.1449 -15.1277 -15.1277 -15.0178 -15.0178 -14.9942 -14.9942 -9.2769 -9.2769 -9.1894 -9.1894 1.4005 1.4005 1.4713 1.4713 2.1176 2.1176 2.5696 2.5696 2.6728 2.6728 2.7445 2.7445 7.8655 7.8655 7.9206 7.9206 9.6814 9.6814 9.7419 9.7419 9.7465 9.7465 k = 0.0000 0.4146-0.0000 ( 3612 PWs) bands (ev): -34.1687 -34.1687 -34.1529 -34.1529 -15.5189 -15.5189 -15.4853 -15.4853 -15.1441 -15.1441 -15.1286 -15.1286 -15.0169 -15.0169 -14.9958 -14.9958 -9.2675 -9.2675 -9.1906 -9.1906 1.3816 1.3816 1.4433 1.4433 2.1514 2.1514 2.5498 2.5498 2.6748 2.6748 2.7375 2.7375 7.8655 7.8655 7.9219 7.9219 9.7048 9.7048 9.7553 9.7553 9.7611 9.7611 k = 0.0000 0.4268-0.0000 ( 3616 PWs) bands (ev): -34.1675 -34.1675 -34.1539 -34.1539 -15.5179 -15.5179 -15.4890 -15.4890 -15.1433 -15.1433 -15.1296 -15.1296 -15.0159 -15.0159 -14.9974 -14.9974 -9.2584 -9.2584 -9.1924 -9.1924 1.3656 1.3656 1.4184 1.4184 2.1849 2.1849 2.5287 2.5287 2.6771 2.6771 2.7307 2.7307 7.8662 7.8662 7.9207 7.9207 9.7304 9.7304 9.7670 9.7670 9.7745 9.7745 k = 0.0000 0.4390-0.0000 ( 3610 PWs) bands (ev): -34.1662 -34.1662 -34.1549 -34.1549 -15.5166 -15.5166 -15.4926 -15.4926 -15.1424 -15.1424 -15.1307 -15.1307 -15.0147 -15.0147 -14.9990 -14.9990 -9.2499 -9.2499 -9.1947 -9.1947 1.3527 1.3527 1.3965 1.3965 2.2181 2.2181 2.5061 2.5061 2.6797 2.6797 2.7244 2.7244 7.8678 7.8678 7.9175 7.9175 9.7581 9.7581 9.7772 9.7772 9.7860 9.7860 k = 0.0000 0.4512-0.0000 ( 3608 PWs) bands (ev): -34.1650 -34.1650 -34.1559 -34.1559 -15.5152 -15.5152 -15.4960 -15.4960 -15.1414 -15.1414 -15.1319 -15.1319 -15.0134 -15.0134 -15.0007 -15.0007 -9.2419 -9.2419 -9.1976 -9.1976 1.3428 1.3428 1.3777 1.3777 2.2507 2.2507 2.4822 2.4822 2.6826 2.6826 2.7183 2.7183 7.8703 7.8703 7.9130 7.9130 9.7838 9.7838 9.7892 9.7892 9.7962 9.7962 k = 0.0000 0.4634-0.0000 ( 3612 PWs) bands (ev): -34.1638 -34.1638 -34.1570 -34.1570 -15.5136 -15.5136 -15.4991 -15.4991 -15.1404 -15.1404 -15.1331 -15.1331 -15.0120 -15.0120 -15.0023 -15.0023 -9.2343 -9.2343 -9.2011 -9.2011 1.3360 1.3360 1.3621 1.3621 2.2828 2.2828 2.4570 2.4570 2.6858 2.6858 2.7126 2.7126 7.8738 7.8738 7.9074 7.9074 9.7926 9.7926 9.8006 9.8006 9.8221 9.8221 k = 0.0000 0.4756-0.0000 ( 3614 PWs) bands (ev): -34.1627 -34.1627 -34.1581 -34.1581 -15.5117 -15.5117 -15.5021 -15.5021 -15.1392 -15.1392 -15.1344 -15.1344 -15.0106 -15.0106 -15.0040 -15.0040 -9.2274 -9.2274 -9.2052 -9.2052 1.3323 1.3323 1.3497 1.3497 2.3141 2.3141 2.4306 2.4306 2.6894 2.6894 2.7073 2.7073 7.8781 7.8781 7.9013 7.9013 9.7987 9.7987 9.8049 9.8049 9.8559 9.8559 k = 0.0000 0.4878-0.0000 ( 3626 PWs) bands (ev): -34.1615 -34.1615 -34.1592 -34.1592 -15.5097 -15.5097 -15.5049 -15.5049 -15.1381 -15.1381 -15.1356 -15.1356 -15.0090 -15.0090 -15.0057 -15.0057 -9.2210 -9.2210 -9.2099 -9.2099 1.3318 1.3318 1.3405 1.3405 2.3447 2.3447 2.4030 2.4030 2.6933 2.6933 2.7023 2.7023 7.8832 7.8832 7.8951 7.8951 9.8031 9.8031 9.8065 9.8065 9.8918 9.8918 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5074 -15.5074 -15.5074 -15.5074 -15.1369 -15.1369 -15.1369 -15.1369 -15.0074 -15.0074 -15.0074 -15.0074 -9.2151 -9.2151 -9.2151 -9.2151 1.3346 1.3346 1.3346 1.3346 2.3743 2.3743 2.3743 2.3743 2.6976 2.6976 2.6976 2.6976 7.8889 7.8889 7.8889 7.8889 9.8058 9.8058 9.8058 9.8058 9.9295 9.9295 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5074 -15.5074 -15.5074 -15.5074 -15.1369 -15.1369 -15.1369 -15.1369 -15.0074 -15.0074 -15.0074 -15.0074 -9.2151 -9.2151 -9.2151 -9.2151 1.3346 1.3346 1.3346 1.3346 2.3743 2.3743 2.3743 2.3743 2.6976 2.6976 2.6976 2.6976 7.8889 7.8889 7.8889 7.8889 9.8058 9.8058 9.8058 9.8058 9.9295 9.9295 k = 0.0122 0.5000-0.0000 ( 3620 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5080 -15.5080 -15.5067 -15.5067 -15.1398 -15.1398 -15.1339 -15.1339 -15.0098 -15.0098 -15.0052 -15.0052 -9.2151 -9.2151 -9.2151 -9.2151 1.3351 1.3351 1.3351 1.3351 2.3731 2.3731 2.3755 2.3755 2.6948 2.6948 2.6977 2.6977 7.8880 7.8880 7.8882 7.8882 9.8057 9.8057 9.8059 9.8059 9.9307 9.9315 k = 0.0244 0.5000-0.0000 ( 3616 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5086 -15.5086 -15.5060 -15.5060 -15.1428 -15.1428 -15.1311 -15.1311 -15.0123 -15.0123 -15.0031 -15.0031 -9.2150 -9.2150 -9.2150 -9.2150 1.3367 1.3367 1.3367 1.3367 2.3717 2.3717 2.3766 2.3766 2.6893 2.6893 2.6951 2.6951 7.8855 7.8855 7.8859 7.8859 9.8053 9.8053 9.8058 9.8058 9.9360 9.9378 k = 0.0366 0.5000-0.0000 ( 3610 PWs) bands (ev): -34.1602 -34.1602 -34.1602 -34.1602 -15.5091 -15.5091 -15.5052 -15.5052 -15.1458 -15.1458 -15.1283 -15.1283 -15.0149 -15.0149 -15.0013 -15.0013 -9.2148 -9.2148 -9.2148 -9.2148 1.3393 1.3393 1.3394 1.3394 2.3701 2.3701 2.3775 2.3775 2.6811 2.6811 2.6899 2.6899 7.8815 7.8815 7.8821 7.8821 9.8049 9.8049 9.8055 9.8055 9.9437 9.9454 k = 0.0488 0.5000-0.0000 ( 3610 PWs) bands (ev): -34.1602 -34.1602 -34.1602 -34.1602 -15.5095 -15.5095 -15.5044 -15.5044 -15.1488 -15.1488 -15.1255 -15.1255 -15.0178 -15.0178 -14.9996 -14.9996 -9.2146 -9.2146 -9.2146 -9.2146 1.3429 1.3429 1.3430 1.3430 2.3683 2.3683 2.3784 2.3784 2.6703 2.6703 2.6822 2.6822 7.8760 7.8760 7.8768 7.8768 9.8041 9.8041 9.8049 9.8049 9.9557 9.9561 k = 0.0610 0.5000-0.0000 ( 3614 PWs) bands (ev): -34.1601 -34.1601 -34.1601 -34.1601 -15.5099 -15.5099 -15.5035 -15.5035 -15.1518 -15.1518 -15.1228 -15.1228 -15.0208 -15.0208 -14.9981 -14.9981 -9.2144 -9.2144 -9.2144 -9.2144 1.3476 1.3476 1.3477 1.3477 2.3663 2.3663 2.3792 2.3792 2.6569 2.6569 2.6720 2.6720 7.8691 7.8691 7.8701 7.8701 9.8030 9.8030 9.8040 9.8040 9.9709 9.9717 k = 0.0732 0.5000-0.0000 ( 3618 PWs) bands (ev): -34.1600 -34.1600 -34.1600 -34.1600 -15.5103 -15.5103 -15.5027 -15.5027 -15.1549 -15.1549 -15.1202 -15.1202 -15.0239 -15.0239 -14.9967 -14.9967 -9.2140 -9.2140 -9.2140 -9.2140 1.3532 1.3532 1.3533 1.3533 2.3640 2.3640 2.3799 2.3799 2.6412 2.6412 2.6597 2.6597 7.8611 7.8611 7.8623 7.8623 9.8015 9.8015 9.8025 9.8025 9.9898 9.9902 k = 0.0854 0.5000-0.0000 ( 3610 PWs) bands (ev): -34.1599 -34.1599 -34.1599 -34.1599 -15.5106 -15.5106 -15.5018 -15.5018 -15.1579 -15.1579 -15.1176 -15.1176 -15.0271 -15.0271 -14.9956 -14.9956 -9.2136 -9.2136 -9.2136 -9.2136 1.3597 1.3597 1.3598 1.3598 2.3614 2.3614 2.3805 2.3805 2.6232 2.6232 2.6455 2.6455 7.8520 7.8520 7.8534 7.8534 9.7994 9.7994 9.8005 9.8005 10.0119 10.0144 k = 0.0976 0.5000-0.0000 ( 3610 PWs) bands (ev): -34.1598 -34.1598 -34.1598 -34.1598 -15.5109 -15.5109 -15.5009 -15.5009 -15.1608 -15.1608 -15.1151 -15.1151 -15.0305 -15.0305 -14.9946 -14.9946 -9.2132 -9.2132 -9.2132 -9.2132 1.3671 1.3671 1.3671 1.3671 2.3583 2.3583 2.3809 2.3809 2.6032 2.6032 2.6294 2.6294 7.8422 7.8422 7.8437 7.8437 9.7967 9.7967 9.7978 9.7978 10.0375 10.0382 k = 0.1098 0.5000-0.0000 ( 3614 PWs) bands (ev): -34.1596 -34.1596 -34.1596 -34.1596 -15.5111 -15.5111 -15.5000 -15.5000 -15.1638 -15.1638 -15.1126 -15.1126 -15.0340 -15.0340 -14.9938 -14.9938 -9.2127 -9.2127 -9.2127 -9.2127 1.3752 1.3752 1.3753 1.3753 2.3546 2.3546 2.3812 2.3812 2.5814 2.5814 2.6120 2.6120 7.8317 7.8317 7.8334 7.8334 9.7932 9.7932 9.7944 9.7944 10.0661 10.0663 k = 0.1220 0.5000-0.0000 ( 3614 PWs) bands (ev): -34.1594 -34.1594 -34.1594 -34.1594 -15.5113 -15.5113 -15.4991 -15.4991 -15.1666 -15.1666 -15.1102 -15.1102 -15.0376 -15.0376 -14.9931 -14.9931 -9.2122 -9.2122 -9.2122 -9.2122 1.3841 1.3841 1.3843 1.3843 2.3503 2.3503 2.3813 2.3813 2.5580 2.5580 2.5935 2.5935 7.8208 7.8208 7.8226 7.8226 9.7890 9.7890 9.7901 9.7901 10.0979 10.0982 k = 0.1341 0.5000-0.0000 ( 3618 PWs) bands (ev): -34.1593 -34.1593 -34.1593 -34.1593 -15.5114 -15.5114 -15.4982 -15.4982 -15.1694 -15.1694 -15.1078 -15.1078 -15.0412 -15.0412 -14.9927 -14.9927 -9.2116 -9.2116 -9.2116 -9.2116 1.3935 1.3935 1.3939 1.3939 2.3450 2.3450 2.3810 2.3810 2.5333 2.5333 2.5743 2.5743 7.8096 7.8096 7.8116 7.8116 9.7838 9.7838 9.7848 9.7848 10.1327 10.1341 k = 0.1463 0.5000-0.0000 ( 3618 PWs) bands (ev): -34.1591 -34.1591 -34.1591 -34.1591 -15.5116 -15.5116 -15.4974 -15.4974 -15.1721 -15.1721 -15.1056 -15.1056 -15.0450 -15.0450 -14.9924 -14.9924 -9.2110 -9.2110 -9.2110 -9.2110 1.4035 1.4035 1.4041 1.4041 2.3387 2.3387 2.3801 2.3801 2.5079 2.5079 2.5548 2.5548 7.7984 7.7984 7.8006 7.8006 9.7777 9.7777 9.7786 9.7786 10.1701 10.1783 k = 0.1585 0.5000-0.0000 ( 3618 PWs) bands (ev): -34.1589 -34.1589 -34.1589 -34.1589 -15.5117 -15.5117 -15.4966 -15.4966 -15.1746 -15.1746 -15.1033 -15.1033 -15.0487 -15.0487 -14.9922 -14.9922 -9.2103 -9.2103 -9.2103 -9.2103 1.4140 1.4140 1.4148 1.4148 2.3309 2.3309 2.3785 2.3785 2.4821 2.4821 2.5356 2.5356 7.7874 7.7874 7.7897 7.7897 9.7706 9.7706 9.7714 9.7714 10.2106 10.2114 k = 0.1707 0.5000-0.0000 ( 3624 PWs) bands (ev): -34.1587 -34.1587 -34.1587 -34.1587 -15.5117 -15.5117 -15.4959 -15.4959 -15.1771 -15.1771 -15.1011 -15.1011 -15.0526 -15.0526 -14.9923 -14.9923 -9.2097 -9.2097 -9.2096 -9.2096 1.4248 1.4248 1.4259 1.4259 2.3216 2.3216 2.3752 2.3752 2.4570 2.4570 2.5171 2.5171 7.7767 7.7767 7.7791 7.7791 9.7624 9.7624 9.7632 9.7632 10.2535 10.2613 k = 0.1829 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1585 -34.1585 -34.1585 -34.1585 -15.5118 -15.5118 -15.4952 -15.4952 -15.1794 -15.1794 -15.0990 -15.0990 -15.0565 -15.0565 -14.9925 -14.9925 -9.2089 -9.2089 -9.2089 -9.2089 1.4358 1.4358 1.4372 1.4372 2.3104 2.3104 2.3687 2.3687 2.4345 2.4345 2.4998 2.4998 7.7665 7.7665 7.7690 7.7690 9.7532 9.7532 9.7538 9.7538 10.2985 10.2995 k = 0.1951 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1583 -34.1583 -34.1583 -34.1583 -15.5118 -15.5118 -15.4946 -15.4946 -15.1815 -15.1815 -15.0969 -15.0969 -15.0604 -15.0604 -14.9928 -14.9928 -9.2082 -9.2082 -9.2082 -9.2082 1.4469 1.4469 1.4488 1.4488 2.2972 2.2972 2.3564 2.3564 2.4174 2.4174 2.4841 2.4841 7.7570 7.7570 7.7595 7.7595 9.7429 9.7429 9.7434 9.7434 10.3461 10.3462 k = 0.2073 0.5000-0.0000 ( 3636 PWs) bands (ev): -34.1580 -34.1580 -34.1580 -34.1580 -15.5119 -15.5119 -15.4942 -15.4942 -15.1834 -15.1834 -15.0950 -15.0950 -15.0643 -15.0643 -14.9933 -14.9933 -9.2074 -9.2074 -9.2074 -9.2074 1.4580 1.4580 1.4603 1.4603 2.2820 2.2820 2.3372 2.3372 2.4070 2.4070 2.4702 2.4702 7.7482 7.7482 7.7508 7.7508 9.7314 9.7314 9.7319 9.7319 10.3959 10.3960 k = 0.2195 0.5000-0.0000 ( 3636 PWs) bands (ev): -34.1578 -34.1578 -34.1578 -34.1578 -15.5119 -15.5119 -15.4937 -15.4937 -15.1851 -15.1851 -15.0931 -15.0931 -15.0681 -15.0681 -14.9940 -14.9940 -9.2066 -9.2066 -9.2066 -9.2066 1.4690 1.4690 1.4718 1.4718 2.2651 2.2651 2.3133 2.3133 2.4014 2.4014 2.4582 2.4582 7.7403 7.7403 7.7430 7.7430 9.7190 9.7190 9.7193 9.7193 10.4475 10.4478 k = 0.2317 0.5000-0.0000 ( 3636 PWs) bands (ev): -34.1576 -34.1576 -34.1576 -34.1576 -15.5119 -15.5119 -15.4934 -15.4934 -15.1866 -15.1866 -15.0913 -15.0913 -15.0718 -15.0718 -14.9947 -14.9947 -9.2059 -9.2059 -9.2058 -9.2058 1.4797 1.4797 1.4831 1.4831 2.2468 2.2468 2.2874 2.2874 2.3982 2.3982 2.4480 2.4480 7.7335 7.7335 7.7361 7.7361 9.7054 9.7054 9.7056 9.7056 10.5009 10.5012 k = 0.2439 0.5000-0.0000 ( 3636 PWs) bands (ev): -34.1573 -34.1573 -34.1573 -34.1573 -15.5119 -15.5119 -15.4932 -15.4932 -15.1878 -15.1878 -15.0899 -15.0899 -15.0751 -15.0751 -14.9956 -14.9956 -9.2050 -9.2050 -9.2050 -9.2050 1.4900 1.4900 1.4939 1.4939 2.2275 2.2275 2.2609 2.2609 2.3960 2.3960 2.4392 2.4392 7.7277 7.7277 7.7304 7.7304 9.6908 9.6908 9.6909 9.6909 10.5558 10.5561 k = 0.2561 0.5000-0.0000 ( 3636 PWs) bands (ev): -34.1571 -34.1571 -34.1571 -34.1571 -15.5119 -15.5119 -15.4931 -15.4931 -15.1888 -15.1888 -15.0893 -15.0893 -15.0777 -15.0777 -14.9967 -14.9967 -9.2042 -9.2042 -9.2042 -9.2042 1.4997 1.4997 1.5043 1.5043 2.2079 2.2079 2.2348 2.2348 2.3943 2.3943 2.4318 2.4318 7.7231 7.7231 7.7257 7.7257 9.6751 9.6751 9.6751 9.6751 10.6132 10.6149 k = 0.2683 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1568 -34.1568 -34.1568 -34.1568 -15.5119 -15.5119 -15.4931 -15.4931 -15.1896 -15.1896 -15.0902 -15.0902 -15.0787 -15.0787 -14.9978 -14.9978 -9.2034 -9.2034 -9.2034 -9.2034 1.5087 1.5087 1.5140 1.5140 2.1882 2.1882 2.2096 2.2096 2.3929 2.3929 2.4253 2.4253 7.7197 7.7197 7.7223 7.7223 9.6584 9.6584 9.6586 9.6586 10.6693 10.6701 k = 0.2805 0.5000-0.0000 ( 3624 PWs) bands (ev): -34.1566 -34.1566 -34.1566 -34.1566 -15.5119 -15.5119 -15.4933 -15.4933 -15.1901 -15.1901 -15.0925 -15.0925 -15.0783 -15.0783 -14.9991 -14.9991 -9.2026 -9.2026 -9.2026 -9.2026 1.5169 1.5169 1.5228 1.5228 2.1691 2.1691 2.1855 2.1855 2.3916 2.3916 2.4196 2.4196 7.7174 7.7174 7.7200 7.7200 9.6409 9.6409 9.6411 9.6411 10.7272 10.7322 k = 0.2927 0.5000-0.0000 ( 3622 PWs) bands (ev): -34.1564 -34.1564 -34.1564 -34.1564 -15.5119 -15.5119 -15.4935 -15.4935 -15.1903 -15.1903 -15.0958 -15.0958 -15.0769 -15.0769 -15.0005 -15.0005 -9.2019 -9.2019 -9.2018 -9.2018 1.5242 1.5242 1.5307 1.5307 2.1508 2.1508 2.1629 2.1629 2.3902 2.3902 2.4145 2.4145 7.7164 7.7164 7.7188 7.7188 9.6225 9.6225 9.6228 9.6228 10.7866 10.7915 k = 0.3049 0.5000-0.0000 ( 3622 PWs) bands (ev): -34.1561 -34.1561 -34.1561 -34.1561 -15.5119 -15.5119 -15.4939 -15.4939 -15.1902 -15.1902 -15.0994 -15.0994 -15.0752 -15.0752 -15.0021 -15.0021 -9.2011 -9.2011 -9.2011 -9.2011 1.5303 1.5303 1.5376 1.5376 2.1337 2.1337 2.1421 2.1421 2.3889 2.3889 2.4099 2.4099 7.7165 7.7165 7.7189 7.7189 9.6034 9.6034 9.6038 9.6038 10.8437 10.8487 k = 0.3171 0.5000-0.0000 ( 3626 PWs) bands (ev): -34.1559 -34.1559 -34.1559 -34.1559 -15.5118 -15.5118 -15.4944 -15.4944 -15.1899 -15.1899 -15.1032 -15.1032 -15.0733 -15.0733 -15.0037 -15.0037 -9.2004 -9.2004 -9.2003 -9.2003 1.5354 1.5354 1.5432 1.5432 2.1180 2.1180 2.1232 2.1232 2.3875 2.3875 2.4057 2.4057 7.7177 7.7177 7.7200 7.7200 9.5837 9.5837 9.5842 9.5842 10.9033 10.9132 k = 0.3293 0.5000-0.0000 ( 3618 PWs) bands (ev): -34.1557 -34.1557 -34.1557 -34.1557 -15.5118 -15.5118 -15.4950 -15.4950 -15.1893 -15.1893 -15.1070 -15.1070 -15.0712 -15.0712 -15.0054 -15.0054 -9.1996 -9.1996 -9.1996 -9.1996 1.5393 1.5393 1.5476 1.5476 2.1039 2.1039 2.1063 2.1063 2.3860 2.3860 2.4017 2.4017 7.7199 7.7199 7.7222 7.7222 9.5637 9.5637 9.5642 9.5642 10.9613 10.9695 k = 0.3415 0.5000-0.0000 ( 3616 PWs) bands (ev): -34.1555 -34.1555 -34.1555 -34.1555 -15.5117 -15.5117 -15.4956 -15.4956 -15.1885 -15.1885 -15.1109 -15.1109 -15.0690 -15.0690 -15.0073 -15.0073 -9.1989 -9.1989 -9.1989 -9.1989 1.5420 1.5420 1.5506 1.5506 2.0915 2.0915 2.0916 2.0916 2.3845 2.3845 2.3980 2.3980 7.7231 7.7231 7.7252 7.7252 9.5434 9.5434 9.5440 9.5440 11.0137 11.0233 k = 0.3537 0.5000-0.0000 ( 3616 PWs) bands (ev): -34.1553 -34.1553 -34.1553 -34.1553 -15.5116 -15.5116 -15.4964 -15.4964 -15.1874 -15.1874 -15.1147 -15.1147 -15.0668 -15.0668 -15.0092 -15.0092 -9.1983 -9.1983 -9.1983 -9.1983 1.5436 1.5436 1.5524 1.5524 2.0790 2.0790 2.0807 2.0807 2.3829 2.3829 2.3945 2.3945 7.7272 7.7272 7.7291 7.7291 9.5231 9.5231 9.5237 9.5237 11.0714 11.0744 k = 0.3659 0.5000-0.0000 ( 3620 PWs) bands (ev): -34.1551 -34.1551 -34.1551 -34.1551 -15.5115 -15.5115 -15.4972 -15.4972 -15.1861 -15.1861 -15.1186 -15.1186 -15.0646 -15.0646 -15.0112 -15.0112 -9.1977 -9.1977 -9.1976 -9.1976 1.5442 1.5442 1.5531 1.5531 2.0684 2.0684 2.0717 2.0717 2.3813 2.3813 2.3912 2.3912 7.7319 7.7319 7.7337 7.7337 9.5031 9.5031 9.5037 9.5037 11.1216 11.1274 k = 0.3780 0.5000-0.0000 ( 3612 PWs) bands (ev): -34.1549 -34.1549 -34.1549 -34.1549 -15.5113 -15.5113 -15.4980 -15.4980 -15.1845 -15.1845 -15.1224 -15.1224 -15.0622 -15.0622 -15.0133 -15.0133 -9.1971 -9.1971 -9.1971 -9.1971 1.5439 1.5439 1.5526 1.5526 2.0599 2.0599 2.0642 2.0642 2.3797 2.3797 2.3881 2.3881 7.7371 7.7371 7.7388 7.7388 9.4834 9.4834 9.4840 9.4840 11.1687 11.1712 k = 0.3902 0.5000-0.0000 ( 3624 PWs) bands (ev): -34.1548 -34.1548 -34.1548 -34.1548 -15.5112 -15.5112 -15.4990 -15.4990 -15.1827 -15.1827 -15.1263 -15.1263 -15.0599 -15.0599 -15.0155 -15.0155 -9.1966 -9.1966 -9.1965 -9.1965 1.5428 1.5428 1.5513 1.5513 2.0532 2.0532 2.0581 2.0581 2.3781 2.3781 2.3852 2.3852 7.7427 7.7427 7.7442 7.7442 9.4645 9.4645 9.4651 9.4651 11.2125 11.2160 k = 0.4024 0.5000-0.0000 ( 3626 PWs) bands (ev): -34.1546 -34.1546 -34.1546 -34.1546 -15.5109 -15.5109 -15.4999 -15.4999 -15.1807 -15.1807 -15.1301 -15.1301 -15.0575 -15.0575 -15.0178 -15.0178 -9.1961 -9.1961 -9.1961 -9.1961 1.5413 1.5413 1.5492 1.5492 2.0481 2.0481 2.0534 2.0534 2.3765 2.3765 2.3824 2.3824 7.7484 7.7484 7.7498 7.7498 9.4465 9.4465 9.4470 9.4470 11.2496 11.2537 k = 0.4146 0.5000-0.0000 ( 3612 PWs) bands (ev): -34.1545 -34.1545 -34.1545 -34.1545 -15.5106 -15.5106 -15.5008 -15.5008 -15.1785 -15.1785 -15.1338 -15.1338 -15.0550 -15.0550 -15.0200 -15.0200 -9.1956 -9.1956 -9.1956 -9.1956 1.5394 1.5394 1.5467 1.5467 2.0444 2.0444 2.0497 2.0497 2.3751 2.3751 2.3799 2.3799 7.7542 7.7542 7.7554 7.7554 9.4298 9.4298 9.4303 9.4303 11.2832 11.2865 k = 0.4268 0.5000-0.0000 ( 3608 PWs) bands (ev): -34.1544 -34.1544 -34.1544 -34.1544 -15.5103 -15.5103 -15.5018 -15.5018 -15.1761 -15.1761 -15.1375 -15.1375 -15.0525 -15.0525 -15.0224 -15.0224 -9.1952 -9.1952 -9.1952 -9.1952 1.5374 1.5374 1.5439 1.5439 2.0419 2.0419 2.0469 2.0469 2.3737 2.3737 2.3777 2.3777 7.7597 7.7597 7.7607 7.7607 9.4146 9.4146 9.4151 9.4151 11.3100 11.3145 k = 0.4390 0.5000-0.0000 ( 3602 PWs) bands (ev): -34.1543 -34.1543 -34.1543 -34.1543 -15.5098 -15.5098 -15.5027 -15.5027 -15.1735 -15.1735 -15.1412 -15.1412 -15.0500 -15.0500 -15.0248 -15.0248 -9.1949 -9.1949 -9.1949 -9.1949 1.5354 1.5354 1.5410 1.5410 2.0403 2.0403 2.0448 2.0448 2.3726 2.3726 2.3757 2.3757 7.7648 7.7648 7.7656 7.7656 9.4012 9.4012 9.4017 9.4017 11.3373 11.3380 k = 0.4512 0.5000-0.0000 ( 3596 PWs) bands (ev): -34.1542 -34.1542 -34.1542 -34.1542 -15.5094 -15.5094 -15.5036 -15.5036 -15.1707 -15.1707 -15.1448 -15.1448 -15.0475 -15.0475 -15.0272 -15.0272 -9.1946 -9.1946 -9.1946 -9.1946 1.5337 1.5337 1.5383 1.5383 2.0394 2.0394 2.0433 2.0433 2.3716 2.3716 2.3740 2.3740 7.7692 7.7692 7.7699 7.7699 9.3899 9.3899 9.3903 9.3903 11.3561 11.3564 k = 0.4634 0.5000-0.0000 ( 3596 PWs) bands (ev): -34.1541 -34.1541 -34.1541 -34.1541 -15.5088 -15.5088 -15.5045 -15.5045 -15.1679 -15.1679 -15.1483 -15.1483 -15.0450 -15.0450 -15.0297 -15.0297 -9.1944 -9.1944 -9.1944 -9.1944 1.5323 1.5323 1.5358 1.5358 2.0391 2.0391 2.0421 2.0421 2.3708 2.3708 2.3725 2.3725 7.7729 7.7729 7.7734 7.7734 9.3809 9.3809 9.3812 9.3812 11.3689 11.3705 k = 0.4756 0.5000-0.0000 ( 3592 PWs) bands (ev): -34.1541 -34.1541 -34.1541 -34.1541 -15.5083 -15.5083 -15.5053 -15.5053 -15.1649 -15.1649 -15.1518 -15.1518 -15.0424 -15.0424 -15.0322 -15.0322 -9.1943 -9.1943 -9.1943 -9.1943 1.5315 1.5315 1.5338 1.5338 2.0391 2.0391 2.0412 2.0412 2.3703 2.3703 2.3714 2.3714 7.7757 7.7757 7.7760 7.7760 9.3743 9.3743 9.3745 9.3745 11.3792 11.3801 k = 0.4878 0.5000-0.0000 ( 3588 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5076 -15.5076 -15.5061 -15.5061 -15.1617 -15.1617 -15.1552 -15.1552 -15.0398 -15.0398 -15.0347 -15.0347 -9.1942 -9.1942 -9.1942 -9.1942 1.5311 1.5311 1.5323 1.5323 2.0394 2.0394 2.0404 2.0404 2.3701 2.3701 2.3707 2.3707 7.7774 7.7774 7.7776 7.7776 9.3703 9.3703 9.3704 9.3704 11.3847 11.3854 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5069 -15.5069 -15.5069 -15.5069 -15.1585 -15.1585 -15.1585 -15.1585 -15.0372 -15.0372 -15.0372 -15.0372 -9.1941 -9.1941 -9.1941 -9.1941 1.5314 1.5314 1.5314 1.5314 2.0398 2.0398 2.0398 2.0398 2.3702 2.3702 2.3702 2.3702 7.7781 7.7781 7.7781 7.7781 9.3690 9.3690 9.3690 9.3690 11.3872 11.3872 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5069 -15.5069 -15.5069 -15.5069 -15.1585 -15.1585 -15.1585 -15.1585 -15.0372 -15.0372 -15.0372 -15.0372 -9.1941 -9.1941 -9.1941 -9.1941 1.5314 1.5314 1.5314 1.5314 2.0398 2.0398 2.0398 2.0398 2.3702 2.3702 2.3702 2.3702 7.7781 7.7781 7.7781 7.7781 9.3690 9.3690 9.3690 9.3690 11.3872 11.3872 k = 0.4914 0.4914-0.0000 ( 3586 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5076 -15.5076 -15.5061 -15.5061 -15.1617 -15.1617 -15.1552 -15.1552 -15.0398 -15.0398 -15.0347 -15.0347 -9.1943 -9.1943 -9.1941 -9.1941 1.5311 1.5311 1.5324 1.5324 2.0392 2.0392 2.0406 2.0406 2.3700 2.3700 2.3708 2.3708 7.7767 7.7767 7.7783 7.7783 9.3693 9.3693 9.3714 9.3714 11.3844 11.3864 k = 0.4828 0.4828-0.0000 ( 3578 PWs) bands (ev): -34.1541 -34.1541 -34.1540 -34.1540 -15.5082 -15.5082 -15.5053 -15.5053 -15.1648 -15.1648 -15.1518 -15.1518 -15.0424 -15.0424 -15.0322 -15.0322 -9.1947 -9.1947 -9.1938 -9.1938 1.5310 1.5310 1.5343 1.5343 2.0381 2.0381 2.0421 2.0421 2.3697 2.3697 2.3721 2.3721 7.7726 7.7726 7.7791 7.7791 9.3702 9.3702 9.3786 9.3786 11.3749 11.3763 k = 0.4741 0.4741-0.0000 ( 3586 PWs) bands (ev): -34.1543 -34.1543 -34.1539 -34.1539 -15.5088 -15.5088 -15.5044 -15.5044 -15.1679 -15.1679 -15.1483 -15.1483 -15.0449 -15.0449 -15.0297 -15.0297 -9.1955 -9.1955 -9.1934 -9.1934 1.5311 1.5311 1.5373 1.5373 2.0364 2.0364 2.0445 2.0445 2.3691 2.3691 2.3743 2.3743 7.7660 7.7660 7.7804 7.7804 9.3716 9.3716 9.3904 9.3904 11.3593 11.3594 k = 0.4655 0.4655-0.0000 ( 3590 PWs) bands (ev): -34.1545 -34.1545 -34.1538 -34.1538 -15.5094 -15.5094 -15.5035 -15.5035 -15.1707 -15.1707 -15.1448 -15.1448 -15.0475 -15.0475 -15.0272 -15.0272 -9.1965 -9.1965 -9.1928 -9.1928 1.5314 1.5314 1.5415 1.5415 2.0340 2.0340 2.0479 2.0479 2.3681 2.3681 2.3773 2.3773 7.7571 7.7571 7.7823 7.7823 9.3733 9.3733 9.4067 9.4067 11.3379 11.3380 k = 0.4569 0.4569-0.0000 ( 3592 PWs) bands (ev): -34.1548 -34.1548 -34.1537 -34.1537 -15.5099 -15.5099 -15.5025 -15.5025 -15.1735 -15.1735 -15.1412 -15.1412 -15.0500 -15.0500 -15.0247 -15.0247 -9.1978 -9.1978 -9.1921 -9.1921 1.5318 1.5318 1.5469 1.5469 2.0311 2.0311 2.0523 2.0523 2.3668 2.3668 2.3812 2.3812 7.7464 7.7464 7.7846 7.7846 9.3752 9.3752 9.4274 9.4274 11.3108 11.3108 k = 0.4483 0.4483-0.0000 ( 3596 PWs) bands (ev): -34.1551 -34.1551 -34.1536 -34.1536 -15.5103 -15.5103 -15.5015 -15.5015 -15.1760 -15.1760 -15.1376 -15.1376 -15.0525 -15.0525 -15.0223 -15.0223 -9.1995 -9.1995 -9.1913 -9.1913 1.5325 1.5325 1.5534 1.5534 2.0276 2.0276 2.0576 2.0576 2.3650 2.3650 2.3859 2.3859 7.7341 7.7341 7.7875 7.7875 9.3769 9.3769 9.4520 9.4520 11.2781 11.2781 k = 0.4397 0.4397-0.0000 ( 3605 PWs) bands (ev): -34.1555 -34.1555 -34.1534 -34.1534 -15.5107 -15.5107 -15.5004 -15.5004 -15.1785 -15.1785 -15.1339 -15.1339 -15.0550 -15.0550 -15.0199 -15.0199 -9.2014 -9.2014 -9.1903 -9.1903 1.5336 1.5336 1.5611 1.5611 2.0238 2.0238 2.0639 2.0639 2.3626 2.3626 2.3914 2.3914 7.7208 7.7208 7.7909 7.7909 9.3784 9.3784 9.4803 9.4803 11.2402 11.2402 k = 0.4310 0.4310-0.0000 ( 3611 PWs) bands (ev): -34.1560 -34.1560 -34.1532 -34.1532 -15.5111 -15.5111 -15.4992 -15.4992 -15.1808 -15.1808 -15.1302 -15.1302 -15.0575 -15.0575 -15.0176 -15.0176 -9.2037 -9.2037 -9.1893 -9.1893 1.5351 1.5351 1.5700 1.5700 2.0195 2.0195 2.0711 2.0711 2.3595 2.3595 2.3977 2.3977 7.7068 7.7068 7.7948 7.7948 9.3794 9.3794 9.5119 9.5119 11.1973 11.1973 k = 0.4224 0.4224-0.0000 ( 3617 PWs) bands (ev): -34.1565 -34.1565 -34.1530 -34.1530 -15.5114 -15.5114 -15.4980 -15.4980 -15.1828 -15.1828 -15.1266 -15.1266 -15.0599 -15.0599 -15.0153 -15.0153 -9.2063 -9.2063 -9.1881 -9.1881 1.5371 1.5371 1.5800 1.5800 2.0150 2.0150 2.0793 2.0793 2.3555 2.3555 2.4048 2.4048 7.6928 7.6928 7.7992 7.7992 9.3798 9.3798 9.5462 9.5462 11.1498 11.1498 k = 0.4138 0.4138-0.0000 ( 3623 PWs) bands (ev): -34.1571 -34.1571 -34.1528 -34.1528 -15.5117 -15.5117 -15.4966 -15.4966 -15.1847 -15.1847 -15.1229 -15.1229 -15.0622 -15.0622 -15.0130 -15.0130 -9.2092 -9.2092 -9.1869 -9.1869 1.5397 1.5397 1.5911 1.5911 2.0104 2.0104 2.0884 2.0884 2.3507 2.3507 2.4127 2.4127 7.6790 7.6790 7.8041 7.8041 9.3795 9.3795 9.5828 9.5828 11.0980 11.0980 k = 0.4052 0.4052-0.0000 ( 3623 PWs) bands (ev): -34.1577 -34.1577 -34.1526 -34.1526 -15.5119 -15.5119 -15.4952 -15.4952 -15.1864 -15.1864 -15.1193 -15.1193 -15.0645 -15.0645 -15.0108 -15.0108 -9.2124 -9.2124 -9.1857 -9.1857 1.5431 1.5431 1.6034 1.6034 2.0057 2.0057 2.0984 2.0984 2.3448 2.3448 2.4213 2.4213 7.6660 7.6660 7.8095 7.8095 9.3785 9.3785 9.6209 9.6209 11.0423 11.0423 k = 0.3966 0.3966-0.0000 ( 3623 PWs) bands (ev): -34.1584 -34.1584 -34.1523 -34.1523 -15.5121 -15.5121 -15.4937 -15.4937 -15.1879 -15.1879 -15.1157 -15.1157 -15.0667 -15.0667 -15.0086 -15.0086 -9.2160 -9.2160 -9.1845 -9.1845 1.5473 1.5473 1.6168 1.6168 2.0010 2.0010 2.1094 2.1094 2.3377 2.3377 2.4307 2.4307 7.6541 7.6541 7.8152 7.8152 9.3768 9.3768 9.6598 9.6598 10.9831 10.9831 k = 0.3879 0.3879-0.0000 ( 3615 PWs) bands (ev): -34.1591 -34.1591 -34.1520 -34.1520 -15.5122 -15.5122 -15.4921 -15.4921 -15.1891 -15.1891 -15.1121 -15.1121 -15.0686 -15.0686 -15.0065 -15.0065 -9.2200 -9.2200 -9.1833 -9.1833 1.5525 1.5525 1.6312 1.6312 1.9966 1.9966 2.1212 2.1212 2.3294 2.3294 2.4407 2.4407 7.6436 7.6436 7.8215 7.8215 9.3743 9.3743 9.6989 9.6989 10.9209 10.9209 k = 0.3793 0.3793-0.0000 ( 3623 PWs) bands (ev): -34.1599 -34.1599 -34.1517 -34.1517 -15.5124 -15.5124 -15.4904 -15.4904 -15.1902 -15.1902 -15.1088 -15.1088 -15.0705 -15.0705 -15.0045 -15.0045 -9.2243 -9.2243 -9.1821 -9.1821 1.5586 1.5586 1.6467 1.6467 1.9924 1.9924 2.1340 2.1340 2.3198 2.3198 2.4514 2.4514 7.6346 7.6346 7.8280 7.8280 9.3714 9.3714 9.7372 9.7372 10.8561 10.8561 k = 0.3707 0.3707-0.0000 ( 3627 PWs) bands (ev): -34.1607 -34.1607 -34.1513 -34.1513 -15.5126 -15.5126 -15.4886 -15.4886 -15.1911 -15.1911 -15.1056 -15.1056 -15.0722 -15.0722 -15.0025 -15.0025 -9.2290 -9.2290 -9.1811 -9.1811 1.5660 1.5660 1.6633 1.6633 1.9887 1.9887 2.1476 2.1476 2.3088 2.3088 2.4626 2.4626 7.6275 7.6275 7.8349 7.8349 9.3680 9.3680 9.7740 9.7740 10.7892 10.7892 k = 0.3621 0.3621-0.0000 ( 3627 PWs) bands (ev): -34.1615 -34.1615 -34.1510 -34.1510 -15.5128 -15.5128 -15.4867 -15.4867 -15.1917 -15.1917 -15.1027 -15.1027 -15.0735 -15.0735 -15.0005 -15.0005 -9.2341 -9.2341 -9.1801 -9.1801 1.5745 1.5745 1.6809 1.6809 1.9855 1.9855 2.1620 2.1620 2.2964 2.2964 2.4745 2.4745 7.6223 7.6223 7.8422 7.8422 9.3644 9.3644 9.8085 9.8085 10.7206 10.7206 k = 0.3534 0.3534-0.0000 ( 3627 PWs) bands (ev): -34.1624 -34.1624 -34.1506 -34.1506 -15.5129 -15.5129 -15.4847 -15.4847 -15.1921 -15.1921 -15.1002 -15.1002 -15.0744 -15.0744 -14.9987 -14.9987 -9.2395 -9.2395 -9.1792 -9.1792 1.5843 1.5843 1.6995 1.6995 1.9829 1.9829 2.1772 2.1772 2.2827 2.2827 2.4869 2.4869 7.6190 7.6190 7.8496 7.8496 9.3609 9.3609 9.8399 9.8399 10.6508 10.6508 k = 0.3448 0.3448-0.0000 ( 3627 PWs) bands (ev): -34.1634 -34.1634 -34.1503 -34.1503 -15.5131 -15.5131 -15.4825 -15.4825 -15.1922 -15.1922 -15.0983 -15.0983 -15.0746 -15.0746 -14.9969 -14.9969 -9.2453 -9.2453 -9.1785 -9.1785 1.5954 1.5954 1.7190 1.7190 1.9811 1.9811 2.1931 2.1931 2.2677 2.2677 2.4998 2.4998 7.6177 7.6177 7.8572 7.8572 9.3576 9.3576 9.8676 9.8676 10.5803 10.5803 k = 0.3362 0.3362-0.0000 ( 3623 PWs) bands (ev): -34.1643 -34.1643 -34.1499 -34.1499 -15.5132 -15.5132 -15.4802 -15.4802 -15.1922 -15.1922 -15.0971 -15.0971 -15.0741 -15.0741 -14.9952 -14.9952 -9.2515 -9.2515 -9.1779 -9.1779 1.6079 1.6079 1.7395 1.7395 1.9801 1.9801 2.2092 2.2092 2.2519 2.2519 2.5131 2.5131 7.6182 7.6182 7.8649 7.8649 9.3548 9.3548 9.8912 9.8912 10.5095 10.5095 k = 0.3276 0.3276-0.0000 ( 3619 PWs) bands (ev): -34.1653 -34.1653 -34.1495 -34.1495 -15.5134 -15.5134 -15.4778 -15.4778 -15.1919 -15.1919 -15.0967 -15.0967 -15.0727 -15.0727 -14.9936 -14.9936 -9.2581 -9.2581 -9.1776 -9.1776 1.6217 1.6217 1.7608 1.7608 1.9800 1.9800 2.2215 2.2215 2.2395 2.2395 2.5267 2.5267 7.6203 7.6203 7.8726 7.8726 9.3527 9.3527 9.9103 9.9103 10.4387 10.4387 k = 0.3190 0.3190-0.0000 ( 3615 PWs) bands (ev): -34.1664 -34.1664 -34.1490 -34.1490 -15.5136 -15.5136 -15.4752 -15.4752 -15.1914 -15.1914 -15.0970 -15.0970 -15.0706 -15.0706 -14.9920 -14.9920 -9.2650 -9.2650 -9.1774 -9.1774 1.6370 1.6370 1.7829 1.7829 1.9810 1.9810 2.2110 2.2110 2.2496 2.2496 2.5407 2.5407 7.6238 7.6238 7.8802 7.8802 9.3518 9.3518 9.9250 9.9250 10.3686 10.3686 k = 0.3103 0.3103-0.0000 ( 3627 PWs) bands (ev): -34.1674 -34.1674 -34.1486 -34.1486 -15.5138 -15.5138 -15.4726 -15.4726 -15.1907 -15.1907 -15.0979 -15.0979 -15.0681 -15.0681 -14.9906 -14.9906 -9.2724 -9.2724 -9.1775 -9.1775 1.6535 1.6535 1.8057 1.8057 1.9830 1.9830 2.1922 2.1922 2.2677 2.2677 2.5550 2.5550 7.6282 7.6282 7.8876 7.8876 9.3524 9.3524 9.9352 9.9352 10.2993 10.2993 k = 0.3017 0.3017-0.0000 ( 3631 PWs) bands (ev): -34.1685 -34.1685 -34.1482 -34.1482 -15.5140 -15.5140 -15.4698 -15.4698 -15.1897 -15.1897 -15.0990 -15.0990 -15.0652 -15.0652 -14.9892 -14.9892 -9.2801 -9.2801 -9.1778 -9.1778 1.6713 1.6713 1.8291 1.8291 1.9863 1.9863 2.1720 2.1720 2.2872 2.2872 2.5695 2.5695 7.6333 7.6333 7.8946 7.8946 9.3547 9.3547 9.9412 9.9412 10.2315 10.2315 k = 0.2931 0.2931-0.0000 ( 3627 PWs) bands (ev): -34.1696 -34.1696 -34.1477 -34.1477 -15.5142 -15.5142 -15.4668 -15.4668 -15.1886 -15.1886 -15.1004 -15.1004 -15.0620 -15.0620 -14.9879 -14.9879 -9.2882 -9.2882 -9.1783 -9.1783 1.6902 1.6902 1.8530 1.8530 1.9908 1.9908 2.1513 2.1513 2.3076 2.3076 2.5841 2.5841 7.6385 7.6385 7.9010 7.9010 9.3591 9.3591 9.9435 9.9435 10.1654 10.1654 k = 0.2845 0.2845-0.0000 ( 3635 PWs) bands (ev): -34.1707 -34.1707 -34.1473 -34.1473 -15.5144 -15.5144 -15.4638 -15.4638 -15.1873 -15.1873 -15.1019 -15.1019 -15.0586 -15.0586 -14.9867 -14.9867 -9.2966 -9.2966 -9.1792 -9.1792 1.7099 1.7099 1.8772 1.8772 1.9968 1.9968 2.1307 2.1307 2.3287 2.3287 2.5988 2.5988 7.6433 7.6433 7.9068 7.9068 9.3661 9.3661 9.9422 9.9422 10.1017 10.1017 k = 0.2759 0.2759-0.0000 ( 3637 PWs) bands (ev): -34.1719 -34.1719 -34.1469 -34.1469 -15.5147 -15.5147 -15.4606 -15.4606 -15.1859 -15.1859 -15.1034 -15.1034 -15.0552 -15.0552 -14.9856 -14.9856 -9.3053 -9.3053 -9.1802 -9.1802 1.7298 1.7298 1.9013 1.9013 2.0045 2.0045 2.1110 2.1110 2.3503 2.3503 2.6134 2.6134 7.6472 7.6472 7.9117 7.9117 9.3759 9.3759 9.9372 9.9372 10.0413 10.0413 k = 0.2672 0.2672-0.0000 ( 3629 PWs) bands (ev): -34.1730 -34.1730 -34.1464 -34.1464 -15.5149 -15.5149 -15.4573 -15.4573 -15.1842 -15.1842 -15.1050 -15.1050 -15.0517 -15.0517 -14.9845 -14.9845 -9.3144 -9.3144 -9.1816 -9.1816 1.7493 1.7493 1.9249 1.9249 2.0140 2.0140 2.0931 2.0931 2.3726 2.3726 2.6280 2.6280 7.6495 7.6495 7.9155 7.9155 9.3890 9.3890 9.9264 9.9264 9.9871 9.9871 k = 0.2586 0.2586-0.0000 ( 3625 PWs) bands (ev): -34.1742 -34.1742 -34.1459 -34.1459 -15.5151 -15.5151 -15.4539 -15.4539 -15.1824 -15.1824 -15.1066 -15.1066 -15.0482 -15.0482 -14.9836 -14.9836 -9.3238 -9.3238 -9.1832 -9.1832 1.7673 1.7673 1.9473 1.9473 2.0259 2.0259 2.0787 2.0787 2.3953 2.3953 2.6424 2.6424 7.6498 7.6498 7.9181 7.9181 9.4057 9.4057 9.8997 9.8997 9.9501 9.9501 k = 0.2500 0.2500-0.0000 ( 3627 PWs) bands (ev): -34.1753 -34.1753 -34.1455 -34.1455 -15.5153 -15.5153 -15.4504 -15.4504 -15.1804 -15.1804 -15.1082 -15.1082 -15.0447 -15.0447 -14.9827 -14.9827 -9.3334 -9.3334 -9.1851 -9.1851 1.7820 1.7820 1.9677 1.9677 2.0404 2.0404 2.0697 2.0697 2.4184 2.4184 2.6566 2.6566 7.6473 7.6473 7.9191 7.9191 9.4263 9.4263 9.8550 9.8550 9.9330 9.9330 k = 0.2414 0.2414-0.0000 ( 3617 PWs) bands (ev): -34.1765 -34.1765 -34.1450 -34.1450 -15.5154 -15.5154 -15.4468 -15.4468 -15.1784 -15.1784 -15.1097 -15.1097 -15.0412 -15.0412 -14.9819 -14.9819 -9.3433 -9.3433 -9.1872 -9.1872 1.7914 1.7914 1.9862 1.9862 2.0561 2.0561 2.0699 2.0699 2.4419 2.4419 2.6704 2.6704 7.6417 7.6417 7.9184 7.9184 9.4512 9.4512 9.8069 9.8069 9.9219 9.9219 k = 0.2328 0.2328-0.0000 ( 3613 PWs) bands (ev): -34.1776 -34.1776 -34.1446 -34.1446 -15.5156 -15.5156 -15.4431 -15.4431 -15.1762 -15.1762 -15.1112 -15.1112 -15.0378 -15.0378 -14.9812 -14.9812 -9.3534 -9.3534 -9.1896 -9.1896 1.7936 1.7936 2.0043 2.0043 2.0668 2.0668 2.0859 2.0859 2.4657 2.4657 2.6838 2.6838 7.6324 7.6324 7.9157 7.9157 9.4804 9.4804 9.7605 9.7605 9.9123 9.9123 k = 0.2241 0.2241-0.0000 ( 3617 PWs) bands (ev): -34.1788 -34.1788 -34.1441 -34.1441 -15.5157 -15.5157 -15.4394 -15.4394 -15.1740 -15.1740 -15.1127 -15.1127 -15.0344 -15.0344 -14.9805 -14.9805 -9.3637 -9.3637 -9.1922 -9.1922 1.7881 1.7881 2.0239 2.0239 2.0787 2.0787 2.1098 2.1098 2.4898 2.4898 2.6968 2.6968 7.6192 7.6192 7.9109 7.9109 9.5141 9.5141 9.7172 9.7172 9.9033 9.9033 k = 0.2155 0.2155-0.0000 ( 3621 PWs) bands (ev): -34.1799 -34.1799 -34.1437 -34.1437 -15.5158 -15.5158 -15.4356 -15.4356 -15.1718 -15.1718 -15.1141 -15.1141 -15.0310 -15.0310 -14.9799 -14.9799 -9.3742 -9.3742 -9.1951 -9.1951 1.7758 1.7758 2.0457 2.0457 2.0955 2.0955 2.1363 2.1363 2.5140 2.5140 2.7091 2.7091 7.6016 7.6016 7.9036 7.9036 9.5524 9.5524 9.6775 9.6775 9.8950 9.8950 k = 0.2069 0.2069-0.0000 ( 3609 PWs) bands (ev): -34.1810 -34.1810 -34.1432 -34.1432 -15.5159 -15.5159 -15.4318 -15.4318 -15.1696 -15.1696 -15.1154 -15.1154 -15.0277 -15.0277 -14.9793 -14.9793 -9.3847 -9.3847 -9.1981 -9.1981 1.7585 1.7585 2.0684 2.0684 2.1179 2.1179 2.1644 2.1644 2.5383 2.5383 2.7209 2.7209 7.5797 7.5797 7.8939 7.8939 9.5950 9.5950 9.6419 9.6419 9.8873 9.8873 k = 0.1983 0.1983-0.0000 ( 3601 PWs) bands (ev): -34.1821 -34.1821 -34.1428 -34.1428 -15.5160 -15.5160 -15.4279 -15.4279 -15.1674 -15.1674 -15.1165 -15.1165 -15.0245 -15.0245 -14.9787 -14.9787 -9.3954 -9.3954 -9.2013 -9.2013 1.7378 1.7378 2.0905 2.0905 2.1461 2.1461 2.1934 2.1934 2.5626 2.5626 2.7319 2.7319 7.5534 7.5534 7.8816 7.8816 9.6095 9.6095 9.6427 9.6427 9.8804 9.8804 k = 0.1897 0.1897-0.0000 ( 3595 PWs) bands (ev): -34.1832 -34.1832 -34.1423 -34.1423 -15.5160 -15.5160 -15.4239 -15.4239 -15.1652 -15.1652 -15.1176 -15.1176 -15.0215 -15.0215 -14.9780 -14.9780 -9.4061 -9.4061 -9.2047 -9.2047 1.7151 1.7151 2.1116 2.1116 2.1794 2.1794 2.2229 2.2229 2.5868 2.5868 2.7421 2.7421 7.5228 7.5228 7.8665 7.8665 9.5824 9.5824 9.6933 9.6933 9.8743 9.8743 k = 0.1810 0.1810-0.0000 ( 3605 PWs) bands (ev): -34.1842 -34.1842 -34.1419 -34.1419 -15.5160 -15.5160 -15.4201 -15.4201 -15.1633 -15.1633 -15.1186 -15.1186 -15.0187 -15.0187 -14.9774 -14.9774 -9.4167 -9.4167 -9.2082 -9.2082 1.6912 1.6912 2.1322 2.1322 2.2166 2.2166 2.2527 2.2527 2.6108 2.6108 2.7514 2.7514 7.4880 7.4880 7.8487 7.8487 9.5594 9.5594 9.7476 9.7476 9.8692 9.8692 k = 0.1724 0.1724-0.0000 ( 3601 PWs) bands (ev): -34.1853 -34.1853 -34.1415 -34.1415 -15.5160 -15.5160 -15.4162 -15.4162 -15.1614 -15.1614 -15.1194 -15.1194 -15.0160 -15.0160 -14.9766 -14.9766 -9.4274 -9.4274 -9.2118 -9.2118 1.6666 1.6666 2.1529 2.1529 2.2564 2.2564 2.2829 2.2829 2.6344 2.6344 2.7599 2.7599 7.4493 7.4493 7.8284 7.8284 9.5410 9.5410 9.8050 9.8050 9.8651 9.8651 k = 0.1638 0.1638-0.0000 ( 3601 PWs) bands (ev): -34.1863 -34.1863 -34.1411 -34.1411 -15.5160 -15.5160 -15.4123 -15.4123 -15.1597 -15.1597 -15.1199 -15.1199 -15.0136 -15.0136 -14.9758 -14.9758 -9.4379 -9.4379 -9.2155 -9.2155 1.6420 1.6420 2.1738 2.1738 2.2974 2.2974 2.3136 2.3136 2.6576 2.6576 2.7676 2.7676 7.4072 7.4072 7.8056 7.8056 9.5272 9.5272 9.8612 9.8612 9.8655 9.8655 k = 0.1552 0.1552-0.0000 ( 3601 PWs) bands (ev): -34.1873 -34.1873 -34.1407 -34.1407 -15.5159 -15.5159 -15.4084 -15.4084 -15.1583 -15.1583 -15.1203 -15.1203 -15.0115 -15.0115 -14.9749 -14.9749 -9.4483 -9.4483 -9.2192 -9.2192 1.6175 1.6175 2.1951 2.1951 2.3360 2.3360 2.3478 2.3478 2.6801 2.6801 2.7745 2.7745 7.3620 7.3620 7.7806 7.7806 9.5181 9.5181 9.8597 9.8597 9.9252 9.9252 k = 0.1466 0.1466-0.0000 ( 3595 PWs) bands (ev): -34.1882 -34.1882 -34.1404 -34.1404 -15.5158 -15.5158 -15.4046 -15.4046 -15.1571 -15.1571 -15.1203 -15.1203 -15.0096 -15.0096 -14.9737 -14.9737 -9.4584 -9.4584 -9.2229 -9.2229 1.5935 1.5935 2.2169 2.2169 2.3678 2.3678 2.3893 2.3893 2.7015 2.7015 2.7809 2.7809 7.3143 7.3143 7.7537 7.7537 9.5137 9.5137 9.8585 9.8585 9.9194 9.9194 k = 0.1379 0.1379-0.0000 ( 3587 PWs) bands (ev): -34.1891 -34.1891 -34.1400 -34.1400 -15.5157 -15.5157 -15.4009 -15.4009 -15.1562 -15.1562 -15.1201 -15.1201 -15.0081 -15.0081 -14.9724 -14.9724 -9.4683 -9.4683 -9.2267 -9.2267 1.5702 1.5702 2.2390 2.2390 2.3969 2.3969 2.4334 2.4334 2.7213 2.7213 2.7871 2.7871 7.2645 7.2645 7.7252 7.7252 9.5141 9.5141 9.8583 9.8583 9.8925 9.8925 k = 0.1293 0.1293-0.0000 ( 3591 PWs) bands (ev): -34.1899 -34.1899 -34.1397 -34.1397 -15.5156 -15.5156 -15.3972 -15.3972 -15.1556 -15.1556 -15.1196 -15.1196 -15.0069 -15.0069 -14.9710 -14.9710 -9.4780 -9.4780 -9.2304 -9.2304 1.5476 1.5476 2.2615 2.2615 2.4247 2.4247 2.4779 2.4779 2.7385 2.7385 2.7941 2.7941 7.2132 7.2132 7.6956 7.6956 9.5190 9.5190 9.8378 9.8378 9.8591 9.8591 k = 0.1207 0.1207-0.0000 ( 3595 PWs) bands (ev): -34.1908 -34.1908 -34.1393 -34.1393 -15.5154 -15.5154 -15.3937 -15.3937 -15.1554 -15.1554 -15.1190 -15.1190 -15.0060 -15.0060 -14.9694 -14.9694 -9.4872 -9.4872 -9.2340 -9.2340 1.5261 1.5261 2.2842 2.2842 2.4516 2.4516 2.5222 2.5222 2.7518 2.7518 2.8032 2.8032 7.1610 7.1610 7.6651 7.6651 9.5286 9.5286 9.7855 9.7855 9.8605 9.8605 k = 0.1121 0.1121-0.0000 ( 3589 PWs) bands (ev): -34.1915 -34.1915 -34.1390 -34.1390 -15.5153 -15.5153 -15.3902 -15.3902 -15.1554 -15.1554 -15.1180 -15.1180 -15.0053 -15.0053 -14.9677 -14.9677 -9.4961 -9.4961 -9.2375 -9.2375 1.5056 1.5056 2.3072 2.3072 2.4773 2.4773 2.5656 2.5656 2.7603 2.7603 2.8154 2.8154 7.1085 7.1085 7.6344 7.6344 9.5425 9.5425 9.7358 9.7358 9.8627 9.8627 k = 0.1034 0.1034-0.0000 ( 3593 PWs) bands (ev): -34.1923 -34.1923 -34.1388 -34.1388 -15.5152 -15.5152 -15.3869 -15.3869 -15.1556 -15.1556 -15.1170 -15.1170 -15.0049 -15.0049 -14.9659 -14.9659 -9.5046 -9.5046 -9.2409 -9.2409 1.4863 1.4863 2.3303 2.3303 2.5018 2.5018 2.6074 2.6074 2.7646 2.7646 2.8301 2.8301 7.0563 7.0563 7.6038 7.6038 9.5606 9.5606 9.6888 9.6888 9.8657 9.8657 k = 0.0948 0.0948-0.0000 ( 3593 PWs) bands (ev): -34.1929 -34.1929 -34.1385 -34.1385 -15.5150 -15.5150 -15.3838 -15.3838 -15.1559 -15.1559 -15.1158 -15.1158 -15.0047 -15.0047 -14.9641 -14.9641 -9.5125 -9.5125 -9.2442 -9.2442 1.4683 1.4683 2.3535 2.3535 2.5249 2.5249 2.6466 2.6466 2.7668 2.7668 2.8460 2.8460 7.0051 7.0051 7.5737 7.5737 9.5825 9.5825 9.6448 9.6448 9.8694 9.8694 k = 0.0862 0.0862-0.0000 ( 3593 PWs) bands (ev): -34.1936 -34.1936 -34.1383 -34.1383 -15.5148 -15.5148 -15.3808 -15.3808 -15.1564 -15.1564 -15.1146 -15.1146 -15.0047 -15.0047 -14.9623 -14.9623 -9.5200 -9.5200 -9.2472 -9.2472 1.4516 1.4516 2.3766 2.3766 2.5463 2.5463 2.6813 2.6813 2.7690 2.7690 2.8622 2.8622 6.9555 6.9555 7.5447 7.5447 9.6028 9.6028 9.6089 9.6089 9.8737 9.8737 k = 0.0776 0.0776-0.0000 ( 3593 PWs) bands (ev): -34.1941 -34.1941 -34.1380 -34.1380 -15.5147 -15.5147 -15.3780 -15.3780 -15.1570 -15.1570 -15.1134 -15.1134 -15.0047 -15.0047 -14.9606 -14.9606 -9.5268 -9.5268 -9.2501 -9.2501 1.4363 1.4363 2.3996 2.3996 2.5659 2.5659 2.7076 2.7076 2.7755 2.7755 2.8782 2.8782 6.9081 6.9081 7.5171 7.5171 9.5662 9.5662 9.6360 9.6360 9.8786 9.8787 k = 0.0690 0.0690-0.0000 ( 3597 PWs) bands (ev): -34.1946 -34.1946 -34.1378 -34.1378 -15.5146 -15.5146 -15.3755 -15.3755 -15.1577 -15.1577 -15.1122 -15.1122 -15.0049 -15.0049 -14.9589 -14.9589 -9.5330 -9.5330 -9.2527 -9.2527 1.4225 1.4225 2.4222 2.4222 2.5835 2.5835 2.7204 2.7204 2.7909 2.7909 2.8936 2.8936 6.8636 6.8636 7.4913 7.4913 9.5322 9.5322 9.6660 9.6660 9.8844 9.8844 k = 0.0603 0.0603-0.0000 ( 3589 PWs) bands (ev): -34.1951 -34.1951 -34.1377 -34.1377 -15.5144 -15.5144 -15.3732 -15.3732 -15.1583 -15.1583 -15.1110 -15.1110 -15.0051 -15.0051 -14.9574 -14.9574 -9.5386 -9.5386 -9.2550 -9.2550 1.4102 1.4102 2.4444 2.4444 2.5987 2.5987 2.7222 2.7222 2.8129 2.8129 2.9085 2.9085 6.8226 6.8226 7.4677 7.4677 9.5019 9.5019 9.6969 9.6969 9.8912 9.8912 k = 0.0517 0.0517-0.0000 ( 3587 PWs) bands (ev): -34.1955 -34.1955 -34.1375 -34.1375 -15.5143 -15.5143 -15.3711 -15.3711 -15.1589 -15.1589 -15.1100 -15.1100 -15.0053 -15.0053 -14.9560 -14.9560 -9.5436 -9.5436 -9.2571 -9.2571 1.3994 1.3994 2.4660 2.4660 2.6112 2.6112 2.7189 2.7189 2.8355 2.8355 2.9227 2.9227 6.7857 6.7857 7.4466 7.4466 9.4753 9.4753 9.7273 9.7273 9.8992 9.8992 k = 0.0431 0.0431-0.0000 ( 3595 PWs) bands (ev): -34.1958 -34.1958 -34.1374 -34.1374 -15.5142 -15.5142 -15.3694 -15.3694 -15.1595 -15.1595 -15.1091 -15.1091 -15.0056 -15.0056 -14.9548 -14.9548 -9.5478 -9.5478 -9.2589 -9.2589 1.3903 1.3903 2.4867 2.4867 2.6205 2.6205 2.7138 2.7138 2.8554 2.8554 2.9361 2.9361 6.7535 6.7535 7.4282 7.4282 9.4525 9.4525 9.7553 9.7553 9.9088 9.9089 k = 0.0345 0.0345-0.0000 ( 3599 PWs) bands (ev): -34.1961 -34.1961 -34.1373 -34.1373 -15.5141 -15.5141 -15.3679 -15.3679 -15.1600 -15.1600 -15.1083 -15.1083 -15.0058 -15.0058 -14.9538 -14.9538 -9.5512 -9.5512 -9.2604 -9.2604 1.3828 1.3828 2.5063 2.5063 2.6261 2.6261 2.7087 2.7087 2.8717 2.8717 2.9484 2.9484 6.7263 6.7263 7.4128 7.4128 9.4338 9.4338 9.7792 9.7792 9.9202 9.9202 k = 0.0259 0.0259-0.0000 ( 3609 PWs) bands (ev): -34.1963 -34.1963 -34.1372 -34.1372 -15.5141 -15.5141 -15.3668 -15.3668 -15.1605 -15.1605 -15.1077 -15.1077 -15.0060 -15.0060 -14.9530 -14.9530 -9.5540 -9.5540 -9.2616 -9.2616 1.3769 1.3769 2.5243 2.5243 2.6276 2.6276 2.7048 2.7048 2.8840 2.8840 2.9590 2.9590 6.7047 6.7047 7.4006 7.4006 9.4191 9.4191 9.7976 9.7976 9.9323 9.9326 k = 0.0172 0.0172-0.0000 ( 3615 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5141 -15.5141 -15.3659 -15.3659 -15.1608 -15.1608 -15.1073 -15.1073 -15.0062 -15.0062 -14.9524 -14.9524 -9.5559 -9.5559 -9.2624 -9.2624 1.3727 1.3727 2.5397 2.5397 2.6256 2.6256 2.7024 2.7024 2.8925 2.8925 2.9671 2.9671 6.6890 6.6890 7.3918 7.3918 9.4086 9.4086 9.8102 9.8102 9.9431 9.9432 k = 0.0086 0.0086-0.0000 ( 3619 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5141 -15.5141 -15.3654 -15.3654 -15.1610 -15.1610 -15.1070 -15.1070 -15.0063 -15.0063 -14.9521 -14.9521 -9.5571 -9.5571 -9.2630 -9.2630 1.3702 1.3702 2.5508 2.5508 2.6222 2.6222 2.7014 2.7014 2.8974 2.8974 2.9723 2.9723 6.6795 6.6795 7.3864 7.3864 9.4022 9.4022 9.8174 9.8174 9.9498 9.9498 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5140 -15.5140 -15.3653 -15.3653 -15.1610 -15.1610 -15.1069 -15.1069 -15.0063 -15.0063 -14.9520 -14.9520 -9.5575 -9.5575 -9.2631 -9.2631 1.3693 1.3693 2.5550 2.5550 2.6204 2.6204 2.7011 2.7011 2.8990 2.8990 2.9740 2.9740 6.6763 6.6763 7.3846 7.3846 9.4001 9.4001 9.8197 9.8197 9.9518 9.9520 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5140 -15.5140 -15.3653 -15.3653 -15.1610 -15.1610 -15.1069 -15.1069 -15.0063 -15.0063 -14.9520 -14.9520 -9.5575 -9.5575 -9.2631 -9.2631 1.3693 1.3693 2.5550 2.5550 2.6204 2.6204 2.7011 2.7011 2.8990 2.8990 2.9740 2.9740 6.6763 6.6763 7.3846 7.3846 9.4001 9.4001 9.8197 9.8197 9.9518 9.9520 k = 0.0000 0.0000 0.0122 ( 3620 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5140 -15.5140 -15.3653 -15.3653 -15.1610 -15.1610 -15.1069 -15.1069 -15.0064 -15.0064 -14.9520 -14.9520 -9.5572 -9.5572 -9.2634 -9.2634 1.3699 1.3699 2.5527 2.5527 2.6202 2.6202 2.7008 2.7008 2.8992 2.8992 2.9743 2.9743 6.6801 6.6801 7.3849 7.3849 9.3992 9.3992 9.8221 9.8221 9.9521 9.9521 k = 0.0000 0.0000 0.0244 ( 3616 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5140 -15.5140 -15.3653 -15.3653 -15.1610 -15.1610 -15.1069 -15.1069 -15.0064 -15.0064 -14.9520 -14.9520 -9.5564 -9.5564 -9.2641 -9.2641 1.3717 1.3717 2.5459 2.5459 2.6197 2.6197 2.7000 2.7000 2.8997 2.8997 2.9751 2.9751 6.6916 6.6916 7.3858 7.3858 9.3966 9.3966 9.8295 9.8295 9.9529 9.9529 k = 0.0000 0.0000 0.0366 ( 3608 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5139 -15.5139 -15.3654 -15.3654 -15.1609 -15.1609 -15.1069 -15.1069 -15.0065 -15.0065 -14.9520 -14.9520 -9.5550 -9.5550 -9.2652 -9.2652 1.3748 1.3748 2.5348 2.5348 2.6187 2.6187 2.6988 2.6988 2.9005 2.9005 2.9764 2.9764 6.7104 6.7104 7.3873 7.3873 9.3922 9.3922 9.8416 9.8416 9.9541 9.9546 k = 0.0000 0.0000 0.0488 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5139 -15.5139 -15.3655 -15.3655 -15.1609 -15.1609 -15.1069 -15.1069 -15.0066 -15.0066 -14.9520 -14.9520 -9.5531 -9.5531 -9.2669 -9.2669 1.3790 1.3790 2.5195 2.5195 2.6173 2.6173 2.6970 2.6970 2.9016 2.9016 2.9781 2.9781 6.7365 6.7365 7.3893 7.3893 9.3861 9.3861 9.8582 9.8583 9.9558 9.9559 k = 0.0000 0.0000 0.0610 ( 3600 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5138 -15.5138 -15.3655 -15.3655 -15.1607 -15.1607 -15.1068 -15.1068 -15.0067 -15.0067 -14.9519 -14.9519 -9.5506 -9.5506 -9.2690 -9.2690 1.3844 1.3844 2.5003 2.5003 2.6154 2.6154 2.6949 2.6949 2.9031 2.9031 2.9803 2.9803 6.7693 6.7693 7.3918 7.3918 9.3786 9.3786 9.8792 9.8792 9.9580 9.9580 k = 0.0000 0.0000 0.0732 ( 3604 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5138 -15.5138 -15.3657 -15.3657 -15.1607 -15.1607 -15.1068 -15.1068 -15.0069 -15.0069 -14.9519 -14.9519 -9.5476 -9.5476 -9.2715 -9.2715 1.3911 1.3911 2.4776 2.4776 2.6132 2.6132 2.6924 2.6924 2.9049 2.9049 2.9828 2.9828 6.8084 6.8084 7.3948 7.3948 9.3697 9.3697 9.9038 9.9038 9.9606 9.9606 k = 0.0000 0.0000 0.0854 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5137 -15.5137 -15.3659 -15.3659 -15.1606 -15.1606 -15.1068 -15.1068 -15.0072 -15.0072 -14.9520 -14.9520 -9.5442 -9.5442 -9.2744 -9.2744 1.3990 1.3990 2.4517 2.4517 2.6106 2.6106 2.6896 2.6896 2.9070 2.9070 2.9857 2.9857 6.8533 6.8533 7.3983 7.3983 9.3595 9.3595 9.9314 9.9314 9.9634 9.9635 k = 0.0000 0.0000 0.0976 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5136 -15.5136 -15.3660 -15.3660 -15.1605 -15.1605 -15.1068 -15.1068 -15.0074 -15.0074 -14.9520 -14.9520 -9.5403 -9.5403 -9.2777 -9.2777 1.4081 1.4081 2.4230 2.4230 2.6078 2.6078 2.6866 2.6866 2.9093 2.9093 2.9887 2.9887 6.9033 6.9033 7.4021 7.4021 9.3483 9.3483 9.9605 9.9606 9.9667 9.9668 k = 0.0000 0.0000 0.1098 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5135 -15.5135 -15.3662 -15.3662 -15.1603 -15.1603 -15.1067 -15.1067 -15.0076 -15.0076 -14.9520 -14.9520 -9.5361 -9.5361 -9.2814 -9.2814 1.4185 1.4185 2.3919 2.3919 2.6048 2.6048 2.6834 2.6834 2.9118 2.9118 2.9919 2.9919 6.9577 6.9577 7.4062 7.4062 9.3364 9.3364 9.9700 9.9701 9.9818 9.9821 k = 0.0000 0.0000 0.1220 ( 3624 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5134 -15.5134 -15.3664 -15.3664 -15.1602 -15.1602 -15.1068 -15.1068 -15.0079 -15.0079 -14.9520 -14.9520 -9.5314 -9.5314 -9.2854 -9.2854 1.4300 1.4300 2.3589 2.3589 2.6017 2.6017 2.6801 2.6801 2.9144 2.9144 2.9952 2.9952 7.0157 7.0157 7.4106 7.4106 9.3239 9.3239 9.9737 9.9737 9.9854 9.9854 k = 0.0000 0.0000 0.1342 ( 3632 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5134 -15.5134 -15.3666 -15.3666 -15.1601 -15.1601 -15.1067 -15.1067 -15.0082 -15.0082 -14.9520 -14.9520 -9.5265 -9.5265 -9.2897 -9.2897 1.4427 1.4427 2.3244 2.3244 2.5985 2.5985 2.6768 2.6768 2.9172 2.9172 2.9985 2.9985 7.0767 7.0767 7.4151 7.4151 9.3110 9.3110 9.9774 9.9774 9.9891 9.9892 k = 0.0000 0.0000 0.1464 ( 3624 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5133 -15.5133 -15.3667 -15.3667 -15.1600 -15.1600 -15.1067 -15.1067 -15.0084 -15.0084 -14.9520 -14.9520 -9.5214 -9.5214 -9.2942 -9.2942 1.4564 1.4564 2.2889 2.2889 2.5954 2.5954 2.6736 2.6736 2.9199 2.9199 3.0018 3.0018 7.1396 7.1396 7.4197 7.4197 9.2981 9.2981 9.9813 9.9813 9.9929 9.9932 k = 0.0000 0.0000 0.1586 ( 3616 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5131 -15.5131 -15.3669 -15.3669 -15.1598 -15.1598 -15.1067 -15.1067 -15.0086 -15.0086 -14.9520 -14.9520 -9.5160 -9.5160 -9.2989 -9.2989 1.4712 1.4712 2.2528 2.2528 2.5923 2.5923 2.6704 2.6704 2.9226 2.9226 3.0050 3.0050 7.2035 7.2035 7.4243 7.4243 9.2853 9.2853 9.9848 9.9854 9.9886 9.9896 k = 0.0000 0.0000 0.1708 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5130 -15.5130 -15.3671 -15.3671 -15.1596 -15.1596 -15.1066 -15.1066 -15.0089 -15.0089 -14.9520 -14.9520 -9.5106 -9.5106 -9.3037 -9.3037 1.4869 1.4869 2.2168 2.2168 2.5894 2.5894 2.6674 2.6674 2.9253 2.9253 3.0080 3.0080 7.2674 7.2674 7.4289 7.4289 9.2729 9.2729 9.9455 9.9455 9.9888 9.9893 k = 0.0000 0.0000 0.1830 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5129 -15.5129 -15.3673 -15.3673 -15.1595 -15.1595 -15.1066 -15.1066 -15.0091 -15.0091 -14.9520 -14.9520 -9.5052 -9.5052 -9.3085 -9.3085 1.5032 1.5032 2.1812 2.1812 2.5867 2.5867 2.6646 2.6646 2.9277 2.9277 3.0109 3.0109 7.3302 7.3302 7.4333 7.4333 9.2611 9.2611 9.8956 9.8956 9.9923 9.9924 k = 0.0000 0.0000 0.1952 ( 3612 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5128 -15.5128 -15.3674 -15.3674 -15.1594 -15.1594 -15.1066 -15.1066 -15.0093 -15.0093 -14.9521 -14.9521 -9.4999 -9.4999 -9.3132 -9.3132 1.5200 1.5200 2.1467 2.1467 2.5842 2.5842 2.6620 2.6620 2.9300 2.9300 3.0135 3.0135 7.3906 7.3906 7.4373 7.4373 9.2501 9.2501 9.8435 9.8435 9.9956 9.9962 k = 0.0000 0.0000 0.2074 ( 3616 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5127 -15.5127 -15.3676 -15.3676 -15.1593 -15.1593 -15.1066 -15.1066 -15.0096 -15.0096 -14.9521 -14.9521 -9.4949 -9.4949 -9.3177 -9.3177 1.5369 1.5369 2.1139 2.1139 2.5819 2.5819 2.6597 2.6597 2.9321 2.9321 3.0158 3.0158 7.4411 7.4411 7.4473 7.4473 9.2401 9.2401 9.7924 9.7924 9.9986 9.9989 k = 0.0000 0.0000 0.2196 ( 3608 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5126 -15.5126 -15.3677 -15.3677 -15.1591 -15.1591 -15.1065 -15.1065 -15.0097 -15.0097 -14.9521 -14.9521 -9.4902 -9.4902 -9.3220 -9.3220 1.5534 1.5534 2.0835 2.0835 2.5800 2.5800 2.6577 2.6577 2.9339 2.9339 3.0178 3.0178 7.4444 7.4444 7.4990 7.4990 9.2313 9.2313 9.7449 9.7449 10.0013 10.0017 k = 0.0000 0.0000 0.2318 ( 3608 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5125 -15.5125 -15.3678 -15.3678 -15.1590 -15.1590 -15.1065 -15.1065 -15.0099 -15.0099 -14.9521 -14.9521 -9.4861 -9.4861 -9.3257 -9.3257 1.5689 1.5689 2.0564 2.0564 2.5783 2.5783 2.6560 2.6560 2.9354 2.9354 3.0195 3.0195 7.4473 7.4473 7.5440 7.5440 9.2238 9.2238 9.7028 9.7028 10.0036 10.0036 k = 0.0000 0.0000 0.2440 ( 3584 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5124 -15.5124 -15.3678 -15.3678 -15.1589 -15.1589 -15.1065 -15.1065 -15.0099 -15.0099 -14.9520 -14.9520 -9.4827 -9.4827 -9.3289 -9.3289 1.5826 1.5826 2.0335 2.0335 2.5771 2.5771 2.6547 2.6547 2.9366 2.9366 3.0209 3.0209 7.4495 7.4495 7.5811 7.5811 9.2180 9.2180 9.6680 9.6680 10.0054 10.0056 k = 0.0000 0.0000 0.2562 ( 3592 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5124 -15.5124 -15.3679 -15.3679 -15.1589 -15.1589 -15.1065 -15.1065 -15.0100 -15.0100 -14.9520 -14.9520 -9.4801 -9.4801 -9.3312 -9.3312 1.5934 1.5934 2.0160 2.0160 2.5761 2.5761 2.6537 2.6537 2.9375 2.9375 3.0218 3.0218 7.4512 7.4512 7.6087 7.6087 9.2137 9.2137 9.6419 9.6419 10.0067 10.0069 k = 0.0000 0.0000 0.2684 ( 3596 PWs) bands (ev): -34.1966 -34.1966 -34.1371 -34.1371 -15.5124 -15.5124 -15.3679 -15.3679 -15.1589 -15.1589 -15.1065 -15.1065 -15.0101 -15.0101 -14.9520 -14.9520 -9.4785 -9.4785 -9.3327 -9.3327 1.6004 1.6004 2.0050 2.0050 2.5755 2.5755 2.6531 2.6531 2.9380 2.9380 3.0224 3.0224 7.4522 7.4522 7.6257 7.6257 9.2111 9.2111 9.6257 9.6257 10.0075 10.0075 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5124 -15.5124 -15.3679 -15.3679 -15.1589 -15.1589 -15.1066 -15.1066 -15.0101 -15.0101 -14.9520 -14.9520 -9.4779 -9.4779 -9.3332 -9.3332 1.6029 1.6029 2.0012 2.0012 2.5753 2.5753 2.6529 2.6529 2.9382 2.9382 3.0226 3.0226 7.4525 7.4525 7.6315 7.6315 9.2102 9.2102 9.6202 9.6202 10.0078 10.0078 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5124 -15.5124 -15.3679 -15.3679 -15.1589 -15.1589 -15.1066 -15.1066 -15.0101 -15.0101 -14.9520 -14.9520 -9.4779 -9.4779 -9.3332 -9.3332 1.6029 1.6029 2.0012 2.0012 2.5753 2.5753 2.6529 2.6529 2.9382 2.9382 3.0226 3.0226 7.4525 7.4525 7.6315 7.6315 9.2102 9.2102 9.6202 9.6202 10.0078 10.0078 k = 0.0000 0.0122 0.2806 ( 3600 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5124 -15.5124 -15.3681 -15.3681 -15.1588 -15.1588 -15.1066 -15.1066 -15.0101 -15.0101 -14.9522 -14.9522 -9.4776 -9.4776 -9.3330 -9.3330 1.6034 1.6034 1.9997 1.9997 2.5754 2.5754 2.6528 2.6528 2.9368 2.9368 3.0212 3.0212 7.4542 7.4542 7.6319 7.6319 9.2126 9.2126 9.6206 9.6206 10.0075 10.0076 k = 0.0000 0.0244 0.2806 ( 3592 PWs) bands (ev): -34.1964 -34.1964 -34.1372 -34.1372 -15.5124 -15.5124 -15.3686 -15.3686 -15.1586 -15.1586 -15.1069 -15.1069 -15.0099 -15.0099 -14.9525 -14.9525 -9.4766 -9.4766 -9.3322 -9.3322 1.6050 1.6050 1.9952 1.9952 2.5755 2.5755 2.6525 2.6525 2.9324 2.9324 3.0171 3.0171 7.4591 7.4591 7.6332 7.6332 9.2199 9.2199 9.6218 9.6218 10.0041 10.0043 k = 0.0000 0.0366 0.2806 ( 3596 PWs) bands (ev): -34.1963 -34.1963 -34.1372 -34.1372 -15.5125 -15.5125 -15.3695 -15.3695 -15.1583 -15.1583 -15.1074 -15.1074 -15.0098 -15.0098 -14.9531 -14.9531 -9.4751 -9.4751 -9.3309 -9.3309 1.6075 1.6075 1.9878 1.9878 2.5757 2.5757 2.6519 2.6519 2.9245 2.9245 3.0109 3.0109 7.4673 7.4673 7.6354 7.6354 9.2320 9.2320 9.6232 9.6232 9.9959 9.9959 k = 0.0000 0.0488 0.2806 ( 3598 PWs) bands (ev): -34.1961 -34.1961 -34.1373 -34.1373 -15.5126 -15.5126 -15.3707 -15.3707 -15.1579 -15.1579 -15.1080 -15.1080 -15.0095 -15.0095 -14.9539 -14.9539 -9.4729 -9.4729 -9.3292 -9.3292 1.6111 1.6111 1.9774 1.9774 2.5759 2.5759 2.6512 2.6512 2.9124 2.9124 3.0035 3.0035 7.4785 7.4785 7.6382 7.6382 9.2487 9.2487 9.6246 9.6246 9.9839 9.9840 k = 0.0000 0.0610 0.2806 ( 3598 PWs) bands (ev): -34.1958 -34.1958 -34.1374 -34.1374 -15.5127 -15.5127 -15.3722 -15.3722 -15.1574 -15.1574 -15.1088 -15.1088 -15.0092 -15.0092 -14.9549 -14.9549 -9.4702 -9.4702 -9.3269 -9.3269 1.6156 1.6156 1.9641 1.9641 2.5764 2.5764 2.6504 2.6504 2.8956 2.8956 2.9958 2.9958 7.4926 7.4926 7.6418 7.6418 9.2699 9.2699 9.6253 9.6253 9.9691 9.9691 k = 0.0000 0.0732 0.2806 ( 3596 PWs) bands (ev): -34.1955 -34.1955 -34.1375 -34.1375 -15.5129 -15.5129 -15.3740 -15.3740 -15.1567 -15.1567 -15.1098 -15.1098 -15.0089 -15.0089 -14.9561 -14.9561 -9.4668 -9.4668 -9.3242 -9.3242 1.6210 1.6210 1.9479 1.9479 2.5770 2.5770 2.6495 2.6495 2.8737 2.8737 2.9884 2.9884 7.5095 7.5095 7.6458 7.6458 9.2952 9.2952 9.6250 9.6250 9.9521 9.9521 k = 0.0000 0.0854 0.2806 ( 3600 PWs) bands (ev): -34.1951 -34.1951 -34.1377 -34.1377 -15.5131 -15.5131 -15.3761 -15.3761 -15.1560 -15.1560 -15.1109 -15.1109 -15.0085 -15.0085 -14.9575 -14.9575 -9.4628 -9.4628 -9.3210 -9.3210 1.6273 1.6273 1.9289 1.9289 2.5779 2.5779 2.6486 2.6486 2.8469 2.8469 2.9813 2.9813 7.5288 7.5288 7.6503 7.6503 9.3246 9.3246 9.6233 9.6233 9.9334 9.9334 k = 0.0000 0.0976 0.2806 ( 3604 PWs) bands (ev): -34.1946 -34.1946 -34.1379 -34.1379 -15.5134 -15.5134 -15.3785 -15.3785 -15.1553 -15.1553 -15.1121 -15.1121 -15.0082 -15.0082 -14.9589 -14.9589 -9.4583 -9.4583 -9.3175 -9.3175 1.6342 1.6342 1.9073 1.9073 2.5790 2.5790 2.6478 2.6478 2.8158 2.8158 2.9747 2.9747 7.5502 7.5502 7.6551 7.6551 9.3575 9.3575 9.6203 9.6203 9.9136 9.9136 k = 0.0000 0.1098 0.2806 ( 3608 PWs) bands (ev): -34.1941 -34.1941 -34.1381 -34.1381 -15.5137 -15.5137 -15.3811 -15.3811 -15.1545 -15.1545 -15.1134 -15.1134 -15.0079 -15.0079 -14.9605 -14.9605 -9.4533 -9.4533 -9.3135 -9.3135 1.6418 1.6418 1.8832 1.8832 2.5803 2.5803 2.6469 2.6469 2.7811 2.7811 2.9682 2.9682 7.5735 7.5735 7.6599 7.6599 9.3937 9.3937 9.6159 9.6159 9.8932 9.8932 k = 0.0000 0.1220 0.2806 ( 3612 PWs) bands (ev): -34.1935 -34.1935 -34.1384 -34.1384 -15.5140 -15.5140 -15.3841 -15.3841 -15.1536 -15.1536 -15.1147 -15.1147 -15.0077 -15.0077 -14.9623 -14.9623 -9.4477 -9.4477 -9.3091 -9.3091 1.6497 1.6497 1.8567 1.8567 2.5819 2.5819 2.6459 2.6459 2.7437 2.7437 2.9618 2.9618 7.5983 7.5983 7.6648 7.6648 9.4328 9.4328 9.6106 9.6106 9.8726 9.8726 k = 0.0000 0.1341 0.2806 ( 3620 PWs) bands (ev): -34.1929 -34.1929 -34.1386 -34.1386 -15.5144 -15.5144 -15.3873 -15.3873 -15.1526 -15.1526 -15.1161 -15.1161 -15.0075 -15.0075 -14.9640 -14.9640 -9.4417 -9.4417 -9.3045 -9.3045 1.6580 1.6580 1.8282 1.8282 2.5836 2.5836 2.6438 2.6438 2.7050 2.7050 2.9552 2.9552 7.6242 7.6242 7.6694 7.6694 9.4745 9.4745 9.6047 9.6047 9.8523 9.8523 k = 0.0000 0.1463 0.2806 ( 3620 PWs) bands (ev): -34.1922 -34.1922 -34.1389 -34.1389 -15.5147 -15.5147 -15.3907 -15.3907 -15.1517 -15.1517 -15.1174 -15.1174 -15.0075 -15.0075 -14.9658 -14.9658 -9.4352 -9.4352 -9.2995 -9.2995 1.6661 1.6661 1.7979 1.7979 2.5855 2.5855 2.6356 2.6356 2.6711 2.6711 2.9485 2.9485 7.6507 7.6507 7.6738 7.6738 9.5184 9.5184 9.5987 9.5987 9.8326 9.8326 k = 0.0000 0.1585 0.2806 ( 3614 PWs) bands (ev): -34.1915 -34.1915 -34.1392 -34.1392 -15.5151 -15.5151 -15.3943 -15.3943 -15.1507 -15.1507 -15.1187 -15.1187 -15.0075 -15.0075 -14.9676 -14.9676 -9.4282 -9.4282 -9.2942 -9.2942 1.6737 1.6737 1.7665 1.7665 2.5869 2.5869 2.6069 2.6069 2.6575 2.6575 2.9416 2.9416 7.6746 7.6746 7.6805 7.6805 9.5641 9.5641 9.5933 9.5933 9.8139 9.8139 k = 0.0000 0.1707 0.2806 ( 3610 PWs) bands (ev): -34.1907 -34.1907 -34.1396 -34.1396 -15.5156 -15.5156 -15.3982 -15.3982 -15.1498 -15.1498 -15.1200 -15.1200 -15.0077 -15.0077 -14.9693 -14.9693 -9.4208 -9.4208 -9.2888 -9.2888 1.6794 1.6794 1.7351 1.7351 2.5640 2.5640 2.5909 2.5909 2.6554 2.6554 2.9344 2.9344 7.6800 7.6800 7.7051 7.7051 9.5885 9.5885 9.6119 9.6119 9.7965 9.7965 k = 0.0000 0.1829 0.2806 ( 3614 PWs) bands (ev): -34.1899 -34.1899 -34.1400 -34.1400 -15.5161 -15.5161 -15.4022 -15.4022 -15.1490 -15.1490 -15.1211 -15.1211 -15.0080 -15.0080 -14.9710 -14.9710 -9.4131 -9.4131 -9.2831 -9.2831 1.6769 1.6769 1.7100 1.7100 2.5215 2.5215 2.5925 2.5925 2.6558 2.6558 2.9270 2.9270 7.6826 7.6826 7.7310 7.7310 9.5857 9.5857 9.6606 9.6606 9.7805 9.7805 k = 0.0000 0.1951 0.2806 ( 3622 PWs) bands (ev): -34.1890 -34.1890 -34.1404 -34.1404 -15.5167 -15.5167 -15.4063 -15.4063 -15.1483 -15.1483 -15.1222 -15.1222 -15.0085 -15.0085 -14.9726 -14.9726 -9.4050 -9.4050 -9.2773 -9.2773 1.6531 1.6531 1.7040 1.7040 2.4791 2.4791 2.5945 2.5945 2.6573 2.6573 2.9193 2.9193 7.6843 7.6843 7.7560 7.7560 9.5849 9.5849 9.7105 9.7105 9.7662 9.7662 k = 0.0000 0.2073 0.2806 ( 3626 PWs) bands (ev): -34.1881 -34.1881 -34.1408 -34.1408 -15.5172 -15.5172 -15.4106 -15.4106 -15.1476 -15.1476 -15.1231 -15.1231 -15.0092 -15.0092 -14.9741 -14.9741 -9.3966 -9.3966 -9.2715 -9.2715 1.6197 1.6197 1.7054 1.7054 2.4382 2.4382 2.5965 2.5965 2.6592 2.6592 2.9113 2.9113 7.6851 7.6851 7.7794 7.7794 9.5866 9.5866 9.7532 9.7532 9.7620 9.7620 k = 0.0000 0.2195 0.2806 ( 3630 PWs) bands (ev): -34.1872 -34.1872 -34.1413 -34.1413 -15.5178 -15.5178 -15.4151 -15.4151 -15.1471 -15.1471 -15.1238 -15.1238 -15.0099 -15.0099 -14.9756 -14.9756 -9.3879 -9.3879 -9.2655 -9.2655 1.5843 1.5843 1.7059 1.7059 2.4001 2.4001 2.5984 2.5984 2.6615 2.6615 2.9031 2.9031 7.6851 7.6851 7.8008 7.8008 9.5913 9.5913 9.7430 9.7430 9.8138 9.8138 k = 0.0000 0.2317 0.2806 ( 3630 PWs) bands (ev): -34.1862 -34.1862 -34.1418 -34.1418 -15.5183 -15.5183 -15.4196 -15.4196 -15.1467 -15.1467 -15.1244 -15.1244 -15.0108 -15.0108 -14.9769 -14.9769 -9.3790 -9.3790 -9.2596 -9.2596 1.5485 1.5485 1.7039 1.7039 2.3657 2.3657 2.6003 2.6003 2.6640 2.6640 2.8946 2.8946 7.6842 7.6842 7.8199 7.8199 9.5993 9.5993 9.7346 9.7346 9.8669 9.8669 k = 0.0000 0.2439 0.2806 ( 3624 PWs) bands (ev): -34.1852 -34.1852 -34.1423 -34.1423 -15.5189 -15.5189 -15.4242 -15.4242 -15.1464 -15.1464 -15.1248 -15.1248 -15.0117 -15.0117 -14.9782 -14.9782 -9.3699 -9.3699 -9.2537 -9.2537 1.5128 1.5128 1.6982 1.6982 2.3359 2.3359 2.6022 2.6022 2.6665 2.6665 2.8860 2.8860 7.6825 7.6825 7.8363 7.8363 9.6110 9.6110 9.7284 9.7284 9.9212 9.9212 k = 0.0000 0.2561 0.2806 ( 3628 PWs) bands (ev): -34.1841 -34.1841 -34.1428 -34.1428 -15.5195 -15.5195 -15.4289 -15.4289 -15.1463 -15.1463 -15.1250 -15.1250 -15.0127 -15.0127 -14.9793 -14.9793 -9.3607 -9.3607 -9.2479 -9.2479 1.4776 1.4776 1.6882 1.6882 2.3116 2.3116 2.6040 2.6040 2.6689 2.6689 2.8771 2.8771 7.6801 7.6801 7.8498 7.8498 9.6265 9.6265 9.7244 9.7244 9.9765 9.9765 k = 0.0000 0.2683 0.2806 ( 3632 PWs) bands (ev): -34.1830 -34.1830 -34.1434 -34.1434 -15.5200 -15.5200 -15.4336 -15.4336 -15.1463 -15.1463 -15.1252 -15.1252 -15.0137 -15.0137 -14.9805 -14.9805 -9.3514 -9.3514 -9.2422 -9.2422 1.4432 1.4432 1.6735 1.6735 2.2932 2.2932 2.6058 2.6058 2.6710 2.6710 2.8681 2.8681 7.6771 7.6771 7.8601 7.8601 9.6457 9.6457 9.7227 9.7228 10.0330 10.0330 k = 0.0000 0.2805 0.2806 ( 3626 PWs) bands (ev): -34.1819 -34.1819 -34.1440 -34.1440 -15.5205 -15.5205 -15.4383 -15.4383 -15.1463 -15.1463 -15.1252 -15.1252 -15.0146 -15.0146 -14.9816 -14.9816 -9.3420 -9.3420 -9.2368 -9.2368 1.4097 1.4097 1.6541 1.6541 2.2810 2.2810 2.6077 2.6077 2.6727 2.6727 2.8590 2.8590 7.6736 7.6736 7.8672 7.8672 9.6687 9.6687 9.7235 9.7235 10.0908 10.0908 k = 0.0000 0.2927 0.2806 ( 3630 PWs) bands (ev): -34.1808 -34.1808 -34.1447 -34.1447 -15.5210 -15.5210 -15.4431 -15.4431 -15.1464 -15.1464 -15.1253 -15.1253 -15.0155 -15.0155 -14.9826 -14.9826 -9.3326 -9.3326 -9.2315 -9.2315 1.3776 1.3776 1.6304 1.6304 2.2747 2.2747 2.6097 2.6097 2.6740 2.6740 2.8498 2.8498 7.6697 7.6697 7.8711 7.8711 9.6951 9.6951 9.7267 9.7267 10.1497 10.1497 k = 0.0000 0.3049 0.2806 ( 3630 PWs) bands (ev): -34.1796 -34.1796 -34.1454 -34.1454 -15.5214 -15.5214 -15.4478 -15.4478 -15.1465 -15.1465 -15.1253 -15.1253 -15.0163 -15.0163 -14.9837 -14.9837 -9.3232 -9.3232 -9.2265 -9.2265 1.3469 1.3469 1.6030 1.6030 2.2738 2.2738 2.6118 2.6118 2.6746 2.6746 2.8405 2.8405 7.6656 7.6656 7.8719 7.8719 9.7238 9.7238 9.7331 9.7331 10.2098 10.2098 k = 0.0000 0.3171 0.2806 ( 3630 PWs) bands (ev): -34.1785 -34.1785 -34.1461 -34.1461 -15.5217 -15.5217 -15.4526 -15.4526 -15.1465 -15.1465 -15.1254 -15.1254 -15.0169 -15.0169 -14.9848 -14.9848 -9.3138 -9.3138 -9.2218 -9.2218 1.3179 1.3179 1.5727 1.5727 2.2777 2.2777 2.6140 2.6140 2.6745 2.6745 2.8312 2.8312 7.6614 7.6614 7.8698 7.8698 9.7392 9.7392 9.7580 9.7580 10.2707 10.2707 k = 0.0000 0.3293 0.2806 ( 3630 PWs) bands (ev): -34.1773 -34.1773 -34.1468 -34.1468 -15.5220 -15.5220 -15.4572 -15.4572 -15.1465 -15.1465 -15.1256 -15.1256 -15.0173 -15.0173 -14.9860 -14.9860 -9.3046 -9.3046 -9.2175 -9.2175 1.2908 1.2908 1.5403 1.5403 2.2855 2.2855 2.6163 2.6163 2.6737 2.6737 2.8218 2.8218 7.6574 7.6574 7.8651 7.8651 9.7497 9.7497 9.7922 9.7922 10.3322 10.3322 k = 0.0000 0.3415 0.2806 ( 3634 PWs) bands (ev): -34.1761 -34.1761 -34.1476 -34.1476 -15.5222 -15.5222 -15.4618 -15.4618 -15.1465 -15.1465 -15.1258 -15.1258 -15.0176 -15.0176 -14.9871 -14.9871 -9.2956 -9.2956 -9.2135 -9.2135 1.2656 1.2656 1.5066 1.5066 2.2967 2.2967 2.6187 2.6187 2.6721 2.6721 2.8125 2.8125 7.6536 7.6536 7.8580 7.8580 9.7624 9.7624 9.8283 9.8283 10.3932 10.3932 k = 0.0000 0.3537 0.2806 ( 3634 PWs) bands (ev): -34.1749 -34.1749 -34.1484 -34.1484 -15.5222 -15.5222 -15.4664 -15.4664 -15.1463 -15.1463 -15.1261 -15.1261 -15.0177 -15.0177 -14.9883 -14.9883 -9.2867 -9.2867 -9.2100 -9.2100 1.2427 1.2427 1.4724 1.4724 2.3104 2.3104 2.6210 2.6210 2.6698 2.6698 2.8031 2.8031 7.6504 7.6504 7.8489 7.8489 9.7773 9.7773 9.8654 9.8654 10.4514 10.4516 k = 0.0000 0.3659 0.2806 ( 3626 PWs) bands (ev): -34.1736 -34.1736 -34.1492 -34.1492 -15.5221 -15.5221 -15.4708 -15.4708 -15.1461 -15.1461 -15.1266 -15.1266 -15.0175 -15.0175 -14.9896 -14.9896 -9.2781 -9.2781 -9.2069 -9.2069 1.2220 1.2220 1.4383 1.4383 2.3262 2.3262 2.6232 2.6232 2.6669 2.6669 2.7938 2.7938 7.6477 7.6477 7.8380 7.8380 9.7945 9.7945 9.9031 9.9031 10.4449 10.4451 k = 0.0000 0.3780 0.2806 ( 3624 PWs) bands (ev): -34.1724 -34.1724 -34.1501 -34.1501 -15.5219 -15.5219 -15.4751 -15.4751 -15.1457 -15.1457 -15.1271 -15.1271 -15.0172 -15.0172 -14.9909 -14.9909 -9.2697 -9.2697 -9.2043 -9.2043 1.2038 1.2038 1.4048 1.4048 2.3436 2.3436 2.6248 2.6248 2.6637 2.6637 2.7845 2.7845 7.6459 7.6459 7.8258 7.8258 9.8139 9.8139 9.9407 9.9407 10.4258 10.4258 k = 0.0000 0.3902 0.2806 ( 3624 PWs) bands (ev): -34.1712 -34.1712 -34.1510 -34.1510 -15.5215 -15.5215 -15.4793 -15.4793 -15.1453 -15.1453 -15.1278 -15.1278 -15.0167 -15.0167 -14.9922 -14.9922 -9.2617 -9.2617 -9.2023 -9.2023 1.1880 1.1880 1.3723 1.3723 2.3620 2.3620 2.6252 2.6252 2.6609 2.6609 2.7753 2.7753 7.6449 7.6449 7.8124 7.8124 9.8353 9.8353 9.9778 9.9778 10.4030 10.4030 k = 0.0000 0.4024 0.2806 ( 3622 PWs) bands (ev): -34.1699 -34.1699 -34.1519 -34.1519 -15.5209 -15.5209 -15.4833 -15.4833 -15.1447 -15.1447 -15.1286 -15.1286 -15.0160 -15.0160 -14.9936 -14.9936 -9.2540 -9.2540 -9.2007 -9.2007 1.1749 1.1749 1.3413 1.3413 2.3813 2.3813 2.6236 2.6236 2.6594 2.6594 2.7661 2.7661 7.6450 7.6450 7.7984 7.7984 9.8588 9.8588 10.0141 10.0141 10.3768 10.3768 k = 0.0000 0.4146 0.2806 ( 3618 PWs) bands (ev): -34.1687 -34.1687 -34.1529 -34.1529 -15.5201 -15.5201 -15.4872 -15.4872 -15.1441 -15.1441 -15.1295 -15.1295 -15.0152 -15.0152 -14.9951 -14.9951 -9.2467 -9.2467 -9.1997 -9.1997 1.1645 1.1645 1.3119 1.3119 2.4010 2.4010 2.6191 2.6191 2.6600 2.6600 2.7569 2.7569 7.6463 7.6463 7.7839 7.7839 9.8844 9.8844 10.0493 10.0493 10.3478 10.3478 k = 0.0000 0.4268 0.2806 ( 3618 PWs) bands (ev): -34.1675 -34.1675 -34.1539 -34.1539 -15.5192 -15.5192 -15.4909 -15.4909 -15.1433 -15.1433 -15.1305 -15.1305 -15.0142 -15.0142 -14.9966 -14.9966 -9.2399 -9.2399 -9.1993 -9.1993 1.1569 1.1569 1.2846 1.2846 2.4209 2.4209 2.6119 2.6119 2.6625 2.6625 2.7479 2.7479 7.6487 7.6487 7.7692 7.7692 9.9117 9.9117 10.0833 10.0833 10.3164 10.3164 k = 0.0000 0.4390 0.2806 ( 3620 PWs) bands (ev): -34.1662 -34.1662 -34.1549 -34.1549 -15.5180 -15.5180 -15.4944 -15.4944 -15.1425 -15.1425 -15.1315 -15.1315 -15.0130 -15.0130 -14.9981 -14.9981 -9.2335 -9.2335 -9.1995 -9.1995 1.1520 1.1520 1.2593 1.2593 2.4408 2.4408 2.6025 2.6025 2.6664 2.6664 2.7390 2.7390 7.6524 7.6524 7.7546 7.7546 9.9407 9.9407 10.1162 10.1162 10.2832 10.2832 k = 0.0000 0.4512 0.2806 ( 3632 PWs) bands (ev): -34.1650 -34.1650 -34.1559 -34.1559 -15.5167 -15.5167 -15.4978 -15.4978 -15.1416 -15.1416 -15.1327 -15.1327 -15.0118 -15.0118 -14.9997 -14.9997 -9.2276 -9.2276 -9.2002 -9.2002 1.1500 1.1500 1.2365 1.2365 2.4604 2.4604 2.5914 2.5914 2.6713 2.6713 2.7302 2.7302 7.6574 7.6574 7.7403 7.7403 9.9712 9.9712 10.1480 10.1480 10.2486 10.2486 k = 0.0000 0.4634 0.2806 ( 3640 PWs) bands (ev): -34.1638 -34.1638 -34.1570 -34.1570 -15.5152 -15.5152 -15.5009 -15.5009 -15.1407 -15.1407 -15.1338 -15.1338 -15.0105 -15.0105 -15.0013 -15.0013 -9.2222 -9.2222 -9.2016 -9.2016 1.1509 1.1509 1.2161 1.2161 2.4797 2.4797 2.5788 2.5788 2.6771 2.6771 2.7216 2.7216 7.6637 7.6637 7.7266 7.7266 10.0032 10.0032 10.1789 10.1789 10.2132 10.2132 k = 0.0000 0.4756 0.2806 ( 3626 PWs) bands (ev): -34.1627 -34.1627 -34.1581 -34.1581 -15.5133 -15.5133 -15.5038 -15.5038 -15.1396 -15.1396 -15.1350 -15.1350 -15.0090 -15.0090 -15.0028 -15.0028 -9.2173 -9.2173 -9.2035 -9.2035 1.1547 1.1547 1.1983 1.1983 2.4984 2.4984 2.5648 2.5648 2.6834 2.6834 2.7133 2.7133 7.6713 7.6713 7.7135 7.7135 10.0365 10.0365 10.1773 10.1773 10.2092 10.2092 k = 0.0000 0.4878 0.2806 ( 3632 PWs) bands (ev): -34.1615 -34.1615 -34.1592 -34.1592 -15.5113 -15.5113 -15.5065 -15.5065 -15.1385 -15.1385 -15.1362 -15.1362 -15.0076 -15.0076 -15.0045 -15.0045 -9.2130 -9.2130 -9.2061 -9.2061 1.1614 1.1614 1.1832 1.1832 2.5164 2.5164 2.5497 2.5497 2.6903 2.6903 2.7053 2.7053 7.6802 7.6802 7.7014 7.7014 10.0707 10.0707 10.1414 10.1414 10.2389 10.2390 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0060 -15.0060 -15.0060 -15.0060 -9.2093 -9.2093 -9.2093 -9.2093 1.1709 1.1709 1.1709 1.1709 2.5335 2.5335 2.5335 2.5335 2.6976 2.6976 2.6976 2.6976 7.6902 7.6902 7.6902 7.6902 10.1058 10.1058 10.1058 10.1058 10.2684 10.2684 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0060 -15.0060 -15.0060 -15.0060 -9.2093 -9.2093 -9.2093 -9.2093 1.1709 1.1709 1.1709 1.1709 2.5335 2.5335 2.5335 2.5335 2.6976 2.6976 2.6976 2.6976 7.6902 7.6902 7.6902 7.6902 10.1058 10.1058 10.1058 10.1058 10.2684 10.2684 k = 0.0122 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5096 -15.5096 -15.5083 -15.5083 -15.1403 -15.1403 -15.1344 -15.1344 -15.0084 -15.0084 -15.0038 -15.0038 -9.2092 -9.2092 -9.2092 -9.2092 1.1713 1.1713 1.1716 1.1716 2.5326 2.5326 2.5339 2.5339 2.6952 2.6952 2.6972 2.6972 7.6905 7.6905 7.6907 7.6907 10.1009 10.1009 10.1023 10.1023 10.2749 10.2753 k = 0.0244 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5102 -15.5102 -15.5076 -15.5076 -15.1433 -15.1433 -15.1315 -15.1315 -15.0109 -15.0109 -15.0018 -15.0018 -9.2091 -9.2091 -9.2091 -9.2091 1.1730 1.1730 1.1736 1.1736 2.5311 2.5311 2.5337 2.5337 2.6900 2.6900 2.6942 2.6942 7.6914 7.6914 7.6918 7.6918 10.0895 10.0895 10.0919 10.0919 10.2930 10.2938 k = 0.0366 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5107 -15.5107 -15.5068 -15.5068 -15.1463 -15.1463 -15.1287 -15.1287 -15.0136 -15.0136 -14.9999 -14.9999 -9.2090 -9.2090 -9.2090 -9.2090 1.1759 1.1759 1.1768 1.1768 2.5290 2.5290 2.5329 2.5329 2.6822 2.6822 2.6885 2.6885 7.6931 7.6931 7.6937 7.6937 10.0750 10.0751 10.0781 10.0781 10.3193 10.3200 k = 0.0488 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1602 -34.1602 -34.1602 -34.1602 -15.5112 -15.5112 -15.5060 -15.5060 -15.1493 -15.1493 -15.1260 -15.1260 -15.0164 -15.0164 -14.9982 -14.9982 -9.2088 -9.2088 -9.2088 -9.2088 1.1799 1.1799 1.1812 1.1812 2.5262 2.5262 2.5316 2.5316 2.6717 2.6717 2.6803 2.6803 7.6954 7.6954 7.6962 7.6962 10.0600 10.0600 10.0636 10.0636 10.3509 10.3514 k = 0.0610 0.5000 0.2806 ( 3628 PWs) bands (ev): -34.1601 -34.1601 -34.1601 -34.1601 -15.5116 -15.5116 -15.5051 -15.5051 -15.1524 -15.1524 -15.1233 -15.1233 -15.0194 -15.0194 -14.9967 -14.9967 -9.2085 -9.2085 -9.2085 -9.2085 1.1851 1.1851 1.1867 1.1867 2.5227 2.5227 2.5297 2.5297 2.6588 2.6588 2.6697 2.6697 7.6983 7.6983 7.6993 7.6993 10.0459 10.0459 10.0499 10.0499 10.3859 10.3859 k = 0.0732 0.5000 0.2806 ( 3628 PWs) bands (ev): -34.1600 -34.1600 -34.1600 -34.1600 -15.5119 -15.5119 -15.5042 -15.5042 -15.1554 -15.1554 -15.1207 -15.1207 -15.0226 -15.0226 -14.9954 -14.9954 -9.2082 -9.2082 -9.2082 -9.2082 1.1914 1.1914 1.1934 1.1934 2.5184 2.5184 2.5271 2.5271 2.6436 2.6436 2.6569 2.6569 7.7019 7.7019 7.7031 7.7031 10.0335 10.0335 10.0378 10.0378 10.4228 10.4230 k = 0.0854 0.5000 0.2806 ( 3632 PWs) bands (ev): -34.1599 -34.1599 -34.1599 -34.1599 -15.5122 -15.5122 -15.5033 -15.5033 -15.1584 -15.1584 -15.1181 -15.1181 -15.0258 -15.0258 -14.9943 -14.9943 -9.2078 -9.2078 -9.2078 -9.2078 1.1988 1.1988 1.2012 1.2012 2.5132 2.5132 2.5237 2.5237 2.6263 2.6263 2.6423 2.6423 7.7060 7.7060 7.7074 7.7074 10.0232 10.0232 10.0277 10.0277 10.4606 10.4614 k = 0.0976 0.5000 0.2806 ( 3632 PWs) bands (ev): -34.1598 -34.1598 -34.1598 -34.1598 -15.5124 -15.5124 -15.5024 -15.5024 -15.1614 -15.1614 -15.1156 -15.1156 -15.0292 -15.0292 -14.9933 -14.9933 -9.2073 -9.2073 -9.2073 -9.2073 1.2073 1.2073 1.2100 1.2100 2.5069 2.5069 2.5194 2.5194 2.6073 2.6073 2.6262 2.6262 7.7106 7.7106 7.7122 7.7122 10.0152 10.0152 10.0198 10.0198 10.4993 10.4998 k = 0.1098 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1596 -34.1596 -34.1596 -34.1596 -15.5126 -15.5126 -15.5014 -15.5014 -15.1644 -15.1644 -15.1132 -15.1132 -15.0327 -15.0327 -14.9926 -14.9926 -9.2069 -9.2069 -9.2068 -9.2068 1.2167 1.2167 1.2199 1.2199 2.4992 2.4992 2.5138 2.5138 2.5872 2.5872 2.6090 2.6090 7.7157 7.7157 7.7175 7.7175 10.0096 10.0096 10.0144 10.0144 10.5357 10.5379 k = 0.1220 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1595 -34.1595 -34.1595 -34.1595 -15.5128 -15.5128 -15.5005 -15.5005 -15.1673 -15.1673 -15.1108 -15.1108 -15.0363 -15.0363 -14.9919 -14.9919 -9.2063 -9.2063 -9.2063 -9.2063 1.2270 1.2270 1.2307 1.2307 2.4897 2.4897 2.5062 2.5062 2.5669 2.5669 2.5913 2.5913 7.7213 7.7213 7.7232 7.7232 10.0066 10.0066 10.0115 10.0115 10.5721 10.5738 k = 0.1341 0.5000 0.2806 ( 3640 PWs) bands (ev): -34.1593 -34.1593 -34.1593 -34.1593 -15.5129 -15.5129 -15.4996 -15.4996 -15.1701 -15.1701 -15.1085 -15.1085 -15.0400 -15.0400 -14.9915 -14.9915 -9.2057 -9.2057 -9.2057 -9.2057 1.2382 1.2382 1.2423 1.2423 2.4781 2.4781 2.4951 2.4951 2.5481 2.5481 2.5738 2.5738 7.7272 7.7272 7.7293 7.7293 10.0060 10.0060 10.0110 10.0110 10.6059 10.6086 k = 0.1463 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1591 -34.1591 -34.1591 -34.1591 -15.5130 -15.5130 -15.4987 -15.4987 -15.1728 -15.1728 -15.1062 -15.1062 -15.0437 -15.0437 -14.9913 -14.9913 -9.2051 -9.2051 -9.2051 -9.2051 1.2501 1.2501 1.2548 1.2548 2.4637 2.4637 2.4790 2.4790 2.5325 2.5325 2.5572 2.5572 7.7334 7.7334 7.7357 7.7357 10.0080 10.0080 10.0130 10.0130 10.6366 10.6372 k = 0.1585 0.5000 0.2806 ( 3632 PWs) bands (ev): -34.1589 -34.1589 -34.1589 -34.1589 -15.5130 -15.5130 -15.4978 -15.4978 -15.1754 -15.1754 -15.1040 -15.1040 -15.0475 -15.0475 -14.9912 -14.9912 -9.2044 -9.2044 -9.2044 -9.2044 1.2628 1.2628 1.2681 1.2681 2.4464 2.4464 2.4576 2.4576 2.5206 2.5206 2.5421 2.5421 7.7400 7.7400 7.7423 7.7423 10.0123 10.0123 10.0173 10.0173 10.6648 10.6691 k = 0.1707 0.5000 0.2806 ( 3632 PWs) bands (ev): -34.1587 -34.1587 -34.1587 -34.1587 -15.5130 -15.5130 -15.4970 -15.4970 -15.1778 -15.1778 -15.1019 -15.1019 -15.0514 -15.0514 -14.9912 -14.9912 -9.2037 -9.2037 -9.2037 -9.2037 1.2760 1.2760 1.2819 1.2819 2.4263 2.4263 2.4324 2.4324 2.5111 2.5111 2.5285 2.5285 7.7468 7.7468 7.7492 7.7492 10.0188 10.0188 10.0239 10.0239 10.6897 10.6898 k = 0.1829 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1585 -34.1585 -34.1585 -34.1585 -15.5130 -15.5130 -15.4962 -15.4962 -15.1801 -15.1801 -15.0997 -15.0997 -15.0553 -15.0553 -14.9914 -14.9914 -9.2030 -9.2030 -9.2030 -9.2030 1.2898 1.2898 1.2964 1.2964 2.4037 2.4037 2.4051 2.4051 2.5027 2.5027 2.5162 2.5162 7.7538 7.7538 7.7563 7.7563 10.0275 10.0275 10.0326 10.0326 10.7124 10.7174 k = 0.1951 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1582 -34.1582 -34.1582 -34.1582 -15.5129 -15.5129 -15.4956 -15.4956 -15.1822 -15.1822 -15.0977 -15.0977 -15.0592 -15.0592 -14.9918 -14.9918 -9.2023 -9.2023 -9.2022 -9.2022 1.3039 1.3039 1.3113 1.3113 2.3766 2.3766 2.3795 2.3795 2.4948 2.4948 2.5049 2.5049 7.7609 7.7609 7.7635 7.7635 10.0382 10.0382 10.0432 10.0432 10.7327 10.7345 k = 0.2073 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1580 -34.1580 -34.1580 -34.1580 -15.5129 -15.5129 -15.4950 -15.4950 -15.1842 -15.1842 -15.0957 -15.0957 -15.0632 -15.0632 -14.9923 -14.9923 -9.2015 -9.2015 -9.2014 -9.2014 1.3184 1.3184 1.3265 1.3265 2.3475 2.3475 2.3540 2.3540 2.4869 2.4869 2.4942 2.4942 7.7682 7.7682 7.7709 7.7709 10.0506 10.0506 10.0555 10.0555 10.7512 10.7539 k = 0.2195 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1578 -34.1578 -34.1578 -34.1578 -15.5129 -15.5129 -15.4945 -15.4945 -15.1859 -15.1859 -15.0938 -15.0938 -15.0670 -15.0670 -14.9930 -14.9930 -9.2007 -9.2007 -9.2006 -9.2006 1.3330 1.3330 1.3419 1.3419 2.3182 2.3182 2.3280 2.3280 2.4789 2.4789 2.4838 2.4838 7.7756 7.7756 7.7783 7.7783 10.0646 10.0646 10.0694 10.0694 10.7687 10.7698 k = 0.2317 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1575 -34.1575 -34.1575 -34.1575 -15.5128 -15.5128 -15.4941 -15.4941 -15.1874 -15.1874 -15.0920 -15.0920 -15.0708 -15.0708 -14.9938 -14.9938 -9.1999 -9.1999 -9.1998 -9.1998 1.3477 1.3477 1.3575 1.3575 2.2892 2.2892 2.3019 2.3019 2.4706 2.4706 2.4735 2.4735 7.7830 7.7830 7.7858 7.7858 10.0799 10.0799 10.0845 10.0845 10.7862 10.7887 k = 0.2439 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1573 -34.1573 -34.1573 -34.1573 -15.5128 -15.5128 -15.4938 -15.4938 -15.1887 -15.1887 -15.0905 -15.0905 -15.0743 -15.0743 -14.9948 -14.9948 -9.1991 -9.1991 -9.1990 -9.1990 1.3623 1.3623 1.3730 1.3730 2.2607 2.2607 2.2760 2.2760 2.4620 2.4620 2.4633 2.4633 7.7906 7.7906 7.7933 7.7933 10.0962 10.0962 10.1007 10.1007 10.8036 10.8098 k = 0.2561 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1571 -34.1571 -34.1571 -34.1571 -15.5127 -15.5127 -15.4937 -15.4937 -15.1897 -15.1897 -15.0896 -15.0896 -15.0773 -15.0773 -14.9960 -14.9960 -9.1983 -9.1983 -9.1982 -9.1982 1.3767 1.3767 1.3882 1.3882 2.2330 2.2330 2.2507 2.2507 2.4529 2.4529 2.4531 2.4531 7.7981 7.7981 7.8009 7.8009 10.1133 10.1133 10.1176 10.1176 10.8215 10.8224 k = 0.2683 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1568 -34.1568 -34.1568 -34.1568 -15.5126 -15.5126 -15.4936 -15.4936 -15.1905 -15.1905 -15.0900 -15.0900 -15.0789 -15.0789 -14.9972 -14.9972 -9.1975 -9.1975 -9.1974 -9.1974 1.3907 1.3907 1.4032 1.4032 2.2064 2.2064 2.2264 2.2264 2.4423 2.4423 2.4440 2.4440 7.8056 7.8056 7.8084 7.8084 10.1309 10.1309 10.1350 10.1350 10.8409 10.8420 k = 0.2805 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1566 -34.1566 -34.1566 -34.1566 -15.5126 -15.5126 -15.4937 -15.4937 -15.1910 -15.1910 -15.0920 -15.0920 -15.0789 -15.0789 -14.9985 -14.9985 -9.1967 -9.1967 -9.1966 -9.1966 1.4042 1.4042 1.4176 1.4176 2.1812 2.1812 2.2032 2.2032 2.4316 2.4316 2.4345 2.4345 7.8131 7.8131 7.8158 7.8158 10.1486 10.1486 10.1524 10.1524 10.8612 10.8615 k = 0.2927 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1563 -34.1563 -34.1563 -34.1563 -15.5125 -15.5125 -15.4939 -15.4939 -15.1912 -15.1912 -15.0951 -15.0951 -15.0778 -15.0778 -15.0000 -15.0000 -9.1959 -9.1959 -9.1958 -9.1958 1.4171 1.4171 1.4314 1.4314 2.1576 2.1576 2.1815 2.1815 2.4207 2.4207 2.4246 2.4246 7.8206 7.8206 7.8232 7.8232 10.1661 10.1661 10.1698 10.1698 10.8833 10.8856 k = 0.3049 0.5000 0.2806 ( 3628 PWs) bands (ev): -34.1561 -34.1561 -34.1561 -34.1561 -15.5125 -15.5125 -15.4943 -15.4943 -15.1912 -15.1912 -15.0987 -15.0987 -15.0762 -15.0762 -15.0016 -15.0016 -9.1951 -9.1951 -9.1951 -9.1951 1.4291 1.4291 1.4443 1.4443 2.1359 2.1359 2.1615 2.1615 2.4096 2.4096 2.4145 2.4145 7.8279 7.8279 7.8305 7.8305 10.1833 10.1833 10.1867 10.1867 10.9064 10.9067 k = 0.3171 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1559 -34.1559 -34.1559 -34.1559 -15.5124 -15.5124 -15.4947 -15.4947 -15.1909 -15.1909 -15.1025 -15.1025 -15.0742 -15.0742 -15.0033 -15.0033 -9.1944 -9.1944 -9.1943 -9.1943 1.4403 1.4403 1.4562 1.4562 2.1162 2.1162 2.1433 2.1433 2.3983 2.3983 2.4042 2.4042 7.8352 7.8352 7.8377 7.8377 10.1998 10.1998 10.2030 10.2030 10.9333 10.9384 k = 0.3293 0.5000 0.2806 ( 3608 PWs) bands (ev): -34.1557 -34.1557 -34.1557 -34.1557 -15.5122 -15.5122 -15.4952 -15.4952 -15.1903 -15.1903 -15.1064 -15.1064 -15.0722 -15.0722 -15.0051 -15.0051 -9.1936 -9.1936 -9.1936 -9.1936 1.4505 1.4505 1.4670 1.4670 2.0988 2.0988 2.1272 2.1272 2.3868 2.3868 2.3936 2.3936 7.8423 7.8423 7.8447 7.8447 10.2154 10.2154 10.2184 10.2184 10.9593 10.9675 k = 0.3415 0.5000 0.2806 ( 3608 PWs) bands (ev): -34.1555 -34.1555 -34.1555 -34.1555 -15.5121 -15.5121 -15.4958 -15.4958 -15.1894 -15.1894 -15.1103 -15.1103 -15.0700 -15.0700 -15.0070 -15.0070 -9.1930 -9.1930 -9.1929 -9.1929 1.4595 1.4595 1.4764 1.4764 2.0838 2.0838 2.1131 2.1131 2.3753 2.3753 2.3829 2.3829 7.8493 7.8493 7.8515 7.8515 10.2301 10.2301 10.2328 10.2328 10.9836 10.9850 k = 0.3537 0.5000 0.2806 ( 3612 PWs) bands (ev): -34.1553 -34.1553 -34.1553 -34.1553 -15.5120 -15.5120 -15.4965 -15.4965 -15.1883 -15.1883 -15.1142 -15.1142 -15.0678 -15.0678 -15.0090 -15.0090 -9.1923 -9.1923 -9.1922 -9.1922 1.4674 1.4674 1.4844 1.4844 2.0713 2.0713 2.1013 2.1013 2.3637 2.3637 2.3720 2.3720 7.8559 7.8559 7.8581 7.8581 10.2435 10.2435 10.2460 10.2460 11.0106 11.0136 k = 0.3659 0.5000 0.2806 ( 3612 PWs) bands (ev): -34.1551 -34.1551 -34.1551 -34.1551 -15.5118 -15.5118 -15.4973 -15.4973 -15.1870 -15.1870 -15.1182 -15.1182 -15.0655 -15.0655 -15.0111 -15.0111 -9.1917 -9.1917 -9.1916 -9.1916 1.4741 1.4741 1.4911 1.4911 2.0615 2.0615 2.0916 2.0916 2.3521 2.3521 2.3610 2.3610 7.8624 7.8624 7.8644 7.8644 10.2558 10.2558 10.2581 10.2581 11.0394 11.0435 k = 0.3780 0.5000 0.2806 ( 3616 PWs) bands (ev): -34.1549 -34.1549 -34.1549 -34.1549 -15.5117 -15.5117 -15.4981 -15.4981 -15.1854 -15.1854 -15.1221 -15.1221 -15.0632 -15.0632 -15.0133 -15.0133 -9.1911 -9.1911 -9.1911 -9.1911 1.4797 1.4797 1.4963 1.4963 2.0541 2.0541 2.0840 2.0840 2.3407 2.3407 2.3500 2.3500 7.8684 7.8684 7.8703 7.8703 10.2669 10.2669 10.2689 10.2689 11.0629 11.0684 k = 0.3902 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1548 -34.1548 -34.1548 -34.1548 -15.5115 -15.5115 -15.4990 -15.4990 -15.1835 -15.1835 -15.1260 -15.1260 -15.0608 -15.0608 -15.0155 -15.0155 -9.1906 -9.1906 -9.1905 -9.1905 1.4842 1.4842 1.5001 1.5001 2.0492 2.0492 2.0783 2.0783 2.3295 2.3295 2.3391 2.3391 7.8742 7.8742 7.8759 7.8759 10.2767 10.2767 10.2785 10.2785 11.0869 11.0899 k = 0.4024 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1546 -34.1546 -34.1546 -34.1546 -15.5112 -15.5112 -15.4999 -15.4999 -15.1815 -15.1815 -15.1299 -15.1299 -15.0584 -15.0584 -15.0178 -15.0178 -9.1901 -9.1901 -9.1900 -9.1900 1.4878 1.4878 1.5026 1.5026 2.0465 2.0465 2.0744 2.0744 2.3187 2.3187 2.3285 2.3285 7.8795 7.8795 7.8810 7.8810 10.2852 10.2852 10.2869 10.2869 11.1095 11.1128 k = 0.4146 0.5000 0.2806 ( 3628 PWs) bands (ev): -34.1545 -34.1545 -34.1545 -34.1545 -15.5109 -15.5109 -15.5009 -15.5009 -15.1793 -15.1793 -15.1337 -15.1337 -15.0559 -15.0559 -15.0202 -15.0202 -9.1896 -9.1896 -9.1896 -9.1896 1.4906 1.4906 1.5041 1.5041 2.0457 2.0457 2.0719 2.0719 2.3084 2.3084 2.3181 2.3181 7.8843 7.8843 7.8857 7.8857 10.2926 10.2926 10.2941 10.2941 11.1292 11.1337 k = 0.4268 0.5000 0.2806 ( 3632 PWs) bands (ev): -34.1544 -34.1544 -34.1544 -34.1544 -15.5105 -15.5105 -15.5019 -15.5019 -15.1768 -15.1768 -15.1375 -15.1375 -15.0534 -15.0534 -15.0227 -15.0227 -9.1892 -9.1892 -9.1892 -9.1892 1.4927 1.4927 1.5047 1.5047 2.0467 2.0467 2.0706 2.0706 2.2990 2.2990 2.3083 2.3083 7.8886 7.8886 7.8898 7.8898 10.2989 10.2989 10.3001 10.3001 11.1452 11.1510 k = 0.4390 0.5000 0.2806 ( 3628 PWs) bands (ev): -34.1543 -34.1543 -34.1543 -34.1543 -15.5101 -15.5101 -15.5028 -15.5028 -15.1742 -15.1742 -15.1412 -15.1412 -15.0509 -15.0509 -15.0251 -15.0251 -9.1889 -9.1889 -9.1889 -9.1889 1.4943 1.4943 1.5046 1.5046 2.0489 2.0489 2.0701 2.0701 2.2905 2.2905 2.2992 2.2992 7.8924 7.8924 7.8934 7.8934 10.3041 10.3041 10.3051 10.3051 11.1591 11.1635 k = 0.4512 0.5000 0.2806 ( 3624 PWs) bands (ev): -34.1542 -34.1542 -34.1542 -34.1542 -15.5096 -15.5096 -15.5037 -15.5037 -15.1714 -15.1714 -15.1449 -15.1449 -15.0483 -15.0483 -15.0276 -15.0276 -9.1886 -9.1886 -9.1886 -9.1886 1.4955 1.4955 1.5040 1.5040 2.0520 2.0520 2.0698 2.0698 2.2833 2.2833 2.2909 2.2909 7.8956 7.8956 7.8964 7.8964 10.3083 10.3083 10.3091 10.3091 11.1708 11.1738 k = 0.4634 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1541 -34.1541 -34.1541 -34.1541 -15.5090 -15.5090 -15.5046 -15.5046 -15.1685 -15.1685 -15.1485 -15.1485 -15.0457 -15.0457 -15.0302 -15.0302 -9.1884 -9.1884 -9.1884 -9.1884 1.4966 1.4966 1.5031 1.5031 2.0556 2.0556 2.0696 2.0696 2.2776 2.2776 2.2838 2.2838 7.8981 7.8981 7.8987 7.8987 10.3115 10.3115 10.3121 10.3121 11.1786 11.1810 k = 0.4756 0.5000 0.2806 ( 3620 PWs) bands (ev): -34.1541 -34.1541 -34.1541 -34.1541 -15.5084 -15.5084 -15.5054 -15.5054 -15.1654 -15.1654 -15.1521 -15.1521 -15.0431 -15.0431 -15.0327 -15.0327 -9.1883 -9.1883 -9.1883 -9.1883 1.4976 1.4976 1.5020 1.5020 2.0593 2.0593 2.0689 2.0689 2.2737 2.2737 2.2781 2.2781 7.9000 7.9000 7.9004 7.9004 10.3138 10.3138 10.3142 10.3142 11.1842 11.1859 k = 0.4878 0.5000 0.2806 ( 3612 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5077 -15.5077 -15.5062 -15.5062 -15.1622 -15.1622 -15.1555 -15.1555 -15.0405 -15.0405 -15.0353 -15.0353 -9.1882 -9.1882 -9.1882 -9.1882 1.4986 1.4986 1.5008 1.5008 2.0627 2.0627 2.0676 2.0676 2.2718 2.2718 2.2741 2.2741 7.9011 7.9011 7.9013 7.9013 10.3152 10.3152 10.3154 10.3154 11.1876 11.1884 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1881 -9.1881 -9.1881 -9.1881 1.4997 1.4997 1.4997 1.4997 2.0655 2.0655 2.0655 2.0655 2.2719 2.2719 2.2719 2.2719 7.9016 7.9016 7.9016 7.9016 10.3157 10.3157 10.3157 10.3157 11.1889 11.1889 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1881 -9.1881 -9.1881 -9.1881 1.4997 1.4997 1.4997 1.4997 2.0655 2.0655 2.0655 2.0655 2.2719 2.2719 2.2719 2.2719 7.9016 7.9016 7.9016 7.9016 10.3157 10.3157 10.3157 10.3157 11.1889 11.1889 k = 0.4914 0.4914 0.2806 ( 3614 PWs) bands (ev): -34.1541 -34.1541 -34.1540 -34.1540 -15.5077 -15.5077 -15.5062 -15.5062 -15.1622 -15.1622 -15.1555 -15.1555 -15.0405 -15.0405 -15.0353 -15.0353 -9.1882 -9.1882 -9.1881 -9.1881 1.4985 1.4985 1.5010 1.5010 2.0625 2.0625 2.0678 2.0678 2.2718 2.2718 2.2741 2.2741 7.9006 7.9006 7.9019 7.9019 10.3151 10.3151 10.3155 10.3155 11.1868 11.1879 k = 0.4828 0.4828 0.2806 ( 3618 PWs) bands (ev): -34.1542 -34.1542 -34.1540 -34.1540 -15.5084 -15.5084 -15.5054 -15.5054 -15.1654 -15.1654 -15.1521 -15.1521 -15.0431 -15.0431 -15.0327 -15.0327 -9.1885 -9.1885 -9.1880 -9.1880 1.4967 1.4967 1.5030 1.5030 2.0581 2.0581 2.0700 2.0700 2.2736 2.2736 2.2782 2.2782 7.8977 7.8977 7.9026 7.9026 10.3131 10.3131 10.3149 10.3149 11.1796 11.1798 k = 0.4741 0.4741 0.2806 ( 3616 PWs) bands (ev): -34.1543 -34.1543 -34.1539 -34.1539 -15.5090 -15.5090 -15.5046 -15.5046 -15.1685 -15.1685 -15.1485 -15.1485 -15.0457 -15.0457 -15.0302 -15.0302 -9.1889 -9.1889 -9.1879 -9.1879 1.4940 1.4940 1.5061 1.5061 2.0520 2.0520 2.0727 2.0727 2.2773 2.2773 2.2842 2.2842 7.8930 7.8930 7.9039 7.9039 10.3097 10.3097 10.3138 10.3138 11.1688 11.1689 k = 0.4655 0.4655 0.2806 ( 3616 PWs) bands (ev): -34.1545 -34.1545 -34.1538 -34.1538 -15.5096 -15.5096 -15.5036 -15.5036 -15.1714 -15.1714 -15.1449 -15.1449 -15.0483 -15.0483 -15.0276 -15.0276 -9.1896 -9.1896 -9.1877 -9.1877 1.4906 1.4906 1.5104 1.5104 2.0441 2.0441 2.0761 2.0761 2.2826 2.2826 2.2918 2.2918 7.8866 7.8866 7.9057 7.9057 10.3047 10.3047 10.3123 10.3123 11.1550 11.1550 k = 0.4569 0.4569 0.2806 ( 3624 PWs) bands (ev): -34.1548 -34.1548 -34.1537 -34.1537 -15.5101 -15.5101 -15.5027 -15.5027 -15.1742 -15.1742 -15.1413 -15.1413 -15.0509 -15.0509 -15.0251 -15.0251 -9.1904 -9.1904 -9.1875 -9.1875 1.4866 1.4866 1.5159 1.5159 2.0346 2.0346 2.0804 2.0804 2.2893 2.2893 2.3008 2.3008 7.8787 7.8787 7.9081 7.9081 10.2978 10.2978 10.3102 10.3102 11.1391 11.1392 k = 0.4483 0.4483 0.2806 ( 3626 PWs) bands (ev): -34.1551 -34.1551 -34.1536 -34.1536 -15.5106 -15.5106 -15.5016 -15.5016 -15.1768 -15.1768 -15.1375 -15.1375 -15.0534 -15.0534 -15.0226 -15.0226 -9.1914 -9.1914 -9.1873 -9.1873 1.4821 1.4821 1.5226 1.5226 2.0239 2.0239 2.0855 2.0855 2.2972 2.2972 2.3110 2.3110 7.8696 7.8696 7.9109 7.9109 10.2889 10.2889 10.3078 10.3078 11.1224 11.1224 k = 0.4397 0.4397 0.2806 ( 3634 PWs) bands (ev): -34.1555 -34.1555 -34.1534 -34.1534 -15.5110 -15.5110 -15.5005 -15.5005 -15.1793 -15.1793 -15.1338 -15.1338 -15.0560 -15.0560 -15.0202 -15.0202 -9.1927 -9.1927 -9.1871 -9.1871 1.4774 1.4774 1.5304 1.5304 2.0119 2.0119 2.0915 2.0915 2.3059 2.3059 2.3223 2.3223 7.8594 7.8594 7.9141 7.9141 10.2777 10.2777 10.3049 10.3049 11.1057 11.1057 k = 0.4310 0.4310 0.2806 ( 3634 PWs) bands (ev): -34.1560 -34.1560 -34.1533 -34.1533 -15.5114 -15.5114 -15.4993 -15.4993 -15.1816 -15.1816 -15.1301 -15.1301 -15.0584 -15.0584 -15.0178 -15.0178 -9.1941 -9.1941 -9.1868 -9.1868 1.4728 1.4728 1.5395 1.5395 1.9991 1.9991 2.0985 2.0985 2.3151 2.3151 2.3345 2.3345 7.8484 7.8484 7.9179 7.9179 10.2640 10.2640 10.3016 10.3016 11.0901 11.0901 k = 0.4224 0.4224 0.2806 ( 3642 PWs) bands (ev): -34.1565 -34.1565 -34.1530 -34.1530 -15.5117 -15.5117 -15.4982 -15.4982 -15.1838 -15.1838 -15.1263 -15.1263 -15.0608 -15.0608 -15.0154 -15.0154 -9.1958 -9.1958 -9.1866 -9.1866 1.4685 1.4685 1.5497 1.5497 1.9855 1.9855 2.1063 2.1063 2.3246 2.3246 2.3475 2.3475 7.8369 7.8369 7.9220 7.9220 10.2480 10.2480 10.2978 10.2978 11.0759 11.0759 k = 0.4138 0.4138 0.2806 ( 3634 PWs) bands (ev): -34.1571 -34.1571 -34.1528 -34.1528 -15.5120 -15.5120 -15.4968 -15.4968 -15.1857 -15.1857 -15.1226 -15.1226 -15.0632 -15.0632 -15.0130 -15.0130 -9.1978 -9.1978 -9.1864 -9.1864 1.4647 1.4647 1.5611 1.5611 1.9712 1.9712 2.1151 2.1151 2.3342 2.3342 2.3611 2.3611 7.8251 7.8251 7.9266 7.9266 10.2296 10.2296 10.2936 10.2936 11.0636 11.0636 k = 0.4052 0.4052 0.2806 ( 3636 PWs) bands (ev): -34.1577 -34.1577 -34.1526 -34.1526 -15.5122 -15.5122 -15.4954 -15.4954 -15.1874 -15.1874 -15.1188 -15.1188 -15.0654 -15.0654 -15.0108 -15.0108 -9.2000 -9.2000 -9.1862 -9.1862 1.4616 1.4616 1.5736 1.5736 1.9565 1.9565 2.1247 2.1247 2.3435 2.3435 2.3754 2.3754 7.8134 7.8134 7.9317 7.9317 10.2090 10.2090 10.2890 10.2890 11.0530 11.0530 k = 0.3966 0.3966 0.2806 ( 3628 PWs) bands (ev): -34.1584 -34.1584 -34.1523 -34.1523 -15.5124 -15.5124 -15.4940 -15.4940 -15.1889 -15.1889 -15.1152 -15.1152 -15.0675 -15.0675 -15.0085 -15.0085 -9.2025 -9.2025 -9.1861 -9.1861 1.4594 1.4594 1.5873 1.5873 1.9414 1.9414 2.1353 2.1353 2.3523 2.3523 2.3902 2.3902 7.8018 7.8018 7.9370 7.9370 10.1866 10.1866 10.2840 10.2840 11.0437 11.0437 k = 0.3879 0.3879 0.2806 ( 3628 PWs) bands (ev): -34.1591 -34.1591 -34.1520 -34.1520 -15.5126 -15.5126 -15.4924 -15.4924 -15.1903 -15.1903 -15.1116 -15.1116 -15.0696 -15.0696 -15.0064 -15.0064 -9.2052 -9.2052 -9.1861 -9.1861 1.4583 1.4583 1.6020 1.6020 1.9260 1.9260 2.1467 2.1467 2.3605 2.3605 2.4054 2.4054 7.7907 7.7907 7.9427 7.9427 10.1627 10.1627 10.2786 10.2786 11.0351 11.0352 k = 0.3793 0.3793 0.2806 ( 3628 PWs) bands (ev): -34.1599 -34.1599 -34.1517 -34.1517 -15.5128 -15.5128 -15.4908 -15.4908 -15.1913 -15.1913 -15.1081 -15.1081 -15.0714 -15.0714 -15.0043 -15.0043 -9.2083 -9.2083 -9.1862 -9.1862 1.4585 1.4585 1.6178 1.6178 1.9105 1.9105 2.1590 2.1590 2.3679 2.3679 2.4211 2.4211 7.7802 7.7802 7.9486 7.9486 10.1379 10.1379 10.2728 10.2728 11.0265 11.0265 k = 0.3707 0.3707 0.2806 ( 3626 PWs) bands (ev): -34.1607 -34.1607 -34.1514 -34.1514 -15.5129 -15.5129 -15.4890 -15.4890 -15.1922 -15.1922 -15.1049 -15.1049 -15.0729 -15.0729 -15.0023 -15.0023 -9.2117 -9.2117 -9.1864 -9.1864 1.4601 1.4601 1.6346 1.6346 1.8951 1.8951 2.1722 2.1722 2.3745 2.3745 2.4371 2.4371 7.7705 7.7705 7.9548 7.9548 10.1124 10.1124 10.2667 10.2667 11.0171 11.0171 k = 0.3621 0.3621 0.2806 ( 3618 PWs) bands (ev): -34.1615 -34.1615 -34.1510 -34.1510 -15.5130 -15.5130 -15.4872 -15.4872 -15.1928 -15.1928 -15.1020 -15.1020 -15.0741 -15.0741 -15.0003 -15.0003 -9.2155 -9.2155 -9.1868 -9.1868 1.4632 1.4632 1.6524 1.6524 1.8797 1.8797 2.1862 2.1862 2.3800 2.3800 2.4534 2.4534 7.7617 7.7617 7.9611 7.9611 10.0868 10.0868 10.2604 10.2604 11.0064 11.0064 k = 0.3534 0.3534 0.2806 ( 3622 PWs) bands (ev): -34.1624 -34.1624 -34.1506 -34.1506 -15.5132 -15.5132 -15.4853 -15.4853 -15.1932 -15.1932 -15.0996 -15.0996 -15.0748 -15.0748 -14.9984 -14.9984 -9.2195 -9.2195 -9.1873 -9.1873 1.4678 1.4678 1.6711 1.6711 1.8647 1.8647 2.2010 2.2010 2.3844 2.3844 2.4699 2.4699 7.7538 7.7538 7.9675 7.9675 10.0612 10.0612 10.2539 10.2539 10.9939 10.9939 k = 0.3448 0.3448 0.2806 ( 3622 PWs) bands (ev): -34.1634 -34.1634 -34.1503 -34.1503 -15.5134 -15.5134 -15.4832 -15.4832 -15.1934 -15.1934 -15.0979 -15.0979 -15.0749 -15.0749 -14.9966 -14.9966 -9.2239 -9.2239 -9.1880 -9.1880 1.4741 1.4741 1.6905 1.6905 1.8502 1.8502 2.2167 2.2167 2.3878 2.3878 2.4866 2.4866 7.7469 7.7469 7.9739 7.9739 10.0361 10.0361 10.2473 10.2473 10.9795 10.9795 k = 0.3362 0.3362 0.2806 ( 3622 PWs) bands (ev): -34.1643 -34.1643 -34.1499 -34.1499 -15.5135 -15.5135 -15.4810 -15.4810 -15.1933 -15.1933 -15.0969 -15.0969 -15.0741 -15.0741 -14.9949 -14.9949 -9.2287 -9.2287 -9.1889 -9.1889 1.4820 1.4820 1.7105 1.7105 1.8365 1.8365 2.2330 2.2330 2.3901 2.3901 2.5034 2.5034 7.7411 7.7411 7.9801 7.9801 10.0116 10.0116 10.2407 10.2407 10.9635 10.9635 k = 0.3276 0.3276 0.2806 ( 3614 PWs) bands (ev): -34.1653 -34.1653 -34.1495 -34.1495 -15.5137 -15.5137 -15.4786 -15.4786 -15.1930 -15.1930 -15.0967 -15.0967 -15.0724 -15.0724 -14.9933 -14.9933 -9.2338 -9.2338 -9.1901 -9.1901 1.4915 1.4915 1.7305 1.7305 1.8243 1.8243 2.2501 2.2501 2.3915 2.3915 2.5202 2.5202 7.7364 7.7364 7.9862 7.9862 9.9879 9.9879 10.2341 10.2341 10.9461 10.9461 k = 0.3190 0.3190 0.2806 ( 3616 PWs) bands (ev): -34.1663 -34.1663 -34.1491 -34.1491 -15.5139 -15.5139 -15.4762 -15.4762 -15.1926 -15.1926 -15.0971 -15.0971 -15.0701 -15.0701 -14.9917 -14.9917 -9.2393 -9.2393 -9.1914 -9.1914 1.5026 1.5026 1.7489 1.7489 1.8151 1.8151 2.2679 2.2679 2.3920 2.3920 2.5369 2.5369 7.7326 7.7326 7.9919 7.9919 9.9650 9.9650 10.2277 10.2277 10.9278 10.9279 k = 0.3103 0.3103 0.2806 ( 3616 PWs) bands (ev): -34.1674 -34.1674 -34.1486 -34.1486 -15.5140 -15.5140 -15.4736 -15.4736 -15.1918 -15.1918 -15.0980 -15.0980 -15.0674 -15.0674 -14.9903 -14.9903 -9.2451 -9.2451 -9.1931 -9.1931 1.5152 1.5152 1.7615 1.7615 1.8133 1.8133 2.2862 2.2862 2.3919 2.3919 2.5535 2.5535 7.7298 7.7298 7.9971 7.9971 9.9430 9.9430 10.2214 10.2214 10.9061 10.9091 k = 0.3017 0.3017 0.2806 ( 3610 PWs) bands (ev): -34.1685 -34.1685 -34.1482 -34.1482 -15.5142 -15.5142 -15.4709 -15.4709 -15.1909 -15.1909 -15.0991 -15.0991 -15.0643 -15.0643 -14.9889 -14.9889 -9.2513 -9.2513 -9.1950 -9.1950 1.5292 1.5292 1.7631 1.7631 1.8242 1.8242 2.3048 2.3048 2.3913 2.3913 2.5699 2.5699 7.7279 7.7279 8.0018 8.0018 9.9220 9.9220 10.2156 10.2156 10.8280 10.8281 k = 0.2931 0.2931 0.2806 ( 3610 PWs) bands (ev): -34.1696 -34.1696 -34.1478 -34.1478 -15.5144 -15.5144 -15.4680 -15.4680 -15.1897 -15.1897 -15.1005 -15.1005 -15.0611 -15.0611 -14.9876 -14.9876 -9.2578 -9.2578 -9.1971 -9.1971 1.5444 1.5444 1.7574 1.7574 1.8442 1.8442 2.3235 2.3235 2.3910 2.3910 2.5861 2.5861 7.7268 7.7268 8.0057 8.0057 9.9018 9.9018 10.2101 10.2101 10.7584 10.7584 k = 0.2845 0.2845 0.2806 ( 3618 PWs) bands (ev): -34.1707 -34.1707 -34.1473 -34.1473 -15.5146 -15.5146 -15.4651 -15.4651 -15.1884 -15.1884 -15.1020 -15.1020 -15.0577 -15.0577 -14.9865 -14.9865 -9.2646 -9.2646 -9.1996 -9.1996 1.5607 1.5607 1.7496 1.7496 1.8680 1.8680 2.3413 2.3413 2.3920 2.3920 2.6018 2.6018 7.7263 7.7263 8.0086 8.0086 9.8824 9.8824 10.2053 10.2053 10.6901 10.6901 k = 0.2759 0.2759 0.2806 ( 3618 PWs) bands (ev): -34.1718 -34.1718 -34.1469 -34.1469 -15.5148 -15.5148 -15.4620 -15.4620 -15.1869 -15.1869 -15.1035 -15.1035 -15.0543 -15.0543 -14.9854 -14.9854 -9.2718 -9.2718 -9.2023 -9.2023 1.5777 1.5777 1.7417 1.7417 1.8936 1.8936 2.3561 2.3561 2.3966 2.3966 2.6171 2.6171 7.7264 7.7264 8.0104 8.0104 9.8639 9.8639 10.2011 10.2011 10.6234 10.6234 k = 0.2672 0.2672 0.2806 ( 3614 PWs) bands (ev): -34.1730 -34.1730 -34.1464 -34.1464 -15.5150 -15.5150 -15.4588 -15.4588 -15.1852 -15.1852 -15.1050 -15.1050 -15.0508 -15.0508 -14.9844 -14.9844 -9.2792 -9.2792 -9.2054 -9.2054 1.5953 1.5953 1.7346 1.7346 1.9205 1.9205 2.3649 2.3649 2.4081 2.4081 2.6318 2.6318 7.7270 7.7270 8.0110 8.0110 9.8462 9.8462 10.1977 10.1977 10.5588 10.5588 k = 0.2586 0.2586 0.2806 ( 3612 PWs) bands (ev): -34.1741 -34.1741 -34.1460 -34.1460 -15.5151 -15.5151 -15.4555 -15.4555 -15.1833 -15.1833 -15.1065 -15.1065 -15.0473 -15.0473 -14.9835 -14.9835 -9.2869 -9.2869 -9.2087 -9.2087 1.6130 1.6130 1.7284 1.7284 1.9483 1.9483 2.3689 2.3689 2.4257 2.4257 2.6459 2.6459 7.7278 7.7278 8.0100 8.0100 9.8291 9.8291 10.1954 10.1954 10.4964 10.4965 k = 0.2500 0.2500 0.2806 ( 3616 PWs) bands (ev): -34.1753 -34.1753 -34.1455 -34.1455 -15.5153 -15.5153 -15.4521 -15.4521 -15.1813 -15.1813 -15.1080 -15.1080 -15.0439 -15.0439 -14.9827 -14.9827 -9.2949 -9.2949 -9.2124 -9.2124 1.6304 1.6304 1.7235 1.7235 1.9767 1.9767 2.3713 2.3713 2.4465 2.4465 2.6593 2.6593 7.7288 7.7288 8.0073 8.0073 9.8127 9.8127 10.1940 10.1940 10.4368 10.4368 k = 0.2414 0.2414 0.2806 ( 3612 PWs) bands (ev): -34.1764 -34.1764 -34.1450 -34.1450 -15.5155 -15.5155 -15.4486 -15.4486 -15.1792 -15.1792 -15.1095 -15.1095 -15.0404 -15.0404 -14.9819 -14.9819 -9.3031 -9.3031 -9.2163 -9.2163 1.6472 1.6472 1.7199 1.7199 2.0057 2.0057 2.3741 2.3741 2.4689 2.4689 2.6719 2.6719 7.7297 7.7297 8.0028 8.0028 9.7971 9.7971 10.1939 10.1939 10.3802 10.3802 k = 0.2328 0.2328 0.2806 ( 3612 PWs) bands (ev): -34.1776 -34.1776 -34.1446 -34.1446 -15.5156 -15.5156 -15.4450 -15.4450 -15.1770 -15.1770 -15.1110 -15.1110 -15.0370 -15.0370 -14.9813 -14.9813 -9.3114 -9.3114 -9.2205 -9.2205 1.6628 1.6628 1.7179 1.7179 2.0352 2.0352 2.3784 2.3784 2.4922 2.4922 2.6836 2.6836 7.7306 7.7306 7.9962 7.9962 9.7821 9.7821 10.1949 10.1949 10.3268 10.3268 k = 0.2241 0.2241 0.2806 ( 3608 PWs) bands (ev): -34.1787 -34.1787 -34.1441 -34.1441 -15.5157 -15.5157 -15.4413 -15.4413 -15.1748 -15.1748 -15.1124 -15.1124 -15.0337 -15.0337 -14.9806 -14.9806 -9.3200 -9.3200 -9.2249 -9.2249 1.6766 1.6766 1.7176 1.7176 2.0650 2.0650 2.3847 2.3847 2.5161 2.5161 2.6943 2.6943 7.7312 7.7312 7.9875 7.9875 9.7677 9.7677 10.1973 10.1973 10.2770 10.2770 k = 0.2155 0.2155 0.2806 ( 3616 PWs) bands (ev): -34.1799 -34.1799 -34.1437 -34.1437 -15.5157 -15.5157 -15.4376 -15.4376 -15.1725 -15.1725 -15.1138 -15.1138 -15.0304 -15.0304 -14.9801 -14.9801 -9.3286 -9.3286 -9.2296 -9.2296 1.6882 1.6882 1.7193 1.7193 2.0952 2.0952 2.3936 2.3936 2.5404 2.5404 2.7040 2.7040 7.7314 7.7314 7.9764 7.9764 9.7540 9.7540 10.2010 10.2010 10.2309 10.2309 k = 0.2069 0.2069 0.2806 ( 3616 PWs) bands (ev): -34.1810 -34.1810 -34.1432 -34.1432 -15.5158 -15.5158 -15.4339 -15.4339 -15.1701 -15.1701 -15.1151 -15.1151 -15.0273 -15.0273 -14.9795 -14.9795 -9.3374 -9.3374 -9.2345 -9.2345 1.6971 1.6971 1.7229 1.7229 2.1254 2.1254 2.4054 2.4054 2.5651 2.5651 2.7127 2.7127 7.7311 7.7311 7.9629 7.9629 9.7411 9.7411 10.1889 10.1889 10.2061 10.2061 k = 0.1983 0.1983 0.2806 ( 3616 PWs) bands (ev): -34.1821 -34.1821 -34.1428 -34.1428 -15.5158 -15.5158 -15.4300 -15.4300 -15.1678 -15.1678 -15.1163 -15.1163 -15.0243 -15.0243 -14.9789 -14.9789 -9.3462 -9.3462 -9.2396 -9.2396 1.7036 1.7036 1.7281 1.7281 2.1558 2.1558 2.4204 2.4204 2.5899 2.5899 2.7202 2.7202 7.7304 7.7304 7.9471 7.9471 9.7290 9.7290 10.1510 10.1510 10.2125 10.2125 k = 0.1897 0.1897 0.2806 ( 3612 PWs) bands (ev): -34.1832 -34.1832 -34.1424 -34.1424 -15.5158 -15.5158 -15.4262 -15.4262 -15.1655 -15.1655 -15.1174 -15.1174 -15.0214 -15.0214 -14.9783 -14.9783 -9.3551 -9.3551 -9.2449 -9.2449 1.7082 1.7082 1.7341 1.7341 2.1861 2.1861 2.4386 2.4386 2.6147 2.6147 2.7266 2.7266 7.7289 7.7289 7.9289 7.9289 9.7176 9.7176 10.1173 10.1173 10.1852 10.1856 k = 0.1810 0.1810 0.2806 ( 3612 PWs) bands (ev): -34.1842 -34.1842 -34.1420 -34.1420 -15.5157 -15.5157 -15.4223 -15.4223 -15.1633 -15.1633 -15.1184 -15.1184 -15.0187 -15.0187 -14.9777 -14.9777 -9.3639 -9.3639 -9.2504 -9.2504 1.7113 1.7113 1.7407 1.7407 2.2163 2.2163 2.4598 2.4598 2.6393 2.6393 2.7320 2.7320 7.7269 7.7269 7.9083 7.9083 9.7071 9.7071 10.0875 10.0875 10.1140 10.1140 k = 0.1724 0.1724 0.2806 ( 3616 PWs) bands (ev): -34.1852 -34.1852 -34.1416 -34.1416 -15.5156 -15.5156 -15.4185 -15.4185 -15.1613 -15.1613 -15.1192 -15.1192 -15.0163 -15.0163 -14.9770 -14.9770 -9.3726 -9.3726 -9.2559 -9.2559 1.7125 1.7125 1.7482 1.7482 2.2462 2.2462 2.4840 2.4840 2.6635 2.6635 2.7365 2.7365 7.7241 7.7241 7.8856 7.8856 9.6975 9.6975 10.0426 10.0426 10.0628 10.0628 k = 0.1638 0.1638 0.2806 ( 3618 PWs) bands (ev): -34.1863 -34.1863 -34.1412 -34.1412 -15.5155 -15.5155 -15.4147 -15.4147 -15.1594 -15.1594 -15.1198 -15.1198 -15.0142 -15.0142 -14.9761 -14.9761 -9.3813 -9.3813 -9.2615 -9.2615 1.7118 1.7118 1.7570 1.7570 2.2757 2.2757 2.5107 2.5107 2.6865 2.6865 2.7408 2.7408 7.7207 7.7207 7.8609 7.8609 9.6888 9.6888 9.9732 9.9732 10.0411 10.0411 k = 0.1552 0.1552 0.2806 ( 3622 PWs) bands (ev): -34.1872 -34.1872 -34.1408 -34.1408 -15.5154 -15.5154 -15.4109 -15.4109 -15.1578 -15.1578 -15.1202 -15.1202 -15.0123 -15.0123 -14.9751 -14.9751 -9.3898 -9.3898 -9.2672 -9.2672 1.7090 1.7090 1.7673 1.7673 2.3046 2.3046 2.5395 2.5395 2.7064 2.7064 2.7466 2.7466 7.7166 7.7166 7.8346 7.8346 9.6810 9.6810 9.9051 9.9051 10.0235 10.0235 k = 0.1466 0.1466 0.2806 ( 3618 PWs) bands (ev): -34.1882 -34.1882 -34.1404 -34.1404 -15.5152 -15.5152 -15.4071 -15.4071 -15.1564 -15.1564 -15.1203 -15.1203 -15.0107 -15.0107 -14.9739 -14.9739 -9.3981 -9.3981 -9.2729 -9.2729 1.7045 1.7045 1.7790 1.7790 2.3330 2.3330 2.5699 2.5699 2.7194 2.7194 2.7579 2.7579 7.7120 7.7120 7.8068 7.8068 9.6741 9.6741 9.8387 9.8387 10.0095 10.0095 k = 0.1379 0.1379 0.2806 ( 3618 PWs) bands (ev): -34.1891 -34.1891 -34.1401 -34.1401 -15.5151 -15.5151 -15.4034 -15.4034 -15.1553 -15.1553 -15.1202 -15.1202 -15.0095 -15.0095 -14.9726 -14.9726 -9.4062 -9.4062 -9.2785 -9.2785 1.6985 1.6985 1.7920 1.7920 2.3605 2.3605 2.6013 2.6013 2.7242 2.7242 2.7759 2.7759 7.7067 7.7067 7.7779 7.7779 9.6680 9.6680 9.7743 9.7743 9.9988 9.9988 k = 0.1293 0.1293 0.2806 ( 3614 PWs) bands (ev): -34.1899 -34.1899 -34.1397 -34.1397 -15.5148 -15.5148 -15.3998 -15.3998 -15.1545 -15.1545 -15.1198 -15.1198 -15.0086 -15.0086 -14.9711 -14.9711 -9.4140 -9.4140 -9.2841 -9.2841 1.6914 1.6914 1.8062 1.8062 2.3872 2.3872 2.6329 2.6329 2.7246 2.7246 2.7971 2.7971 7.7010 7.7010 7.7483 7.7483 9.6627 9.6627 9.7123 9.7123 9.9911 9.9911 k = 0.1207 0.1207 0.2806 ( 3614 PWs) bands (ev): -34.1907 -34.1907 -34.1394 -34.1394 -15.5146 -15.5146 -15.3963 -15.3963 -15.1541 -15.1541 -15.1191 -15.1191 -15.0079 -15.0079 -14.9695 -14.9695 -9.4216 -9.4216 -9.2895 -9.2895 1.6836 1.6836 1.8214 1.8214 2.4128 2.4128 2.6632 2.6632 2.7239 2.7239 2.8192 2.8192 7.6948 7.6948 7.7185 7.7185 9.6517 9.6517 9.6591 9.6591 9.9861 9.9861 k = 0.1121 0.1121 0.2806 ( 3614 PWs) bands (ev): -34.1915 -34.1915 -34.1391 -34.1391 -15.5144 -15.5144 -15.3928 -15.3928 -15.1539 -15.1539 -15.1182 -15.1182 -15.0075 -15.0075 -14.9678 -14.9678 -9.4288 -9.4288 -9.2948 -9.2948 1.6752 1.6752 1.8374 1.8374 2.4372 2.4372 2.6878 2.6878 2.7270 2.7270 2.8412 2.8412 7.6857 7.6857 7.6912 7.6912 9.5957 9.5957 9.6544 9.6544 9.9833 9.9833 k = 0.1034 0.1034 0.2806 ( 3616 PWs) bands (ev): -34.1922 -34.1922 -34.1388 -34.1388 -15.5142 -15.5142 -15.3896 -15.3896 -15.1540 -15.1540 -15.1172 -15.1172 -15.0074 -15.0074 -14.9660 -14.9660 -9.4356 -9.4356 -9.2999 -9.2999 1.6667 1.6667 1.8541 1.8541 2.4602 2.4602 2.6966 2.6966 2.7439 2.7439 2.8628 2.8628 7.6583 7.6583 7.6826 7.6826 9.5420 9.5420 9.6508 9.6508 9.9825 9.9825 k = 0.0948 0.0948 0.2806 ( 3612 PWs) bands (ev): -34.1929 -34.1929 -34.1386 -34.1386 -15.5139 -15.5139 -15.3864 -15.3864 -15.1542 -15.1542 -15.1160 -15.1160 -15.0074 -15.0074 -14.9642 -14.9642 -9.4420 -9.4420 -9.3048 -9.3048 1.6581 1.6581 1.8711 1.8711 2.4818 2.4818 2.6940 2.6940 2.7700 2.7700 2.8838 2.8838 7.6297 7.6297 7.6759 7.6759 9.4916 9.4916 9.6476 9.6476 9.9833 9.9833 k = 0.0862 0.0862 0.2806 ( 3616 PWs) bands (ev): -34.1935 -34.1935 -34.1383 -34.1383 -15.5137 -15.5137 -15.3835 -15.3835 -15.1547 -15.1547 -15.1148 -15.1148 -15.0076 -15.0076 -14.9624 -14.9624 -9.4480 -9.4480 -9.3094 -9.3094 1.6497 1.6497 1.8884 1.8884 2.5016 2.5016 2.6881 2.6881 2.7972 2.7972 2.9040 2.9040 7.6022 7.6022 7.6694 7.6694 9.4448 9.4448 9.6446 9.6446 9.9853 9.9853 k = 0.0776 0.0776 0.2806 ( 3616 PWs) bands (ev): -34.1941 -34.1941 -34.1381 -34.1381 -15.5135 -15.5135 -15.3808 -15.3808 -15.1552 -15.1552 -15.1135 -15.1135 -15.0078 -15.0078 -14.9607 -14.9607 -9.4535 -9.4535 -9.3136 -9.3136 1.6417 1.6417 1.9055 1.9055 2.5195 2.5195 2.6810 2.6810 2.8232 2.8232 2.9234 2.9234 7.5761 7.5761 7.6631 7.6631 9.4017 9.4017 9.6415 9.6415 9.9883 9.9883 k = 0.0690 0.0690 0.2806 ( 3620 PWs) bands (ev): -34.1946 -34.1946 -34.1379 -34.1379 -15.5133 -15.5133 -15.3783 -15.3783 -15.1558 -15.1558 -15.1122 -15.1122 -15.0082 -15.0082 -14.9590 -14.9590 -9.4584 -9.4584 -9.3176 -9.3176 1.6341 1.6341 1.9223 1.9223 2.5352 2.5352 2.6738 2.6738 2.8471 2.8471 2.9417 2.9417 7.5519 7.5519 7.6571 7.6571 9.3626 9.3626 9.6385 9.6385 9.9917 9.9917 k = 0.0603 0.0603 0.2806 ( 3616 PWs) bands (ev): -34.1951 -34.1951 -34.1377 -34.1377 -15.5131 -15.5131 -15.3760 -15.3760 -15.1563 -15.1563 -15.1110 -15.1110 -15.0085 -15.0085 -14.9575 -14.9575 -9.4629 -9.4629 -9.3211 -9.3211 1.6272 1.6272 1.9383 1.9383 2.5485 2.5485 2.6670 2.6670 2.8685 2.8685 2.9587 2.9587 7.5297 7.5297 7.6515 7.6515 9.3275 9.3275 9.6354 9.6354 9.9955 9.9955 k = 0.0517 0.0517 0.2806 ( 3604 PWs) bands (ev): -34.1955 -34.1955 -34.1375 -34.1375 -15.5129 -15.5129 -15.3739 -15.3739 -15.1569 -15.1569 -15.1099 -15.1099 -15.0089 -15.0089 -14.9561 -14.9561 -9.4668 -9.4668 -9.3242 -9.3242 1.6210 1.6210 1.9533 1.9533 2.5591 2.5591 2.6611 2.6611 2.8871 2.8871 2.9744 2.9744 7.5100 7.5100 7.6465 7.6465 9.2969 9.2969 9.6322 9.6322 9.9992 9.9992 k = 0.0431 0.0431 0.2806 ( 3596 PWs) bands (ev): -34.1958 -34.1958 -34.1374 -34.1374 -15.5127 -15.5127 -15.3721 -15.3721 -15.1574 -15.1574 -15.1089 -15.1089 -15.0092 -15.0092 -14.9549 -14.9549 -9.4702 -9.4702 -9.3269 -9.3269 1.6156 1.6156 1.9668 1.9668 2.5668 2.5668 2.6568 2.6568 2.9029 2.9029 2.9883 2.9883 7.4929 7.4929 7.6421 7.6421 9.2707 9.2707 9.6291 9.6291 10.0026 10.0034 k = 0.0345 0.0345 0.2806 ( 3596 PWs) bands (ev): -34.1961 -34.1961 -34.1373 -34.1373 -15.5126 -15.5126 -15.3706 -15.3706 -15.1579 -15.1579 -15.1080 -15.1080 -15.0095 -15.0095 -14.9539 -14.9539 -9.4729 -9.4729 -9.3292 -9.3292 1.6111 1.6111 1.9786 1.9786 2.5717 2.5717 2.6541 2.6541 2.9157 2.9157 3.0002 3.0002 7.4786 7.4786 7.6384 7.6384 9.2490 9.2490 9.6263 9.6263 10.0053 10.0058 k = 0.0259 0.0259 0.2806 ( 3600 PWs) bands (ev): -34.1963 -34.1963 -34.1372 -34.1372 -15.5125 -15.5125 -15.3695 -15.3695 -15.1583 -15.1583 -15.1074 -15.1074 -15.0098 -15.0098 -14.9531 -14.9531 -9.4751 -9.4751 -9.3309 -9.3309 1.6075 1.6075 1.9882 1.9882 2.5743 2.5743 2.6529 2.6529 2.9256 2.9256 3.0098 3.0098 7.4673 7.4673 7.6354 7.6354 9.2321 9.2321 9.6238 9.6238 10.0071 10.0077 k = 0.0172 0.0172 0.2806 ( 3596 PWs) bands (ev): -34.1964 -34.1964 -34.1372 -34.1372 -15.5124 -15.5124 -15.3686 -15.3686 -15.1586 -15.1586 -15.1069 -15.1069 -15.0100 -15.0100 -14.9525 -14.9525 -9.4767 -9.4767 -9.3322 -9.3322 1.6050 1.6050 1.9953 1.9953 2.5752 2.5752 2.6527 2.6527 2.9326 2.9326 3.0168 3.0168 7.4591 7.4591 7.6332 7.6332 9.2199 9.2199 9.6219 9.6219 10.0078 10.0079 k = 0.0086 0.0086 0.2806 ( 3604 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5124 -15.5124 -15.3681 -15.3681 -15.1588 -15.1588 -15.1067 -15.1067 -15.0101 -15.0101 -14.9522 -14.9522 -9.4776 -9.4776 -9.3330 -9.3330 1.6034 1.6034 1.9997 1.9997 2.5754 2.5754 2.6528 2.6528 2.9368 2.9368 3.0212 3.0212 7.4542 7.4542 7.6319 7.6319 9.2126 9.2126 9.6206 9.6206 10.0079 10.0081 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -34.1965 -34.1965 -34.1371 -34.1371 -15.5124 -15.5124 -15.3679 -15.3679 -15.1589 -15.1589 -15.1066 -15.1066 -15.0101 -15.0101 -14.9520 -14.9520 -9.4779 -9.4779 -9.3332 -9.3332 1.6029 1.6029 2.0012 2.0012 2.5753 2.5753 2.6529 2.6529 2.9382 2.9382 3.0226 3.0226 7.4525 7.4525 7.6315 7.6315 9.2102 9.2102 9.6202 9.6202 10.0078 10.0080 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5074 -15.5074 -15.5074 -15.5074 -15.1369 -15.1369 -15.1369 -15.1369 -15.0074 -15.0074 -15.0074 -15.0074 -9.2151 -9.2151 -9.2151 -9.2151 1.3346 1.3346 1.3346 1.3346 2.3743 2.3743 2.3743 2.3743 2.6976 2.6976 2.6976 2.6976 7.8889 7.8889 7.8889 7.8889 9.8058 9.8058 9.8058 9.8058 9.9295 9.9295 k = 0.0000 0.5000 0.0122 ( 3622 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5074 -15.5074 -15.5074 -15.5074 -15.1369 -15.1369 -15.1369 -15.1369 -15.0074 -15.0074 -15.0074 -15.0074 -9.2151 -9.2151 -9.2151 -9.2151 1.3337 1.3337 1.3337 1.3337 2.3752 2.3752 2.3752 2.3752 2.6976 2.6976 2.6976 2.6976 7.8878 7.8878 7.8878 7.8878 9.8090 9.8090 9.8090 9.8090 9.9302 9.9302 k = 0.0000 0.5000 0.0244 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5074 -15.5074 -15.5074 -15.5074 -15.1369 -15.1369 -15.1369 -15.1369 -15.0074 -15.0074 -15.0074 -15.0074 -9.2150 -9.2150 -9.2150 -9.2150 1.3311 1.3311 1.3311 1.3311 2.3778 2.3778 2.3778 2.3778 2.6976 2.6976 2.6976 2.6976 7.8842 7.8842 7.8842 7.8842 9.8183 9.8183 9.8183 9.8183 9.9324 9.9324 k = 0.0000 0.5000 0.0366 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5075 -15.5075 -15.5075 -15.5075 -15.1369 -15.1369 -15.1369 -15.1369 -15.0073 -15.0073 -15.0073 -15.0073 -9.2149 -9.2149 -9.2149 -9.2149 1.3268 1.3268 1.3268 1.3268 2.3821 2.3821 2.3821 2.3821 2.6975 2.6975 2.6975 2.6975 7.8785 7.8785 7.8785 7.8785 9.8336 9.8336 9.8336 9.8336 9.9360 9.9360 k = 0.0000 0.5000 0.0488 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5075 -15.5075 -15.5075 -15.5075 -15.1369 -15.1369 -15.1369 -15.1369 -15.0073 -15.0073 -15.0073 -15.0073 -9.2147 -9.2147 -9.2147 -9.2147 1.3209 1.3209 1.3209 1.3209 2.3878 2.3878 2.3878 2.3878 2.6975 2.6975 2.6975 2.6975 7.8708 7.8708 7.8708 7.8708 9.8544 9.8544 9.8544 9.8544 9.9410 9.9410 k = 0.0000 0.5000 0.0610 ( 3632 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5076 -15.5076 -15.5076 -15.5076 -15.1369 -15.1369 -15.1369 -15.1369 -15.0072 -15.0072 -15.0072 -15.0072 -9.2145 -9.2145 -9.2145 -9.2145 1.3137 1.3137 1.3137 1.3137 2.3949 2.3949 2.3949 2.3949 2.6974 2.6974 2.6974 2.6974 7.8613 7.8613 7.8613 7.8613 9.8801 9.8801 9.8801 9.8801 9.9473 9.9473 k = 0.0000 0.5000 0.0732 ( 3632 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5077 -15.5077 -15.5077 -15.5077 -15.1370 -15.1370 -15.1370 -15.1370 -15.0072 -15.0072 -15.0072 -15.0072 -9.2142 -9.2142 -9.2142 -9.2142 1.3053 1.3053 1.3053 1.3053 2.4033 2.4033 2.4033 2.4033 2.6973 2.6973 2.6973 2.6973 7.8503 7.8503 7.8503 7.8503 9.9100 9.9100 9.9100 9.9100 9.9549 9.9549 k = 0.0000 0.5000 0.0854 ( 3626 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5077 -15.5077 -15.5077 -15.5077 -15.1370 -15.1370 -15.1370 -15.1370 -15.0071 -15.0071 -15.0071 -15.0071 -9.2139 -9.2139 -9.2139 -9.2139 1.2959 1.2959 1.2959 1.2959 2.4125 2.4125 2.4125 2.4125 2.6972 2.6972 2.6972 2.6972 7.8382 7.8382 7.8382 7.8382 9.9429 9.9429 9.9429 9.9429 9.9639 9.9639 k = 0.0000 0.5000 0.0976 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5078 -15.5078 -15.5078 -15.5078 -15.1370 -15.1370 -15.1370 -15.1370 -15.0070 -15.0070 -15.0070 -15.0070 -9.2135 -9.2135 -9.2135 -9.2135 1.2857 1.2857 1.2857 1.2857 2.4226 2.4226 2.4226 2.4226 2.6971 2.6971 2.6971 2.6971 7.8252 7.8252 7.8252 7.8252 9.9709 9.9709 9.9709 9.9712 9.9812 9.9812 k = 0.0000 0.5000 0.1098 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5079 -15.5079 -15.5079 -15.5079 -15.1370 -15.1370 -15.1370 -15.1370 -15.0069 -15.0069 -15.0069 -15.0069 -9.2132 -9.2132 -9.2132 -9.2132 1.2749 1.2749 1.2749 1.2749 2.4331 2.4331 2.4331 2.4331 2.6971 2.6971 2.6971 2.6971 7.8118 7.8118 7.8118 7.8118 9.9827 9.9827 9.9827 9.9828 10.0167 10.0167 k = 0.0000 0.5000 0.1220 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5080 -15.5080 -15.5080 -15.5080 -15.1371 -15.1371 -15.1371 -15.1371 -15.0068 -15.0068 -15.0068 -15.0068 -9.2128 -9.2128 -9.2128 -9.2128 1.2638 1.2638 1.2638 1.2638 2.4440 2.4440 2.4440 2.4440 2.6970 2.6970 2.6970 2.6970 7.7981 7.7981 7.7981 7.7981 9.9941 9.9941 9.9941 9.9941 10.0534 10.0534 k = 0.0000 0.5000 0.1342 ( 3636 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5082 -15.5082 -15.5082 -15.5082 -15.1371 -15.1371 -15.1371 -15.1371 -15.0068 -15.0068 -15.0068 -15.0068 -9.2124 -9.2124 -9.2124 -9.2124 1.2527 1.2527 1.2527 1.2527 2.4549 2.4549 2.4549 2.4549 2.6969 2.6969 2.6969 2.6969 7.7844 7.7844 7.7844 7.7844 10.0058 10.0058 10.0058 10.0058 10.0890 10.0890 k = 0.0000 0.5000 0.1464 ( 3644 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5083 -15.5083 -15.5083 -15.5083 -15.1372 -15.1372 -15.1372 -15.1372 -15.0067 -15.0067 -15.0067 -15.0067 -9.2120 -9.2120 -9.2120 -9.2120 1.2416 1.2416 1.2416 1.2416 2.4656 2.4656 2.4656 2.4656 2.6969 2.6969 2.6969 2.6969 7.7711 7.7711 7.7711 7.7711 10.0177 10.0177 10.0177 10.0177 10.1223 10.1223 k = 0.0000 0.5000 0.1586 ( 3640 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5084 -15.5084 -15.5084 -15.5084 -15.1372 -15.1372 -15.1372 -15.1372 -15.0066 -15.0066 -15.0066 -15.0066 -9.2116 -9.2116 -9.2116 -9.2116 1.2308 1.2308 1.2308 1.2308 2.4761 2.4761 2.4761 2.4761 2.6969 2.6969 2.6969 2.6969 7.7584 7.7584 7.7584 7.7584 10.0298 10.0298 10.0298 10.0298 10.1525 10.1525 k = 0.0000 0.5000 0.1708 ( 3636 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5085 -15.5085 -15.5085 -15.5085 -15.1372 -15.1372 -15.1372 -15.1372 -15.0065 -15.0065 -15.0065 -15.0065 -9.2112 -9.2112 -9.2112 -9.2112 1.2205 1.2205 1.2205 1.2205 2.4861 2.4861 2.4861 2.4861 2.6969 2.6969 2.6969 2.6969 7.7463 7.7463 7.7463 7.7463 10.0418 10.0418 10.0418 10.0418 10.1789 10.1789 k = 0.0000 0.5000 0.1830 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5086 -15.5086 -15.5086 -15.5086 -15.1372 -15.1372 -15.1372 -15.1372 -15.0064 -15.0064 -15.0064 -15.0064 -9.2108 -9.2108 -9.2108 -9.2108 1.2109 1.2109 1.2109 1.2109 2.4954 2.4954 2.4954 2.4954 2.6970 2.6970 2.6970 2.6970 7.7352 7.7352 7.7352 7.7352 10.0534 10.0534 10.0534 10.0534 10.2013 10.2013 k = 0.0000 0.5000 0.1952 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5087 -15.5087 -15.5087 -15.5087 -15.1372 -15.1372 -15.1372 -15.1372 -15.0063 -15.0063 -15.0063 -15.0063 -9.2105 -9.2105 -9.2105 -9.2105 1.2020 1.2020 1.2020 1.2020 2.5039 2.5039 2.5039 2.5039 2.6971 2.6971 2.6971 2.6971 7.7250 7.7250 7.7250 7.7250 10.0644 10.0644 10.0644 10.0644 10.2197 10.2197 k = 0.0000 0.5000 0.2074 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5087 -15.5087 -15.5087 -15.5087 -15.1372 -15.1372 -15.1372 -15.1372 -15.0062 -15.0062 -15.0062 -15.0062 -9.2102 -9.2102 -9.2102 -9.2102 1.1941 1.1941 1.1941 1.1941 2.5115 2.5115 2.5115 2.5115 2.6971 2.6971 2.6971 2.6971 7.7160 7.7160 7.7160 7.7160 10.0745 10.0745 10.0745 10.0745 10.2344 10.2344 k = 0.0000 0.5000 0.2196 ( 3632 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5088 -15.5088 -15.5088 -15.5088 -15.1373 -15.1373 -15.1373 -15.1373 -15.0062 -15.0062 -15.0062 -15.0062 -9.2099 -9.2099 -9.2099 -9.2099 1.1872 1.1872 1.1872 1.1872 2.5181 2.5181 2.5181 2.5181 2.6972 2.6972 2.6972 2.6972 7.7083 7.7083 7.7083 7.7083 10.0835 10.0835 10.0835 10.0835 10.2459 10.2459 k = 0.0000 0.5000 0.2318 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5089 -15.5089 -15.5089 -15.5089 -15.1373 -15.1373 -15.1373 -15.1373 -15.0061 -15.0061 -15.0061 -15.0061 -9.2097 -9.2097 -9.2097 -9.2097 1.1814 1.1814 1.1814 1.1814 2.5235 2.5235 2.5236 2.5236 2.6973 2.6973 2.6973 2.6973 7.7019 7.7019 7.7019 7.7019 10.0912 10.0912 10.0912 10.0912 10.2546 10.2546 k = 0.0000 0.5000 0.2440 ( 3628 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0061 -15.0061 -15.0061 -15.0061 -9.2095 -9.2095 -9.2095 -9.2095 1.1769 1.1769 1.1769 1.1769 2.5279 2.5279 2.5279 2.5279 2.6974 2.6974 2.6974 2.6974 7.6968 7.6968 7.6968 7.6968 10.0975 10.0975 10.0975 10.0975 10.2609 10.2609 k = 0.0000 0.5000 0.2562 ( 3624 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0060 -15.0060 -15.0060 -15.0060 -9.2094 -9.2094 -9.2094 -9.2094 1.1735 1.1735 1.1735 1.1735 2.5310 2.5310 2.5310 2.5310 2.6975 2.6975 2.6975 2.6975 7.6932 7.6932 7.6932 7.6932 10.1021 10.1021 10.1021 10.1021 10.2652 10.2652 k = 0.0000 0.5000 0.2684 ( 3632 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0060 -15.0060 -15.0060 -15.0060 -9.2093 -9.2093 -9.2093 -9.2093 1.1715 1.1715 1.1715 1.1715 2.5329 2.5329 2.5329 2.5329 2.6975 2.6975 2.6975 2.6975 7.6909 7.6909 7.6909 7.6909 10.1048 10.1048 10.1049 10.1049 10.2677 10.2677 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -34.1603 -34.1603 -34.1603 -34.1603 -15.5090 -15.5090 -15.5090 -15.5090 -15.1373 -15.1373 -15.1373 -15.1373 -15.0060 -15.0060 -15.0060 -15.0060 -9.2093 -9.2093 -9.2093 -9.2093 1.1709 1.1709 1.1709 1.1709 2.5335 2.5335 2.5335 2.5335 2.6976 2.6976 2.6976 2.6976 7.6902 7.6902 7.6902 7.6902 10.1058 10.1058 10.1058 10.1058 10.2684 10.2684 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5069 -15.5069 -15.5069 -15.5069 -15.1585 -15.1585 -15.1585 -15.1585 -15.0372 -15.0372 -15.0372 -15.0372 -9.1941 -9.1941 -9.1941 -9.1941 1.5314 1.5314 1.5314 1.5314 2.0398 2.0398 2.0398 2.0398 2.3702 2.3702 2.3702 2.3702 7.7781 7.7781 7.7781 7.7781 9.3690 9.3690 9.3690 9.3690 11.3872 11.3872 k = 0.5000 0.5000 0.0122 ( 3584 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5069 -15.5069 -15.5069 -15.5069 -15.1585 -15.1585 -15.1585 -15.1585 -15.0373 -15.0373 -15.0373 -15.0373 -9.1941 -9.1941 -9.1941 -9.1941 1.5313 1.5313 1.5313 1.5313 2.0400 2.0400 2.0400 2.0400 2.3698 2.3698 2.3698 2.3698 7.7786 7.7786 7.7786 7.7786 9.3722 9.3722 9.3722 9.3722 11.3870 11.3870 k = 0.5000 0.5000 0.0244 ( 3596 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5069 -15.5069 -15.5069 -15.5069 -15.1585 -15.1585 -15.1585 -15.1585 -15.0373 -15.0373 -15.0373 -15.0373 -9.1940 -9.1940 -9.1940 -9.1940 1.5308 1.5308 1.5308 1.5308 2.0404 2.0404 2.0404 2.0404 2.3683 2.3683 2.3683 2.3683 7.7802 7.7802 7.7802 7.7802 9.3816 9.3816 9.3816 9.3816 11.3862 11.3862 k = 0.5000 0.5000 0.0366 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1586 -15.1586 -15.1586 -15.1586 -15.0374 -15.0374 -15.0374 -15.0374 -9.1939 -9.1939 -9.1939 -9.1939 1.5300 1.5300 1.5300 1.5300 2.0410 2.0410 2.0410 2.0410 2.3660 2.3660 2.3660 2.3660 7.7829 7.7829 7.7829 7.7829 9.3973 9.3973 9.3973 9.3973 11.3851 11.3851 k = 0.5000 0.5000 0.0488 ( 3608 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1586 -15.1586 -15.1586 -15.1586 -15.0374 -15.0374 -15.0374 -15.0374 -9.1937 -9.1937 -9.1937 -9.1937 1.5290 1.5290 1.5290 1.5290 2.0419 2.0419 2.0419 2.0419 2.3628 2.3628 2.3628 2.3628 7.7866 7.7866 7.7866 7.7866 9.4191 9.4191 9.4191 9.4191 11.3836 11.3836 k = 0.5000 0.5000 0.0610 ( 3608 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1586 -15.1586 -15.1586 -15.1586 -15.0374 -15.0374 -15.0374 -15.0374 -9.1935 -9.1935 -9.1935 -9.1935 1.5277 1.5277 1.5277 1.5277 2.0429 2.0429 2.0429 2.0429 2.3588 2.3588 2.3588 2.3588 7.7913 7.7913 7.7913 7.7913 9.4469 9.4469 9.4469 9.4469 11.3815 11.3815 k = 0.5000 0.5000 0.0732 ( 3608 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1586 -15.1586 -15.1586 -15.1586 -15.0374 -15.0374 -15.0374 -15.0374 -9.1932 -9.1932 -9.1932 -9.1932 1.5261 1.5261 1.5261 1.5261 2.0442 2.0442 2.0442 2.0442 2.3541 2.3541 2.3541 2.3541 7.7968 7.7968 7.7968 7.7968 9.4803 9.4803 9.4803 9.4803 11.3788 11.3788 k = 0.5000 0.5000 0.0854 ( 3612 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0375 -15.0375 -15.0375 -15.0375 -9.1929 -9.1929 -9.1929 -9.1929 1.5244 1.5244 1.5244 1.5244 2.0456 2.0456 2.0456 2.0456 2.3488 2.3488 2.3488 2.3488 7.8032 7.8032 7.8032 7.8032 9.5192 9.5192 9.5192 9.5192 11.3754 11.3754 k = 0.5000 0.5000 0.0976 ( 3604 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0375 -15.0375 -15.0375 -15.0375 -9.1925 -9.1925 -9.1925 -9.1925 1.5225 1.5225 1.5225 1.5225 2.0472 2.0472 2.0472 2.0472 2.3430 2.3430 2.3430 2.3430 7.8102 7.8102 7.8102 7.8102 9.5632 9.5632 9.5632 9.5632 11.3713 11.3713 k = 0.5000 0.5000 0.1098 ( 3612 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0375 -15.0375 -15.0375 -15.0375 -9.1921 -9.1921 -9.1921 -9.1921 1.5205 1.5205 1.5205 1.5205 2.0489 2.0489 2.0489 2.0489 2.3367 2.3367 2.3367 2.3367 7.8178 7.8178 7.8178 7.8178 9.6119 9.6119 9.6119 9.6119 11.3661 11.3661 k = 0.5000 0.5000 0.1220 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0376 -15.0376 -15.0376 -15.0376 -9.1918 -9.1918 -9.1918 -9.1918 1.5184 1.5184 1.5184 1.5184 2.0506 2.0506 2.0506 2.0506 2.3302 2.3302 2.3302 2.3302 7.8258 7.8258 7.8258 7.8258 9.6647 9.6647 9.6647 9.6647 11.3599 11.3599 k = 0.5000 0.5000 0.1342 ( 3608 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0376 -15.0376 -15.0376 -15.0376 -9.1913 -9.1913 -9.1913 -9.1913 1.5162 1.5162 1.5162 1.5162 2.0524 2.0524 2.0524 2.0524 2.3235 2.3235 2.3235 2.3235 7.8341 7.8341 7.8341 7.8341 9.7214 9.7214 9.7214 9.7214 11.3525 11.3525 k = 0.5000 0.5000 0.1464 ( 3600 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0376 -15.0376 -15.0376 -15.0376 -9.1909 -9.1909 -9.1909 -9.1909 1.5140 1.5140 1.5140 1.5140 2.0541 2.0541 2.0541 2.0541 2.3168 2.3168 2.3168 2.3168 7.8425 7.8425 7.8425 7.8425 9.7811 9.7811 9.7811 9.7811 11.3436 11.3436 k = 0.5000 0.5000 0.1586 ( 3600 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1587 -15.1587 -15.1587 -15.1587 -15.0377 -15.0377 -15.0377 -15.0377 -9.1905 -9.1905 -9.1905 -9.1905 1.5119 1.5119 1.5119 1.5119 2.0558 2.0558 2.0558 2.0558 2.3102 2.3102 2.3102 2.3102 7.8509 7.8509 7.8509 7.8509 9.8432 9.8432 9.8432 9.8432 11.3330 11.3330 k = 0.5000 0.5000 0.1708 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1588 -15.1588 -15.1588 -15.1588 -15.0377 -15.0377 -15.0377 -15.0377 -9.1901 -9.1901 -9.1901 -9.1901 1.5099 1.5099 1.5099 1.5099 2.0575 2.0575 2.0575 2.0575 2.3038 2.3038 2.3038 2.3038 7.8591 7.8591 7.8591 7.8591 9.9068 9.9068 9.9068 9.9068 11.3206 11.3206 k = 0.5000 0.5000 0.1830 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1588 -15.1588 -15.1588 -15.1588 -15.0378 -15.0378 -15.0378 -15.0378 -9.1898 -9.1898 -9.1898 -9.1898 1.5079 1.5079 1.5079 1.5079 2.0590 2.0590 2.0590 2.0590 2.2977 2.2977 2.2977 2.2977 7.8670 7.8670 7.8670 7.8670 9.9710 9.9710 9.9710 9.9710 11.3063 11.3063 k = 0.5000 0.5000 0.1952 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0378 -15.0378 -15.0378 -15.0378 -9.1894 -9.1894 -9.1894 -9.1894 1.5061 1.5061 1.5061 1.5061 2.0605 2.0605 2.0605 2.0605 2.2921 2.2921 2.2921 2.2921 7.8744 7.8744 7.8744 7.8744 10.0347 10.0347 10.0347 10.0347 11.2902 11.2902 k = 0.5000 0.5000 0.2074 ( 3616 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0378 -15.0378 -15.0378 -15.0378 -9.1891 -9.1891 -9.1891 -9.1891 1.5045 1.5045 1.5045 1.5045 2.0617 2.0617 2.0617 2.0617 2.2870 2.2870 2.2870 2.2870 7.8812 7.8812 7.8812 7.8812 10.0964 10.0964 10.0964 10.0964 11.2725 11.2725 k = 0.5000 0.5000 0.2196 ( 3624 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1888 -9.1888 -9.1888 -9.1888 1.5031 1.5031 1.5031 1.5031 2.0629 2.0629 2.0629 2.0629 2.2826 2.2826 2.2826 2.2826 7.8871 7.8871 7.8871 7.8871 10.1545 10.1545 10.1545 10.1545 11.2536 11.2536 k = 0.5000 0.5000 0.2318 ( 3624 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1886 -9.1886 -9.1886 -9.1886 1.5019 1.5019 1.5019 1.5019 2.0638 2.0638 2.0638 2.0638 2.2788 2.2788 2.2788 2.2788 7.8922 7.8922 7.8922 7.8922 10.2071 10.2071 10.2071 10.2071 11.2346 11.2346 k = 0.5000 0.5000 0.2440 ( 3632 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5071 -15.5071 -15.5071 -15.5071 -15.1590 -15.1590 -15.1590 -15.1590 -15.0379 -15.0379 -15.0379 -15.0379 -9.1884 -9.1884 -9.1884 -9.1884 1.5009 1.5009 1.5009 1.5009 2.0645 2.0645 2.0645 2.0645 2.2758 2.2758 2.2758 2.2758 7.8962 7.8962 7.8962 7.8962 10.2519 10.2519 10.2519 10.2519 11.2168 11.2168 k = 0.5000 0.5000 0.2562 ( 3624 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1590 -15.1590 -15.1590 -15.1590 -15.0379 -15.0379 -15.0379 -15.0379 -9.1883 -9.1883 -9.1883 -9.1883 1.5002 1.5002 1.5002 1.5002 2.0651 2.0651 2.0651 2.0651 2.2737 2.2737 2.2737 2.2737 7.8992 7.8992 7.8992 7.8992 10.2863 10.2863 10.2863 10.2863 11.2021 11.2021 k = 0.5000 0.5000 0.2684 ( 3612 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1882 -9.1882 -9.1882 -9.1882 1.4998 1.4998 1.4998 1.4998 2.0654 2.0654 2.0654 2.0654 2.2724 2.2724 2.2724 2.2724 7.9010 7.9010 7.9010 7.9010 10.3082 10.3082 10.3082 10.3082 11.1923 11.1923 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -34.1540 -34.1540 -34.1540 -34.1540 -15.5070 -15.5070 -15.5070 -15.5070 -15.1589 -15.1589 -15.1589 -15.1589 -15.0379 -15.0379 -15.0379 -15.0379 -9.1881 -9.1881 -9.1881 -9.1881 1.4997 1.4997 1.4997 1.4997 2.0655 2.0655 2.0655 2.0655 2.2719 2.2719 2.2719 2.2719 7.9016 7.9016 7.9016 7.9016 10.3157 10.3157 10.3157 10.3157 11.1889 11.1889 Writing output data file CaCl.save init_run : 0.39s CPU 0.75s WALL ( 1 calls) electrons : 253.86s CPU 259.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 253.85s CPU 259.64s 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 : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 358 calls) cegterg : 245.48s CPU 249.44s WALL ( 1388 calls) Called by sum_band: Called by *egterg: h_psi : 88.14s CPU 90.32s WALL ( 26539 calls) s_psi : 8.21s CPU 8.55s WALL ( 26539 calls) g_psi : 0.30s CPU 0.35s WALL ( 24793 calls) cdiaghg : 129.24s CPU 130.58s WALL ( 25151 calls) cegterg:over : 8.50s CPU 8.41s WALL ( 24793 calls) cegterg:upda : 7.84s CPU 8.02s WALL ( 24793 calls) cegterg:last : 3.12s CPU 3.23s WALL ( 2636 calls) cdiaghg:chol : 6.85s CPU 6.86s WALL ( 25151 calls) cdiaghg:inve : 4.00s CPU 4.17s WALL ( 25151 calls) cdiaghg:para : 7.63s CPU 7.11s WALL ( 50302 calls) Called by h_psi: h_psi:vloc : 69.54s CPU 71.60s WALL ( 26539 calls) h_psi:vnl : 18.24s CPU 18.41s WALL ( 26539 calls) add_vuspsi : 9.82s CPU 9.73s WALL ( 26539 calls) General routines calbec : 8.33s CPU 8.61s WALL ( 26539 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.70s CPU 66.77s WALL ( 1321056 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.17s WALL ( 716 calls) Parallel routines fft_scatter : 32.78s CPU 34.19s WALL ( 1321079 calls) PWSCF : 4m27.74s CPU 4m56.04s WALL This run was terminated on: 16:39:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=