Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34:45 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: ./CaHCl.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 = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 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 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Ca 10.00 40.07800 Ca( 1.00) Cl 7.00 35.45300 Cl( 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 0.14 Mb ( 204, 44) NL pseudopotentials 0.22 Mb ( 102, 140) 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 0.55 Mb ( 204, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.19 Mb ( 140, 2, 44) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaHCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.2 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.9 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.0 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.6 secs Computing kpt #: 31 total cpu time spent up to now is 19.1 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.7 secs Computing kpt #: 36 total cpu time spent up to now is 22.5 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.3 secs Computing kpt #: 39 total cpu time spent up to now is 25.0 secs Computing kpt #: 40 total cpu time spent up to now is 25.7 secs Computing kpt #: 41 total cpu time spent up to now is 26.4 secs Computing kpt #: 42 total cpu time spent up to now is 27.0 secs Computing kpt #: 43 total cpu time spent up to now is 27.7 secs Computing kpt #: 44 total cpu time spent up to now is 28.4 secs Computing kpt #: 45 total cpu time spent up to now is 29.0 secs Computing kpt #: 46 total cpu time spent up to now is 29.6 secs Computing kpt #: 47 total cpu time spent up to now is 30.1 secs Computing kpt #: 48 total cpu time spent up to now is 30.7 secs Computing kpt #: 49 total cpu time spent up to now is 31.2 secs Computing kpt #: 50 total cpu time spent up to now is 31.7 secs Computing kpt #: 51 total cpu time spent up to now is 32.2 secs Computing kpt #: 52 total cpu time spent up to now is 32.7 secs Computing kpt #: 53 total cpu time spent up to now is 33.2 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.2 secs Computing kpt #: 56 total cpu time spent up to now is 34.7 secs Computing kpt #: 57 total cpu time spent up to now is 35.1 secs Computing kpt #: 58 total cpu time spent up to now is 35.6 secs Computing kpt #: 59 total cpu time spent up to now is 36.1 secs Computing kpt #: 60 total cpu time spent up to now is 36.6 secs Computing kpt #: 61 total cpu time spent up to now is 37.1 secs Computing kpt #: 62 total cpu time spent up to now is 37.6 secs Computing kpt #: 63 total cpu time spent up to now is 38.1 secs Computing kpt #: 64 total cpu time spent up to now is 38.6 secs Computing kpt #: 65 total cpu time spent up to now is 39.1 secs Computing kpt #: 66 total cpu time spent up to now is 39.6 secs Computing kpt #: 67 total cpu time spent up to now is 40.1 secs Computing kpt #: 68 total cpu time spent up to now is 40.6 secs Computing kpt #: 69 total cpu time spent up to now is 41.1 secs Computing kpt #: 70 total cpu time spent up to now is 41.6 secs Computing kpt #: 71 total cpu time spent up to now is 42.2 secs Computing kpt #: 72 total cpu time spent up to now is 42.7 secs Computing kpt #: 73 total cpu time spent up to now is 43.2 secs Computing kpt #: 74 total cpu time spent up to now is 43.7 secs Computing kpt #: 75 total cpu time spent up to now is 44.3 secs Computing kpt #: 76 total cpu time spent up to now is 44.9 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 46.0 secs Computing kpt #: 79 total cpu time spent up to now is 46.6 secs Computing kpt #: 80 total cpu time spent up to now is 47.1 secs Computing kpt #: 81 total cpu time spent up to now is 47.7 secs Computing kpt #: 82 total cpu time spent up to now is 48.3 secs Computing kpt #: 83 total cpu time spent up to now is 48.8 secs Computing kpt #: 84 total cpu time spent up to now is 49.4 secs Computing kpt #: 85 total cpu time spent up to now is 49.9 secs Computing kpt #: 86 total cpu time spent up to now is 50.5 secs Computing kpt #: 87 total cpu time spent up to now is 51.0 secs Computing kpt #: 88 total cpu time spent up to now is 51.6 secs Computing kpt #: 89 total cpu time spent up to now is 52.2 secs Computing kpt #: 90 total cpu time spent up to now is 52.7 secs Computing kpt #: 91 total cpu time spent up to now is 53.3 secs Computing kpt #: 92 total cpu time spent up to now is 53.9 secs Computing kpt #: 93 total cpu time spent up to now is 54.5 secs Computing kpt #: 94 total cpu time spent up to now is 55.0 secs Computing kpt #: 95 total cpu time spent up to now is 55.7 secs Computing kpt #: 96 total cpu time spent up to now is 56.4 secs Computing kpt #: 97 total cpu time spent up to now is 57.3 secs Computing kpt #: 98 total cpu time spent up to now is 58.1 secs Computing kpt #: 99 total cpu time spent up to now is 59.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.4 secs Computing kpt #: 102 total cpu time spent up to now is 62.3 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.4 secs Computing kpt #: 104 total cpu time spent up to now is 64.1 secs Computing kpt #: 105 total cpu time spent up to now is 64.7 secs Computing kpt #: 106 total cpu time spent up to now is 65.2 secs Computing kpt #: 107 total cpu time spent up to now is 65.8 secs Computing kpt #: 108 total cpu time spent up to now is 66.4 secs Computing kpt #: 109 total cpu time spent up to now is 67.0 secs Computing kpt #: 110 total cpu time spent up to now is 67.5 secs Computing kpt #: 111 total cpu time spent up to now is 68.1 secs Computing kpt #: 112 total cpu time spent up to now is 68.6 secs Computing kpt #: 113 total cpu time spent up to now is 69.1 secs Computing kpt #: 114 total cpu time spent up to now is 69.6 secs Computing kpt #: 115 total cpu time spent up to now is 70.2 secs Computing kpt #: 116 total cpu time spent up to now is 70.7 secs Computing kpt #: 117 total cpu time spent up to now is 71.3 secs Computing kpt #: 118 total cpu time spent up to now is 71.8 secs Computing kpt #: 119 total cpu time spent up to now is 72.4 secs Computing kpt #: 120 total cpu time spent up to now is 72.9 secs Computing kpt #: 121 total cpu time spent up to now is 73.5 secs Computing kpt #: 122 total cpu time spent up to now is 74.0 secs Computing kpt #: 123 total cpu time spent up to now is 74.7 secs Computing kpt #: 124 total cpu time spent up to now is 75.4 secs Computing kpt #: 125 total cpu time spent up to now is 76.2 secs Computing kpt #: 126 total cpu time spent up to now is 77.0 secs Computing kpt #: 127 total cpu time spent up to now is 77.7 secs Computing kpt #: 128 total cpu time spent up to now is 78.4 secs Computing kpt #: 129 total cpu time spent up to now is 79.1 secs Computing kpt #: 130 total cpu time spent up to now is 79.7 secs Computing kpt #: 131 total cpu time spent up to now is 80.3 secs Computing kpt #: 132 total cpu time spent up to now is 80.9 secs Computing kpt #: 133 total cpu time spent up to now is 81.5 secs Computing kpt #: 134 total cpu time spent up to now is 82.1 secs Computing kpt #: 135 total cpu time spent up to now is 82.7 secs Computing kpt #: 136 total cpu time spent up to now is 83.2 secs Computing kpt #: 137 total cpu time spent up to now is 83.7 secs Computing kpt #: 138 total cpu time spent up to now is 84.4 secs Computing kpt #: 139 total cpu time spent up to now is 84.9 secs Computing kpt #: 140 total cpu time spent up to now is 85.4 secs Computing kpt #: 141 total cpu time spent up to now is 85.9 secs Computing kpt #: 142 total cpu time spent up to now is 86.5 secs Computing kpt #: 143 total cpu time spent up to now is 87.0 secs Computing kpt #: 144 total cpu time spent up to now is 87.6 secs Computing kpt #: 145 total cpu time spent up to now is 88.2 secs Computing kpt #: 146 total cpu time spent up to now is 88.8 secs Computing kpt #: 147 total cpu time spent up to now is 89.3 secs Computing kpt #: 148 total cpu time spent up to now is 89.9 secs Computing kpt #: 149 total cpu time spent up to now is 90.6 secs Computing kpt #: 150 total cpu time spent up to now is 91.1 secs Computing kpt #: 151 total cpu time spent up to now is 91.7 secs Computing kpt #: 152 total cpu time spent up to now is 92.2 secs Computing kpt #: 153 total cpu time spent up to now is 92.7 secs Computing kpt #: 154 total cpu time spent up to now is 93.3 secs Computing kpt #: 155 total cpu time spent up to now is 93.9 secs Computing kpt #: 156 total cpu time spent up to now is 94.4 secs Computing kpt #: 157 total cpu time spent up to now is 94.9 secs Computing kpt #: 158 total cpu time spent up to now is 95.5 secs Computing kpt #: 159 total cpu time spent up to now is 96.0 secs Computing kpt #: 160 total cpu time spent up to now is 96.5 secs Computing kpt #: 161 total cpu time spent up to now is 97.1 secs Computing kpt #: 162 total cpu time spent up to now is 97.7 secs Computing kpt #: 163 total cpu time spent up to now is 98.2 secs Computing kpt #: 164 total cpu time spent up to now is 98.7 secs Computing kpt #: 165 total cpu time spent up to now is 99.3 secs Computing kpt #: 166 total cpu time spent up to now is 99.8 secs Computing kpt #: 167 total cpu time spent up to now is 100.3 secs Computing kpt #: 168 total cpu time spent up to now is 100.8 secs Computing kpt #: 169 total cpu time spent up to now is 101.4 secs Computing kpt #: 170 total cpu time spent up to now is 101.9 secs Computing kpt #: 171 total cpu time spent up to now is 102.4 secs Computing kpt #: 172 total cpu time spent up to now is 102.9 secs Computing kpt #: 173 total cpu time spent up to now is 103.4 secs Computing kpt #: 174 total cpu time spent up to now is 103.9 secs Computing kpt #: 175 total cpu time spent up to now is 104.4 secs Computing kpt #: 176 total cpu time spent up to now is 104.9 secs Computing kpt #: 177 total cpu time spent up to now is 105.5 secs Computing kpt #: 178 total cpu time spent up to now is 106.0 secs Computing kpt #: 179 total cpu time spent up to now is 106.5 secs Computing kpt #: 180 total cpu time spent up to now is 107.1 secs Computing kpt #: 181 total cpu time spent up to now is 107.6 secs Computing kpt #: 182 total cpu time spent up to now is 108.1 secs Computing kpt #: 183 total cpu time spent up to now is 108.8 secs Computing kpt #: 184 total cpu time spent up to now is 109.4 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.5 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.5 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.6 secs Computing kpt #: 189 total cpu time spent up to now is 114.5 secs Computing kpt #: 190 total cpu time spent up to now is 115.3 secs Computing kpt #: 191 total cpu time spent up to now is 115.9 secs Computing kpt #: 192 total cpu time spent up to now is 116.6 secs Computing kpt #: 193 total cpu time spent up to now is 117.3 secs Computing kpt #: 194 total cpu time spent up to now is 117.9 secs Computing kpt #: 195 total cpu time spent up to now is 118.4 secs Computing kpt #: 196 total cpu time spent up to now is 119.0 secs Computing kpt #: 197 total cpu time spent up to now is 119.7 secs Computing kpt #: 198 total cpu time spent up to now is 120.3 secs Computing kpt #: 199 total cpu time spent up to now is 121.1 secs Computing kpt #: 200 total cpu time spent up to now is 121.8 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.0 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 203 total cpu time spent up to now is 124.8 secs Computing kpt #: 204 total cpu time spent up to now is 125.5 secs Computing kpt #: 205 total cpu time spent up to now is 126.2 secs Computing kpt #: 206 total cpu time spent up to now is 126.8 secs Computing kpt #: 207 total cpu time spent up to now is 127.4 secs Computing kpt #: 208 total cpu time spent up to now is 127.9 secs Computing kpt #: 209 total cpu time spent up to now is 128.4 secs Computing kpt #: 210 total cpu time spent up to now is 128.9 secs Computing kpt #: 211 total cpu time spent up to now is 129.4 secs Computing kpt #: 212 total cpu time spent up to now is 130.0 secs Computing kpt #: 213 total cpu time spent up to now is 130.5 secs Computing kpt #: 214 total cpu time spent up to now is 131.0 secs Computing kpt #: 215 total cpu time spent up to now is 131.5 secs Computing kpt #: 216 total cpu time spent up to now is 132.0 secs Computing kpt #: 217 total cpu time spent up to now is 132.5 secs Computing kpt #: 218 total cpu time spent up to now is 133.0 secs Computing kpt #: 219 total cpu time spent up to now is 133.5 secs Computing kpt #: 220 total cpu time spent up to now is 134.1 secs Computing kpt #: 221 total cpu time spent up to now is 134.6 secs Computing kpt #: 222 total cpu time spent up to now is 135.2 secs Computing kpt #: 223 total cpu time spent up to now is 135.7 secs Computing kpt #: 224 total cpu time spent up to now is 136.2 secs Computing kpt #: 225 total cpu time spent up to now is 136.7 secs Computing kpt #: 226 total cpu time spent up to now is 137.2 secs Computing kpt #: 227 total cpu time spent up to now is 137.8 secs Computing kpt #: 228 total cpu time spent up to now is 138.3 secs Computing kpt #: 229 total cpu time spent up to now is 138.8 secs Computing kpt #: 230 total cpu time spent up to now is 139.3 secs Computing kpt #: 231 total cpu time spent up to now is 139.8 secs Computing kpt #: 232 total cpu time spent up to now is 140.3 secs Computing kpt #: 233 total cpu time spent up to now is 140.9 secs Computing kpt #: 234 total cpu time spent up to now is 141.4 secs Computing kpt #: 235 total cpu time spent up to now is 141.9 secs Computing kpt #: 236 total cpu time spent up to now is 142.4 secs Computing kpt #: 237 total cpu time spent up to now is 142.9 secs Computing kpt #: 238 total cpu time spent up to now is 143.5 secs Computing kpt #: 239 total cpu time spent up to now is 144.0 secs Computing kpt #: 240 total cpu time spent up to now is 144.5 secs Computing kpt #: 241 total cpu time spent up to now is 145.0 secs Computing kpt #: 242 total cpu time spent up to now is 145.5 secs Computing kpt #: 243 total cpu time spent up to now is 146.1 secs Computing kpt #: 244 total cpu time spent up to now is 146.6 secs Computing kpt #: 245 total cpu time spent up to now is 147.1 secs Computing kpt #: 246 total cpu time spent up to now is 147.6 secs Computing kpt #: 247 total cpu time spent up to now is 148.1 secs Computing kpt #: 248 total cpu time spent up to now is 148.7 secs Computing kpt #: 249 total cpu time spent up to now is 149.2 secs Computing kpt #: 250 total cpu time spent up to now is 149.7 secs Computing kpt #: 251 total cpu time spent up to now is 150.2 secs Computing kpt #: 252 total cpu time spent up to now is 150.7 secs Computing kpt #: 253 total cpu time spent up to now is 151.3 secs Computing kpt #: 254 total cpu time spent up to now is 151.8 secs Computing kpt #: 255 total cpu time spent up to now is 152.3 secs Computing kpt #: 256 total cpu time spent up to now is 152.8 secs Computing kpt #: 257 total cpu time spent up to now is 153.4 secs Computing kpt #: 258 total cpu time spent up to now is 153.9 secs Computing kpt #: 259 total cpu time spent up to now is 154.4 secs Computing kpt #: 260 total cpu time spent up to now is 154.9 secs Computing kpt #: 261 total cpu time spent up to now is 155.5 secs Computing kpt #: 262 total cpu time spent up to now is 156.1 secs Computing kpt #: 263 total cpu time spent up to now is 156.7 secs Computing kpt #: 264 total cpu time spent up to now is 157.2 secs Computing kpt #: 265 total cpu time spent up to now is 157.9 secs Computing kpt #: 266 total cpu time spent up to now is 158.6 secs Computing kpt #: 267 total cpu time spent up to now is 159.4 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.6 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.7 secs Computing kpt #: 270 total cpu time spent up to now is 162.8 secs Computing kpt #: 271 total cpu time spent up to now is 163.6 secs Computing kpt #: 272 total cpu time spent up to now is 164.4 secs Computing kpt #: 273 total cpu time spent up to now is 165.1 secs Computing kpt #: 274 total cpu time spent up to now is 165.9 secs Computing kpt #: 275 total cpu time spent up to now is 166.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.9 secs Computing kpt #: 278 total cpu time spent up to now is 169.9 secs Computing kpt #: 279 total cpu time spent up to now is 171.0 secs Computing kpt #: 280 total cpu time spent up to now is 171.9 secs Computing kpt #: 281 total cpu time spent up to now is 172.8 secs Computing kpt #: 282 total cpu time spent up to now is 173.5 secs Computing kpt #: 283 total cpu time spent up to now is 174.2 secs Computing kpt #: 284 total cpu time spent up to now is 174.9 secs Computing kpt #: 285 total cpu time spent up to now is 175.5 secs Computing kpt #: 286 total cpu time spent up to now is 176.2 secs Computing kpt #: 287 total cpu time spent up to now is 176.9 secs Computing kpt #: 288 total cpu time spent up to now is 177.5 secs Computing kpt #: 289 total cpu time spent up to now is 178.1 secs Computing kpt #: 290 total cpu time spent up to now is 178.8 secs Computing kpt #: 291 total cpu time spent up to now is 179.4 secs Computing kpt #: 292 total cpu time spent up to now is 180.1 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.2 secs Computing kpt #: 294 total cpu time spent up to now is 182.0 secs Computing kpt #: 295 total cpu time spent up to now is 182.8 secs Computing kpt #: 296 total cpu time spent up to now is 183.6 secs Computing kpt #: 297 total cpu time spent up to now is 184.1 secs Computing kpt #: 298 total cpu time spent up to now is 184.7 secs Computing kpt #: 299 total cpu time spent up to now is 185.3 secs Computing kpt #: 300 total cpu time spent up to now is 185.8 secs Computing kpt #: 301 total cpu time spent up to now is 186.3 secs Computing kpt #: 302 total cpu time spent up to now is 186.8 secs Computing kpt #: 303 total cpu time spent up to now is 187.4 secs Computing kpt #: 304 total cpu time spent up to now is 187.9 secs Computing kpt #: 305 total cpu time spent up to now is 188.4 secs Computing kpt #: 306 total cpu time spent up to now is 188.9 secs Computing kpt #: 307 total cpu time spent up to now is 189.4 secs Computing kpt #: 308 total cpu time spent up to now is 189.9 secs Computing kpt #: 309 total cpu time spent up to now is 190.4 secs Computing kpt #: 310 total cpu time spent up to now is 190.9 secs Computing kpt #: 311 total cpu time spent up to now is 191.6 secs Computing kpt #: 312 total cpu time spent up to now is 192.3 secs Computing kpt #: 313 total cpu time spent up to now is 192.9 secs Computing kpt #: 314 total cpu time spent up to now is 193.6 secs Computing kpt #: 315 total cpu time spent up to now is 194.2 secs Computing kpt #: 316 total cpu time spent up to now is 194.9 secs Computing kpt #: 317 total cpu time spent up to now is 195.5 secs Computing kpt #: 318 total cpu time spent up to now is 196.2 secs Computing kpt #: 319 total cpu time spent up to now is 196.8 secs Computing kpt #: 320 total cpu time spent up to now is 197.5 secs Computing kpt #: 321 total cpu time spent up to now is 198.1 secs Computing kpt #: 322 total cpu time spent up to now is 198.7 secs Computing kpt #: 323 total cpu time spent up to now is 199.3 secs Computing kpt #: 324 total cpu time spent up to now is 199.9 secs Computing kpt #: 325 total cpu time spent up to now is 200.5 secs Computing kpt #: 326 total cpu time spent up to now is 201.0 secs Computing kpt #: 327 total cpu time spent up to now is 201.6 secs Computing kpt #: 328 total cpu time spent up to now is 202.2 secs Computing kpt #: 329 total cpu time spent up to now is 202.7 secs Computing kpt #: 330 total cpu time spent up to now is 203.3 secs Computing kpt #: 331 total cpu time spent up to now is 203.8 secs Computing kpt #: 332 total cpu time spent up to now is 204.3 secs Computing kpt #: 333 total cpu time spent up to now is 204.8 secs Computing kpt #: 334 total cpu time spent up to now is 205.3 secs Computing kpt #: 335 total cpu time spent up to now is 205.9 secs Computing kpt #: 336 total cpu time spent up to now is 206.5 secs Computing kpt #: 337 total cpu time spent up to now is 207.0 secs Computing kpt #: 338 total cpu time spent up to now is 207.6 secs Computing kpt #: 339 total cpu time spent up to now is 208.1 secs Computing kpt #: 340 total cpu time spent up to now is 208.7 secs Computing kpt #: 341 total cpu time spent up to now is 209.3 secs Computing kpt #: 342 total cpu time spent up to now is 209.8 secs Computing kpt #: 343 total cpu time spent up to now is 210.4 secs Computing kpt #: 344 total cpu time spent up to now is 211.0 secs Computing kpt #: 345 total cpu time spent up to now is 211.5 secs Computing kpt #: 346 total cpu time spent up to now is 212.0 secs Computing kpt #: 347 total cpu time spent up to now is 212.6 secs Computing kpt #: 348 total cpu time spent up to now is 213.2 secs Computing kpt #: 349 total cpu time spent up to now is 213.7 secs Computing kpt #: 350 total cpu time spent up to now is 214.3 secs Computing kpt #: 351 total cpu time spent up to now is 214.8 secs Computing kpt #: 352 total cpu time spent up to now is 215.4 secs Computing kpt #: 353 total cpu time spent up to now is 215.9 secs Computing kpt #: 354 total cpu time spent up to now is 216.5 secs Computing kpt #: 355 total cpu time spent up to now is 217.0 secs Computing kpt #: 356 total cpu time spent up to now is 217.5 secs Computing kpt #: 357 total cpu time spent up to now is 218.0 secs Computing kpt #: 358 total cpu time spent up to now is 218.5 secs ethr = 2.78E-08, avg # of iterations = 48.4 total cpu time spent up to now is 218.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1337 -15.1337 -14.9517 -14.9517 -14.8689 -14.8689 -14.7769 -14.7769 -14.7068 -14.7068 -9.3146 -9.3146 -9.0025 -9.0025 0.5711 0.5711 2.7871 2.7871 2.8679 2.8679 2.9511 2.9511 3.1491 3.1491 3.2244 3.2244 3.5164 3.5164 3.9785 3.9785 9.3991 9.3991 9.8406 9.8406 9.8534 9.8534 10.0054 10.0054 k = 0.0000 0.0122-0.0000 ( 3619 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1339 -15.1339 -14.9517 -14.9517 -14.8690 -14.8690 -14.7769 -14.7769 -14.7070 -14.7070 -9.3142 -9.3142 -9.0024 -9.0024 0.5720 0.5720 2.7833 2.7833 2.8684 2.8684 2.9502 2.9502 3.1461 3.1461 3.2212 3.2212 3.5190 3.5190 3.9832 3.9832 9.4012 9.4012 9.8372 9.8372 9.8503 9.8503 10.0067 10.0067 k = 0.0000 0.0244-0.0000 ( 3617 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3019 -15.3019 -15.1345 -15.1345 -14.9514 -14.9514 -14.8693 -14.8693 -14.7768 -14.7768 -14.7074 -14.7074 -9.3129 -9.3129 -9.0018 -9.0018 0.5747 0.5747 2.7721 2.7721 2.8695 2.8695 2.9477 2.9477 3.1364 3.1364 3.2132 3.2132 3.5266 3.5266 3.9969 3.9969 9.4076 9.4076 9.8254 9.8254 9.8435 9.8435 10.0099 10.0099 k = 0.0000 0.0366-0.0000 ( 3605 PWs) bands (ev): -33.9641 -33.9641 -33.8998 -33.8998 -15.3019 -15.3019 -15.1356 -15.1356 -14.9510 -14.9510 -14.8698 -14.8698 -14.7766 -14.7766 -14.7080 -14.7080 -9.3108 -9.3108 -9.0010 -9.0010 0.5792 0.5792 2.7541 2.7541 2.8707 2.8707 2.9440 2.9440 3.1178 3.1178 3.2036 3.2036 3.5388 3.5388 4.0185 4.0185 9.4181 9.4181 9.8053 9.8053 9.8351 9.8351 10.0140 10.0140 k = 0.0000 0.0488-0.0000 ( 3603 PWs) bands (ev): -33.9638 -33.9638 -33.8999 -33.8999 -15.3020 -15.3020 -15.1370 -15.1370 -14.9505 -14.9505 -14.8706 -14.8706 -14.7765 -14.7765 -14.7089 -14.7089 -9.3078 -9.3078 -8.9998 -8.9998 0.5855 0.5855 2.7299 2.7299 2.8714 2.8714 2.9397 2.9397 3.0893 3.0893 3.1953 3.1953 3.5550 3.5550 4.0462 4.0462 9.4324 9.4324 9.7792 9.7792 9.8247 9.8247 10.0180 10.0180 k = 0.0000 0.0610-0.0000 ( 3597 PWs) bands (ev): -33.9635 -33.9635 -33.9000 -33.9000 -15.3021 -15.3021 -15.1388 -15.1388 -14.9498 -14.9498 -14.8715 -14.8715 -14.7763 -14.7763 -14.7100 -14.7100 -9.3041 -9.3041 -8.9983 -8.9983 0.5935 0.5935 2.7000 2.7000 2.8710 2.8710 2.9353 2.9353 3.0525 3.0525 3.1886 3.1886 3.5743 3.5743 4.0786 4.0786 9.4503 9.4503 9.7495 9.7495 9.8123 9.8123 10.0213 10.0213 k = 0.0000 0.0732-0.0000 ( 3591 PWs) bands (ev): -33.9631 -33.9631 -33.9001 -33.9001 -15.3022 -15.3022 -15.1410 -15.1410 -14.9490 -14.9490 -14.8726 -14.8726 -14.7762 -14.7762 -14.7113 -14.7113 -9.2995 -9.2995 -8.9964 -8.9964 0.6033 0.6033 2.6652 2.6652 2.8688 2.8688 2.9309 2.9309 3.0104 3.0104 3.1829 3.1829 3.5962 3.5962 4.1142 4.1142 9.4712 9.4712 9.7176 9.7176 9.7981 9.7981 10.0237 10.0237 k = 0.0000 0.0854-0.0000 ( 3595 PWs) bands (ev): -33.9627 -33.9627 -33.9003 -33.9003 -15.3023 -15.3023 -15.1436 -15.1436 -14.9481 -14.9481 -14.8739 -14.8739 -14.7761 -14.7761 -14.7129 -14.7129 -9.2942 -9.2942 -8.9943 -8.9943 0.6147 0.6147 2.6260 2.6260 2.8625 2.8625 2.9262 2.9262 2.9673 2.9673 3.1776 3.1776 3.6199 3.6199 4.1517 4.1517 9.4948 9.4948 9.6849 9.6849 9.7823 9.7823 10.0252 10.0252 k = 0.0000 0.0976-0.0000 ( 3599 PWs) bands (ev): -33.9622 -33.9622 -33.9005 -33.9005 -15.3025 -15.3025 -15.1466 -15.1466 -14.9471 -14.9471 -14.8753 -14.8753 -14.7760 -14.7760 -14.7146 -14.7146 -9.2881 -9.2881 -8.9919 -8.9919 0.6279 0.6279 2.5832 2.5832 2.8461 2.8461 2.9183 2.9183 2.9337 2.9337 3.1724 3.1724 3.6450 3.6450 4.1903 4.1903 9.5202 9.5202 9.6524 9.6524 9.7653 9.7653 10.0258 10.0258 k = 0.0000 0.1098-0.0000 ( 3595 PWs) bands (ev): -33.9616 -33.9616 -33.9007 -33.9007 -15.3026 -15.3026 -15.1499 -15.1499 -14.9460 -14.9460 -14.8768 -14.8768 -14.7759 -14.7759 -14.7165 -14.7165 -9.2812 -9.2812 -8.9892 -8.9892 0.6426 0.6426 2.5372 2.5372 2.8114 2.8114 2.9021 2.9021 2.9237 2.9237 3.1670 3.1670 3.6711 3.6711 4.2292 4.2292 9.5469 9.5469 9.6210 9.6210 9.7475 9.7475 10.0257 10.0257 k = 0.0000 0.1220-0.0000 ( 3587 PWs) bands (ev): -33.9610 -33.9610 -33.9009 -33.9009 -15.3028 -15.3028 -15.1535 -15.1535 -14.9448 -14.9448 -14.8784 -14.8784 -14.7760 -14.7760 -14.7184 -14.7184 -9.2737 -9.2737 -8.9863 -8.9863 0.6588 0.6588 2.4888 2.4888 2.7626 2.7626 2.8918 2.8918 2.9200 2.9200 3.1614 3.1614 3.6978 3.6978 4.2678 4.2678 9.5738 9.5738 9.5915 9.5915 9.7293 9.7293 10.0250 10.0250 k = 0.0000 0.1341-0.0000 ( 3583 PWs) bands (ev): -33.9603 -33.9603 -33.9012 -33.9012 -15.3031 -15.3031 -15.1574 -15.1574 -14.9435 -14.9435 -14.8801 -14.8801 -14.7761 -14.7761 -14.7205 -14.7205 -9.2656 -9.2656 -8.9832 -8.9832 0.6766 0.6766 2.4382 2.4382 2.7075 2.7075 2.8849 2.8849 2.9175 2.9175 3.1554 3.1554 3.7249 3.7249 4.3057 4.3057 9.5637 9.5637 9.6007 9.6007 9.7110 9.7110 10.0237 10.0237 k = 0.0000 0.1463-0.0000 ( 3586 PWs) bands (ev): -33.9596 -33.9596 -33.9015 -33.9015 -15.3034 -15.3034 -15.1615 -15.1615 -14.9422 -14.9422 -14.8818 -14.8818 -14.7763 -14.7763 -14.7226 -14.7226 -9.2568 -9.2568 -8.9798 -8.9798 0.6958 0.6958 2.3860 2.3860 2.6501 2.6501 2.8789 2.8789 2.9155 2.9155 3.1492 3.1492 3.7523 3.7523 4.3425 4.3425 9.5393 9.5393 9.6257 9.6257 9.6929 9.6929 10.0220 10.0220 k = 0.0000 0.1585-0.0000 ( 3582 PWs) bands (ev): -33.9588 -33.9588 -33.9018 -33.9018 -15.3037 -15.3037 -15.1660 -15.1660 -14.9409 -14.9409 -14.8835 -14.8835 -14.7766 -14.7766 -14.7247 -14.7247 -9.2475 -9.2475 -8.9764 -8.9764 0.7162 0.7162 2.3325 2.3325 2.5917 2.5917 2.8726 2.8726 2.9139 2.9139 3.1426 3.1426 3.7798 3.7798 4.3779 4.3779 9.5180 9.5180 9.6486 9.6486 9.6755 9.6755 10.0198 10.0198 k = 0.0000 0.1707-0.0000 ( 3580 PWs) bands (ev): -33.9579 -33.9579 -33.9022 -33.9022 -15.3041 -15.3041 -15.1706 -15.1706 -14.9396 -14.9396 -14.8852 -14.8852 -14.7771 -14.7771 -14.7268 -14.7268 -9.2376 -9.2376 -8.9728 -8.9728 0.7380 0.7380 2.2781 2.2781 2.5333 2.5333 2.8656 2.8656 2.9127 2.9127 3.1357 3.1357 3.8073 3.8073 4.4117 4.4117 9.5005 9.5005 9.6583 9.6583 9.6695 9.6695 10.0174 10.0174 k = 0.0000 0.1829-0.0000 ( 3584 PWs) bands (ev): -33.9570 -33.9570 -33.9026 -33.9026 -15.3045 -15.3045 -15.1755 -15.1755 -14.9383 -14.9383 -14.8869 -14.8869 -14.7777 -14.7777 -14.7289 -14.7289 -9.2272 -9.2272 -8.9691 -8.9691 0.7608 0.7608 2.2230 2.2230 2.4755 2.4755 2.8576 2.8576 2.9117 2.9117 3.1285 3.1285 3.8348 3.8348 4.4438 4.4438 9.4869 9.4869 9.6430 9.6430 9.6862 9.6862 10.0147 10.0147 k = 0.0000 0.1951-0.0000 ( 3588 PWs) bands (ev): -33.9560 -33.9560 -33.9030 -33.9030 -15.3050 -15.3050 -15.1806 -15.1806 -14.9370 -14.9370 -14.8885 -14.8885 -14.7784 -14.7784 -14.7310 -14.7310 -9.2164 -9.2164 -8.9653 -8.9653 0.7846 0.7846 2.1676 2.1676 2.4188 2.4188 2.8485 2.8485 2.9110 2.9110 3.1210 3.1210 3.8622 3.8622 4.4740 4.4740 9.4775 9.4775 9.6288 9.6288 9.7001 9.7001 10.0118 10.0118 k = 0.0000 0.2073-0.0000 ( 3582 PWs) bands (ev): -33.9550 -33.9550 -33.9035 -33.9035 -15.3055 -15.3055 -15.1858 -15.1858 -14.9357 -14.9357 -14.8901 -14.8901 -14.7792 -14.7792 -14.7330 -14.7330 -9.2053 -9.2053 -8.9615 -8.9615 0.8093 0.8093 2.1122 2.1122 2.3635 2.3635 2.8382 2.8382 2.9104 2.9104 3.1133 3.1133 3.8895 3.8895 4.5020 4.5020 9.4726 9.4726 9.6161 9.6161 9.7112 9.7112 10.0088 10.0088 k = 0.0000 0.2195-0.0000 ( 3588 PWs) bands (ev): -33.9540 -33.9540 -33.9040 -33.9040 -15.3060 -15.3060 -15.1912 -15.1912 -14.9345 -14.9345 -14.8916 -14.8916 -14.7800 -14.7800 -14.7349 -14.7349 -9.1938 -9.1938 -8.9577 -8.9577 0.8347 0.8347 2.0569 2.0569 2.3100 2.3100 2.8266 2.8266 2.9099 2.9099 3.1054 3.1054 3.9166 3.9166 4.5280 4.5280 9.4722 9.4722 9.6050 9.6050 9.7198 9.7198 10.0059 10.0059 k = 0.0000 0.2317-0.0000 ( 3598 PWs) bands (ev): -33.9529 -33.9529 -33.9045 -33.9045 -15.3066 -15.3066 -15.1967 -15.1967 -14.9334 -14.9334 -14.8930 -14.8930 -14.7810 -14.7810 -14.7368 -14.7368 -9.1820 -9.1820 -8.9540 -8.9540 0.8606 0.8606 2.0020 2.0020 2.2587 2.2587 2.8135 2.8135 2.9096 2.9096 3.0973 3.0973 3.9436 3.9436 4.5516 4.5516 9.4766 9.4766 9.5958 9.5958 9.7265 9.7265 10.0030 10.0030 k = 0.0000 0.2439-0.0000 ( 3596 PWs) bands (ev): -33.9518 -33.9518 -33.9050 -33.9050 -15.3072 -15.3072 -15.2023 -15.2023 -14.9324 -14.9324 -14.8942 -14.8942 -14.7820 -14.7820 -14.7386 -14.7386 -9.1700 -9.1700 -8.9503 -8.9503 0.8869 0.8869 1.9478 1.9478 2.2098 2.2098 2.7990 2.7990 2.9094 2.9094 3.0891 3.0891 3.9705 3.9705 4.5729 4.5729 9.4856 9.4856 9.5886 9.5886 9.7321 9.7321 10.0003 10.0003 k = 0.0000 0.2561-0.0000 ( 3604 PWs) bands (ev): -33.9506 -33.9506 -33.9056 -33.9056 -15.3078 -15.3078 -15.2079 -15.2079 -14.9315 -14.9315 -14.8954 -14.8954 -14.7831 -14.7831 -14.7403 -14.7403 -9.1578 -9.1578 -8.9468 -8.9468 0.9133 0.9133 1.8944 1.8944 2.1639 2.1639 2.7830 2.7830 2.9092 2.9092 3.0808 3.0808 3.9973 3.9973 4.5919 4.5919 9.4993 9.4993 9.5835 9.5835 9.7372 9.7372 9.9979 9.9979 k = 0.0000 0.2683-0.0000 ( 3606 PWs) bands (ev): -33.9494 -33.9494 -33.9063 -33.9063 -15.3084 -15.3084 -15.2136 -15.2136 -14.9306 -14.9306 -14.8965 -14.8965 -14.7840 -14.7840 -14.7420 -14.7420 -9.1455 -9.1455 -8.9434 -8.9434 0.9395 0.9395 1.8420 1.8420 2.1212 2.1212 2.7654 2.7654 2.9092 2.9092 3.0724 3.0724 4.0240 4.0240 4.6084 4.6084 9.5177 9.5177 9.5807 9.5807 9.7423 9.7423 9.9959 9.9959 k = 0.0000 0.2805-0.0000 ( 3606 PWs) bands (ev): -33.9482 -33.9482 -33.9069 -33.9069 -15.3089 -15.3089 -15.2193 -15.2193 -14.9298 -14.9298 -14.8975 -14.8975 -14.7850 -14.7850 -14.7436 -14.7436 -9.1331 -9.1331 -8.9402 -8.9402 0.9653 0.9653 1.7909 1.7909 2.0821 2.0821 2.7461 2.7461 2.9093 2.9093 3.0640 3.0640 4.0506 4.0506 4.6225 4.6225 9.5404 9.5404 9.5802 9.5802 9.7479 9.7479 9.9944 9.9944 k = 0.0000 0.2927-0.0000 ( 3610 PWs) bands (ev): -33.9469 -33.9469 -33.9076 -33.9076 -15.3095 -15.3095 -15.2249 -15.2249 -14.9291 -14.9291 -14.8984 -14.8984 -14.7858 -14.7858 -14.7453 -14.7453 -9.1207 -9.1207 -8.9373 -8.9373 0.9905 0.9905 1.7411 1.7411 2.0470 2.0470 2.7252 2.7252 2.9095 2.9095 3.0555 3.0555 4.0772 4.0772 4.6341 4.6341 9.5671 9.5671 9.5823 9.5823 9.7542 9.7542 9.9937 9.9937 k = 0.0000 0.3049-0.0000 ( 3618 PWs) bands (ev): -33.9457 -33.9457 -33.9083 -33.9083 -15.3100 -15.3100 -15.2306 -15.2306 -14.9285 -14.9285 -14.8993 -14.8993 -14.7865 -14.7865 -14.7469 -14.7469 -9.1084 -9.1084 -8.9346 -8.9346 1.0146 1.0146 1.6930 1.6930 2.0162 2.0162 2.7027 2.7027 2.9097 2.9097 3.0472 3.0472 4.1036 4.1036 4.6432 4.6432 9.5853 9.5853 9.5993 9.5993 9.7615 9.7615 9.9940 9.9940 k = 0.0000 0.3171-0.0000 ( 3618 PWs) bands (ev): -33.9444 -33.9444 -33.9091 -33.9091 -15.3105 -15.3105 -15.2361 -15.2361 -14.9279 -14.9279 -14.9001 -14.9001 -14.7871 -14.7871 -14.7484 -14.7484 -9.0961 -9.0961 -8.9322 -8.9322 1.0374 1.0374 1.6465 1.6465 1.9902 1.9902 2.6785 2.6785 2.9102 2.9102 3.0389 3.0389 4.1300 4.1300 4.6499 4.6499 9.5923 9.5923 9.6332 9.6332 9.7699 9.7699 9.9955 9.9955 k = 0.0000 0.3293-0.0000 ( 3624 PWs) bands (ev): -33.9431 -33.9431 -33.9099 -33.9099 -15.3109 -15.3109 -15.2417 -15.2417 -14.9273 -14.9273 -14.9009 -14.9009 -14.7875 -14.7875 -14.7500 -14.7500 -9.0840 -9.0840 -8.9302 -8.9302 1.0585 1.0585 1.6018 1.6018 1.9692 1.9692 2.6527 2.6527 2.9107 2.9107 3.0307 3.0307 4.1564 4.1564 4.6542 4.6542 9.6015 9.6015 9.6701 9.6701 9.7795 9.7795 9.9989 9.9989 k = 0.0000 0.3415-0.0000 ( 3626 PWs) bands (ev): -33.9417 -33.9417 -33.9107 -33.9107 -15.3112 -15.3112 -15.2470 -15.2470 -14.9268 -14.9268 -14.9016 -14.9016 -14.7877 -14.7877 -14.7517 -14.7517 -9.0721 -9.0721 -8.9285 -8.9285 1.0778 1.0778 1.5591 1.5591 1.9536 1.9536 2.6253 2.6253 2.9115 2.9115 3.0227 3.0227 4.1827 4.1827 4.6561 4.6561 9.6132 9.6132 9.7089 9.7089 9.7900 9.7900 10.0047 10.0047 k = 0.0000 0.3537-0.0000 ( 3622 PWs) bands (ev): -33.9404 -33.9404 -33.9116 -33.9116 -15.3114 -15.3114 -15.2523 -15.2523 -14.9262 -14.9262 -14.9024 -14.9024 -14.7876 -14.7876 -14.7533 -14.7533 -9.0604 -9.0604 -8.9272 -8.9272 1.0951 1.0951 1.5185 1.5185 1.9435 1.9435 2.5964 2.5964 2.9124 2.9124 3.0148 3.0148 4.2090 4.2090 4.6557 4.6557 9.6273 9.6273 9.7479 9.7479 9.8014 9.8014 10.0141 10.0141 k = 0.0000 0.3659-0.0000 ( 3618 PWs) bands (ev): -33.9390 -33.9390 -33.9125 -33.9125 -15.3114 -15.3114 -15.2574 -15.2574 -14.9256 -14.9256 -14.9033 -14.9033 -14.7874 -14.7874 -14.7549 -14.7549 -9.0491 -9.0491 -8.9264 -8.9264 1.1102 1.1102 1.4800 1.4800 1.9391 1.9391 2.5660 2.5660 2.9134 2.9134 3.0072 3.0072 4.2352 4.2352 4.6530 4.6530 9.6439 9.6439 9.7854 9.7854 9.8134 9.8134 10.0286 10.0286 k = 0.0000 0.3780-0.0000 ( 3610 PWs) bands (ev): -33.9377 -33.9377 -33.9134 -33.9134 -15.3114 -15.3114 -15.2623 -15.2623 -14.9250 -14.9250 -14.9041 -14.9041 -14.7870 -14.7870 -14.7566 -14.7566 -9.0380 -9.0380 -8.9261 -8.9261 1.1232 1.1232 1.4438 1.4438 1.9402 1.9402 2.5343 2.5343 2.9147 2.9147 2.9998 2.9998 4.2612 4.2612 4.6482 4.6482 9.6630 9.6630 9.8189 9.8189 9.8259 9.8259 10.0501 10.0501 k = 0.0000 0.3902-0.0000 ( 3610 PWs) bands (ev): -33.9363 -33.9363 -33.9144 -33.9144 -15.3111 -15.3111 -15.2671 -15.2671 -14.9243 -14.9243 -14.9051 -14.9051 -14.7864 -14.7864 -14.7583 -14.7583 -9.0273 -9.0273 -8.9262 -8.9262 1.1342 1.1342 1.4099 1.4099 1.9468 1.9468 2.5014 2.5014 2.9162 2.9162 2.9926 2.9926 4.2871 4.2871 4.6413 4.6413 9.6845 9.6845 9.8379 9.8379 9.8469 9.8469 10.0800 10.0800 k = 0.0000 0.4024-0.0000 ( 3618 PWs) bands (ev): -33.9350 -33.9350 -33.9154 -33.9154 -15.3107 -15.3107 -15.2716 -15.2716 -14.9236 -14.9236 -14.9061 -14.9061 -14.7857 -14.7857 -14.7601 -14.7601 -9.0170 -9.0170 -8.9269 -8.9269 1.1436 1.1436 1.3783 1.3783 1.9585 1.9585 2.4674 2.4674 2.9179 2.9179 2.9857 2.9857 4.3129 4.3129 4.6324 4.6324 9.7084 9.7084 9.8502 9.8502 9.8679 9.8679 10.1185 10.1185 k = 0.0000 0.4146-0.0000 ( 3612 PWs) bands (ev): -33.9336 -33.9336 -33.9164 -33.9164 -15.3101 -15.3101 -15.2760 -15.2760 -14.9227 -14.9227 -14.9071 -14.9071 -14.7847 -14.7847 -14.7619 -14.7619 -9.0072 -9.0072 -8.9281 -8.9281 1.1518 1.1518 1.3492 1.3492 1.9748 1.9748 2.4325 2.4325 2.9199 2.9199 2.9791 2.9791 4.3383 4.3383 4.6217 4.6217 9.7346 9.7346 9.8617 9.8617 9.8830 9.8830 10.1645 10.1645 k = 0.0000 0.4268-0.0000 ( 3616 PWs) bands (ev): -33.9323 -33.9323 -33.9175 -33.9175 -15.3093 -15.3093 -15.2801 -15.2801 -14.9219 -14.9219 -14.9083 -14.9083 -14.7836 -14.7836 -14.7637 -14.7637 -8.9979 -8.9979 -8.9299 -8.9299 1.1591 1.1591 1.3225 1.3225 1.9954 1.9954 2.3968 2.3968 2.9221 2.9221 2.9728 2.9728 4.3635 4.3635 4.6092 4.6092 9.7632 9.7632 9.8725 9.8725 9.8936 9.8936 10.2156 10.2156 k = 0.0000 0.4390-0.0000 ( 3610 PWs) bands (ev): -33.9310 -33.9310 -33.9186 -33.9186 -15.3083 -15.3083 -15.2839 -15.2839 -14.9209 -14.9209 -14.9094 -14.9094 -14.7823 -14.7823 -14.7655 -14.7655 -8.9890 -8.9890 -8.9323 -8.9323 1.1661 1.1661 1.2982 1.2982 2.0195 2.0195 2.3605 2.3605 2.9247 2.9247 2.9668 2.9668 4.3883 4.3883 4.5950 4.5950 9.7939 9.7939 9.8821 9.8821 9.9009 9.9009 10.1995 10.1996 k = 0.0000 0.4512-0.0000 ( 3608 PWs) bands (ev): -33.9296 -33.9296 -33.9197 -33.9197 -15.3070 -15.3070 -15.2876 -15.2876 -14.9199 -14.9199 -14.9106 -14.9106 -14.7810 -14.7810 -14.7673 -14.7673 -8.9807 -8.9807 -8.9352 -8.9352 1.1732 1.1732 1.2762 1.2762 2.0468 2.0468 2.3237 2.3237 2.9275 2.9275 2.9611 2.9611 4.4126 4.4126 4.5793 4.5793 9.8267 9.8267 9.8905 9.8905 9.9059 9.9059 10.1533 10.1533 k = 0.0000 0.4634-0.0000 ( 3612 PWs) bands (ev): -33.9283 -33.9283 -33.9209 -33.9209 -15.3055 -15.3055 -15.2909 -15.2909 -14.9189 -14.9189 -14.9118 -14.9118 -14.7795 -14.7795 -14.7691 -14.7691 -8.9729 -8.9729 -8.9388 -8.9388 1.1809 1.1809 1.2566 1.2566 2.0767 2.0767 2.2868 2.2868 2.9305 2.9305 2.9558 2.9558 4.4364 4.4364 4.5622 4.5622 9.8615 9.8615 9.8976 9.8976 9.9090 9.9090 10.1078 10.1078 k = 0.0000 0.4756-0.0000 ( 3614 PWs) bands (ev): -33.9270 -33.9270 -33.9221 -33.9221 -15.3037 -15.3037 -15.2940 -15.2940 -14.9178 -14.9178 -14.9130 -14.9130 -14.7779 -14.7779 -14.7710 -14.7710 -8.9657 -8.9657 -8.9430 -8.9430 1.1895 1.1895 1.2392 1.2392 2.1088 2.1088 2.2500 2.2500 2.9339 2.9339 2.9507 2.9507 4.4595 4.4595 4.5438 4.5438 9.8966 9.8966 9.9046 9.9046 9.9109 9.9109 10.0634 10.0634 k = 0.0000 0.4878-0.0000 ( 3626 PWs) bands (ev): -33.9258 -33.9258 -33.9233 -33.9233 -15.3018 -15.3018 -15.2969 -15.2969 -14.9167 -14.9167 -14.9143 -14.9143 -14.7763 -14.7763 -14.7728 -14.7728 -8.9591 -8.9591 -8.9477 -8.9477 1.1993 1.1993 1.2240 1.2240 2.1425 2.1425 2.2134 2.2134 2.9376 2.9376 2.9460 2.9460 4.4820 4.4820 4.5242 4.5242 9.9064 9.9064 9.9104 9.9104 9.9381 9.9381 10.0201 10.0201 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2995 -15.2995 -15.2995 -15.2995 -14.9155 -14.9155 -14.9155 -14.9155 -14.7746 -14.7746 -14.7746 -14.7746 -8.9531 -8.9531 -8.9531 -8.9531 1.2108 1.2108 1.2108 1.2108 2.1775 2.1775 2.1775 2.1775 2.9417 2.9417 2.9417 2.9417 4.5035 4.5035 4.5035 4.5035 9.9092 9.9092 9.9092 9.9092 9.9782 9.9782 9.9782 9.9782 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2995 -15.2995 -15.2995 -15.2995 -14.9155 -14.9155 -14.9155 -14.9155 -14.7746 -14.7746 -14.7746 -14.7746 -8.9531 -8.9531 -8.9531 -8.9531 1.2108 1.2108 1.2108 1.2108 2.1775 2.1775 2.1775 2.1775 2.9417 2.9417 2.9417 2.9417 4.5035 4.5035 4.5035 4.5035 9.9092 9.9092 9.9092 9.9092 9.9782 9.9782 9.9782 9.9782 k = 0.0122 0.5000-0.0000 ( 3620 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3004 -15.3004 -15.2983 -15.2983 -14.9191 -14.9191 -14.9119 -14.9119 -14.7772 -14.7772 -14.7721 -14.7721 -8.9531 -8.9531 -8.9531 -8.9531 1.2117 1.2117 1.2118 1.2118 2.1775 2.1775 2.1782 2.1782 2.9400 2.9400 2.9402 2.9402 4.5019 4.5019 4.5029 4.5029 9.9078 9.9078 9.9093 9.9093 9.9790 9.9790 9.9813 9.9813 k = 0.0244 0.5000-0.0000 ( 3616 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3014 -15.3014 -15.2972 -15.2972 -14.9228 -14.9228 -14.9084 -14.9084 -14.7800 -14.7800 -14.7699 -14.7699 -8.9530 -8.9530 -8.9530 -8.9530 1.2144 1.2144 1.2146 1.2146 2.1783 2.1783 2.1795 2.1795 2.9352 2.9352 2.9355 2.9355 4.4980 4.4980 4.4999 4.4999 9.9053 9.9053 9.9079 9.9079 9.9838 9.9838 9.9881 9.9881 k = 0.0366 0.5000-0.0000 ( 3610 PWs) bands (ev): -33.9244 -33.9244 -33.9244 -33.9244 -15.3023 -15.3023 -15.2960 -15.2960 -14.9265 -14.9265 -14.9051 -14.9051 -14.7829 -14.7829 -14.7678 -14.7678 -8.9528 -8.9528 -8.9528 -8.9528 1.2190 1.2190 1.2193 1.2193 2.1797 2.1797 2.1816 2.1816 2.9272 2.9272 2.9276 2.9276 4.4918 4.4918 4.4947 4.4947 9.9023 9.9023 9.9056 9.9056 9.9921 9.9921 9.9980 9.9980 k = 0.0488 0.5000-0.0000 ( 3610 PWs) bands (ev): -33.9243 -33.9243 -33.9243 -33.9243 -15.3031 -15.3031 -15.2948 -15.2948 -14.9303 -14.9303 -14.9018 -14.9018 -14.7861 -14.7861 -14.7660 -14.7660 -8.9526 -8.9526 -8.9526 -8.9526 1.2254 1.2254 1.2258 1.2258 2.1819 2.1819 2.1844 2.1844 2.9163 2.9163 2.9168 2.9168 4.4833 4.4833 4.4872 4.4872 9.8991 9.8991 9.9027 9.9027 10.0037 10.0037 10.0106 10.0107 k = 0.0610 0.5000-0.0000 ( 3614 PWs) bands (ev): -33.9242 -33.9242 -33.9242 -33.9242 -15.3039 -15.3039 -15.2935 -15.2935 -14.9342 -14.9342 -14.8986 -14.8986 -14.7895 -14.7895 -14.7644 -14.7644 -8.9523 -8.9523 -8.9523 -8.9523 1.2335 1.2335 1.2341 1.2341 2.1847 2.1847 2.1879 2.1879 2.9025 2.9025 2.9030 2.9030 4.4727 4.4727 4.4774 4.4774 9.8960 9.8960 9.8997 9.8997 10.0181 10.0181 10.0259 10.0259 k = 0.0732 0.5000-0.0000 ( 3618 PWs) bands (ev): -33.9241 -33.9241 -33.9241 -33.9241 -15.3046 -15.3046 -15.2923 -15.2923 -14.9381 -14.9381 -14.8956 -14.8956 -14.7930 -14.7930 -14.7629 -14.7629 -8.9520 -8.9520 -8.9520 -8.9520 1.2434 1.2434 1.2440 1.2440 2.1883 2.1883 2.1921 2.1921 2.8860 2.8860 2.8866 2.8866 4.4599 4.4599 4.4655 4.4655 9.8931 9.8931 9.8968 9.8968 10.0353 10.0353 10.0438 10.0438 k = 0.0854 0.5000-0.0000 ( 3610 PWs) bands (ev): -33.9240 -33.9240 -33.9240 -33.9240 -15.3053 -15.3053 -15.2910 -15.2910 -14.9420 -14.9420 -14.8926 -14.8926 -14.7966 -14.7966 -14.7617 -14.7617 -8.9516 -8.9516 -8.9516 -8.9516 1.2549 1.2549 1.2556 1.2556 2.1926 2.1926 2.1971 2.1971 2.8669 2.8669 2.8675 2.8675 4.4451 4.4451 4.4514 4.4514 9.8903 9.8903 9.8939 9.8939 10.0553 10.0553 10.0643 10.0643 k = 0.0976 0.5000-0.0000 ( 3610 PWs) bands (ev): -33.9238 -33.9238 -33.9238 -33.9238 -15.3059 -15.3059 -15.2897 -15.2897 -14.9459 -14.9459 -14.8897 -14.8897 -14.8003 -14.8003 -14.7606 -14.7606 -8.9512 -8.9512 -8.9512 -8.9512 1.2679 1.2679 1.2687 1.2687 2.1976 2.1976 2.2028 2.2028 2.8456 2.8456 2.8461 2.8461 4.4283 4.4283 4.4353 4.4353 9.8876 9.8876 9.8911 9.8911 10.0781 10.0781 10.0876 10.0876 k = 0.1098 0.5000-0.0000 ( 3614 PWs) bands (ev): -33.9237 -33.9237 -33.9237 -33.9237 -15.3064 -15.3064 -15.2884 -15.2884 -14.9498 -14.9498 -14.8870 -14.8870 -14.8043 -14.8043 -14.7597 -14.7597 -8.9507 -8.9507 -8.9507 -8.9507 1.2823 1.2823 1.2832 1.2832 2.2033 2.2033 2.2092 2.2092 2.8222 2.8222 2.8226 2.8226 4.4095 4.4095 4.4173 4.4173 9.8848 9.8848 9.8880 9.8880 10.1038 10.1038 10.1136 10.1136 k = 0.1220 0.5000-0.0000 ( 3614 PWs) bands (ev): -33.9235 -33.9235 -33.9235 -33.9235 -15.3069 -15.3069 -15.2871 -15.2871 -14.9536 -14.9536 -14.8843 -14.8843 -14.8082 -14.8082 -14.7590 -14.7590 -8.9501 -8.9501 -8.9501 -8.9501 1.2980 1.2980 1.2990 1.2990 2.2098 2.2098 2.2164 2.2164 2.7970 2.7970 2.7973 2.7973 4.3890 4.3890 4.3973 4.3973 9.8816 9.8816 9.8847 9.8847 10.1324 10.1324 10.1426 10.1426 k = 0.1341 0.5000-0.0000 ( 3618 PWs) bands (ev): -33.9233 -33.9233 -33.9233 -33.9233 -15.3074 -15.3074 -15.2859 -15.2859 -14.9573 -14.9573 -14.8818 -14.8818 -14.8123 -14.8123 -14.7586 -14.7586 -8.9495 -8.9495 -8.9495 -8.9495 1.3149 1.3149 1.3159 1.3159 2.2170 2.2170 2.2243 2.2243 2.7702 2.7702 2.7703 2.7703 4.3667 4.3667 4.3756 4.3756 9.8780 9.8780 9.8809 9.8809 10.1639 10.1639 10.1744 10.1744 k = 0.1463 0.5000-0.0000 ( 3618 PWs) bands (ev): -33.9231 -33.9231 -33.9231 -33.9231 -15.3078 -15.3078 -15.2847 -15.2847 -14.9610 -14.9610 -14.8794 -14.8794 -14.8164 -14.8164 -14.7582 -14.7582 -8.9489 -8.9489 -8.9489 -8.9489 1.3328 1.3328 1.3339 1.3339 2.2249 2.2249 2.2329 2.2329 2.7421 2.7421 2.7423 2.7423 4.3429 4.3429 4.3523 4.3523 9.8737 9.8737 9.8764 9.8764 10.1985 10.1985 10.2092 10.2092 k = 0.1585 0.5000-0.0000 ( 3618 PWs) bands (ev): -33.9228 -33.9228 -33.9228 -33.9228 -15.3082 -15.3082 -15.2836 -15.2836 -14.9645 -14.9645 -14.8772 -14.8772 -14.8205 -14.8205 -14.7581 -14.7581 -8.9482 -8.9482 -8.9482 -8.9482 1.3515 1.3515 1.3528 1.3528 2.2336 2.2336 2.2423 2.2423 2.7128 2.7128 2.7133 2.7133 4.3176 4.3176 4.3275 4.3275 9.8685 9.8685 9.8710 9.8710 10.2360 10.2360 10.2470 10.2470 k = 0.1707 0.5000-0.0000 ( 3624 PWs) bands (ev): -33.9226 -33.9226 -33.9226 -33.9226 -15.3086 -15.3086 -15.2826 -15.2826 -14.9679 -14.9679 -14.8751 -14.8751 -14.8246 -14.8246 -14.7581 -14.7581 -8.9475 -8.9475 -8.9475 -8.9475 1.3709 1.3709 1.3722 1.3722 2.2430 2.2430 2.2525 2.2525 2.6828 2.6828 2.6837 2.6837 4.2910 4.2910 4.3013 4.3013 9.8622 9.8622 9.8645 9.8645 10.2764 10.2764 10.2876 10.2876 k = 0.1829 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9224 -33.9224 -33.9224 -33.9224 -15.3089 -15.3089 -15.2817 -15.2817 -14.9711 -14.9711 -14.8733 -14.8733 -14.8287 -14.8287 -14.7583 -14.7583 -8.9468 -8.9468 -8.9468 -8.9468 1.3908 1.3908 1.3922 1.3922 2.2531 2.2531 2.2634 2.2634 2.6524 2.6524 2.6538 2.6538 4.2633 4.2633 4.2739 4.2739 9.8547 9.8547 9.8568 9.8568 10.3197 10.3197 10.3311 10.3311 k = 0.1951 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9221 -33.9221 -33.9221 -33.9221 -15.3092 -15.3092 -15.2809 -15.2809 -14.9742 -14.9742 -14.8717 -14.8717 -14.8325 -14.8325 -14.7586 -14.7586 -8.9460 -8.9460 -8.9460 -8.9460 1.4110 1.4110 1.4124 1.4124 2.2639 2.2639 2.2750 2.2750 2.6218 2.6218 2.6237 2.6237 4.2346 4.2346 4.2454 4.2454 9.8459 9.8459 9.8477 9.8477 10.3658 10.3658 10.3774 10.3774 k = 0.2073 0.5000-0.0000 ( 3636 PWs) bands (ev): -33.9218 -33.9218 -33.9218 -33.9218 -15.3095 -15.3095 -15.2803 -15.2803 -14.9770 -14.9770 -14.8705 -14.8705 -14.8361 -14.8361 -14.7591 -14.7591 -8.9452 -8.9452 -8.9452 -8.9452 1.4313 1.4313 1.4327 1.4327 2.2754 2.2754 2.2874 2.2874 2.5915 2.5915 2.5940 2.5940 4.2050 4.2050 4.2160 4.2160 9.8354 9.8354 9.8370 9.8370 10.4145 10.4145 10.4263 10.4263 k = 0.2195 0.5000-0.0000 ( 3636 PWs) bands (ev): -33.9216 -33.9216 -33.9216 -33.9216 -15.3098 -15.3098 -15.2798 -15.2798 -14.9795 -14.9795 -14.8698 -14.8698 -14.8392 -14.8392 -14.7598 -14.7598 -8.9444 -8.9444 -8.9444 -8.9444 1.4514 1.4514 1.4528 1.4528 2.2875 2.2875 2.3004 2.3004 2.5616 2.5616 2.5649 2.5649 4.1747 4.1747 4.1860 4.1860 9.8235 9.8235 9.8249 9.8249 10.4657 10.4657 10.4777 10.4777 k = 0.2317 0.5000-0.0000 ( 3636 PWs) bands (ev): -33.9213 -33.9213 -33.9213 -33.9213 -15.3100 -15.3100 -15.2794 -15.2794 -14.9818 -14.9818 -14.8699 -14.8699 -14.8416 -14.8416 -14.7606 -14.7606 -8.9436 -8.9436 -8.9436 -8.9436 1.4711 1.4711 1.4725 1.4725 2.3001 2.3001 2.3140 2.3140 2.5326 2.5326 2.5367 2.5367 4.1439 4.1439 4.1553 4.1553 9.8099 9.8099 9.8110 9.8110 10.5193 10.5193 10.5315 10.5315 k = 0.2439 0.5000-0.0000 ( 3636 PWs) bands (ev): -33.9210 -33.9210 -33.9210 -33.9210 -15.3102 -15.3102 -15.2792 -15.2792 -14.9838 -14.9838 -14.8708 -14.8708 -14.8431 -14.8431 -14.7615 -14.7615 -8.9428 -8.9428 -8.9428 -8.9428 1.4903 1.4903 1.4916 1.4916 2.3131 2.3131 2.3280 2.3280 2.5047 2.5047 2.5098 2.5098 4.1128 4.1128 4.1243 4.1243 9.7946 9.7946 9.7955 9.7955 10.5752 10.5752 10.5874 10.5874 k = 0.2561 0.5000-0.0000 ( 3636 PWs) bands (ev): -33.9207 -33.9207 -33.9207 -33.9207 -15.3105 -15.3105 -15.2792 -15.2792 -14.9855 -14.9855 -14.8727 -14.8727 -14.8437 -14.8437 -14.7625 -14.7625 -8.9420 -8.9420 -8.9419 -8.9419 1.5086 1.5086 1.5097 1.5097 2.3261 2.3261 2.3422 2.3422 2.4786 2.4786 2.4848 2.4848 4.0815 4.0815 4.0930 4.0930 9.7777 9.7777 9.7784 9.7784 10.6330 10.6330 10.6454 10.6454 k = 0.2683 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9204 -33.9204 -33.9204 -33.9204 -15.3106 -15.3106 -15.2794 -15.2794 -14.9868 -14.9868 -14.8754 -14.8754 -14.8435 -14.8435 -14.7637 -14.7637 -8.9411 -8.9411 -8.9411 -8.9411 1.5258 1.5258 1.5268 1.5268 2.3387 2.3387 2.3559 2.3559 2.4550 2.4550 2.4625 2.4625 4.0502 4.0502 4.0617 4.0617 9.7594 9.7594 9.7599 9.7599 10.6927 10.6927 10.7052 10.7052 k = 0.2805 0.5000-0.0000 ( 3624 PWs) bands (ev): -33.9202 -33.9202 -33.9202 -33.9202 -15.3108 -15.3108 -15.2798 -15.2798 -14.9878 -14.9878 -14.8787 -14.8787 -14.8427 -14.8427 -14.7650 -14.7650 -8.9403 -8.9403 -8.9403 -8.9403 1.5418 1.5418 1.5426 1.5426 2.3494 2.3494 2.3675 2.3675 2.4358 2.4358 2.4443 2.4443 4.0190 4.0190 4.0305 4.0305 9.7396 9.7396 9.7399 9.7399 10.7539 10.7539 10.7665 10.7665 k = 0.2927 0.5000-0.0000 ( 3622 PWs) bands (ev): -33.9199 -33.9199 -33.9199 -33.9199 -15.3109 -15.3109 -15.2803 -15.2803 -14.9885 -14.9885 -14.8825 -14.8825 -14.8415 -14.8415 -14.7664 -14.7664 -8.9395 -8.9395 -8.9395 -8.9395 1.5563 1.5563 1.5569 1.5569 2.3558 2.3558 2.3721 2.3721 2.4258 2.4258 2.4327 2.4327 3.9882 3.9882 3.9996 3.9996 9.7186 9.7186 9.7187 9.7187 10.8164 10.8164 10.8291 10.8291 k = 0.3049 0.5000-0.0000 ( 3622 PWs) bands (ev): -33.9196 -33.9196 -33.9196 -33.9196 -15.3110 -15.3110 -15.2810 -15.2810 -14.9888 -14.9888 -14.8865 -14.8865 -14.8399 -14.8399 -14.7679 -14.7679 -8.9387 -8.9387 -8.9387 -8.9387 1.5692 1.5692 1.5696 1.5696 2.3550 2.3550 2.3653 2.3653 2.4296 2.4296 2.4308 2.4308 3.9579 3.9579 3.9691 3.9691 9.6965 9.6965 9.6965 9.6965 10.8798 10.8798 10.8925 10.8925 k = 0.3171 0.5000-0.0000 ( 3626 PWs) bands (ev): -33.9194 -33.9194 -33.9194 -33.9194 -15.3111 -15.3111 -15.2819 -15.2819 -14.9888 -14.9888 -14.8907 -14.8907 -14.8382 -14.8382 -14.7695 -14.7695 -8.9380 -8.9380 -8.9380 -8.9380 1.5805 1.5805 1.5806 1.5806 2.3475 2.3475 2.3525 2.3525 2.4380 2.4380 2.4418 2.4418 3.9282 3.9282 3.9393 3.9393 9.6735 9.6735 9.6737 9.6737 10.9438 10.9438 10.9565 10.9565 k = 0.3293 0.5000-0.0000 ( 3618 PWs) bands (ev): -33.9191 -33.9191 -33.9191 -33.9191 -15.3111 -15.3111 -15.2829 -15.2829 -14.9884 -14.9884 -14.8950 -14.8950 -14.8362 -14.8362 -14.7713 -14.7713 -8.9372 -8.9372 -8.9372 -8.9372 1.5898 1.5898 1.5899 1.5899 2.3373 2.3373 2.3389 2.3389 2.4502 2.4502 2.4570 2.4570 3.8995 3.8995 3.9103 3.9103 9.6501 9.6501 9.6504 9.6504 11.0079 11.0079 11.0206 11.0206 k = 0.3415 0.5000-0.0000 ( 3616 PWs) bands (ev): -33.9189 -33.9189 -33.9189 -33.9189 -15.3110 -15.3110 -15.2841 -15.2841 -14.9876 -14.9876 -14.8993 -14.8993 -14.8342 -14.8342 -14.7731 -14.7731 -8.9365 -8.9365 -8.9365 -8.9365 1.5972 1.5972 1.5977 1.5977 2.3263 2.3263 2.3268 2.3268 2.4649 2.4649 2.4733 2.4733 3.8717 3.8717 3.8823 3.8823 9.6264 9.6264 9.6268 9.6268 11.0716 11.0716 11.0841 11.0841 k = 0.3537 0.5000-0.0000 ( 3616 PWs) bands (ev): -33.9186 -33.9186 -33.9186 -33.9186 -15.3110 -15.3110 -15.2854 -15.2854 -14.9866 -14.9866 -14.9037 -14.9037 -14.8321 -14.8321 -14.7750 -14.7750 -8.9358 -8.9358 -8.9358 -8.9358 1.6030 1.6030 1.6037 1.6037 2.3154 2.3154 2.3172 2.3172 2.4806 2.4806 2.4899 2.4899 3.8451 3.8451 3.8554 3.8554 9.6029 9.6029 9.6033 9.6033 11.1343 11.1343 11.1466 11.1466 k = 0.3659 0.5000-0.0000 ( 3620 PWs) bands (ev): -33.9184 -33.9184 -33.9184 -33.9184 -15.3108 -15.3108 -15.2868 -15.2868 -14.9852 -14.9852 -14.9081 -14.9081 -14.8299 -14.8299 -14.7770 -14.7770 -8.9352 -8.9352 -8.9352 -8.9352 1.6072 1.6072 1.6081 1.6081 2.3063 2.3063 2.3089 2.3089 2.4966 2.4966 2.5064 2.5064 3.8200 3.8200 3.8297 3.8297 9.5797 9.5797 9.5803 9.5803 11.1953 11.1953 11.2073 11.2073 k = 0.3780 0.5000-0.0000 ( 3612 PWs) bands (ev): -33.9182 -33.9182 -33.9182 -33.9182 -15.3106 -15.3106 -15.2883 -15.2883 -14.9835 -14.9835 -14.9125 -14.9125 -14.8276 -14.8276 -14.7791 -14.7791 -8.9346 -8.9346 -8.9346 -8.9346 1.6100 1.6100 1.6110 1.6110 2.2989 2.2989 2.3021 2.3021 2.5126 2.5126 2.5223 2.5223 3.7963 3.7963 3.8056 3.8056 9.5573 9.5573 9.5579 9.5579 11.2539 11.2539 11.2653 11.2653 k = 0.3902 0.5000-0.0000 ( 3624 PWs) bands (ev): -33.9180 -33.9180 -33.9180 -33.9180 -15.3103 -15.3103 -15.2899 -15.2899 -14.9816 -14.9816 -14.9169 -14.9169 -14.8253 -14.8253 -14.7813 -14.7813 -8.9341 -8.9341 -8.9341 -8.9341 1.6116 1.6116 1.6127 1.6127 2.2931 2.2931 2.2966 2.2966 2.5280 2.5280 2.5376 2.5376 3.7743 3.7743 3.7830 3.7830 9.5359 9.5359 9.5365 9.5365 11.3090 11.3090 11.3198 11.3198 k = 0.4024 0.5000-0.0000 ( 3626 PWs) bands (ev): -33.9179 -33.9179 -33.9179 -33.9179 -15.3100 -15.3100 -15.2915 -15.2915 -14.9794 -14.9794 -14.9213 -14.9213 -14.8229 -14.8229 -14.7835 -14.7835 -8.9336 -8.9336 -8.9336 -8.9336 1.6123 1.6123 1.6134 1.6134 2.2887 2.2887 2.2924 2.2924 2.5427 2.5427 2.5518 2.5518 3.7542 3.7542 3.7623 3.7623 9.5159 9.5159 9.5164 9.5164 11.3598 11.3598 11.3697 11.3697 k = 0.4146 0.5000-0.0000 ( 3612 PWs) bands (ev): -33.9177 -33.9177 -33.9177 -33.9177 -15.3094 -15.3094 -15.2930 -15.2930 -14.9769 -14.9769 -14.9256 -14.9256 -14.8205 -14.8205 -14.7858 -14.7858 -8.9331 -8.9331 -8.9331 -8.9331 1.6122 1.6122 1.6133 1.6133 2.2856 2.2856 2.2892 2.2892 2.5564 2.5564 2.5649 2.5649 3.7362 3.7362 3.7435 3.7435 9.4975 9.4975 9.4980 9.4980 11.4055 11.4055 11.4144 11.4144 k = 0.4268 0.5000-0.0000 ( 3608 PWs) bands (ev): -33.9176 -33.9176 -33.9176 -33.9176 -15.3089 -15.3089 -15.2946 -15.2946 -14.9742 -14.9742 -14.9299 -14.9299 -14.8180 -14.8180 -14.7881 -14.7881 -8.9327 -8.9327 -8.9327 -8.9327 1.6116 1.6116 1.6127 1.6127 2.2835 2.2835 2.2869 2.2869 2.5689 2.5689 2.5766 2.5766 3.7203 3.7203 3.7268 3.7268 9.4810 9.4810 9.4815 9.4815 11.4452 11.4452 11.4530 11.4530 k = 0.4390 0.5000-0.0000 ( 3602 PWs) bands (ev): -33.9175 -33.9175 -33.9175 -33.9175 -15.3082 -15.3082 -15.2962 -15.2962 -14.9712 -14.9712 -14.9341 -14.9341 -14.8155 -14.8155 -14.7905 -14.7905 -8.9324 -8.9324 -8.9324 -8.9324 1.6108 1.6108 1.6117 1.6117 2.2822 2.2822 2.2852 2.2852 2.5800 2.5800 2.5867 2.5867 3.7067 3.7067 3.7122 3.7122 9.4666 9.4666 9.4670 9.4670 11.4787 11.4787 11.4852 11.4852 k = 0.4512 0.5000-0.0000 ( 3596 PWs) bands (ev): -33.9174 -33.9174 -33.9174 -33.9174 -15.3074 -15.3074 -15.2977 -15.2977 -14.9681 -14.9681 -14.9382 -14.9382 -14.8130 -14.8130 -14.7929 -14.7929 -8.9321 -8.9321 -8.9321 -8.9321 1.6098 1.6098 1.6106 1.6106 2.2815 2.2815 2.2840 2.2840 2.5895 2.5895 2.5950 2.5950 3.6955 3.6955 3.7000 3.7000 9.4545 9.4545 9.4549 9.4549 11.5057 11.5057 11.5108 11.5108 k = 0.4634 0.5000-0.0000 ( 3596 PWs) bands (ev): -33.9173 -33.9173 -33.9173 -33.9173 -15.3065 -15.3065 -15.2992 -15.2992 -14.9649 -14.9649 -14.9423 -14.9423 -14.8105 -14.8105 -14.7953 -14.7953 -8.9319 -8.9319 -8.9319 -8.9319 1.6089 1.6089 1.6095 1.6095 2.2813 2.2813 2.2832 2.2832 2.5972 2.5972 2.6015 2.6015 3.6868 3.6868 3.6903 3.6903 9.4450 9.4450 9.4452 9.4452 11.5263 11.5263 11.5302 11.5302 k = 0.4756 0.5000-0.0000 ( 3592 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3056 -15.3056 -15.3007 -15.3007 -14.9614 -14.9614 -14.9463 -14.9463 -14.8080 -14.8080 -14.7978 -14.7978 -8.9317 -8.9317 -8.9317 -8.9317 1.6082 1.6082 1.6086 1.6086 2.2813 2.2813 2.2826 2.2826 2.6031 2.6031 2.6059 2.6059 3.6807 3.6807 3.6831 3.6831 9.4380 9.4380 9.4382 9.4382 11.5409 11.5409 11.5434 11.5434 k = 0.4878 0.5000-0.0000 ( 3588 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3045 -15.3045 -15.3020 -15.3020 -14.9578 -14.9578 -14.9503 -14.9503 -14.8054 -14.8054 -14.8003 -14.8003 -8.9316 -8.9316 -8.9316 -8.9316 1.6078 1.6078 1.6080 1.6080 2.2814 2.2814 2.2821 2.2821 2.6069 2.6069 2.6084 2.6084 3.6773 3.6773 3.6785 3.6785 9.4339 9.4339 9.4340 9.4340 11.5498 11.5498 11.5510 11.5510 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9540 -14.9540 -14.9540 -14.9540 -14.8028 -14.8028 -14.8028 -14.8028 -8.9316 -8.9316 -8.9316 -8.9316 1.6077 1.6077 1.6077 1.6077 2.2817 2.2817 2.2817 2.2817 2.6087 2.6087 2.6087 2.6087 3.6766 3.6766 3.6766 3.6766 9.4325 9.4325 9.4325 9.4325 11.5532 11.5532 11.5532 11.5532 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9540 -14.9540 -14.9540 -14.9540 -14.8028 -14.8028 -14.8028 -14.8028 -8.9316 -8.9316 -8.9316 -8.9316 1.6077 1.6077 1.6077 1.6077 2.2817 2.2817 2.2817 2.2817 2.6087 2.6087 2.6087 2.6087 3.6766 3.6766 3.6766 3.6766 9.4325 9.4325 9.4325 9.4325 11.5532 11.5532 11.5532 11.5532 k = 0.4914 0.4914-0.0000 ( 3586 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3045 -15.3045 -15.3020 -15.3020 -14.9578 -14.9578 -14.9502 -14.9502 -14.8054 -14.8054 -14.8003 -14.8003 -8.9317 -8.9317 -8.9315 -8.9315 1.6076 1.6076 1.6083 1.6083 2.2812 2.2812 2.2823 2.2823 2.6060 2.6060 2.6093 2.6093 3.6767 3.6767 3.6791 3.6791 9.4328 9.4328 9.4350 9.4350 11.5493 11.5493 11.5516 11.5516 k = 0.4828 0.4828-0.0000 ( 3578 PWs) bands (ev): -33.9173 -33.9173 -33.9171 -33.9171 -15.3055 -15.3055 -15.3006 -15.3006 -14.9614 -14.9614 -14.9463 -14.9463 -14.8079 -14.8079 -14.7978 -14.7978 -8.9322 -8.9322 -8.9312 -8.9312 1.6071 1.6071 1.6098 1.6098 2.2800 2.2800 2.2838 2.2838 2.5985 2.5985 2.6106 2.6106 3.6778 3.6778 3.6861 3.6861 9.4338 9.4338 9.4425 9.4425 11.5383 11.5383 11.5465 11.5465 k = 0.4741 0.4741-0.0000 ( 3586 PWs) bands (ev): -33.9175 -33.9175 -33.9171 -33.9171 -15.3065 -15.3065 -15.2992 -15.2992 -14.9648 -14.9648 -14.9423 -14.9423 -14.8105 -14.8105 -14.7953 -14.7953 -8.9329 -8.9329 -8.9308 -8.9308 1.6065 1.6065 1.6123 1.6123 2.2780 2.2780 2.2862 2.2862 2.5861 2.5861 2.6128 2.6128 3.6794 3.6794 3.6975 3.6975 9.4354 9.4354 9.4548 9.4548 11.5203 11.5203 11.5379 11.5379 k = 0.4655 0.4655-0.0000 ( 3590 PWs) bands (ev): -33.9177 -33.9177 -33.9170 -33.9170 -15.3074 -15.3074 -15.2977 -15.2977 -14.9681 -14.9681 -14.9383 -14.9383 -14.8130 -14.8130 -14.7928 -14.7928 -8.9340 -8.9340 -8.9303 -8.9303 1.6055 1.6055 1.6159 1.6159 2.2753 2.2753 2.2896 2.2896 2.5692 2.5692 2.6158 2.6158 3.6817 3.6817 3.7132 3.7132 9.4374 9.4374 9.4718 9.4718 11.4953 11.4953 11.5263 11.5263 k = 0.4569 0.4569-0.0000 ( 3592 PWs) bands (ev): -33.9180 -33.9180 -33.9169 -33.9169 -15.3082 -15.3082 -15.2961 -15.2961 -14.9713 -14.9713 -14.9341 -14.9341 -14.8155 -14.8155 -14.7904 -14.7904 -8.9353 -8.9353 -8.9295 -8.9295 1.6043 1.6043 1.6204 1.6204 2.2719 2.2719 2.2939 2.2939 2.5481 2.5481 2.6197 2.6197 3.6847 3.6847 3.7328 3.7328 9.4398 9.4398 9.4933 9.4933 11.4637 11.4637 11.5117 11.5117 k = 0.4483 0.4483-0.0000 ( 3596 PWs) bands (ev): -33.9184 -33.9184 -33.9167 -33.9167 -15.3089 -15.3089 -15.2944 -15.2944 -14.9742 -14.9742 -14.9299 -14.9299 -14.8180 -14.8180 -14.7880 -14.7880 -8.9370 -8.9370 -8.9287 -8.9287 1.6029 1.6029 1.6260 1.6260 2.2678 2.2678 2.2992 2.2992 2.5233 2.5233 2.6245 2.6245 3.6883 3.6883 3.7559 3.7559 9.4425 9.4425 9.5191 9.5191 11.4258 11.4258 11.4944 11.4944 k = 0.4397 0.4397-0.0000 ( 3605 PWs) bands (ev): -33.9189 -33.9189 -33.9166 -33.9166 -15.3095 -15.3095 -15.2926 -15.2926 -14.9770 -14.9770 -14.9257 -14.9257 -14.8205 -14.8205 -14.7856 -14.7856 -8.9390 -8.9390 -8.9277 -8.9277 1.6014 1.6014 1.6325 1.6325 2.2632 2.2632 2.3053 2.3053 2.4952 2.4952 2.6300 2.6300 3.6925 3.6925 3.7822 3.7822 9.4452 9.4452 9.5487 9.5487 11.3821 11.3821 11.4749 11.4749 k = 0.4310 0.4310-0.0000 ( 3611 PWs) bands (ev): -33.9194 -33.9194 -33.9164 -33.9164 -15.3100 -15.3100 -15.2908 -15.2908 -14.9796 -14.9796 -14.9214 -14.9214 -14.8229 -14.8229 -14.7833 -14.7833 -8.9413 -8.9413 -8.9266 -8.9266 1.5996 1.5996 1.6401 1.6401 2.2581 2.2581 2.3124 2.3124 2.4643 2.4643 2.6364 2.6364 3.6973 3.6973 3.8113 3.8113 9.4479 9.4479 9.5818 9.5818 11.3330 11.3330 11.4533 11.4533 k = 0.4224 0.4224-0.0000 ( 3617 PWs) bands (ev): -33.9199 -33.9199 -33.9162 -33.9162 -15.3104 -15.3104 -15.2888 -15.2888 -14.9819 -14.9819 -14.9172 -14.9172 -14.8253 -14.8253 -14.7810 -14.7810 -8.9440 -8.9440 -8.9255 -8.9255 1.5977 1.5977 1.6486 1.6486 2.2525 2.2525 2.3204 2.3204 2.4312 2.4312 2.6435 2.6435 3.7027 3.7027 3.8429 3.8429 9.4504 9.4504 9.6178 9.6178 11.2790 11.2790 11.4301 11.4301 k = 0.4138 0.4138-0.0000 ( 3623 PWs) bands (ev): -33.9206 -33.9206 -33.9159 -33.9159 -15.3107 -15.3107 -15.2869 -15.2869 -14.9841 -14.9841 -14.9129 -14.9129 -14.8276 -14.8276 -14.7788 -14.7788 -8.9470 -8.9470 -8.9243 -8.9243 1.5957 1.5957 1.6582 1.6582 2.2464 2.2464 2.3289 2.3289 2.3967 2.3967 2.6514 2.6514 3.7087 3.7087 3.8766 3.8766 9.4526 9.4526 9.6563 9.6563 11.2205 11.2205 11.4057 11.4057 k = 0.4052 0.4052-0.0000 ( 3623 PWs) bands (ev): -33.9213 -33.9213 -33.9157 -33.9157 -15.3108 -15.3108 -15.2848 -15.2848 -14.9859 -14.9859 -14.9087 -14.9087 -14.8299 -14.8299 -14.7766 -14.7766 -8.9503 -8.9503 -8.9231 -8.9231 1.5935 1.5935 1.6687 1.6687 2.2397 2.2397 2.3364 2.3364 2.3631 2.3631 2.6601 2.6601 3.7152 3.7152 3.9121 3.9121 9.4544 9.4544 9.6965 9.6965 11.1582 11.1582 11.3805 11.3805 k = 0.3966 0.3966-0.0000 ( 3623 PWs) bands (ev): -33.9220 -33.9220 -33.9154 -33.9154 -15.3109 -15.3109 -15.2826 -15.2826 -14.9876 -14.9876 -14.9045 -14.9045 -14.8320 -14.8320 -14.7744 -14.7744 -8.9540 -8.9540 -8.9218 -8.9218 1.5911 1.5911 1.6802 1.6802 2.2318 2.2318 2.3202 2.3202 2.3541 2.3541 2.6695 2.6695 3.7221 3.7221 3.9492 3.9492 9.4558 9.4558 9.7378 9.7378 11.0925 11.0925 11.3549 11.3549 k = 0.3879 0.3879-0.0000 ( 3615 PWs) bands (ev): -33.9228 -33.9228 -33.9151 -33.9151 -15.3109 -15.3109 -15.2804 -15.2804 -14.9889 -14.9889 -14.9004 -14.9004 -14.8340 -14.8340 -14.7723 -14.7723 -8.9580 -8.9580 -8.9206 -8.9206 1.5883 1.5883 1.6928 1.6928 2.2215 2.2215 2.2879 2.2879 2.3642 2.3642 2.6796 2.6796 3.7295 3.7295 3.9873 3.9873 9.4567 9.4567 9.7794 9.7794 11.0240 11.0240 11.3291 11.3292 k = 0.3793 0.3793-0.0000 ( 3623 PWs) bands (ev): -33.9237 -33.9237 -33.9148 -33.9148 -15.3109 -15.3109 -15.2781 -15.2781 -14.9901 -14.9901 -14.8964 -14.8964 -14.8359 -14.8359 -14.7702 -14.7702 -8.9625 -8.9625 -8.9194 -8.9194 1.5850 1.5850 1.7062 1.7062 2.2051 2.2051 2.2606 2.2606 2.3765 2.3765 2.6903 2.6903 3.7374 3.7374 4.0264 4.0264 9.4572 9.4572 9.8204 9.8204 10.9532 10.9532 11.3037 11.3037 k = 0.3707 0.3707-0.0000 ( 3627 PWs) bands (ev): -33.9246 -33.9246 -33.9144 -33.9144 -15.3108 -15.3108 -15.2757 -15.2757 -14.9909 -14.9909 -14.8926 -14.8926 -14.8376 -14.8376 -14.7682 -14.7682 -8.9673 -8.9673 -8.9183 -8.9183 1.5810 1.5810 1.7207 1.7207 2.1791 2.1791 2.2434 2.2434 2.3900 2.3900 2.7016 2.7016 3.7455 3.7455 4.0660 4.0660 9.4574 9.4574 9.8601 9.8601 10.8806 10.8806 11.2788 11.2788 k = 0.3621 0.3621-0.0000 ( 3627 PWs) bands (ev): -33.9255 -33.9255 -33.9141 -33.9141 -15.3106 -15.3106 -15.2732 -15.2732 -14.9915 -14.9915 -14.8889 -14.8889 -14.8391 -14.8391 -14.7663 -14.7663 -8.9725 -8.9725 -8.9174 -8.9174 1.5759 1.5759 1.7361 1.7361 2.1472 2.1472 2.2337 2.2337 2.4043 2.4043 2.7135 2.7135 3.7540 3.7540 4.1060 4.1060 9.4574 9.4574 9.8975 9.8975 10.8068 10.8068 11.2547 11.2549 k = 0.3534 0.3534-0.0000 ( 3627 PWs) bands (ev): -33.9265 -33.9265 -33.9137 -33.9137 -15.3103 -15.3103 -15.2707 -15.2707 -14.9918 -14.9918 -14.8855 -14.8855 -14.8402 -14.8402 -14.7644 -14.7644 -8.9781 -8.9781 -8.9165 -8.9165 1.5693 1.5693 1.7524 1.7524 2.1141 2.1141 2.2277 2.2277 2.4196 2.4196 2.7260 2.7260 3.7627 3.7627 4.1461 4.1461 9.4573 9.4573 9.9317 9.9317 10.7322 10.7322 11.2049 11.2050 k = 0.3448 0.3448-0.0000 ( 3627 PWs) bands (ev): -33.9276 -33.9276 -33.9133 -33.9133 -15.3101 -15.3101 -15.2680 -15.2680 -14.9918 -14.9918 -14.8824 -14.8824 -14.8410 -14.8410 -14.7626 -14.7626 -8.9841 -8.9841 -8.9158 -8.9158 1.5608 1.5608 1.7697 1.7697 2.0823 2.0823 2.2237 2.2237 2.4357 2.4357 2.7389 2.7389 3.7715 3.7715 4.1859 4.1859 9.4574 9.4574 9.9621 9.9621 10.6574 10.6574 11.1328 11.1328 k = 0.3362 0.3362-0.0000 ( 3623 PWs) bands (ev): -33.9286 -33.9286 -33.9129 -33.9129 -15.3098 -15.3098 -15.2653 -15.2653 -14.9916 -14.9916 -14.8798 -14.8798 -14.8414 -14.8414 -14.7608 -14.7608 -8.9905 -8.9905 -8.9152 -8.9152 1.5497 1.5497 1.7879 1.7879 2.0535 2.0535 2.2211 2.2211 2.4527 2.4527 2.7523 2.7523 3.7805 3.7805 4.2253 4.2253 9.4579 9.4579 9.9880 9.9880 10.5830 10.5830 11.0603 11.0603 k = 0.3276 0.3276-0.0000 ( 3619 PWs) bands (ev): -33.9297 -33.9297 -33.9125 -33.9125 -15.3094 -15.3094 -15.2624 -15.2624 -14.9910 -14.9910 -14.8777 -14.8777 -14.8411 -14.8411 -14.7592 -14.7592 -8.9973 -8.9973 -8.9149 -8.9149 1.5355 1.5355 1.8070 1.8070 2.0288 2.0288 2.2198 2.2198 2.4704 2.4704 2.7661 2.7661 3.7896 3.7896 4.2639 4.2639 9.4589 9.4589 10.0089 10.0089 10.5095 10.5095 10.9878 10.9878 k = 0.3190 0.3190-0.0000 ( 3615 PWs) bands (ev): -33.9309 -33.9309 -33.9120 -33.9120 -15.3090 -15.3090 -15.2595 -15.2595 -14.9902 -14.9902 -14.8762 -14.8762 -14.8403 -14.8403 -14.7575 -14.7575 -9.0045 -9.0045 -8.9147 -8.9147 1.5176 1.5176 1.8269 1.8269 2.0089 2.0089 2.2197 2.2197 2.4889 2.4889 2.7802 2.7802 3.7985 3.7985 4.3014 4.3014 9.4609 9.4609 10.0243 10.0243 10.4375 10.4375 10.9156 10.9156 k = 0.3103 0.3103-0.0000 ( 3627 PWs) bands (ev): -33.9321 -33.9321 -33.9116 -33.9116 -15.3087 -15.3087 -15.2565 -15.2565 -14.9892 -14.9892 -14.8754 -14.8754 -14.8388 -14.8388 -14.7560 -14.7560 -9.0122 -9.0122 -8.9148 -8.9148 1.4958 1.4958 1.8477 1.8477 1.9946 1.9946 2.2207 2.2207 2.5081 2.5081 2.7946 2.7946 3.8073 3.8073 4.3377 4.3377 9.4640 9.4640 10.0338 10.0338 10.3680 10.3680 10.8438 10.8438 k = 0.3017 0.3017-0.0000 ( 3631 PWs) bands (ev): -33.9333 -33.9333 -33.9111 -33.9111 -15.3084 -15.3084 -15.2533 -15.2533 -14.9879 -14.9879 -14.8751 -14.8751 -14.8367 -14.8367 -14.7546 -14.7546 -9.0202 -9.0202 -8.9151 -8.9151 1.4702 1.4702 1.8693 1.8693 1.9861 1.9861 2.2230 2.2230 2.5280 2.5280 2.8092 2.8092 3.8159 3.8159 4.3724 4.3724 9.4686 9.4686 10.0366 10.0366 10.3023 10.3023 10.7728 10.7728 k = 0.2931 0.2931-0.0000 ( 3627 PWs) bands (ev): -33.9345 -33.9345 -33.9107 -33.9107 -15.3080 -15.3080 -15.2500 -15.2500 -14.9863 -14.9863 -14.8752 -14.8752 -14.8341 -14.8341 -14.7532 -14.7532 -9.0286 -9.0286 -8.9157 -8.9157 1.4409 1.4409 1.8917 1.8917 1.9835 1.9835 2.2265 2.2265 2.5486 2.5486 2.8239 2.8239 3.8242 3.8242 4.4052 4.4052 9.4748 9.4748 10.0314 10.0314 10.2425 10.2425 10.7029 10.7029 k = 0.2845 0.2845-0.0000 ( 3635 PWs) bands (ev): -33.9357 -33.9357 -33.9102 -33.9102 -15.3077 -15.3077 -15.2466 -15.2466 -14.9845 -14.9845 -14.8758 -14.8758 -14.8312 -14.8312 -14.7519 -14.7519 -9.0373 -9.0373 -8.9166 -8.9166 1.4085 1.4085 1.9147 1.9147 1.9864 1.9864 2.2312 2.2312 2.5698 2.5698 2.8388 2.8388 3.8320 3.8320 4.4360 4.4360 9.4830 9.4830 10.0158 10.0158 10.1917 10.1917 10.6341 10.6341 k = 0.2759 0.2759-0.0000 ( 3637 PWs) bands (ev): -33.9370 -33.9370 -33.9098 -33.9098 -15.3074 -15.3074 -15.2431 -15.2431 -14.9825 -14.9825 -14.8766 -14.8766 -14.8280 -14.8280 -14.7506 -14.7506 -9.0465 -9.0465 -8.9177 -8.9177 1.3735 1.3735 1.9383 1.9383 1.9946 1.9946 2.2372 2.2372 2.5915 2.5915 2.8536 2.8536 3.8393 3.8393 4.4644 4.4644 9.4934 9.4934 9.9875 9.9875 10.1531 10.1531 10.5669 10.5669 k = 0.2672 0.2672-0.0000 ( 3629 PWs) bands (ev): -33.9382 -33.9382 -33.9093 -33.9093 -15.3071 -15.3071 -15.2394 -15.2394 -14.9803 -14.9803 -14.8776 -14.8776 -14.8245 -14.8245 -14.7494 -14.7494 -9.0560 -9.0560 -8.9191 -8.9191 1.3366 1.3366 1.9623 1.9623 2.0077 2.0077 2.2444 2.2444 2.6139 2.6139 2.8684 2.8684 3.8461 3.8461 4.4902 4.4902 9.5063 9.5063 9.9476 9.9476 10.1264 10.1264 10.5014 10.5014 k = 0.2586 0.2586-0.0000 ( 3625 PWs) bands (ev): -33.9395 -33.9395 -33.9088 -33.9088 -15.3068 -15.3068 -15.2356 -15.2356 -14.9780 -14.9780 -14.8786 -14.8786 -14.8210 -14.8210 -14.7483 -14.7483 -9.0658 -9.0658 -8.9208 -8.9208 1.2983 1.2983 1.9869 1.9869 2.0253 2.0253 2.2530 2.2530 2.6367 2.6367 2.8830 2.8830 3.8520 3.8520 4.5133 4.5133 9.5217 9.5217 9.9007 9.9007 10.1077 10.1077 10.4378 10.4378 k = 0.2500 0.2500-0.0000 ( 3627 PWs) bands (ev): -33.9408 -33.9408 -33.9083 -33.9083 -15.3065 -15.3065 -15.2318 -15.2318 -14.9755 -14.9755 -14.8798 -14.8798 -14.8174 -14.8174 -14.7472 -14.7472 -9.0759 -9.0759 -8.9227 -8.9227 1.2592 1.2592 2.0121 2.0121 2.0466 2.0466 2.2628 2.2628 2.6599 2.6599 2.8974 2.8974 3.8571 3.8571 4.5334 4.5334 9.5400 9.5400 9.8513 9.8513 10.0934 10.0934 10.3765 10.3765 k = 0.2414 0.2414-0.0000 ( 3617 PWs) bands (ev): -33.9421 -33.9421 -33.9079 -33.9079 -15.3062 -15.3062 -15.2278 -15.2278 -14.9728 -14.9728 -14.8809 -14.8809 -14.8138 -14.8138 -14.7461 -14.7461 -9.0863 -9.0863 -8.9249 -8.9249 1.2197 1.2197 2.0384 2.0384 2.0710 2.0710 2.2739 2.2739 2.6835 2.6835 2.9115 2.9115 3.8612 3.8612 4.5503 4.5503 9.5612 9.5612 9.8023 9.8023 10.0813 10.0813 10.3176 10.3176 k = 0.2328 0.2328-0.0000 ( 3613 PWs) bands (ev): -33.9433 -33.9433 -33.9074 -33.9074 -15.3059 -15.3059 -15.2237 -15.2237 -14.9701 -14.9701 -14.8821 -14.8821 -14.8101 -14.8101 -14.7451 -14.7451 -9.0969 -9.0969 -8.9274 -8.9274 1.1801 1.1801 2.0662 2.0662 2.0978 2.0978 2.2862 2.2862 2.7075 2.7075 2.9252 2.9252 3.8642 3.8642 4.5639 4.5639 9.5854 9.5854 9.7550 9.7550 10.0705 10.0705 10.2613 10.2613 k = 0.2241 0.2241-0.0000 ( 3617 PWs) bands (ev): -33.9446 -33.9446 -33.9069 -33.9069 -15.3057 -15.3057 -15.2196 -15.2196 -14.9674 -14.9674 -14.8832 -14.8832 -14.8066 -14.8066 -14.7441 -14.7441 -9.1078 -9.1078 -8.9301 -8.9301 1.1407 1.1407 2.0956 2.0956 2.1266 2.1266 2.2997 2.2997 2.7316 2.7316 2.9384 2.9384 3.8660 3.8660 4.5740 4.5740 9.6127 9.6127 9.7104 9.7104 10.0606 10.0606 10.2079 10.2079 k = 0.2155 0.2155-0.0000 ( 3621 PWs) bands (ev): -33.9459 -33.9459 -33.9065 -33.9065 -15.3055 -15.3055 -15.2154 -15.2154 -14.9646 -14.9646 -14.8842 -14.8842 -14.8031 -14.8031 -14.7432 -14.7432 -9.1188 -9.1188 -8.9330 -8.9330 1.1018 1.1018 2.1267 2.1267 2.1571 2.1571 2.3144 2.3144 2.7560 2.7560 2.9510 2.9510 3.8665 3.8665 4.5805 4.5805 9.6429 9.6429 9.6694 9.6694 10.0516 10.0516 10.1575 10.1575 k = 0.2069 0.2069-0.0000 ( 3609 PWs) bands (ev): -33.9471 -33.9471 -33.9060 -33.9060 -15.3052 -15.3052 -15.2111 -15.2111 -14.9619 -14.9619 -14.8851 -14.8851 -14.7996 -14.7996 -14.7421 -14.7421 -9.1300 -9.1300 -8.9361 -8.9361 1.0636 1.0636 2.1595 2.1595 2.1891 2.1891 2.3303 2.3303 2.7804 2.7804 2.9630 2.9630 3.8657 3.8657 4.5834 4.5834 9.6312 9.6312 9.6771 9.6771 10.0435 10.0435 10.1104 10.1104 k = 0.1983 0.1983-0.0000 ( 3601 PWs) bands (ev): -33.9483 -33.9483 -33.9055 -33.9055 -15.3050 -15.3050 -15.2067 -15.2067 -14.9592 -14.9592 -14.8859 -14.8859 -14.7964 -14.7964 -14.7411 -14.7411 -9.1412 -9.1412 -8.9394 -8.9394 1.0262 1.0262 2.1936 2.1936 2.2227 2.2227 2.3473 2.3473 2.8049 2.8049 2.9743 2.9743 3.8633 3.8633 4.5827 4.5827 9.5977 9.5977 9.7137 9.7137 10.0362 10.0362 10.0665 10.0665 k = 0.1897 0.1897-0.0000 ( 3595 PWs) bands (ev): -33.9495 -33.9495 -33.9051 -33.9051 -15.3048 -15.3048 -15.2023 -15.2023 -14.9567 -14.9567 -14.8866 -14.8866 -14.7933 -14.7933 -14.7400 -14.7400 -9.1526 -9.1526 -8.9428 -8.9428 0.9898 0.9898 2.2286 2.2286 2.2581 2.2581 2.3655 2.3655 2.8292 2.8292 2.9848 2.9848 3.8594 3.8594 4.5782 4.5782 9.5684 9.5684 9.7533 9.7533 10.0262 10.0262 10.0299 10.0299 k = 0.1810 0.1810-0.0000 ( 3605 PWs) bands (ev): -33.9507 -33.9507 -33.9047 -33.9047 -15.3046 -15.3046 -15.1979 -15.1979 -14.9544 -14.9544 -14.8871 -14.8871 -14.7904 -14.7904 -14.7388 -14.7388 -9.1639 -9.1639 -8.9464 -8.9464 0.9545 0.9545 2.2642 2.2642 2.2955 2.2955 2.3848 2.3848 2.8534 2.8534 2.9944 2.9944 3.8538 3.8538 4.5700 4.5700 9.5434 9.5434 9.7956 9.7956 9.9895 9.9895 10.0244 10.0244 k = 0.1724 0.1724-0.0000 ( 3601 PWs) bands (ev): -33.9518 -33.9518 -33.9042 -33.9042 -15.3044 -15.3044 -15.1935 -15.1935 -14.9522 -14.9522 -14.8874 -14.8874 -14.7878 -14.7878 -14.7375 -14.7375 -9.1752 -9.1752 -8.9501 -8.9501 0.9204 0.9204 2.2998 2.2998 2.3349 2.3349 2.4054 2.4054 2.8771 2.8771 3.0032 3.0032 3.8466 3.8466 4.5583 4.5583 9.5230 9.5230 9.8406 9.8406 9.9565 9.9565 10.0200 10.0200 k = 0.1638 0.1638-0.0000 ( 3601 PWs) bands (ev): -33.9530 -33.9530 -33.9038 -33.9038 -15.3042 -15.3042 -15.1891 -15.1891 -14.9503 -14.9503 -14.8874 -14.8874 -14.7854 -14.7854 -14.7361 -14.7361 -9.1864 -9.1864 -8.9539 -8.9539 0.8877 0.8877 2.3353 2.3353 2.3761 2.3761 2.4275 2.4275 2.9004 2.9004 3.0111 3.0111 3.8376 3.8376 4.5430 4.5430 9.5073 9.5073 9.8879 9.8879 9.9272 9.9272 10.0164 10.0164 k = 0.1552 0.1552-0.0000 ( 3601 PWs) bands (ev): -33.9540 -33.9540 -33.9034 -33.9034 -15.3040 -15.3040 -15.1847 -15.1847 -14.9487 -14.9487 -14.8872 -14.8872 -14.7833 -14.7833 -14.7346 -14.7346 -9.1974 -9.1974 -8.9577 -8.9577 0.8563 0.8563 2.3704 2.3704 2.4182 2.4182 2.4518 2.4518 2.9229 2.9229 3.0182 3.0182 3.8269 3.8269 4.5242 4.5242 9.4964 9.4964 9.9012 9.9012 9.9377 9.9377 10.0119 10.0119 k = 0.1466 0.1466-0.0000 ( 3595 PWs) bands (ev): -33.9551 -33.9551 -33.9030 -33.9030 -15.3038 -15.3038 -15.1803 -15.1803 -14.9474 -14.9474 -14.8868 -14.8868 -14.7814 -14.7814 -14.7329 -14.7329 -9.2083 -9.2083 -8.9615 -8.9615 0.8263 0.8263 2.4050 2.4050 2.4577 2.4577 2.4819 2.4819 2.9442 2.9442 3.0248 3.0248 3.8145 3.8145 4.5022 4.5022 9.4902 9.4902 9.8793 9.8793 9.9543 9.9543 9.9891 9.9891 k = 0.1379 0.1379-0.0000 ( 3587 PWs) bands (ev): -33.9561 -33.9561 -33.9027 -33.9027 -15.3036 -15.3036 -15.1760 -15.1760 -14.9464 -14.9464 -14.8861 -14.8861 -14.7799 -14.7799 -14.7310 -14.7310 -9.2189 -9.2189 -8.9653 -8.9653 0.7978 0.7978 2.4387 2.4387 2.4901 2.4901 2.5221 2.5221 2.9638 2.9638 3.0313 3.0313 3.8003 3.8003 4.4770 4.4770 9.4889 9.4889 9.8609 9.8609 9.8971 9.8971 10.0112 10.0112 k = 0.1293 0.1293-0.0000 ( 3591 PWs) bands (ev): -33.9570 -33.9570 -33.9023 -33.9023 -15.3034 -15.3034 -15.1718 -15.1718 -14.9458 -14.9458 -14.8851 -14.8851 -14.7787 -14.7787 -14.7291 -14.7291 -9.2292 -9.2292 -8.9691 -8.9691 0.7709 0.7709 2.4710 2.4710 2.5195 2.5195 2.5686 2.5686 2.9807 2.9807 3.0387 3.0387 3.7845 3.7845 4.4489 4.4489 9.4923 9.4923 9.8405 9.8405 9.8472 9.8472 10.0111 10.0111 k = 0.1207 0.1207-0.0000 ( 3595 PWs) bands (ev): -33.9579 -33.9579 -33.9020 -33.9020 -15.3033 -15.3033 -15.1676 -15.1676 -14.9454 -14.9454 -14.8841 -14.8841 -14.7777 -14.7777 -14.7270 -14.7270 -9.2391 -9.2391 -8.9728 -8.9728 0.7456 0.7456 2.5014 2.5014 2.5497 2.5497 2.6174 2.6174 2.9934 2.9934 3.0481 3.0481 3.7671 3.7671 4.4180 4.4180 9.5005 9.5005 9.7885 9.7885 9.8347 9.8347 10.0115 10.0115 k = 0.1121 0.1121-0.0000 ( 3589 PWs) bands (ev): -33.9588 -33.9588 -33.9017 -33.9017 -15.3031 -15.3031 -15.1636 -15.1636 -14.9454 -14.9454 -14.8827 -14.8827 -14.7770 -14.7770 -14.7249 -14.7249 -9.2486 -9.2486 -8.9764 -8.9764 0.7219 0.7219 2.5300 2.5300 2.5816 2.5816 2.6674 2.6674 3.0011 3.0011 3.0605 3.0605 3.7483 3.7483 4.3847 4.3847 9.5132 9.5132 9.7383 9.7383 9.8262 9.8262 10.0124 10.0124 k = 0.1034 0.1034-0.0000 ( 3593 PWs) bands (ev): -33.9596 -33.9596 -33.9014 -33.9014 -15.3029 -15.3029 -15.1597 -15.1597 -14.9455 -14.9455 -14.8813 -14.8813 -14.7765 -14.7765 -14.7228 -14.7228 -9.2577 -9.2577 -8.9799 -8.9799 0.6998 0.6998 2.5569 2.5569 2.6148 2.6148 2.7179 2.7179 3.0044 3.0044 3.0750 3.0750 3.7281 3.7281 4.3493 4.3493 9.5303 9.5303 9.6908 9.6908 9.8205 9.8205 10.0136 10.0136 k = 0.0948 0.0948-0.0000 ( 3593 PWs) bands (ev): -33.9603 -33.9603 -33.9011 -33.9011 -15.3027 -15.3027 -15.1560 -15.1560 -14.9459 -14.9459 -14.8798 -14.8798 -14.7762 -14.7762 -14.7207 -14.7207 -9.2662 -9.2662 -8.9832 -8.9832 0.6795 0.6795 2.5827 2.5827 2.6487 2.6487 2.7684 2.7684 3.0047 3.0047 3.0906 3.0906 3.7068 3.7068 4.3121 4.3121 9.5515 9.5515 9.6463 9.6463 9.8175 9.8175 10.0151 10.0151 k = 0.0862 0.0862-0.0000 ( 3593 PWs) bands (ev): -33.9610 -33.9610 -33.9009 -33.9009 -15.3026 -15.3026 -15.1525 -15.1525 -14.9464 -14.9464 -14.8783 -14.8783 -14.7760 -14.7760 -14.7186 -14.7186 -9.2742 -9.2742 -8.9863 -8.9863 0.6608 0.6608 2.6077 2.6077 2.6826 2.6826 2.8182 2.8182 3.0032 3.0032 3.1063 3.1063 3.6846 3.6846 4.2735 4.2735 9.5764 9.5764 9.6052 9.6052 9.8168 9.8168 10.0167 10.0167 k = 0.0776 0.0776-0.0000 ( 3593 PWs) bands (ev): -33.9616 -33.9616 -33.9006 -33.9006 -15.3025 -15.3025 -15.1492 -15.1492 -14.9471 -14.9471 -14.8768 -14.8768 -14.7759 -14.7759 -14.7166 -14.7166 -9.2815 -9.2815 -8.9892 -8.9892 0.6438 0.6438 2.6319 2.6319 2.7159 2.7159 2.8662 2.8662 3.0010 3.0010 3.1216 3.1216 3.6618 3.6618 4.2339 4.2339 9.5670 9.5670 9.6050 9.6050 9.8180 9.8180 10.0181 10.0181 k = 0.0690 0.0690-0.0000 ( 3597 PWs) bands (ev): -33.9622 -33.9622 -33.9004 -33.9004 -15.3023 -15.3023 -15.1462 -15.1462 -14.9478 -14.9478 -14.8753 -14.8753 -14.7760 -14.7760 -14.7147 -14.7147 -9.2883 -9.2883 -8.9919 -8.9919 0.6286 0.6286 2.6555 2.6555 2.7481 2.7481 2.9098 2.9098 3.0005 3.0005 3.1361 3.1361 3.6388 3.6388 4.1940 4.1940 9.5327 9.5327 9.6360 9.6360 9.8206 9.8206 10.0192 10.0192 k = 0.0603 0.0603-0.0000 ( 3589 PWs) bands (ev): -33.9627 -33.9627 -33.9003 -33.9003 -15.3022 -15.3022 -15.1433 -15.1433 -14.9485 -14.9485 -14.8739 -14.8739 -14.7760 -14.7760 -14.7129 -14.7129 -9.2943 -9.2943 -8.9943 -8.9943 0.6152 0.6152 2.6784 2.6784 2.7786 2.7786 2.9418 2.9418 3.0085 3.0085 3.1499 3.1499 3.6160 3.6160 4.1544 4.1544 9.5020 9.5020 9.6691 9.6691 9.8244 9.8244 10.0198 10.0198 k = 0.0517 0.0517-0.0000 ( 3587 PWs) bands (ev): -33.9631 -33.9631 -33.9001 -33.9001 -15.3021 -15.3021 -15.1409 -15.1409 -14.9492 -14.9492 -14.8726 -14.8726 -14.7761 -14.7761 -14.7113 -14.7113 -9.2996 -9.2996 -8.9964 -8.9964 0.6035 0.6035 2.7005 2.7005 2.8064 2.8064 2.9536 2.9536 3.0332 3.0332 3.1630 3.1630 3.5939 3.5939 4.1160 4.1160 9.4751 9.4751 9.7034 9.7034 9.8289 9.8289 10.0196 10.0196 k = 0.0431 0.0431-0.0000 ( 3595 PWs) bands (ev): -33.9635 -33.9635 -33.9000 -33.9000 -15.3020 -15.3020 -15.1387 -15.1387 -14.9499 -14.9499 -14.8715 -14.8715 -14.7763 -14.7763 -14.7100 -14.7100 -9.3041 -9.3041 -8.9983 -8.9983 0.5936 0.5936 2.7214 2.7214 2.8306 2.8306 2.9532 2.9532 3.0658 3.0658 3.1756 3.1756 3.5731 3.5731 4.0797 4.0797 9.4521 9.4521 9.7376 9.7376 9.8335 9.8335 10.0185 10.0185 k = 0.0345 0.0345-0.0000 ( 3599 PWs) bands (ev): -33.9638 -33.9638 -33.8998 -33.8998 -15.3020 -15.3020 -15.1370 -15.1370 -14.9505 -14.9505 -14.8706 -14.8706 -14.7765 -14.7765 -14.7089 -14.7089 -9.3079 -9.3079 -8.9998 -8.9998 0.5855 0.5855 2.7410 2.7410 2.8496 2.8496 2.9502 2.9502 3.0964 3.0964 3.1881 3.1881 3.5545 3.5545 4.0467 4.0467 9.4331 9.4331 9.7704 9.7704 9.8381 9.8381 10.0164 10.0164 k = 0.0259 0.0259-0.0000 ( 3609 PWs) bands (ev): -33.9641 -33.9641 -33.8998 -33.8998 -15.3019 -15.3019 -15.1356 -15.1356 -14.9510 -14.9510 -14.8698 -14.8698 -14.7767 -14.7767 -14.7080 -14.7080 -9.3108 -9.3108 -9.0010 -9.0010 0.5792 0.5792 2.7586 2.7586 2.8620 2.8620 2.9482 2.9482 3.1206 3.1206 3.2008 3.2008 3.5386 3.5386 4.0186 4.0186 9.4183 9.4183 9.7997 9.7997 9.8423 9.8423 10.0133 10.0133 k = 0.0172 0.0172-0.0000 ( 3615 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3019 -15.3019 -15.1345 -15.1345 -14.9514 -14.9514 -14.8693 -14.8693 -14.7768 -14.7768 -14.7074 -14.7074 -9.3129 -9.3129 -9.0018 -9.0018 0.5747 0.5747 2.7733 2.7733 2.8674 2.8674 2.9486 2.9486 3.1370 3.1370 3.2125 3.2125 3.5266 3.5266 3.9970 3.9970 9.4076 9.4076 9.8231 9.8231 9.8463 9.8463 10.0098 10.0098 k = 0.0086 0.0086-0.0000 ( 3619 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1339 -15.1339 -14.9517 -14.9517 -14.8690 -14.8690 -14.7769 -14.7769 -14.7070 -14.7070 -9.3142 -9.3142 -9.0024 -9.0024 0.5720 0.5720 2.7834 2.7834 2.8682 2.8682 2.9503 2.9503 3.1462 3.1462 3.2212 3.2212 3.5189 3.5189 3.9832 3.9832 9.4012 9.4012 9.8369 9.8369 9.8506 9.8506 10.0067 10.0067 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1337 -15.1337 -14.9517 -14.9517 -14.8689 -14.8689 -14.7769 -14.7769 -14.7068 -14.7068 -9.3146 -9.3146 -9.0025 -9.0025 0.5711 0.5711 2.7871 2.7871 2.8679 2.8679 2.9511 2.9511 3.1491 3.1491 3.2244 3.2244 3.5164 3.5164 3.9785 3.9785 9.3991 9.3991 9.8406 9.8406 9.8534 9.8534 10.0054 10.0054 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1337 -15.1337 -14.9517 -14.9517 -14.8689 -14.8689 -14.7769 -14.7769 -14.7068 -14.7068 -9.3146 -9.3146 -9.0025 -9.0025 0.5711 0.5711 2.7871 2.7871 2.8679 2.8679 2.9511 2.9511 3.1491 3.1491 3.2244 3.2244 3.5164 3.5164 3.9785 3.9785 9.3991 9.3991 9.8406 9.8406 9.8534 9.8534 10.0054 10.0054 k = 0.0000 0.0000 0.0122 ( 3620 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3019 -15.3019 -15.1337 -15.1337 -14.9517 -14.9517 -14.8689 -14.8689 -14.7769 -14.7769 -14.7068 -14.7068 -9.3143 -9.3143 -9.0028 -9.0028 0.5719 0.5719 2.7804 2.7804 2.8680 2.8680 2.9508 2.9508 3.1490 3.1490 3.2246 3.2246 3.5164 3.5164 3.9852 3.9852 9.3982 9.3982 9.8409 9.8409 9.8537 9.8537 10.0067 10.0067 k = 0.0000 0.0000 0.0244 ( 3616 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3018 -15.3018 -15.1338 -15.1338 -14.9517 -14.9517 -14.8688 -14.8688 -14.7769 -14.7769 -14.7068 -14.7068 -9.3133 -9.3133 -9.0037 -9.0037 0.5744 0.5744 2.7608 2.7608 2.8681 2.8681 2.9500 2.9500 3.1489 3.1489 3.2254 3.2254 3.5165 3.5165 4.0050 4.0050 9.3956 9.3956 9.8417 9.8417 9.8544 9.8544 10.0104 10.0104 k = 0.0000 0.0000 0.0366 ( 3608 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3018 -15.3018 -15.1338 -15.1338 -14.9516 -14.9516 -14.8688 -14.8688 -14.7770 -14.7770 -14.7068 -14.7068 -9.3117 -9.3117 -9.0051 -9.0051 0.5785 0.5785 2.7300 2.7300 2.8677 2.8677 2.9487 2.9487 3.1490 3.1490 3.2268 3.2268 3.5166 3.5166 4.0364 4.0364 9.3913 9.3913 9.8429 9.8429 9.8557 9.8557 10.0160 10.0160 k = 0.0000 0.0000 0.0488 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3017 -15.3017 -15.1339 -15.1339 -14.9516 -14.9516 -14.8688 -14.8688 -14.7771 -14.7771 -14.7068 -14.7068 -9.3095 -9.3095 -9.0070 -9.0070 0.5842 0.5842 2.6899 2.6899 2.8666 2.8666 2.9469 2.9469 3.1494 3.1494 3.2286 3.2286 3.5169 3.5169 4.0773 4.0773 9.3855 9.3855 9.8446 9.8446 9.8574 9.8574 10.0227 10.0227 k = 0.0000 0.0000 0.0610 ( 3600 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3016 -15.3016 -15.1340 -15.1340 -14.9515 -14.9515 -14.8688 -14.8688 -14.7773 -14.7773 -14.7068 -14.7068 -9.3067 -9.3067 -9.0095 -9.0095 0.5915 0.5915 2.6424 2.6424 2.8650 2.8650 2.9447 2.9447 3.1503 3.1503 3.2308 3.2308 3.5171 3.5171 4.1257 4.1257 9.3783 9.3783 9.8469 9.8469 9.8596 9.8596 10.0294 10.0294 k = 0.0000 0.0000 0.0732 ( 3604 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3016 -15.3016 -15.1341 -15.1341 -14.9514 -14.9514 -14.8688 -14.8688 -14.7774 -14.7774 -14.7068 -14.7068 -9.3033 -9.3033 -9.0125 -9.0125 0.6004 0.6004 2.5893 2.5893 2.8628 2.8628 2.9421 2.9421 3.1517 3.1517 3.2334 3.2334 3.5175 3.5175 4.1796 4.1796 9.3698 9.3698 9.8494 9.8494 9.8621 9.8621 10.0342 10.0342 k = 0.0000 0.0000 0.0854 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3015 -15.3015 -15.1343 -15.1343 -14.9513 -14.9513 -14.8688 -14.8688 -14.7776 -14.7776 -14.7068 -14.7068 -9.2994 -9.2994 -9.0160 -9.0160 0.6107 0.6107 2.5322 2.5322 2.8603 2.8603 2.9392 2.9392 3.1536 3.1536 3.2363 3.2363 3.5178 3.5178 4.2373 4.2373 9.3602 9.3602 9.8523 9.8523 9.8650 9.8650 10.0350 10.0350 k = 0.0000 0.0000 0.0976 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3014 -15.3014 -15.1345 -15.1345 -14.9512 -14.9512 -14.8687 -14.8687 -14.7778 -14.7778 -14.7069 -14.7069 -9.2949 -9.2949 -9.0200 -9.0200 0.6225 0.6225 2.4725 2.4725 2.8574 2.8574 2.9361 2.9361 3.1559 3.1559 3.2394 3.2394 3.5182 3.5182 4.2972 4.2972 9.3498 9.3498 9.8555 9.8555 9.8682 9.8682 10.0297 10.0297 k = 0.0000 0.0000 0.1098 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3013 -15.3013 -15.1347 -15.1347 -14.9511 -14.9511 -14.8687 -14.8687 -14.7781 -14.7781 -14.7069 -14.7069 -9.2900 -9.2900 -9.0244 -9.0244 0.6356 0.6356 2.4114 2.4114 2.8543 2.8543 2.9329 2.9329 3.1584 3.1584 3.2426 3.2426 3.5187 3.5187 4.3580 4.3580 9.3388 9.3388 9.8590 9.8590 9.8716 9.8716 10.0169 10.0169 k = 0.0000 0.0000 0.1220 ( 3624 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3012 -15.3012 -15.1349 -15.1349 -14.9510 -14.9510 -14.8687 -14.8687 -14.7783 -14.7783 -14.7069 -14.7069 -9.2846 -9.2846 -9.0292 -9.0292 0.6500 0.6500 2.3498 2.3498 2.8512 2.8512 2.9295 2.9295 3.1612 3.1612 3.2460 3.2460 3.5191 3.5191 4.4187 4.4187 9.3273 9.3273 9.8627 9.8627 9.8753 9.8753 9.9966 9.9966 k = 0.0000 0.0000 0.1342 ( 3632 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3011 -15.3011 -15.1351 -15.1351 -14.9510 -14.9510 -14.8687 -14.8687 -14.7786 -14.7786 -14.7069 -14.7069 -9.2788 -9.2788 -9.0344 -9.0344 0.6654 0.6654 2.2886 2.2886 2.8479 2.8479 2.9261 2.9261 3.1641 3.1641 3.2494 3.2494 3.5196 3.5196 4.4784 4.4784 9.3157 9.3157 9.8665 9.8665 9.8790 9.8790 9.9703 9.9703 k = 0.0000 0.0000 0.1464 ( 3624 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3010 -15.3010 -15.1353 -15.1353 -14.9508 -14.9508 -14.8687 -14.8687 -14.7788 -14.7788 -14.7069 -14.7069 -9.2727 -9.2727 -9.0399 -9.0399 0.6818 0.6818 2.2285 2.2285 2.8447 2.8447 2.9228 2.9228 3.1670 3.1670 3.2527 3.2527 3.5201 3.5201 4.5362 4.5362 9.3042 9.3042 9.8704 9.8704 9.8829 9.8829 9.9400 9.9400 k = 0.0000 0.0000 0.1586 ( 3616 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3009 -15.3009 -15.1355 -15.1355 -14.9507 -14.9507 -14.8686 -14.8686 -14.7790 -14.7790 -14.7069 -14.7069 -9.2664 -9.2664 -9.0456 -9.0456 0.6989 0.6989 2.1703 2.1703 2.8416 2.8416 2.9195 2.9195 3.1699 3.1699 3.2560 3.2560 3.5206 3.5206 4.5915 4.5915 9.2928 9.2928 9.8742 9.8742 9.8867 9.8867 9.9076 9.9076 k = 0.0000 0.0000 0.1708 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3007 -15.3007 -15.1357 -15.1357 -14.9505 -14.9505 -14.8686 -14.8686 -14.7792 -14.7792 -14.7069 -14.7069 -9.2599 -9.2599 -9.0516 -9.0516 0.7165 0.7165 2.1147 2.1147 2.8386 2.8386 2.9164 2.9164 3.1726 3.1726 3.2591 3.2591 3.5211 3.5211 4.6435 4.6435 9.2819 9.2819 9.8743 9.8743 9.8783 9.8783 9.8904 9.8904 k = 0.0000 0.0000 0.1830 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3006 -15.3006 -15.1359 -15.1359 -14.9504 -14.9504 -14.8686 -14.8686 -14.7795 -14.7795 -14.7069 -14.7069 -9.2534 -9.2534 -9.0576 -9.0576 0.7342 0.7342 2.0621 2.0621 2.8358 2.8358 2.9135 2.9135 3.1753 3.1753 3.2620 3.2620 3.5215 3.5215 4.6918 4.6918 9.2717 9.2717 9.8425 9.8425 9.8816 9.8816 9.8940 9.8940 k = 0.0000 0.0000 0.1952 ( 3612 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3005 -15.3005 -15.1360 -15.1360 -14.9503 -14.9503 -14.8686 -14.8686 -14.7797 -14.7797 -14.7069 -14.7069 -9.2469 -9.2469 -9.0636 -9.0636 0.7517 0.7517 2.0133 2.0133 2.8333 2.8333 2.9109 2.9109 3.1777 3.1777 3.2646 3.2646 3.5219 3.5219 4.7357 4.7357 9.2622 9.2622 9.8123 9.8123 9.8849 9.8849 9.8973 9.8973 k = 0.0000 0.0000 0.2074 ( 3616 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3004 -15.3004 -15.1362 -15.1362 -14.9502 -14.9502 -14.8685 -14.8685 -14.7799 -14.7799 -14.7070 -14.7070 -9.2406 -9.2406 -9.0694 -9.0694 0.7684 0.7684 1.9690 1.9690 2.8310 2.8310 2.9085 2.9085 3.1799 3.1799 3.2670 3.2670 3.5223 3.5223 4.7747 4.7747 9.2537 9.2537 9.7847 9.7847 9.8879 9.8879 9.9002 9.9002 k = 0.0000 0.0000 0.2196 ( 3608 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3003 -15.3003 -15.1363 -15.1363 -14.9501 -14.9501 -14.8685 -14.8685 -14.7800 -14.7800 -14.7070 -14.7070 -9.2347 -9.2347 -9.0749 -9.0749 0.7840 0.7840 1.9298 1.9298 2.8290 2.8290 2.9065 2.9065 3.1818 3.1818 3.2691 3.2691 3.5226 3.5226 4.8086 4.8086 9.2463 9.2463 9.7603 9.7603 9.8906 9.8906 9.9029 9.9029 k = 0.0000 0.0000 0.2318 ( 3608 PWs) bands (ev): -33.9644 -33.9644 -33.8997 -33.8997 -15.3002 -15.3002 -15.1364 -15.1364 -14.9500 -14.9500 -14.8685 -14.8685 -14.7802 -14.7802 -14.7070 -14.7070 -9.2294 -9.2294 -9.0799 -9.0799 0.7979 0.7979 1.8965 1.8965 2.8273 2.8273 2.9047 2.9047 3.1834 3.1834 3.2708 3.2708 3.5229 3.5229 4.8368 4.8368 9.2401 9.2401 9.7398 9.7398 9.8929 9.8929 9.9052 9.9052 k = 0.0000 0.0000 0.2440 ( 3584 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1364 -15.1364 -14.9499 -14.9499 -14.8685 -14.8685 -14.7802 -14.7802 -14.7069 -14.7069 -9.2249 -9.2249 -9.0841 -9.0841 0.8095 0.8095 1.8696 1.8696 2.8260 2.8260 2.9034 2.9034 3.1847 3.1847 3.2722 3.2722 3.5232 3.5232 4.8591 4.8591 9.2352 9.2352 9.7234 9.7234 9.8947 9.8947 9.9071 9.9071 k = 0.0000 0.0000 0.2562 ( 3592 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1365 -15.1365 -14.9499 -14.9499 -14.8685 -14.8685 -14.7803 -14.7803 -14.7069 -14.7069 -9.2214 -9.2214 -9.0874 -9.0874 0.8182 0.8182 1.8499 1.8499 2.8250 2.8250 2.9024 2.9024 3.1856 3.1856 3.2732 3.2732 3.5233 3.5233 4.8752 4.8752 9.2316 9.2316 9.7115 9.7115 9.8960 9.8960 9.9084 9.9084 k = 0.0000 0.0000 0.2684 ( 3596 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1366 -15.1366 -14.9499 -14.9499 -14.8685 -14.8685 -14.7803 -14.7803 -14.7069 -14.7069 -9.2192 -9.2192 -9.0895 -9.0895 0.8237 0.8237 1.8379 1.8379 2.8244 2.8244 2.9018 2.9018 3.1862 3.1862 3.2738 3.2738 3.5234 3.5234 4.8849 4.8849 9.2295 9.2295 9.7043 9.7043 9.8968 9.8968 9.9092 9.9092 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1366 -15.1366 -14.9499 -14.9499 -14.8685 -14.8685 -14.7803 -14.7803 -14.7069 -14.7069 -9.2185 -9.2185 -9.0902 -9.0902 0.8255 0.8255 1.8338 1.8338 2.8242 2.8242 2.9016 2.9016 3.1864 3.1864 3.2740 3.2740 3.5235 3.5235 4.8882 4.8882 9.2287 9.2287 9.7018 9.7018 9.8971 9.8971 9.9094 9.9094 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1366 -15.1366 -14.9499 -14.9499 -14.8685 -14.8685 -14.7803 -14.7803 -14.7069 -14.7069 -9.2185 -9.2185 -9.0902 -9.0902 0.8255 0.8255 1.8338 1.8338 2.8242 2.8242 2.9016 2.9016 3.1864 3.1864 3.2740 3.2740 3.5235 3.5235 4.8882 4.8882 9.2287 9.2287 9.7018 9.7018 9.8971 9.8971 9.9094 9.9094 k = 0.0000 0.0122 0.2806 ( 3600 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1368 -15.1368 -14.9498 -14.9498 -14.8686 -14.8686 -14.7803 -14.7803 -14.7071 -14.7071 -9.2182 -9.2182 -9.0899 -9.0899 0.8255 0.8255 1.8344 1.8344 2.8238 2.8238 2.9011 2.9011 3.1827 3.1827 3.2698 3.2698 3.5289 3.5289 4.8875 4.8875 9.2312 9.2312 9.7002 9.7002 9.8980 9.8980 9.9114 9.9114 k = 0.0000 0.0244 0.2806 ( 3592 PWs) bands (ev): -33.9642 -33.9642 -33.8997 -33.8997 -15.3001 -15.3001 -15.1374 -15.1374 -14.9495 -14.9495 -14.8689 -14.8689 -14.7802 -14.7802 -14.7075 -14.7075 -9.2172 -9.2172 -9.0890 -9.0890 0.8256 0.8256 1.8360 1.8360 2.8225 2.8225 2.8997 2.8997 3.1710 3.1710 3.2599 3.2599 3.5439 3.5439 4.8856 4.8856 9.2385 9.2385 9.6955 9.6955 9.8965 9.8965 9.9215 9.9215 k = 0.0000 0.0366 0.2806 ( 3596 PWs) bands (ev): -33.9640 -33.9640 -33.8998 -33.8998 -15.3002 -15.3002 -15.1385 -15.1385 -14.9492 -14.9492 -14.8695 -14.8695 -14.7801 -14.7801 -14.7081 -14.7081 -9.2156 -9.2156 -9.0876 -9.0876 0.8256 0.8256 1.8387 1.8387 2.8202 2.8202 2.8976 2.8976 3.1493 3.1493 3.2490 3.2490 3.5651 3.5651 4.8822 4.8822 9.2505 9.2505 9.6883 9.6883 9.8910 9.8910 9.9407 9.9407 k = 0.0000 0.0488 0.2806 ( 3598 PWs) bands (ev): -33.9638 -33.9638 -33.8999 -33.8999 -15.3003 -15.3003 -15.1399 -15.1399 -14.9487 -14.9487 -14.8703 -14.8703 -14.7799 -14.7799 -14.7090 -14.7090 -9.2134 -9.2134 -9.0856 -9.0856 0.8255 0.8255 1.8425 1.8425 2.8170 2.8170 2.8948 2.8948 3.1179 3.1179 3.2402 3.2402 3.5898 3.5898 4.8776 4.8776 9.2673 9.2673 9.6795 9.6795 9.8826 9.8826 9.9673 9.9673 k = 0.0000 0.0610 0.2806 ( 3598 PWs) bands (ev): -33.9635 -33.9635 -33.9000 -33.9000 -15.3004 -15.3004 -15.1418 -15.1418 -14.9480 -14.9480 -14.8713 -14.8713 -14.7797 -14.7797 -14.7102 -14.7102 -9.2106 -9.2106 -9.0831 -9.0831 0.8254 0.8254 1.8472 1.8472 2.8127 2.8127 2.8916 2.8916 3.0788 3.0788 3.2333 3.2333 3.6161 3.6161 4.8716 4.8716 9.2885 9.2885 9.6695 9.6695 9.8722 9.8722 10.0003 10.0003 k = 0.0000 0.0732 0.2806 ( 3596 PWs) bands (ev): -33.9631 -33.9631 -33.9001 -33.9001 -15.3005 -15.3005 -15.1440 -15.1440 -14.9472 -14.9472 -14.8725 -14.8725 -14.7794 -14.7794 -14.7115 -14.7115 -9.2072 -9.2072 -9.0800 -9.0800 0.8253 0.8253 1.8528 1.8528 2.8072 2.8072 2.8882 2.8882 3.0342 3.0342 3.2276 3.2276 3.6428 3.6428 4.8641 4.8641 9.3140 9.3140 9.6589 9.6589 9.8601 9.8601 10.0390 10.0390 k = 0.0000 0.0854 0.2806 ( 3600 PWs) bands (ev): -33.9627 -33.9627 -33.9003 -33.9003 -15.3007 -15.3007 -15.1466 -15.1466 -14.9463 -14.9463 -14.8739 -14.8739 -14.7791 -14.7791 -14.7130 -14.7130 -9.2032 -9.2032 -9.0764 -9.0764 0.8250 0.8250 1.8591 1.8591 2.8007 2.8007 2.8848 2.8848 2.9858 2.9858 3.2223 3.2223 3.6692 3.6692 4.8553 4.8553 9.3434 9.3434 9.6482 9.6482 9.8467 9.8467 10.0830 10.0830 k = 0.0000 0.0976 0.2806 ( 3604 PWs) bands (ev): -33.9622 -33.9622 -33.9005 -33.9005 -15.3010 -15.3010 -15.1495 -15.1495 -14.9454 -14.9454 -14.8754 -14.8754 -14.7789 -14.7789 -14.7147 -14.7147 -9.1987 -9.1987 -9.0724 -9.0724 0.8245 0.8245 1.8661 1.8661 2.7931 2.7931 2.8815 2.8815 2.9348 2.9348 3.2171 3.2171 3.6950 3.6950 4.8450 4.8450 9.3766 9.3766 9.6376 9.6376 9.8324 9.8324 10.1316 10.1316 k = 0.0000 0.1098 0.2806 ( 3608 PWs) bands (ev): -33.9616 -33.9616 -33.9007 -33.9007 -15.3013 -15.3013 -15.1528 -15.1528 -14.9443 -14.9443 -14.8770 -14.8770 -14.7787 -14.7787 -14.7165 -14.7165 -9.1936 -9.1936 -9.0679 -9.0679 0.8238 0.8238 1.8735 1.8735 2.7847 2.7847 2.8750 2.8750 2.8854 2.8854 3.2117 3.2117 3.7198 3.7198 4.8333 4.8333 9.4131 9.4131 9.6276 9.6276 9.8175 9.8175 10.1842 10.1842 k = 0.0000 0.1220 0.2806 ( 3612 PWs) bands (ev): -33.9610 -33.9610 -33.9010 -33.9010 -15.3016 -15.3016 -15.1564 -15.1564 -14.9431 -14.9431 -14.8787 -14.8787 -14.7786 -14.7786 -14.7184 -14.7184 -9.1880 -9.1880 -9.0630 -9.0630 0.8229 0.8229 1.8812 1.8812 2.7756 2.7756 2.8265 2.8265 2.8771 2.8771 3.2060 3.2060 3.7437 3.7437 4.8200 4.8200 9.4527 9.4527 9.6184 9.6184 9.8026 9.8026 10.2402 10.2402 k = 0.0000 0.1341 0.2806 ( 3620 PWs) bands (ev): -33.9603 -33.9603 -33.9013 -33.9013 -15.3019 -15.3019 -15.1604 -15.1604 -14.9419 -14.9419 -14.8804 -14.8804 -14.7786 -14.7786 -14.7205 -14.7205 -9.1818 -9.1818 -9.0577 -9.0577 0.8217 0.8217 1.8887 1.8887 2.7660 2.7660 2.7721 2.7721 2.8747 2.8747 3.2001 3.2001 3.7664 3.7664 4.8053 4.8053 9.4950 9.4950 9.6106 9.6106 9.7877 9.7877 10.2989 10.2989 k = 0.0000 0.1463 0.2806 ( 3620 PWs) bands (ev): -33.9595 -33.9595 -33.9016 -33.9016 -15.3023 -15.3023 -15.1645 -15.1645 -14.9407 -14.9407 -14.8822 -14.8822 -14.7786 -14.7786 -14.7226 -14.7226 -9.1752 -9.1752 -9.0521 -9.0521 0.8203 0.8203 1.8956 1.8956 2.7174 2.7174 2.7567 2.7567 2.8728 2.8728 3.1938 3.1938 3.7878 3.7878 4.7891 4.7891 9.5397 9.5397 9.6043 9.6043 9.7734 9.7734 10.3593 10.3593 k = 0.0000 0.1585 0.2806 ( 3614 PWs) bands (ev): -33.9587 -33.9587 -33.9019 -33.9019 -15.3028 -15.3028 -15.1689 -15.1689 -14.9393 -14.9393 -14.8840 -14.8840 -14.7787 -14.7787 -14.7247 -14.7247 -9.1682 -9.1682 -9.0462 -9.0462 0.8184 0.8184 1.9015 1.9015 2.6640 2.6640 2.7473 2.7473 2.8712 2.8712 3.1871 3.1871 3.8081 3.8081 4.7714 4.7714 9.5861 9.5861 9.6003 9.6003 9.7600 9.7600 10.4203 10.4203 k = 0.0000 0.1707 0.2806 ( 3610 PWs) bands (ev): -33.9579 -33.9579 -33.9022 -33.9022 -15.3032 -15.3032 -15.1736 -15.1736 -14.9380 -14.9380 -14.8858 -14.8858 -14.7789 -14.7789 -14.7268 -14.7268 -9.1607 -9.1607 -9.0400 -9.0400 0.8163 0.8163 1.9055 1.9055 2.6125 2.6125 2.7384 2.7384 2.8699 2.8699 3.1800 3.1800 3.8270 3.8270 4.7521 4.7521 9.5978 9.5978 9.6352 9.6352 9.7475 9.7475 10.4807 10.4807 k = 0.0000 0.1829 0.2806 ( 3614 PWs) bands (ev): -33.9570 -33.9570 -33.9026 -33.9026 -15.3038 -15.3038 -15.1785 -15.1785 -14.9367 -14.9367 -14.8875 -14.8875 -14.7792 -14.7792 -14.7289 -14.7289 -9.1529 -9.1529 -9.0337 -9.0337 0.8138 0.8138 1.9068 1.9068 2.5642 2.5642 2.7301 2.7301 2.8689 2.8689 3.1726 3.1726 3.8446 3.8446 4.7314 4.7314 9.5983 9.5983 9.6851 9.6851 9.7364 9.7364 10.5392 10.5392 k = 0.0000 0.1951 0.2806 ( 3622 PWs) bands (ev): -33.9560 -33.9560 -33.9031 -33.9031 -15.3044 -15.3044 -15.1835 -15.1835 -14.9355 -14.9355 -14.8893 -14.8893 -14.7797 -14.7797 -14.7309 -14.7309 -9.1447 -9.1447 -9.0272 -9.0272 0.8109 0.8109 1.9043 1.9043 2.5203 2.5203 2.7227 2.7227 2.8681 2.8681 3.1649 3.1649 3.8608 3.8608 4.7092 4.7092 9.6016 9.6016 9.7263 9.7263 9.7368 9.7368 10.5942 10.5943 k = 0.0000 0.2073 0.2806 ( 3626 PWs) bands (ev): -33.9550 -33.9550 -33.9035 -33.9035 -15.3050 -15.3050 -15.1887 -15.1887 -14.9343 -14.9343 -14.8909 -14.8909 -14.7802 -14.7802 -14.7329 -14.7329 -9.1362 -9.1362 -9.0205 -9.0205 0.8078 0.8078 1.8966 1.8966 2.4822 2.4822 2.7163 2.7163 2.8675 2.8675 3.1568 3.1568 3.8757 3.8757 4.6856 4.6856 9.6078 9.6078 9.7185 9.7185 9.7889 9.7889 10.6239 10.6240 k = 0.0000 0.2195 0.2806 ( 3630 PWs) bands (ev): -33.9540 -33.9540 -33.9040 -33.9040 -15.3057 -15.3057 -15.1941 -15.1941 -14.9331 -14.9331 -14.8925 -14.8925 -14.7809 -14.7809 -14.7349 -14.7349 -9.1274 -9.1274 -9.0139 -9.0139 0.8044 0.8044 1.8828 1.8828 2.4513 2.4513 2.7112 2.7112 2.8672 2.8672 3.1484 3.1484 3.8892 3.8892 4.6607 4.6607 9.6173 9.6173 9.7122 9.7122 9.8421 9.8421 10.6275 10.6276 k = 0.0000 0.2317 0.2806 ( 3630 PWs) bands (ev): -33.9529 -33.9529 -33.9045 -33.9045 -15.3063 -15.3063 -15.1995 -15.1995 -14.9320 -14.9320 -14.8939 -14.8939 -14.7816 -14.7816 -14.7367 -14.7367 -9.1184 -9.1184 -9.0072 -9.0072 0.8009 0.8009 1.8621 1.8621 2.4285 2.4285 2.7073 2.7073 2.8671 2.8671 3.1397 3.1397 3.9013 3.9013 4.6345 4.6345 9.6300 9.6300 9.7079 9.7079 9.8963 9.8963 10.6307 10.6307 k = 0.0000 0.2439 0.2806 ( 3624 PWs) bands (ev): -33.9518 -33.9518 -33.9051 -33.9051 -15.3070 -15.3070 -15.2051 -15.2051 -14.9310 -14.9310 -14.8953 -14.8953 -14.7823 -14.7823 -14.7385 -14.7385 -9.1092 -9.1092 -9.0006 -9.0006 0.7973 0.7973 1.8341 1.8341 2.4141 2.4141 2.7047 2.7047 2.8673 2.8673 3.1308 3.1308 3.9121 3.9121 4.6071 4.6071 9.6462 9.6462 9.7057 9.7057 9.9513 9.9513 10.6331 10.6331 k = 0.0000 0.2561 0.2806 ( 3628 PWs) bands (ev): -33.9506 -33.9506 -33.9057 -33.9057 -15.3077 -15.3077 -15.2107 -15.2107 -14.9301 -14.9301 -14.8965 -14.8965 -14.7830 -14.7830 -14.7402 -14.7402 -9.0999 -9.0999 -8.9941 -8.9941 0.7937 0.7937 1.7996 1.7996 2.4077 2.4077 2.7035 2.7035 2.8678 2.8678 3.1217 3.1217 3.9215 3.9215 4.5785 4.5785 9.6658 9.6658 9.7056 9.7056 10.0069 10.0069 10.6344 10.6344 k = 0.0000 0.2683 0.2806 ( 3632 PWs) bands (ev): -33.9494 -33.9494 -33.9063 -33.9063 -15.3084 -15.3084 -15.2163 -15.2163 -14.9293 -14.9293 -14.8977 -14.8977 -14.7838 -14.7838 -14.7419 -14.7419 -9.0905 -9.0905 -8.9877 -8.9877 0.7902 0.7902 1.7594 1.7594 2.4084 2.4084 2.7036 2.7036 2.8684 2.8684 3.1123 3.1123 3.9296 3.9296 4.5490 4.5490 9.6886 9.6886 9.7078 9.7078 10.0633 10.0633 10.6343 10.6343 k = 0.0000 0.2805 0.2806 ( 3626 PWs) bands (ev): -33.9482 -33.9482 -33.9070 -33.9070 -15.3091 -15.3091 -15.2219 -15.2219 -14.9285 -14.9285 -14.8987 -14.8987 -14.7845 -14.7845 -14.7435 -14.7435 -9.0809 -9.0809 -8.9815 -8.9815 0.7871 0.7871 1.7149 1.7149 2.4150 2.4150 2.7050 2.7050 2.8694 2.8694 3.1028 3.1028 3.9366 3.9366 4.5186 4.5186 9.7095 9.7095 9.7177 9.7177 10.1205 10.1205 10.6324 10.6325 k = 0.0000 0.2927 0.2806 ( 3630 PWs) bands (ev): -33.9469 -33.9469 -33.9076 -33.9076 -15.3098 -15.3098 -15.2276 -15.2276 -14.9278 -14.9278 -14.8996 -14.8996 -14.7851 -14.7851 -14.7451 -14.7451 -9.0714 -9.0714 -8.9756 -8.9756 0.7843 0.7843 1.6672 1.6672 2.4263 2.4263 2.7076 2.7076 2.8707 2.8707 3.0932 3.0932 3.9423 3.9423 4.4874 4.4874 9.7174 9.7174 9.7461 9.7461 10.1783 10.1783 10.6282 10.6282 k = 0.0000 0.3049 0.2806 ( 3630 PWs) bands (ev): -33.9456 -33.9456 -33.9084 -33.9084 -15.3104 -15.3104 -15.2332 -15.2332 -14.9273 -14.9273 -14.9005 -14.9005 -14.7856 -14.7856 -14.7467 -14.7467 -9.0619 -9.0619 -8.9699 -8.9699 0.7820 0.7820 1.6175 1.6175 2.4413 2.4413 2.7112 2.7112 2.8722 2.8722 3.0835 3.0835 3.9469 3.9469 4.4556 4.4556 9.7263 9.7263 9.7789 9.7789 10.2370 10.2370 10.6214 10.6214 k = 0.0000 0.3171 0.2806 ( 3630 PWs) bands (ev): -33.9444 -33.9444 -33.9091 -33.9091 -15.3110 -15.3110 -15.2387 -15.2387 -14.9267 -14.9267 -14.9013 -14.9013 -14.7860 -14.7860 -14.7482 -14.7482 -9.0525 -9.0525 -8.9646 -8.9646 0.7805 0.7805 1.5667 1.5667 2.4592 2.4592 2.7158 2.7158 2.8741 2.8741 3.0737 3.0737 3.9505 3.9505 4.4234 4.4234 9.7374 9.7374 9.8146 9.8146 10.2963 10.2963 10.6115 10.6115 k = 0.0000 0.3293 0.2806 ( 3630 PWs) bands (ev): -33.9430 -33.9430 -33.9099 -33.9099 -15.3115 -15.3115 -15.2441 -15.2441 -14.9262 -14.9262 -14.9021 -14.9021 -14.7862 -14.7862 -14.7498 -14.7498 -9.0431 -9.0431 -8.9597 -8.9597 0.7798 0.7798 1.5155 1.5155 2.4791 2.4791 2.7212 2.7212 2.8763 2.8763 3.0639 3.0639 3.9533 3.9533 4.3909 4.3909 9.7507 9.7507 9.8529 9.8529 10.3563 10.3563 10.5983 10.5983 k = 0.0000 0.3415 0.2806 ( 3634 PWs) bands (ev): -33.9417 -33.9417 -33.9108 -33.9108 -15.3119 -15.3119 -15.2495 -15.2495 -14.9257 -14.9257 -14.9028 -14.9028 -14.7863 -14.7863 -14.7514 -14.7514 -9.0340 -9.0340 -8.9552 -8.9552 0.7802 0.7802 1.4644 1.4644 2.5006 2.5006 2.7271 2.7271 2.8788 2.8788 3.0541 3.0541 3.9554 3.9554 4.3583 4.3583 9.7663 9.7663 9.8935 9.8935 10.4168 10.4168 10.5816 10.5816 k = 0.0000 0.3537 0.2806 ( 3634 PWs) bands (ev): -33.9404 -33.9404 -33.9116 -33.9116 -15.3122 -15.3122 -15.2547 -15.2547 -14.9253 -14.9253 -14.9036 -14.9036 -14.7862 -14.7862 -14.7529 -14.7529 -9.0250 -9.0250 -8.9512 -8.9512 0.7818 0.7818 1.4139 1.4139 2.5231 2.5231 2.7334 2.7334 2.8816 2.8816 3.0443 3.0443 3.9570 3.9570 4.3258 4.3258 9.7841 9.7841 9.9359 9.9359 10.4777 10.4777 10.5613 10.5613 k = 0.0000 0.3659 0.2806 ( 3626 PWs) bands (ev): -33.9390 -33.9390 -33.9125 -33.9125 -15.3124 -15.3124 -15.2597 -15.2597 -14.9247 -14.9247 -14.9044 -14.9044 -14.7859 -14.7859 -14.7545 -14.7545 -9.0163 -9.0163 -8.9476 -8.9476 0.7847 0.7847 1.3644 1.3644 2.5462 2.5462 2.7398 2.7398 2.8849 2.8849 3.0347 3.0347 3.9583 3.9583 4.2936 4.2936 9.8041 9.8041 9.9797 9.9797 10.5362 10.5362 10.5403 10.5403 k = 0.0000 0.3780 0.2806 ( 3624 PWs) bands (ev): -33.9377 -33.9377 -33.9134 -33.9134 -15.3124 -15.3124 -15.2646 -15.2646 -14.9242 -14.9242 -14.9052 -14.9052 -14.7855 -14.7855 -14.7561 -14.7561 -9.0078 -9.0078 -8.9446 -8.9446 0.7891 0.7891 1.3161 1.3161 2.5694 2.5694 2.7460 2.7460 2.8884 2.8884 3.0252 3.0252 3.9594 3.9594 4.2619 4.2619 9.8262 9.8262 10.0244 10.0244 10.5104 10.5104 10.6001 10.6001 k = 0.0000 0.3902 0.2806 ( 3624 PWs) bands (ev): -33.9363 -33.9363 -33.9144 -33.9144 -15.3123 -15.3123 -15.2693 -15.2693 -14.9236 -14.9236 -14.9061 -14.9061 -14.7848 -14.7848 -14.7578 -14.7578 -8.9997 -8.9997 -8.9421 -8.9421 0.7951 0.7951 1.2694 1.2694 2.5925 2.5925 2.7519 2.7519 2.8923 2.8923 3.0158 3.0158 3.9607 3.9607 4.2309 4.2309 9.8504 9.8504 10.0694 10.0694 10.4804 10.4804 10.6607 10.6607 k = 0.0000 0.4024 0.2806 ( 3622 PWs) bands (ev): -33.9350 -33.9350 -33.9154 -33.9154 -15.3119 -15.3119 -15.2739 -15.2739 -14.9229 -14.9229 -14.9070 -14.9070 -14.7841 -14.7841 -14.7595 -14.7595 -8.9920 -8.9920 -8.9402 -8.9402 0.8029 0.8029 1.2244 1.2244 2.6151 2.6151 2.7571 2.7571 2.8966 2.8966 3.0067 3.0067 3.9624 3.9624 4.2010 4.2010 9.8766 9.8766 10.1145 10.1145 10.4479 10.4479 10.7192 10.7198 k = 0.0000 0.4146 0.2806 ( 3618 PWs) bands (ev): -33.9336 -33.9336 -33.9164 -33.9164 -15.3114 -15.3114 -15.2781 -15.2781 -14.9222 -14.9222 -14.9080 -14.9080 -14.7831 -14.7831 -14.7611 -14.7611 -8.9846 -8.9846 -8.9389 -8.9389 0.8125 0.8125 1.1812 1.1812 2.6370 2.6370 2.7615 2.7615 2.9012 2.9012 2.9977 2.9977 3.9648 3.9648 4.1722 4.1722 9.9048 9.9048 10.1590 10.1590 10.4132 10.4132 10.6858 10.6858 k = 0.0000 0.4268 0.2806 ( 3618 PWs) bands (ev): -33.9323 -33.9323 -33.9175 -33.9175 -15.3107 -15.3107 -15.2822 -15.2822 -14.9214 -14.9214 -14.9090 -14.9090 -14.7820 -14.7820 -14.7628 -14.7628 -8.9777 -8.9777 -8.9382 -8.9382 0.8242 0.8242 1.1401 1.1401 2.6577 2.6577 2.7646 2.7646 2.9061 2.9061 2.9890 2.9890 3.9680 3.9680 4.1448 4.1448 9.9347 9.9347 10.2026 10.2026 10.3768 10.3768 10.6493 10.6493 k = 0.0000 0.4390 0.2806 ( 3620 PWs) bands (ev): -33.9310 -33.9310 -33.9186 -33.9186 -15.3098 -15.3098 -15.2860 -15.2860 -14.9206 -14.9206 -14.9101 -14.9101 -14.7808 -14.7808 -14.7646 -14.7646 -8.9713 -8.9713 -8.9381 -8.9381 0.8379 0.8379 1.1011 1.1011 2.6772 2.6772 2.7664 2.7664 2.9114 2.9114 2.9806 2.9806 3.9724 3.9724 4.1190 4.1190 9.9663 9.9663 10.2451 10.2451 10.3391 10.3391 10.6135 10.6135 k = 0.0000 0.4512 0.2806 ( 3632 PWs) bands (ev): -33.9296 -33.9296 -33.9197 -33.9197 -15.3086 -15.3086 -15.2896 -15.2896 -14.9197 -14.9197 -14.9112 -14.9112 -14.7795 -14.7795 -14.7663 -14.7663 -8.9653 -8.9653 -8.9387 -8.9387 0.8538 0.8538 1.0643 1.0643 2.6951 2.6951 2.7665 2.7665 2.9170 2.9170 2.9724 2.9724 3.9782 3.9782 4.0949 4.0949 9.9995 9.9995 10.2861 10.2861 10.3007 10.3007 10.5782 10.5782 k = 0.0000 0.4634 0.2806 ( 3640 PWs) bands (ev): -33.9283 -33.9283 -33.9209 -33.9209 -15.3072 -15.3072 -15.2929 -15.2929 -14.9188 -14.9188 -14.9123 -14.9123 -14.7781 -14.7781 -14.7681 -14.7681 -8.9599 -8.9599 -8.9398 -8.9398 0.8719 0.8719 1.0297 1.0297 2.7112 2.7112 2.7649 2.7649 2.9229 2.9229 2.9645 2.9645 3.9856 3.9856 4.0729 4.0729 10.0341 10.0341 10.2615 10.2615 10.3260 10.3260 10.5433 10.5433 k = 0.0000 0.4756 0.2806 ( 3626 PWs) bands (ev): -33.9270 -33.9270 -33.9221 -33.9221 -15.3055 -15.3055 -15.2960 -15.2960 -14.9177 -14.9177 -14.9134 -14.9134 -14.7765 -14.7765 -14.7698 -14.7698 -8.9551 -8.9551 -8.9416 -8.9416 0.8923 0.8923 0.9975 0.9975 2.7254 2.7254 2.7612 2.7612 2.9292 2.9292 2.9569 2.9569 3.9949 3.9949 4.0530 4.0530 10.0700 10.0700 10.2224 10.2224 10.3645 10.3645 10.5085 10.5085 k = 0.0000 0.4878 0.2806 ( 3632 PWs) bands (ev): -33.9258 -33.9258 -33.9233 -33.9233 -15.3035 -15.3035 -15.2987 -15.2987 -14.9167 -14.9167 -14.9145 -14.9145 -14.7749 -14.7749 -14.7716 -14.7716 -8.9508 -8.9508 -8.9441 -8.9441 0.9151 0.9151 0.9676 0.9676 2.7375 2.7375 2.7555 2.7555 2.9357 2.9357 2.9496 2.9496 4.0062 4.0062 4.0352 4.0352 10.1069 10.1069 10.1834 10.1834 10.4017 10.4017 10.4734 10.4734 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3013 -15.3013 -15.3013 -15.3013 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9472 -8.9472 -8.9472 -8.9472 0.9402 0.9402 0.9402 0.9402 2.7476 2.7476 2.7476 2.7476 2.9425 2.9425 2.9425 2.9425 4.0196 4.0196 4.0196 4.0196 10.1448 10.1448 10.1448 10.1448 10.4379 10.4379 10.4379 10.4379 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3013 -15.3013 -15.3013 -15.3013 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9472 -8.9472 -8.9472 -8.9472 0.9402 0.9402 0.9402 0.9402 2.7476 2.7476 2.7476 2.7476 2.9425 2.9425 2.9425 2.9425 4.0196 4.0196 4.0196 4.0196 10.1448 10.1448 10.1448 10.1448 10.4379 10.4379 10.4379 10.4379 k = 0.0122 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3023 -15.3023 -15.3002 -15.3002 -14.9192 -14.9192 -14.9120 -14.9120 -14.7759 -14.7759 -14.7708 -14.7708 -8.9471 -8.9471 -8.9471 -8.9471 0.9412 0.9412 0.9413 0.9413 2.7465 2.7465 2.7481 2.7481 2.9389 2.9389 2.9417 2.9417 4.0193 4.0193 4.0209 4.0209 10.1422 10.1422 10.1430 10.1430 10.4424 10.4424 10.4425 10.4425 k = 0.0244 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3032 -15.3032 -15.2990 -15.2990 -14.9230 -14.9230 -14.9086 -14.9086 -14.7787 -14.7787 -14.7686 -14.7686 -8.9470 -8.9470 -8.9470 -8.9470 0.9445 0.9445 0.9447 0.9447 2.7448 2.7448 2.7481 2.7481 2.9311 2.9311 2.9367 2.9367 4.0198 4.0198 4.0229 4.0229 10.1356 10.1356 10.1370 10.1370 10.4554 10.4554 10.4554 10.4554 k = 0.0366 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9244 -33.9244 -33.9244 -33.9244 -15.3041 -15.3041 -15.2978 -15.2978 -14.9267 -14.9267 -14.9052 -14.9052 -14.7817 -14.7817 -14.7665 -14.7665 -8.9469 -8.9469 -8.9469 -8.9469 0.9499 0.9499 0.9502 0.9502 2.7424 2.7424 2.7475 2.7475 2.9190 2.9190 2.9276 2.9276 4.0212 4.0212 4.0258 4.0258 10.1261 10.1261 10.1282 10.1282 10.4753 10.4753 10.4755 10.4755 k = 0.0488 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9243 -33.9243 -33.9243 -33.9243 -15.3049 -15.3049 -15.2966 -15.2966 -14.9306 -14.9306 -14.9019 -14.9019 -14.7849 -14.7849 -14.7647 -14.7647 -8.9467 -8.9467 -8.9466 -8.9466 0.9575 0.9575 0.9579 0.9579 2.7392 2.7392 2.7464 2.7464 2.9030 2.9030 2.9148 2.9148 4.0232 4.0232 4.0292 4.0292 10.1151 10.1151 10.1177 10.1177 10.5008 10.5008 10.5012 10.5012 k = 0.0610 0.5000 0.2806 ( 3628 PWs) bands (ev): -33.9243 -33.9243 -33.9243 -33.9243 -15.3057 -15.3057 -15.2953 -15.2953 -14.9345 -14.9345 -14.8988 -14.8988 -14.7882 -14.7882 -14.7631 -14.7631 -8.9464 -8.9464 -8.9464 -8.9464 0.9672 0.9672 0.9678 0.9678 2.7349 2.7349 2.7448 2.7448 2.8833 2.8833 2.8986 2.8986 4.0257 4.0257 4.0330 4.0330 10.1038 10.1038 10.1068 10.1068 10.5301 10.5301 10.5310 10.5310 k = 0.0732 0.5000 0.2806 ( 3628 PWs) bands (ev): -33.9241 -33.9241 -33.9241 -33.9241 -15.3064 -15.3064 -15.2940 -15.2940 -14.9384 -14.9384 -14.8957 -14.8957 -14.7918 -14.7918 -14.7616 -14.7616 -8.9460 -8.9460 -8.9460 -8.9460 0.9790 0.9790 0.9797 0.9797 2.7292 2.7292 2.7425 2.7425 2.8604 2.8604 2.8798 2.8798 4.0287 4.0287 4.0370 4.0370 10.0931 10.0931 10.0964 10.0964 10.5621 10.5621 10.5634 10.5634 k = 0.0854 0.5000 0.2806 ( 3632 PWs) bands (ev): -33.9240 -33.9240 -33.9240 -33.9240 -15.3070 -15.3070 -15.2927 -15.2927 -14.9423 -14.9423 -14.8928 -14.8928 -14.7954 -14.7954 -14.7604 -14.7604 -8.9456 -8.9456 -8.9456 -8.9456 0.9929 0.9929 0.9937 0.9937 2.7217 2.7217 2.7394 2.7394 2.8347 2.8347 2.8592 2.8592 4.0317 4.0317 4.0411 4.0411 10.0835 10.0835 10.0870 10.0870 10.5956 10.5956 10.5974 10.5974 k = 0.0976 0.5000 0.2806 ( 3632 PWs) bands (ev): -33.9239 -33.9239 -33.9239 -33.9239 -15.3076 -15.3076 -15.2913 -15.2913 -14.9462 -14.9462 -14.8899 -14.8899 -14.7992 -14.7992 -14.7594 -14.7594 -8.9452 -8.9452 -8.9452 -8.9452 1.0087 1.0087 1.0097 1.0097 2.7116 2.7116 2.7348 2.7348 2.8072 2.8072 2.8379 2.8379 4.0347 4.0347 4.0449 4.0449 10.0754 10.0754 10.0792 10.0792 10.6295 10.6295 10.6320 10.6320 k = 0.1098 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9237 -33.9237 -33.9237 -33.9237 -15.3081 -15.3081 -15.2900 -15.2900 -14.9502 -14.9502 -14.8872 -14.8872 -14.8032 -14.8032 -14.7585 -14.7585 -8.9447 -8.9447 -8.9447 -8.9447 1.0265 1.0265 1.0276 1.0276 2.6978 2.6978 2.7272 2.7272 2.7798 2.7798 2.8172 2.8172 4.0374 4.0374 4.0484 4.0484 10.0691 10.0691 10.0730 10.0730 10.6631 10.6631 10.6662 10.6662 k = 0.1220 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9235 -33.9235 -33.9235 -33.9235 -15.3086 -15.3086 -15.2887 -15.2887 -14.9540 -14.9540 -14.8846 -14.8846 -14.8072 -14.8072 -14.7579 -14.7579 -8.9441 -8.9441 -8.9441 -8.9441 1.0462 1.0462 1.0475 1.0475 2.6793 2.6793 2.7122 2.7122 2.7574 2.7574 2.7985 2.7985 4.0397 4.0397 4.0513 4.0513 10.0648 10.0648 10.0688 10.0688 10.6956 10.6956 10.6994 10.6994 k = 0.1341 0.5000 0.2806 ( 3640 PWs) bands (ev): -33.9233 -33.9233 -33.9233 -33.9233 -15.3090 -15.3090 -15.2874 -15.2874 -14.9578 -14.9578 -14.8821 -14.8821 -14.8113 -14.8113 -14.7574 -14.7574 -8.9435 -8.9435 -8.9435 -8.9435 1.0676 1.0676 1.0691 1.0691 2.6557 2.6557 2.6861 2.6861 2.7439 2.7439 2.7827 2.7827 4.0414 4.0414 4.0535 4.0535 10.0624 10.0624 10.0665 10.0665 10.7265 10.7265 10.7309 10.7309 k = 0.1463 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9231 -33.9231 -33.9231 -33.9231 -15.3094 -15.3094 -15.2862 -15.2862 -14.9615 -14.9615 -14.8797 -14.8797 -14.8155 -14.8155 -14.7571 -14.7571 -8.9429 -8.9429 -8.9429 -8.9429 1.0908 1.0908 1.0924 1.0924 2.6273 2.6273 2.6527 2.6527 2.7358 2.7358 2.7697 2.7697 4.0424 4.0424 4.0549 4.0549 10.0621 10.0621 10.0663 10.0663 10.7555 10.7555 10.7606 10.7606 k = 0.1585 0.5000 0.2806 ( 3632 PWs) bands (ev): -33.9229 -33.9229 -33.9229 -33.9229 -15.3097 -15.3097 -15.2850 -15.2850 -14.9650 -14.9650 -14.8774 -14.8774 -14.8196 -14.8196 -14.7570 -14.7570 -8.9422 -8.9422 -8.9422 -8.9422 1.1156 1.1156 1.1174 1.1174 2.5952 2.5952 2.6160 2.6160 2.7295 2.7295 2.7588 2.7588 4.0426 4.0426 4.0554 4.0554 10.0639 10.0639 10.0681 10.0681 10.7825 10.7825 10.7882 10.7882 k = 0.1707 0.5000 0.2806 ( 3632 PWs) bands (ev): -33.9226 -33.9226 -33.9226 -33.9226 -15.3100 -15.3100 -15.2839 -15.2839 -14.9685 -14.9685 -14.8753 -14.8753 -14.8238 -14.8238 -14.7571 -14.7571 -8.9415 -8.9415 -8.9415 -8.9415 1.1419 1.1419 1.1438 1.1438 2.5603 2.5603 2.5776 2.5776 2.7236 2.7236 2.7494 2.7494 4.0419 4.0419 4.0549 4.0549 10.0676 10.0676 10.0718 10.0718 10.8075 10.8075 10.8138 10.8138 k = 0.1829 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9224 -33.9224 -33.9224 -33.9224 -15.3102 -15.3102 -15.2828 -15.2828 -14.9717 -14.9717 -14.8734 -14.8734 -14.8279 -14.8279 -14.7573 -14.7573 -8.9408 -8.9408 -8.9407 -8.9407 1.1695 1.1695 1.1717 1.1717 2.5235 2.5235 2.5383 2.5383 2.7178 2.7178 2.7408 2.7408 4.0403 4.0403 4.0534 4.0534 10.0731 10.0731 10.0773 10.0773 10.8309 10.8309 10.8378 10.8378 k = 0.1951 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9221 -33.9221 -33.9221 -33.9221 -15.3104 -15.3104 -15.2820 -15.2820 -14.9748 -14.9748 -14.8718 -14.8718 -14.8318 -14.8318 -14.7576 -14.7576 -8.9400 -8.9400 -8.9399 -8.9399 1.1985 1.1985 1.2009 1.2009 2.4856 2.4856 2.4985 2.4985 2.7117 2.7117 2.7327 2.7327 4.0377 4.0377 4.0509 4.0509 10.0805 10.0805 10.0846 10.0846 10.8531 10.8531 10.8606 10.8606 k = 0.2073 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9218 -33.9218 -33.9218 -33.9218 -15.3106 -15.3106 -15.2812 -15.2812 -14.9776 -14.9776 -14.8705 -14.8705 -14.8355 -14.8355 -14.7582 -14.7582 -8.9392 -8.9392 -8.9392 -8.9392 1.2286 1.2286 1.2313 1.2313 2.4470 2.4470 2.4586 2.4586 2.7054 2.7054 2.7247 2.7247 4.0342 4.0342 4.0473 4.0473 10.0894 10.0894 10.0934 10.0934 10.8745 10.8745 10.8824 10.8824 k = 0.2195 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9215 -33.9215 -33.9215 -33.9215 -15.3108 -15.3108 -15.2806 -15.2806 -14.9802 -14.9802 -14.8697 -14.8697 -14.8388 -14.8388 -14.7589 -14.7589 -8.9384 -8.9384 -8.9383 -8.9383 1.2597 1.2597 1.2627 1.2627 2.4081 2.4081 2.4189 2.4189 2.6987 2.6987 2.7168 2.7168 4.0298 4.0298 4.0427 4.0427 10.0997 10.0997 10.1037 10.1037 10.8954 10.8954 10.9039 10.9039 k = 0.2317 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9213 -33.9213 -33.9213 -33.9213 -15.3110 -15.3110 -15.2802 -15.2802 -14.9825 -14.9825 -14.8696 -14.8696 -14.8415 -14.8415 -14.7597 -14.7597 -8.9376 -8.9376 -8.9375 -8.9375 1.2917 1.2917 1.2950 1.2950 2.3694 2.3694 2.3796 2.3796 2.6917 2.6917 2.7087 2.7087 4.0244 4.0244 4.0372 4.0372 10.1113 10.1113 10.1152 10.1152 10.9162 10.9162 10.9252 10.9252 k = 0.2439 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9210 -33.9210 -33.9210 -33.9210 -15.3112 -15.3112 -15.2799 -15.2799 -14.9846 -14.9846 -14.8703 -14.8703 -14.8433 -14.8433 -14.7607 -14.7607 -8.9368 -8.9368 -8.9367 -8.9367 1.3244 1.3244 1.3281 1.3281 2.3310 2.3310 2.3409 2.3409 2.6843 2.6843 2.7004 2.7004 4.0182 4.0182 4.0308 4.0308 10.1239 10.1239 10.1276 10.1276 10.9375 10.9375 10.9470 10.9470 k = 0.2561 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9207 -33.9207 -33.9207 -33.9207 -15.3113 -15.3113 -15.2798 -15.2798 -14.9863 -14.9863 -14.8721 -14.8721 -14.8442 -14.8442 -14.7618 -14.7618 -8.9359 -8.9359 -8.9359 -8.9359 1.3576 1.3576 1.3617 1.3617 2.2934 2.2934 2.3032 2.3032 2.6764 2.6764 2.6918 2.6918 4.0113 4.0113 4.0235 4.0235 10.1373 10.1373 10.1409 10.1409 10.9594 10.9594 10.9694 10.9694 k = 0.2683 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9204 -33.9204 -33.9204 -33.9204 -15.3114 -15.3114 -15.2799 -15.2799 -14.9877 -14.9877 -14.8747 -14.8747 -14.8442 -14.8442 -14.7630 -14.7630 -8.9351 -8.9351 -8.9350 -8.9350 1.3912 1.3912 1.3957 1.3957 2.2567 2.2567 2.2666 2.2666 2.6682 2.6682 2.6830 2.6830 4.0036 4.0036 4.0156 4.0156 10.1513 10.1513 10.1547 10.1547 10.9824 10.9824 10.9928 10.9928 k = 0.2805 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9202 -33.9202 -33.9202 -33.9202 -15.3115 -15.3115 -15.2802 -15.2802 -14.9887 -14.9887 -14.8780 -14.8780 -14.8435 -14.8435 -14.7644 -14.7644 -8.9343 -8.9343 -8.9342 -8.9342 1.4249 1.4249 1.4299 1.4299 2.2212 2.2212 2.2314 2.2314 2.6595 2.6595 2.6738 2.6738 3.9953 3.9953 4.0069 4.0069 10.1656 10.1656 10.1689 10.1689 11.0065 11.0065 11.0173 11.0173 k = 0.2927 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9199 -33.9199 -33.9199 -33.9199 -15.3116 -15.3116 -15.2807 -15.2807 -14.9894 -14.9894 -14.8818 -14.8818 -14.8423 -14.8423 -14.7659 -14.7659 -8.9335 -8.9335 -8.9334 -8.9334 1.4585 1.4585 1.4641 1.4641 2.1872 2.1872 2.1978 2.1978 2.6505 2.6505 2.6642 2.6642 3.9865 3.9865 3.9977 3.9977 10.1800 10.1800 10.1831 10.1831 11.0321 11.0321 11.0433 11.0433 k = 0.3049 0.5000 0.2806 ( 3628 PWs) bands (ev): -33.9196 -33.9196 -33.9196 -33.9196 -15.3116 -15.3116 -15.2813 -15.2813 -14.9898 -14.9898 -14.8858 -14.8858 -14.8408 -14.8408 -14.7675 -14.7675 -8.9327 -8.9327 -8.9326 -8.9326 1.4918 1.4918 1.4981 1.4981 2.1548 2.1548 2.1660 2.1660 2.6410 2.6410 2.6543 2.6543 3.9773 3.9773 3.9881 3.9881 10.1942 10.1942 10.1971 10.1971 11.0591 11.0591 11.0707 11.0707 k = 0.3171 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9194 -33.9194 -33.9194 -33.9194 -15.3116 -15.3116 -15.2821 -15.2821 -14.9897 -14.9897 -14.8901 -14.8901 -14.8391 -14.8391 -14.7692 -14.7692 -8.9319 -8.9319 -8.9319 -8.9319 1.5244 1.5244 1.5314 1.5314 2.1243 2.1243 2.1362 2.1362 2.6311 2.6311 2.6441 2.6441 3.9679 3.9679 3.9781 3.9781 10.2081 10.2081 10.2108 10.2108 11.0877 11.0877 11.0995 11.0995 k = 0.3293 0.5000 0.2806 ( 3608 PWs) bands (ev): -33.9191 -33.9191 -33.9191 -33.9191 -15.3116 -15.3116 -15.2831 -15.2831 -14.9893 -14.9893 -14.8944 -14.8944 -14.8371 -14.8371 -14.7709 -14.7709 -8.9312 -8.9312 -8.9311 -8.9311 1.5560 1.5560 1.5639 1.5639 2.0960 2.0960 2.1088 2.1088 2.6209 2.6209 2.6335 2.6335 3.9582 3.9582 3.9680 3.9680 10.2215 10.2215 10.2240 10.2240 11.1176 11.1176 11.1296 11.1296 k = 0.3415 0.5000 0.2806 ( 3608 PWs) bands (ev): -33.9189 -33.9189 -33.9189 -33.9189 -15.3115 -15.3115 -15.2842 -15.2842 -14.9886 -14.9886 -14.8988 -14.8988 -14.8351 -14.8351 -14.7728 -14.7728 -8.9305 -8.9305 -8.9304 -8.9304 1.5863 1.5863 1.5952 1.5952 2.0702 2.0702 2.0840 2.0840 2.6104 2.6104 2.6225 2.6225 3.9485 3.9485 3.9577 3.9577 10.2341 10.2341 10.2364 10.2364 11.1486 11.1486 11.1607 11.1607 k = 0.3537 0.5000 0.2806 ( 3612 PWs) bands (ev): -33.9186 -33.9186 -33.9186 -33.9186 -15.3114 -15.3114 -15.2855 -15.2855 -14.9875 -14.9875 -14.9033 -14.9033 -14.8330 -14.8330 -14.7748 -14.7748 -8.9298 -8.9298 -8.9298 -8.9298 1.6148 1.6148 1.6247 1.6247 2.0472 2.0472 2.0620 2.0620 2.5996 2.5996 2.6113 2.6113 3.9389 3.9389 3.9475 3.9475 10.2459 10.2459 10.2481 10.2481 11.1803 11.1803 11.1925 11.1925 k = 0.3659 0.5000 0.2806 ( 3612 PWs) bands (ev): -33.9184 -33.9184 -33.9184 -33.9184 -15.3112 -15.3112 -15.2869 -15.2869 -14.9862 -14.9862 -14.9078 -14.9078 -14.8308 -14.8308 -14.7769 -14.7769 -8.9292 -8.9292 -8.9291 -8.9291 1.6411 1.6411 1.6520 1.6520 2.0274 2.0274 2.0433 2.0433 2.5886 2.5886 2.5998 2.5998 3.9295 3.9295 3.9375 3.9375 10.2568 10.2568 10.2588 10.2588 11.2123 11.2123 11.2243 11.2243 k = 0.3780 0.5000 0.2806 ( 3616 PWs) bands (ev): -33.9182 -33.9182 -33.9182 -33.9182 -15.3109 -15.3109 -15.2883 -15.2883 -14.9845 -14.9845 -14.9122 -14.9122 -14.8285 -14.8285 -14.7790 -14.7790 -8.9286 -8.9286 -8.9285 -8.9285 1.6646 1.6646 1.6764 1.6764 2.0114 2.0114 2.0282 2.0282 2.5774 2.5774 2.5882 2.5882 3.9204 3.9204 3.9278 3.9278 10.2667 10.2667 10.2685 10.2685 11.2438 11.2438 11.2555 11.2555 k = 0.3902 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9180 -33.9180 -33.9180 -33.9180 -15.3106 -15.3106 -15.2899 -15.2899 -14.9825 -14.9825 -14.9167 -14.9167 -14.8261 -14.8261 -14.7813 -14.7813 -8.9280 -8.9280 -8.9280 -8.9280 1.6848 1.6848 1.6974 1.6974 1.9994 1.9994 2.0169 2.0169 2.5663 2.5663 2.5766 2.5766 3.9118 3.9118 3.9185 3.9185 10.2755 10.2755 10.2772 10.2772 11.2743 11.2743 11.2855 11.2855 k = 0.4024 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9179 -33.9179 -33.9179 -33.9179 -15.3102 -15.3102 -15.2915 -15.2915 -14.9802 -14.9802 -14.9212 -14.9212 -14.8238 -14.8238 -14.7836 -14.7836 -8.9275 -8.9275 -8.9275 -8.9275 1.7015 1.7015 1.7144 1.7144 1.9919 1.9919 2.0096 2.0096 2.5554 2.5554 2.5650 2.5650 3.9037 3.9037 3.9098 3.9098 10.2834 10.2834 10.2848 10.2848 11.3030 11.3030 11.3134 11.3134 k = 0.4146 0.5000 0.2806 ( 3628 PWs) bands (ev): -33.9177 -33.9177 -33.9177 -33.9177 -15.3097 -15.3097 -15.2931 -15.2931 -14.9777 -14.9777 -14.9256 -14.9256 -14.8213 -14.8213 -14.7859 -14.7859 -8.9271 -8.9271 -8.9270 -8.9270 1.7144 1.7144 1.7270 1.7270 1.9888 1.9888 2.0060 2.0060 2.5449 2.5449 2.5538 2.5538 3.8964 3.8964 3.9018 3.9018 10.2902 10.2902 10.2914 10.2914 11.3290 11.3290 11.3386 11.3386 k = 0.4268 0.5000 0.2806 ( 3632 PWs) bands (ev): -33.9176 -33.9176 -33.9176 -33.9176 -15.3091 -15.3091 -15.2947 -15.2947 -14.9750 -14.9750 -14.9300 -14.9300 -14.8189 -14.8189 -14.7884 -14.7884 -8.9267 -8.9267 -8.9267 -8.9267 1.7239 1.7239 1.7356 1.7356 1.9897 1.9897 2.0058 2.0058 2.5350 2.5350 2.5430 2.5430 3.8898 3.8898 3.8945 3.8945 10.2960 10.2960 10.2971 10.2971 11.3520 11.3520 11.3604 11.3604 k = 0.4390 0.5000 0.2806 ( 3628 PWs) bands (ev): -33.9175 -33.9175 -33.9175 -33.9175 -15.3084 -15.3084 -15.2963 -15.2963 -14.9720 -14.9720 -14.9342 -14.9342 -14.8164 -14.8164 -14.7908 -14.7908 -8.9263 -8.9263 -8.9263 -8.9263 1.7303 1.7303 1.7406 1.7406 1.9937 1.9937 2.0080 2.0080 2.5259 2.5259 2.5329 2.5329 3.8842 3.8842 3.8881 3.8881 10.3009 10.3009 10.3018 10.3018 11.3714 11.3714 11.3786 11.3786 k = 0.4512 0.5000 0.2806 ( 3624 PWs) bands (ev): -33.9174 -33.9174 -33.9174 -33.9174 -15.3076 -15.3076 -15.2978 -15.2978 -14.9689 -14.9689 -14.9385 -14.9385 -14.8138 -14.8138 -14.7933 -14.7933 -8.9261 -8.9261 -8.9260 -8.9260 1.7344 1.7344 1.7429 1.7429 1.9997 1.9997 2.0116 2.0116 2.5181 2.5181 2.5240 2.5240 3.8795 3.8795 3.8826 3.8826 10.3048 10.3048 10.3055 10.3055 11.3873 11.3873 11.3931 11.3931 k = 0.4634 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9173 -33.9173 -33.9173 -33.9173 -15.3067 -15.3067 -15.2993 -15.2993 -14.9655 -14.9655 -14.9426 -14.9426 -14.8112 -14.8112 -14.7958 -14.7958 -8.9258 -8.9258 -8.9258 -8.9258 1.7369 1.7369 1.7434 1.7434 2.0062 2.0062 2.0154 2.0154 2.5117 2.5117 2.5163 2.5163 3.8759 3.8759 3.8782 3.8782 10.3078 10.3078 10.3084 10.3084 11.3994 11.3994 11.4039 11.4039 k = 0.4756 0.5000 0.2806 ( 3620 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3057 -15.3057 -15.3007 -15.3007 -14.9620 -14.9620 -14.9467 -14.9467 -14.8087 -14.8087 -14.7984 -14.7984 -8.9257 -8.9257 -8.9257 -8.9257 1.7386 1.7386 1.7429 1.7429 2.0122 2.0122 2.0184 2.0184 2.5072 2.5072 2.5103 2.5103 3.8733 3.8733 3.8749 3.8749 10.3100 10.3100 10.3104 10.3104 11.4082 11.4082 11.4111 11.4111 k = 0.4878 0.5000 0.2806 ( 3612 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3046 -15.3046 -15.3021 -15.3021 -14.9583 -14.9583 -14.9507 -14.9507 -14.8061 -14.8061 -14.8009 -14.8009 -8.9256 -8.9256 -8.9256 -8.9256 1.7398 1.7398 1.7420 1.7420 2.0168 2.0168 2.0199 2.0199 2.5047 2.5047 2.5063 2.5063 3.8720 3.8720 3.8728 3.8728 10.3113 10.3113 10.3115 10.3115 11.4136 11.4136 11.4151 11.4151 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9545 -14.9545 -14.9545 -14.9545 -14.8035 -14.8035 -14.8035 -14.8035 -8.9255 -8.9255 -8.9255 -8.9255 1.7409 1.7409 1.7409 1.7409 2.0194 2.0194 2.0194 2.0194 2.5044 2.5044 2.5044 2.5044 3.8718 3.8718 3.8718 3.8718 10.3118 10.3118 10.3118 10.3118 11.4159 11.4159 11.4159 11.4159 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9545 -14.9545 -14.9545 -14.9545 -14.8035 -14.8035 -14.8035 -14.8035 -8.9255 -8.9255 -8.9255 -8.9255 1.7409 1.7409 1.7409 1.7409 2.0194 2.0194 2.0194 2.0194 2.5044 2.5044 2.5044 2.5044 3.8718 3.8718 3.8718 3.8718 10.3118 10.3118 10.3118 10.3118 11.4159 11.4159 11.4159 11.4159 k = 0.4914 0.4914 0.2806 ( 3614 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3046 -15.3046 -15.3021 -15.3021 -14.9583 -14.9583 -14.9507 -14.9507 -14.8061 -14.8061 -14.8009 -14.8009 -8.9256 -8.9256 -8.9255 -8.9255 1.7397 1.7397 1.7421 1.7421 2.0162 2.0162 2.0204 2.0204 2.5046 2.5046 2.5063 2.5063 3.8719 3.8719 3.8729 3.8729 10.3110 10.3110 10.3118 10.3118 11.4132 11.4132 11.4155 11.4155 k = 0.4828 0.4828 0.2806 ( 3618 PWs) bands (ev): -33.9173 -33.9173 -33.9171 -33.9171 -15.3057 -15.3057 -15.3007 -15.3007 -14.9620 -14.9620 -14.9467 -14.9467 -14.8087 -14.8087 -14.7983 -14.7983 -8.9259 -8.9259 -8.9254 -8.9254 1.7377 1.7377 1.7441 1.7441 2.0086 2.0086 2.0216 2.0216 2.5070 2.5070 2.5105 2.5105 3.8729 3.8729 3.8754 3.8754 10.3086 10.3086 10.3118 10.3118 11.4061 11.4061 11.4136 11.4136 k = 0.4741 0.4741 0.2806 ( 3616 PWs) bands (ev): -33.9175 -33.9175 -33.9171 -33.9171 -15.3067 -15.3067 -15.2993 -15.2993 -14.9655 -14.9655 -14.9426 -14.9426 -14.8112 -14.8112 -14.7958 -14.7958 -8.9263 -8.9263 -8.9253 -8.9253 1.7348 1.7348 1.7471 1.7471 1.9965 1.9965 2.0234 2.0234 2.5113 2.5113 2.5168 2.5168 3.8746 3.8746 3.8796 3.8796 10.3045 10.3045 10.3117 10.3117 11.3949 11.3949 11.4104 11.4104 k = 0.4655 0.4655 0.2806 ( 3616 PWs) bands (ev): -33.9177 -33.9177 -33.9170 -33.9170 -15.3076 -15.3076 -15.2977 -15.2977 -14.9689 -14.9689 -14.9384 -14.9384 -14.8138 -14.8138 -14.7933 -14.7933 -8.9270 -8.9270 -8.9252 -8.9252 1.7310 1.7310 1.7513 1.7513 1.9800 1.9800 2.0259 2.0259 2.5171 2.5171 2.5251 2.5251 3.8770 3.8770 3.8854 3.8854 10.2986 10.2986 10.3115 10.3115 11.3804 11.3804 11.4058 11.4058 k = 0.4569 0.4569 0.2806 ( 3624 PWs) bands (ev): -33.9181 -33.9181 -33.9169 -33.9169 -15.3084 -15.3084 -15.2961 -15.2961 -14.9720 -14.9720 -14.9343 -14.9343 -14.8163 -14.8163 -14.7908 -14.7908 -8.9278 -8.9278 -8.9250 -8.9250 1.7265 1.7265 1.7565 1.7565 1.9597 1.9597 2.0291 2.0291 2.5244 2.5244 2.5350 2.5350 3.8800 3.8800 3.8928 3.8928 10.2907 10.2907 10.3111 10.3111 11.3637 11.3637 11.3999 11.3999 k = 0.4483 0.4483 0.2806 ( 3626 PWs) bands (ev): -33.9184 -33.9184 -33.9167 -33.9167 -15.3091 -15.3091 -15.2944 -15.2944 -14.9751 -14.9751 -14.9300 -14.9300 -14.8189 -14.8189 -14.7883 -14.7883 -8.9288 -8.9288 -8.9248 -8.9248 1.7216 1.7216 1.7629 1.7629 1.9360 1.9360 2.0331 2.0331 2.5328 2.5328 2.5462 2.5462 3.8837 3.8837 3.9018 3.9018 10.2809 10.2809 10.3107 10.3107 11.3458 11.3458 11.3926 11.3926 k = 0.4397 0.4397 0.2806 ( 3634 PWs) bands (ev): -33.9189 -33.9189 -33.9166 -33.9166 -15.3098 -15.3098 -15.2927 -15.2927 -14.9779 -14.9779 -14.9257 -14.9257 -14.8214 -14.8214 -14.7859 -14.7859 -8.9301 -8.9301 -8.9246 -8.9246 1.7164 1.7164 1.7701 1.7701 1.9094 1.9094 2.0377 2.0377 2.5420 2.5420 2.5585 2.5585 3.8880 3.8880 3.9124 3.9124 10.2690 10.2690 10.3101 10.3101 11.3277 11.3277 11.3839 11.3839 k = 0.4310 0.4310 0.2806 ( 3634 PWs) bands (ev): -33.9194 -33.9194 -33.9164 -33.9164 -15.3103 -15.3103 -15.2908 -15.2908 -14.9805 -14.9805 -14.9213 -14.9213 -14.8238 -14.8238 -14.7835 -14.7835 -8.9315 -8.9315 -8.9243 -8.9243 1.7112 1.7112 1.7780 1.7780 1.8808 1.8808 2.0431 2.0431 2.5518 2.5518 2.5715 2.5715 3.8929 3.8929 3.9245 3.9245 10.2549 10.2549 10.3093 10.3093 11.3101 11.3101 11.3739 11.3739 k = 0.4224 0.4224 0.2806 ( 3642 PWs) bands (ev): -33.9200 -33.9200 -33.9162 -33.9162 -15.3107 -15.3107 -15.2889 -15.2889 -14.9829 -14.9829 -14.9170 -14.9170 -14.8262 -14.8262 -14.7811 -14.7811 -8.9332 -8.9332 -8.9241 -8.9241 1.7062 1.7062 1.7855 1.7855 1.8515 1.8515 2.0493 2.0493 2.5618 2.5618 2.5850 2.5850 3.8983 3.8983 3.9381 3.9381 10.2388 10.2388 10.3083 10.3083 11.2935 11.2935 11.3628 11.3628 k = 0.4138 0.4138 0.2806 ( 3634 PWs) bands (ev): -33.9206 -33.9206 -33.9159 -33.9159 -15.3110 -15.3110 -15.2869 -15.2869 -14.9851 -14.9851 -14.9126 -14.9126 -14.8285 -14.8285 -14.7788 -14.7788 -8.9352 -8.9352 -8.9240 -8.9240 1.7018 1.7018 1.7865 1.7865 1.8278 1.8278 2.0562 2.0562 2.5718 2.5718 2.5990 2.5990 3.9043 3.9043 3.9531 3.9531 10.2207 10.2207 10.3071 10.3071 11.2781 11.2781 11.3506 11.3506 k = 0.4052 0.4052 0.2806 ( 3636 PWs) bands (ev): -33.9213 -33.9213 -33.9157 -33.9157 -15.3112 -15.3112 -15.2849 -15.2849 -14.9870 -14.9870 -14.9083 -14.9083 -14.8307 -14.8307 -14.7765 -14.7765 -8.9374 -8.9374 -8.9239 -8.9239 1.6982 1.6982 1.7662 1.7662 1.8248 1.8248 2.0639 2.0639 2.5815 2.5815 2.6132 2.6132 3.9108 3.9108 3.9694 3.9694 10.2007 10.2007 10.3056 10.3056 11.2639 11.2639 11.3376 11.3376 k = 0.3966 0.3966 0.2806 ( 3628 PWs) bands (ev): -33.9220 -33.9220 -33.9154 -33.9154 -15.3113 -15.3113 -15.2828 -15.2828 -14.9887 -14.9887 -14.9041 -14.9041 -14.8328 -14.8328 -14.7743 -14.7743 -8.9399 -8.9399 -8.9238 -8.9238 1.6953 1.6953 1.7332 1.7332 1.8346 1.8346 2.0724 2.0724 2.5907 2.5907 2.6276 2.6276 3.9177 3.9177 3.9870 3.9870 10.1793 10.1793 10.3039 10.3039 11.2504 11.2504 11.3239 11.3239 k = 0.3879 0.3879 0.2806 ( 3628 PWs) bands (ev): -33.9228 -33.9228 -33.9151 -33.9151 -15.3113 -15.3113 -15.2806 -15.2806 -14.9901 -14.9901 -14.8999 -14.8999 -14.8348 -14.8348 -14.7721 -14.7721 -8.9427 -8.9427 -8.9239 -8.9239 1.6914 1.6914 1.6987 1.6987 1.8480 1.8480 2.0816 2.0816 2.5993 2.5993 2.6421 2.6421 3.9250 3.9250 4.0058 4.0058 10.1566 10.1566 10.3020 10.3020 11.2372 11.2372 11.3097 11.3097 k = 0.3793 0.3793 0.2806 ( 3628 PWs) bands (ev): -33.9237 -33.9237 -33.9148 -33.9148 -15.3113 -15.3113 -15.2783 -15.2783 -14.9912 -14.9912 -14.8958 -14.8958 -14.8367 -14.8367 -14.7700 -14.7700 -8.9458 -8.9458 -8.9241 -8.9241 1.6571 1.6571 1.6942 1.6942 1.8632 1.8632 2.0917 2.0917 2.6069 2.6069 2.6566 2.6566 3.9326 3.9326 4.0258 4.0258 10.1329 10.1329 10.3000 10.3000 11.2235 11.2235 11.2951 11.2951 k = 0.3707 0.3707 0.2806 ( 3626 PWs) bands (ev): -33.9246 -33.9246 -33.9144 -33.9144 -15.3112 -15.3112 -15.2760 -15.2760 -14.9921 -14.9921 -14.8920 -14.8920 -14.8383 -14.8383 -14.7680 -14.7680 -8.9492 -8.9492 -8.9244 -8.9244 1.6179 1.6179 1.6953 1.6953 1.8798 1.8798 2.1025 2.1025 2.6136 2.6136 2.6711 2.6711 3.9405 3.9405 4.0468 4.0468 10.1086 10.1086 10.2978 10.2978 11.2090 11.2090 11.2802 11.2802 k = 0.3621 0.3621 0.2806 ( 3618 PWs) bands (ev): -33.9255 -33.9255 -33.9141 -33.9141 -15.3110 -15.3110 -15.2736 -15.2736 -14.9926 -14.9926 -14.8883 -14.8883 -14.8396 -14.8396 -14.7660 -14.7660 -8.9530 -8.9530 -8.9249 -8.9249 1.5779 1.5779 1.6980 1.6980 1.8977 1.8977 2.1142 2.1142 2.6192 2.6192 2.6855 2.6855 3.9485 3.9485 4.0689 4.0689 10.0841 10.0841 10.2957 10.2957 11.1931 11.1931 11.2599 11.2606 k = 0.3534 0.3534 0.2806 ( 3622 PWs) bands (ev): -33.9265 -33.9265 -33.9137 -33.9137 -15.3108 -15.3108 -15.2712 -15.2712 -14.9930 -14.9930 -14.8849 -14.8849 -14.8407 -14.8407 -14.7641 -14.7641 -8.9571 -8.9571 -8.9255 -8.9255 1.5376 1.5376 1.7024 1.7024 1.9166 1.9166 2.1266 2.1266 2.6236 2.6236 2.6998 2.6998 3.9567 3.9567 4.0919 4.0919 10.0594 10.0594 10.2936 10.2936 11.1756 11.1756 11.1962 11.1965 k = 0.3448 0.3448 0.2806 ( 3622 PWs) bands (ev): -33.9275 -33.9275 -33.9133 -33.9133 -15.3105 -15.3105 -15.2686 -15.2686 -14.9930 -14.9930 -14.8818 -14.8818 -14.8414 -14.8414 -14.7623 -14.7623 -8.9615 -8.9615 -8.9264 -8.9264 1.4973 1.4973 1.7085 1.7085 1.9367 1.9367 2.1399 2.1399 2.6268 2.6268 2.7139 2.7139 3.9650 3.9650 4.1158 4.1158 10.0349 10.0349 10.2917 10.2917 11.1268 11.1268 11.1567 11.1567 k = 0.3362 0.3362 0.2806 ( 3622 PWs) bands (ev): -33.9286 -33.9286 -33.9129 -33.9129 -15.3102 -15.3102 -15.2660 -15.2660 -14.9927 -14.9927 -14.8793 -14.8793 -14.8416 -14.8416 -14.7606 -14.7606 -8.9663 -8.9663 -8.9275 -8.9275 1.4571 1.4571 1.7163 1.7163 1.9577 1.9577 2.1540 2.1540 2.6288 2.6288 2.7278 2.7278 3.9732 3.9732 4.1403 4.1403 10.0107 10.0107 10.2900 10.2900 11.0572 11.0572 11.1367 11.1367 k = 0.3276 0.3276 0.2806 ( 3614 PWs) bands (ev): -33.9297 -33.9297 -33.9125 -33.9125 -15.3098 -15.3098 -15.2632 -15.2632 -14.9922 -14.9922 -14.8773 -14.8773 -14.8411 -14.8411 -14.7589 -14.7589 -8.9715 -8.9715 -8.9288 -8.9288 1.4172 1.4172 1.7258 1.7258 1.9798 1.9798 2.1690 2.1690 2.6297 2.6297 2.7415 2.7415 3.9813 3.9813 4.1656 4.1656 9.9870 9.9870 10.2887 10.2887 10.9880 10.9880 11.1159 11.1159 k = 0.3190 0.3190 0.2806 ( 3616 PWs) bands (ev): -33.9309 -33.9309 -33.9121 -33.9121 -15.3095 -15.3095 -15.2603 -15.2603 -14.9914 -14.9914 -14.8759 -14.8759 -14.8401 -14.8401 -14.7573 -14.7573 -8.9770 -8.9770 -8.9304 -8.9304 1.3779 1.3779 1.7370 1.7370 2.0028 2.0028 2.1848 2.1848 2.6295 2.6295 2.7549 2.7549 3.9892 3.9892 4.1915 4.1915 9.9638 9.9638 10.2877 10.2877 10.9193 10.9193 11.0948 11.0948 k = 0.3103 0.3103 0.2806 ( 3616 PWs) bands (ev): -33.9320 -33.9320 -33.9116 -33.9116 -15.3091 -15.3091 -15.2574 -15.2574 -14.9903 -14.9903 -14.8751 -14.8751 -14.8384 -14.8384 -14.7557 -14.7557 -8.9829 -8.9829 -8.9323 -8.9323 1.3393 1.3393 1.7497 1.7497 2.0267 2.0267 2.2014 2.2014 2.6284 2.6284 2.7680 2.7680 3.9968 3.9968 4.2178 4.2178 9.9411 9.9411 10.2873 10.2873 10.8513 10.8513 11.0739 11.0739 k = 0.3017 0.3017 0.2806 ( 3610 PWs) bands (ev): -33.9332 -33.9332 -33.9112 -33.9112 -15.3087 -15.3087 -15.2543 -15.2543 -14.9889 -14.9889 -14.8749 -14.8749 -14.8361 -14.8361 -14.7543 -14.7543 -8.9891 -8.9891 -8.9344 -8.9344 1.3016 1.3016 1.7639 1.7639 2.0515 2.0515 2.2189 2.2189 2.6266 2.6266 2.7806 2.7806 4.0039 4.0039 4.2446 4.2446 9.9191 9.9191 10.2875 10.2875 10.7844 10.7844 11.0535 11.0535 k = 0.2931 0.2931 0.2806 ( 3610 PWs) bands (ev): -33.9344 -33.9344 -33.9107 -33.9107 -15.3083 -15.3083 -15.2511 -15.2511 -14.9873 -14.9873 -14.8752 -14.8752 -14.8334 -14.8334 -14.7529 -14.7529 -8.9957 -8.9957 -8.9369 -8.9369 1.2649 1.2649 1.7794 1.7794 2.0771 2.0771 2.2373 2.2373 2.6242 2.6242 2.7929 2.7929 4.0106 4.0106 4.2717 4.2717 9.8976 9.8976 10.2883 10.2883 10.7187 10.7187 11.0318 11.0330 k = 0.2845 0.2845 0.2806 ( 3618 PWs) bands (ev): -33.9357 -33.9357 -33.9103 -33.9103 -15.3080 -15.3080 -15.2478 -15.2478 -14.9855 -14.9855 -14.8758 -14.8758 -14.8304 -14.8304 -14.7516 -14.7516 -9.0026 -9.0026 -8.9397 -8.9397 1.2293 1.2293 1.7961 1.7961 2.1034 2.1034 2.2566 2.2566 2.6215 2.6215 2.8046 2.8046 4.0166 4.0166 4.2990 4.2990 9.8766 9.8766 10.2900 10.2900 10.6543 10.6543 10.9733 10.9733 k = 0.2759 0.2759 0.2806 ( 3618 PWs) bands (ev): -33.9369 -33.9369 -33.9098 -33.9098 -15.3076 -15.3076 -15.2445 -15.2445 -14.9835 -14.9835 -14.8766 -14.8766 -14.8271 -14.8271 -14.7504 -14.7504 -9.0098 -9.0098 -8.9428 -8.9428 1.1950 1.1950 1.8136 1.8136 2.1305 2.1305 2.2767 2.2767 2.6189 2.6189 2.8158 2.8158 4.0219 4.0219 4.3265 4.3265 9.8563 9.8563 10.2925 10.2925 10.5917 10.5917 10.9075 10.9075 k = 0.2672 0.2672 0.2806 ( 3614 PWs) bands (ev): -33.9382 -33.9382 -33.9093 -33.9093 -15.3073 -15.3073 -15.2409 -15.2409 -14.9812 -14.9812 -14.8775 -14.8775 -14.8237 -14.8237 -14.7492 -14.7492 -9.0173 -9.0173 -8.9462 -8.9462 1.1620 1.1620 1.8316 1.8316 2.1583 2.1583 2.2977 2.2977 2.6166 2.6166 2.8265 2.8265 4.0263 4.0263 4.3541 4.3541 9.8365 9.8365 10.2960 10.2960 10.5309 10.5309 10.8402 10.8402 k = 0.2586 0.2586 0.2806 ( 3612 PWs) bands (ev): -33.9395 -33.9395 -33.9088 -33.9088 -15.3069 -15.3069 -15.2373 -15.2373 -14.9788 -14.9788 -14.8786 -14.8786 -14.8201 -14.8201 -14.7481 -14.7481 -9.0251 -9.0251 -8.9500 -8.9500 1.1305 1.1305 1.8499 1.8499 2.1866 2.1866 2.3195 2.3195 2.6151 2.6151 2.8365 2.8365 4.0298 4.0298 4.3817 4.3817 9.8172 9.8172 10.3006 10.3006 10.4720 10.4720 10.7718 10.7718 k = 0.2500 0.2500 0.2806 ( 3616 PWs) bands (ev): -33.9408 -33.9408 -33.9084 -33.9084 -15.3066 -15.3066 -15.2335 -15.2335 -14.9762 -14.9762 -14.8797 -14.8797 -14.8165 -14.8165 -14.7471 -14.7471 -9.0332 -9.0332 -8.9541 -8.9541 1.1005 1.1005 1.8679 1.8679 2.2155 2.2155 2.3423 2.3423 2.6147 2.6147 2.8459 2.8459 4.0321 4.0321 4.4092 4.4092 9.7985 9.7985 10.3062 10.3062 10.4155 10.4155 10.7022 10.7022 k = 0.2414 0.2414 0.2806 ( 3612 PWs) bands (ev): -33.9420 -33.9420 -33.9079 -33.9079 -15.3063 -15.3063 -15.2296 -15.2296 -14.9735 -14.9735 -14.8809 -14.8809 -14.8129 -14.8129 -14.7461 -14.7461 -9.0415 -9.0415 -8.9585 -8.9585 1.0722 1.0722 1.8854 1.8854 2.2449 2.2449 2.3659 2.3659 2.6161 2.6161 2.8546 2.8546 4.0333 4.0333 4.4366 4.4366 9.7805 9.7805 10.3130 10.3130 10.3614 10.3614 10.6317 10.6317 k = 0.2328 0.2328 0.2806 ( 3612 PWs) bands (ev): -33.9433 -33.9433 -33.9074 -33.9074 -15.3060 -15.3060 -15.2257 -15.2257 -14.9708 -14.9708 -14.8820 -14.8820 -14.8094 -14.8094 -14.7451 -14.7451 -9.0500 -9.0500 -8.9632 -8.9632 1.0455 1.0455 1.9017 1.9017 2.2747 2.2747 2.3903 2.3903 2.6195 2.6195 2.8625 2.8625 4.0332 4.0332 4.4637 4.4637 9.7631 9.7631 10.3098 10.3098 10.3209 10.3209 10.5605 10.5605 k = 0.2241 0.2241 0.2806 ( 3608 PWs) bands (ev): -33.9446 -33.9446 -33.9069 -33.9069 -15.3057 -15.3057 -15.2216 -15.2216 -14.9679 -14.9679 -14.8831 -14.8831 -14.8059 -14.8059 -14.7441 -14.7441 -9.0586 -9.0586 -8.9682 -8.9682 1.0204 1.0204 1.9166 1.9166 2.3049 2.3049 2.4155 2.4155 2.6256 2.6256 2.8697 2.8697 4.0318 4.0318 4.4905 4.4905 9.7464 9.7464 10.2610 10.2610 10.3300 10.3300 10.4888 10.4888 k = 0.2155 0.2155 0.2806 ( 3616 PWs) bands (ev): -33.9458 -33.9458 -33.9065 -33.9065 -15.3054 -15.3054 -15.2175 -15.2175 -14.9651 -14.9651 -14.8841 -14.8841 -14.8025 -14.8025 -14.7432 -14.7432 -9.0674 -9.0674 -8.9734 -8.9734 0.9971 0.9971 1.9294 1.9294 2.3353 2.3353 2.4416 2.4416 2.6347 2.6347 2.8761 2.8761 4.0288 4.0288 4.5169 4.5169 9.7304 9.7304 10.2151 10.2151 10.3402 10.3402 10.4166 10.4166 k = 0.2069 0.2069 0.2806 ( 3616 PWs) bands (ev): -33.9471 -33.9471 -33.9060 -33.9060 -15.3051 -15.3051 -15.2133 -15.2133 -14.9622 -14.9622 -14.8851 -14.8851 -14.7992 -14.7992 -14.7422 -14.7422 -9.0762 -9.0762 -8.9790 -8.9790 0.9755 0.9755 1.9400 1.9400 2.3659 2.3659 2.4686 2.4686 2.6471 2.6471 2.8817 2.8817 4.0242 4.0242 4.5428 4.5428 9.7153 9.7153 10.1722 10.1722 10.3427 10.3427 10.3533 10.3533 k = 0.1983 0.1983 0.2806 ( 3616 PWs) bands (ev): -33.9483 -33.9483 -33.9056 -33.9056 -15.3048 -15.3048 -15.2090 -15.2090 -14.9595 -14.9595 -14.8859 -14.8859 -14.7961 -14.7961 -14.7412 -14.7412 -9.0852 -9.0852 -8.9847 -8.9847 0.9557 0.9557 1.9480 1.9480 2.3965 2.3965 2.4963 2.4963 2.6629 2.6629 2.8865 2.8865 4.0180 4.0180 4.5682 4.5682 9.7012 9.7012 10.1324 10.1324 10.2718 10.2718 10.3647 10.3647 k = 0.1897 0.1897 0.2806 ( 3612 PWs) bands (ev): -33.9495 -33.9495 -33.9051 -33.9051 -15.3045 -15.3045 -15.2047 -15.2047 -14.9568 -14.9568 -14.8866 -14.8866 -14.7932 -14.7932 -14.7401 -14.7401 -9.0941 -9.0941 -8.9907 -8.9907 0.9375 0.9375 1.9533 1.9533 2.4271 2.4271 2.5250 2.5250 2.6823 2.6823 2.8905 2.8905 4.0100 4.0100 4.5930 4.5930 9.6880 9.6880 10.0958 10.0958 10.2000 10.2000 10.3784 10.3784 k = 0.1810 0.1810 0.2806 ( 3612 PWs) bands (ev): -33.9507 -33.9507 -33.9047 -33.9047 -15.3043 -15.3043 -15.2004 -15.2004 -14.9543 -14.9543 -14.8871 -14.8871 -14.7905 -14.7905 -14.7389 -14.7389 -9.1030 -9.1030 -8.9968 -8.9968 0.9210 0.9210 1.9560 1.9560 2.4575 2.4575 2.5546 2.5546 2.7051 2.7051 2.8937 2.8937 4.0002 4.0002 4.6172 4.6172 9.6760 9.6760 10.0624 10.0624 10.1289 10.1289 10.3932 10.3932 k = 0.1724 0.1724 0.2806 ( 3616 PWs) bands (ev): -33.9518 -33.9518 -33.9043 -33.9043 -15.3040 -15.3040 -15.1960 -15.1960 -14.9520 -14.9520 -14.8874 -14.8874 -14.7881 -14.7881 -14.7376 -14.7376 -9.1119 -9.1119 -9.0030 -9.0030 0.9062 0.9062 1.9561 1.9561 2.4877 2.4877 2.5850 2.5850 2.7311 2.7311 2.8962 2.8962 3.9887 3.9887 4.6406 4.6406 9.6652 9.6652 10.0322 10.0322 10.0586 10.0586 10.4088 10.4088 k = 0.1638 0.1638 0.2806 ( 3618 PWs) bands (ev): -33.9529 -33.9529 -33.9039 -33.9039 -15.3037 -15.3037 -15.1917 -15.1917 -14.9499 -14.9499 -14.8875 -14.8875 -14.7859 -14.7859 -14.7362 -14.7362 -9.1207 -9.1207 -9.0093 -9.0093 0.8929 0.8929 1.9540 1.9540 2.5174 2.5174 2.6164 2.6164 2.7597 2.7597 2.8980 2.8980 3.9752 3.9752 4.6632 4.6632 9.6557 9.6557 9.9888 9.9888 10.0060 10.0060 10.4252 10.4252 k = 0.1552 0.1552 0.2806 ( 3622 PWs) bands (ev): -33.9540 -33.9540 -33.9035 -33.9035 -15.3035 -15.3035 -15.1873 -15.1873 -14.9482 -14.9482 -14.8874 -14.8874 -14.7841 -14.7841 -14.7346 -14.7346 -9.1293 -9.1293 -9.0157 -9.0157 0.8812 0.8812 1.9499 1.9499 2.5467 2.5467 2.6486 2.6486 2.7907 2.7907 2.8990 2.8990 3.9599 3.9599 4.6850 4.6850 9.6475 9.6475 9.9213 9.9213 9.9821 9.9821 10.4421 10.4421 k = 0.1466 0.1466 0.2806 ( 3618 PWs) bands (ev): -33.9550 -33.9550 -33.9031 -33.9031 -15.3032 -15.3032 -15.1830 -15.1830 -14.9467 -14.9467 -14.8870 -14.8870 -14.7825 -14.7825 -14.7329 -14.7329 -9.1377 -9.1377 -9.0221 -9.0221 0.8709 0.8709 1.9442 1.9442 2.5752 2.5752 2.6817 2.6817 2.8235 2.8235 2.8995 2.8995 3.9428 3.9428 4.7059 4.7059 9.6407 9.6407 9.8554 9.8554 9.9616 9.9616 10.4552 10.4571 k = 0.1379 0.1379 0.2806 ( 3618 PWs) bands (ev): -33.9560 -33.9560 -33.9027 -33.9027 -15.3029 -15.3029 -15.1787 -15.1787 -14.9456 -14.9456 -14.8863 -14.8863 -14.7812 -14.7812 -14.7310 -14.7310 -9.1459 -9.1459 -9.0285 -9.0285 0.8620 0.8620 1.9371 1.9371 2.6030 2.6030 2.7156 2.7156 2.8576 2.8576 2.8995 2.8995 3.9237 3.9237 4.7258 4.7258 9.6354 9.6354 9.7913 9.7913 9.9442 9.9442 10.4042 10.4042 k = 0.1293 0.1293 0.2806 ( 3614 PWs) bands (ev): -33.9570 -33.9570 -33.9024 -33.9024 -15.3026 -15.3026 -15.1745 -15.1745 -14.9447 -14.9447 -14.8854 -14.8854 -14.7802 -14.7802 -14.7291 -14.7291 -9.1538 -9.1538 -9.0347 -9.0347 0.8544 0.8544 1.9290 1.9290 2.6299 2.6299 2.7502 2.7502 2.8918 2.8918 2.8998 2.8998 3.9029 3.9029 4.7448 4.7448 9.6316 9.6316 9.7295 9.7295 9.9297 9.9297 10.3543 10.3543 k = 0.1207 0.1207 0.2806 ( 3614 PWs) bands (ev): -33.9579 -33.9579 -33.9020 -33.9020 -15.3023 -15.3023 -15.1704 -15.1704 -14.9442 -14.9442 -14.8843 -14.8843 -14.7795 -14.7795 -14.7270 -14.7270 -9.1615 -9.1615 -9.0409 -9.0409 0.8479 0.8479 1.9203 1.9203 2.6556 2.6556 2.7853 2.7853 2.8977 2.8977 2.9285 2.9285 3.8804 3.8804 4.7627 4.7627 9.6293 9.6293 9.6702 9.6702 9.9180 9.9180 10.3062 10.3062 k = 0.1121 0.1121 0.2806 ( 3614 PWs) bands (ev): -33.9587 -33.9587 -33.9017 -33.9017 -15.3020 -15.3020 -15.1665 -15.1665 -14.9441 -14.9441 -14.8830 -14.8830 -14.7790 -14.7790 -14.7249 -14.7249 -9.1687 -9.1687 -9.0468 -9.0468 0.8426 0.8426 1.9111 1.9111 2.6801 2.6801 2.8209 2.8209 2.8968 2.8968 2.9638 2.9638 3.8561 3.8561 4.7795 4.7795 9.6132 9.6132 9.6291 9.6291 9.9089 9.9089 10.2600 10.2600 k = 0.1034 0.1034 0.2806 ( 3616 PWs) bands (ev): -33.9596 -33.9596 -33.9014 -33.9014 -15.3018 -15.3018 -15.1626 -15.1626 -14.9441 -14.9441 -14.8816 -14.8816 -14.7787 -14.7787 -14.7228 -14.7228 -9.1756 -9.1756 -9.0526 -9.0526 0.8382 0.8382 1.9018 1.9018 2.7032 2.7032 2.8564 2.8564 2.8961 2.8961 2.9987 2.9987 3.8304 3.8304 4.7952 4.7952 9.5600 9.5600 9.6297 9.6297 9.9021 9.9021 10.2158 10.2158 k = 0.0948 0.0948 0.2806 ( 3612 PWs) bands (ev): -33.9603 -33.9603 -33.9012 -33.9012 -15.3015 -15.3015 -15.1589 -15.1589 -14.9444 -14.9444 -14.8800 -14.8800 -14.7786 -14.7786 -14.7207 -14.7207 -9.1821 -9.1821 -9.0581 -9.0581 0.8347 0.8347 1.8925 1.8925 2.7247 2.7247 2.8865 2.8865 2.9011 2.9011 3.0327 3.0327 3.8032 3.8032 4.8098 4.8098 9.5098 9.5098 9.6320 9.6320 9.8974 9.8974 10.1738 10.1738 k = 0.0862 0.0862 0.2806 ( 3616 PWs) bands (ev): -33.9610 -33.9610 -33.9009 -33.9009 -15.3013 -15.3013 -15.1554 -15.1554 -14.9449 -14.9449 -14.8785 -14.8785 -14.7786 -14.7786 -14.7186 -14.7186 -9.1882 -9.1882 -9.0632 -9.0632 0.8319 0.8319 1.8835 1.8835 2.7445 2.7445 2.8908 2.8908 2.9321 2.9321 3.0655 3.0655 3.7747 3.7747 4.8232 4.8232 9.4631 9.4631 9.6358 9.6358 9.8945 9.8945 10.1341 10.1341 k = 0.0776 0.0776 0.2806 ( 3616 PWs) bands (ev): -33.9616 -33.9616 -33.9007 -33.9007 -15.3011 -15.3011 -15.1521 -15.1521 -14.9455 -14.9455 -14.8769 -14.8769 -14.7787 -14.7787 -14.7166 -14.7166 -9.1937 -9.1937 -9.0681 -9.0681 0.8299 0.8299 1.8749 1.8749 2.7622 2.7622 2.8905 2.8905 2.9679 2.9679 3.0967 3.0967 3.7452 3.7452 4.8354 4.8354 9.4201 9.4201 9.6409 9.6409 9.8931 9.8931 10.0967 10.0967 k = 0.0690 0.0690 0.2806 ( 3620 PWs) bands (ev): -33.9622 -33.9622 -33.9005 -33.9005 -15.3009 -15.3009 -15.1491 -15.1491 -14.9461 -14.9461 -14.8754 -14.8754 -14.7789 -14.7789 -14.7148 -14.7148 -9.1988 -9.1988 -9.0725 -9.0725 0.8283 0.8283 1.8669 1.8669 2.7777 2.7777 2.8903 2.8903 3.0037 3.0037 3.1260 3.1260 3.7148 3.7148 4.8464 4.8464 9.3810 9.3810 9.6473 9.6473 9.8930 9.8930 10.0617 10.0617 k = 0.0603 0.0603 0.2806 ( 3616 PWs) bands (ev): -33.9627 -33.9627 -33.9003 -33.9003 -15.3007 -15.3007 -15.1464 -15.1464 -14.9468 -14.9468 -14.8739 -14.8739 -14.7792 -14.7792 -14.7131 -14.7131 -9.2033 -9.2033 -9.0765 -9.0765 0.8272 0.8272 1.8595 1.8595 2.7909 2.7909 2.8906 2.8906 3.0387 3.0387 3.1534 3.1534 3.6839 3.6839 4.8561 4.8561 9.3460 9.3460 9.6547 9.6547 9.8937 9.8937 10.0294 10.0294 k = 0.0517 0.0517 0.2806 ( 3604 PWs) bands (ev): -33.9631 -33.9631 -33.9001 -33.9001 -15.3005 -15.3005 -15.1439 -15.1439 -14.9475 -14.9475 -14.8725 -14.8725 -14.7794 -14.7794 -14.7115 -14.7115 -9.2073 -9.2073 -9.0800 -9.0800 0.8265 0.8265 1.8530 1.8530 2.8016 2.8016 2.8917 2.8917 3.0723 3.0723 3.1786 3.1786 3.6530 3.6530 4.8646 4.8646 9.3154 9.3154 9.6630 9.6630 9.8951 9.8951 9.9999 9.9999 k = 0.0431 0.0431 0.2806 ( 3596 PWs) bands (ev): -33.9635 -33.9635 -33.9000 -33.9000 -15.3004 -15.3004 -15.1417 -15.1417 -14.9481 -14.9481 -14.8713 -14.8713 -14.7796 -14.7796 -14.7101 -14.7101 -9.2107 -9.2107 -9.0831 -9.0831 0.8260 0.8260 1.8473 1.8473 2.8098 2.8098 2.8934 2.8934 3.1037 3.1037 3.2017 3.2017 3.6225 3.6225 4.8718 4.8718 9.2892 9.2892 9.6717 9.6717 9.8968 9.8968 9.9735 9.9735 k = 0.0345 0.0345 0.2806 ( 3596 PWs) bands (ev): -33.9638 -33.9638 -33.8999 -33.8999 -15.3002 -15.3002 -15.1399 -15.1399 -14.9487 -14.9487 -14.8703 -14.8703 -14.7799 -14.7799 -14.7090 -14.7090 -9.2134 -9.2134 -9.0856 -9.0856 0.8258 0.8258 1.8425 1.8425 2.8158 2.8158 2.8956 2.8956 3.1317 3.1317 3.2229 3.2229 3.5932 3.5932 4.8777 4.8777 9.2676 9.2676 9.6805 9.6805 9.8984 9.8984 9.9505 9.9505 k = 0.0259 0.0259 0.2806 ( 3600 PWs) bands (ev): -33.9640 -33.9640 -33.8998 -33.8998 -15.3002 -15.3002 -15.1385 -15.1385 -14.9492 -14.9492 -14.8696 -14.8696 -14.7801 -14.7801 -14.7081 -14.7081 -9.2156 -9.2156 -9.0876 -9.0876 0.8256 0.8256 1.8387 1.8387 2.8198 2.8198 2.8978 2.8978 3.1550 3.1550 3.2419 3.2419 3.5665 3.5665 4.8823 4.8823 9.2506 9.2506 9.6887 9.6887 9.8997 9.8997 9.9316 9.9316 k = 0.0172 0.0172 0.2806 ( 3596 PWs) bands (ev): -33.9642 -33.9642 -33.8997 -33.8997 -15.3001 -15.3001 -15.1374 -15.1374 -14.9496 -14.9496 -14.8690 -14.8690 -14.7802 -14.7802 -14.7075 -14.7075 -9.2172 -9.2172 -9.0890 -9.0890 0.8256 0.8256 1.8360 1.8360 2.8224 2.8224 2.8998 2.8998 3.1723 3.1723 3.2582 3.2582 3.5442 3.5442 4.8856 4.8856 9.2385 9.2385 9.6955 9.6955 9.8999 9.8999 9.9180 9.9180 k = 0.0086 0.0086 0.2806 ( 3604 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1368 -15.1368 -14.9498 -14.9498 -14.8686 -14.8686 -14.7803 -14.7803 -14.7071 -14.7071 -9.2182 -9.2182 -9.0899 -9.0899 0.8255 0.8255 1.8344 1.8344 2.8238 2.8238 2.9011 2.9011 3.1828 3.1828 3.2697 3.2697 3.5289 3.5289 4.8875 4.8875 9.2312 9.2312 9.7002 9.7002 9.8984 9.8984 9.9111 9.9111 k = 0.0000 0.0000 0.2806 ( 3596 PWs) bands (ev): -33.9643 -33.9643 -33.8997 -33.8997 -15.3001 -15.3001 -15.1366 -15.1366 -14.9499 -14.9499 -14.8685 -14.8685 -14.7803 -14.7803 -14.7069 -14.7069 -9.2185 -9.2185 -9.0902 -9.0902 0.8255 0.8255 1.8338 1.8338 2.8242 2.8242 2.9016 2.9016 3.1864 3.1864 3.2740 3.2740 3.5235 3.5235 4.8882 4.8882 9.2287 9.2287 9.7018 9.7018 9.8971 9.8971 9.9094 9.9094 k = 0.0000 0.5000-0.0000 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2995 -15.2995 -15.2995 -15.2995 -14.9155 -14.9155 -14.9155 -14.9155 -14.7746 -14.7746 -14.7746 -14.7746 -8.9531 -8.9531 -8.9531 -8.9531 1.2108 1.2108 1.2108 1.2108 2.1775 2.1775 2.1775 2.1775 2.9417 2.9417 2.9417 2.9417 4.5035 4.5035 4.5035 4.5035 9.9092 9.9092 9.9092 9.9092 9.9782 9.9782 9.9782 9.9782 k = 0.0000 0.5000 0.0122 ( 3622 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2994 -15.2994 -15.2994 -15.2994 -14.9155 -14.9155 -14.9155 -14.9155 -14.7745 -14.7745 -14.7745 -14.7745 -8.9531 -8.9531 -8.9531 -8.9531 1.2090 1.2090 1.2090 1.2090 2.1803 2.1803 2.1803 2.1803 2.9417 2.9417 2.9417 2.9417 4.5016 4.5016 4.5016 4.5016 9.9124 9.9124 9.9124 9.9124 9.9789 9.9789 9.9789 9.9789 k = 0.0000 0.5000 0.0244 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2995 -15.2995 -15.2995 -15.2995 -14.9155 -14.9155 -14.9155 -14.9155 -14.7745 -14.7745 -14.7745 -14.7745 -8.9530 -8.9530 -8.9530 -8.9530 1.2038 1.2038 1.2038 1.2038 2.1887 2.1887 2.1887 2.1887 2.9416 2.9416 2.9416 2.9416 4.4957 4.4957 4.4957 4.4957 9.9219 9.9219 9.9219 9.9219 9.9810 9.9810 9.9810 9.9810 k = 0.0000 0.5000 0.0366 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2995 -15.2995 -15.2995 -15.2995 -14.9155 -14.9155 -14.9155 -14.9155 -14.7745 -14.7745 -14.7745 -14.7745 -8.9529 -8.9529 -8.9529 -8.9529 1.1954 1.1954 1.1954 1.1954 2.2023 2.2023 2.2023 2.2023 2.9415 2.9415 2.9415 2.9415 4.4861 4.4861 4.4861 4.4861 9.9375 9.9375 9.9375 9.9375 9.9845 9.9845 9.9845 9.9845 k = 0.0000 0.5000 0.0488 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2996 -15.2996 -15.2996 -15.2996 -14.9155 -14.9155 -14.9155 -14.9155 -14.7745 -14.7745 -14.7745 -14.7745 -8.9527 -8.9527 -8.9527 -8.9527 1.1841 1.1841 1.1841 1.1841 2.2208 2.2208 2.2208 2.2208 2.9414 2.9414 2.9414 2.9414 4.4728 4.4728 4.4728 4.4728 9.9588 9.9588 9.9588 9.9588 9.9894 9.9894 9.9894 9.9894 k = 0.0000 0.5000 0.0610 ( 3632 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2997 -15.2997 -15.2997 -15.2997 -14.9155 -14.9155 -14.9155 -14.9155 -14.7744 -14.7744 -14.7744 -14.7744 -8.9525 -8.9525 -8.9525 -8.9525 1.1704 1.1704 1.1704 1.1704 2.2437 2.2437 2.2437 2.2437 2.9413 2.9413 2.9413 2.9413 4.4561 4.4561 4.4561 4.4561 9.9849 9.9849 9.9849 9.9849 9.9964 9.9964 9.9964 9.9964 k = 0.0000 0.5000 0.0732 ( 3632 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2998 -15.2998 -15.2998 -15.2998 -14.9155 -14.9155 -14.9155 -14.9155 -14.7744 -14.7744 -14.7744 -14.7744 -8.9522 -8.9522 -8.9522 -8.9522 1.1549 1.1549 1.1549 1.1549 2.2704 2.2704 2.2704 2.2704 2.9411 2.9411 2.9411 2.9411 4.4361 4.4361 4.4361 4.4361 10.0012 10.0012 10.0012 10.0012 10.0191 10.0191 10.0191 10.0191 k = 0.0000 0.5000 0.0854 ( 3626 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2998 -15.2998 -15.2998 -15.2998 -14.9155 -14.9155 -14.9155 -14.9155 -14.7743 -14.7743 -14.7743 -14.7743 -8.9519 -8.9519 -8.9519 -8.9519 1.1379 1.1379 1.1379 1.1379 2.3003 2.3003 2.3003 2.3003 2.9409 2.9409 2.9409 2.9409 4.4132 4.4132 4.4132 4.4132 10.0100 10.0100 10.0100 10.0100 10.0547 10.0547 10.0547 10.0547 k = 0.0000 0.5000 0.0976 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.2999 -15.2999 -15.2999 -15.2999 -14.9155 -14.9155 -14.9155 -14.9155 -14.7742 -14.7742 -14.7742 -14.7742 -8.9515 -8.9515 -8.9515 -8.9515 1.1200 1.1200 1.1200 1.1200 2.3329 2.3329 2.3329 2.3329 2.9407 2.9407 2.9407 2.9407 4.3876 4.3876 4.3876 4.3876 10.0193 10.0193 10.0193 10.0193 10.0941 10.0941 10.0941 10.0941 k = 0.0000 0.5000 0.1098 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3000 -15.3000 -15.3000 -15.3000 -14.9155 -14.9155 -14.9155 -14.9155 -14.7741 -14.7741 -14.7741 -14.7741 -8.9511 -8.9511 -8.9511 -8.9511 1.1015 1.1015 1.1015 1.1015 2.3675 2.3675 2.3675 2.3675 2.9405 2.9405 2.9405 2.9405 4.3597 4.3597 4.3597 4.3597 10.0293 10.0293 10.0293 10.0293 10.1359 10.1359 10.1359 10.1359 k = 0.0000 0.5000 0.1220 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3002 -15.3002 -15.3002 -15.3002 -14.9155 -14.9155 -14.9155 -14.9155 -14.7740 -14.7740 -14.7740 -14.7740 -8.9507 -8.9507 -8.9507 -8.9507 1.0830 1.0830 1.0830 1.0830 2.4036 2.4036 2.4036 2.4036 2.9404 2.9404 2.9404 2.9404 4.3300 4.3300 4.3300 4.3300 10.0399 10.0399 10.0399 10.0399 10.1787 10.1787 10.1787 10.1787 k = 0.0000 0.5000 0.1342 ( 3636 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3003 -15.3003 -15.3003 -15.3003 -14.9156 -14.9156 -14.9156 -14.9156 -14.7740 -14.7740 -14.7740 -14.7740 -8.9504 -8.9504 -8.9504 -8.9504 1.0647 1.0647 1.0647 1.0647 2.4407 2.4407 2.4407 2.4407 2.9402 2.9402 2.9402 2.9402 4.2988 4.2988 4.2988 4.2988 10.0509 10.0509 10.0509 10.0510 10.2210 10.2210 10.2210 10.2210 k = 0.0000 0.5000 0.1464 ( 3644 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3005 -15.3005 -15.3005 -15.3005 -14.9156 -14.9156 -14.9156 -14.9156 -14.7739 -14.7739 -14.7739 -14.7739 -8.9499 -8.9499 -8.9499 -8.9499 1.0469 1.0469 1.0469 1.0469 2.4782 2.4782 2.4782 2.4782 2.9401 2.9401 2.9401 2.9401 4.2667 4.2667 4.2667 4.2667 10.0622 10.0622 10.0622 10.0622 10.2614 10.2614 10.2614 10.2614 k = 0.0000 0.5000 0.1586 ( 3640 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3006 -15.3006 -15.3006 -15.3006 -14.9156 -14.9156 -14.9156 -14.9156 -14.7738 -14.7738 -14.7738 -14.7738 -8.9495 -8.9495 -8.9495 -8.9495 1.0299 1.0299 1.0299 1.0299 2.5156 2.5156 2.5156 2.5156 2.9400 2.9400 2.9400 2.9400 4.2341 4.2341 4.2341 4.2341 10.0737 10.0737 10.0737 10.0737 10.2982 10.2982 10.2982 10.2982 k = 0.0000 0.5000 0.1708 ( 3636 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3007 -15.3007 -15.3007 -15.3007 -14.9156 -14.9156 -14.9156 -14.9156 -14.7737 -14.7737 -14.7737 -14.7737 -8.9491 -8.9491 -8.9491 -8.9491 1.0140 1.0140 1.0140 1.0140 2.5523 2.5523 2.5523 2.5523 2.9400 2.9400 2.9400 2.9400 4.2016 4.2016 4.2016 4.2016 10.0849 10.0849 10.0849 10.0849 10.3305 10.3305 10.3305 10.3305 k = 0.0000 0.5000 0.1830 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3008 -15.3008 -15.3008 -15.3008 -14.9156 -14.9156 -14.9156 -14.9156 -14.7736 -14.7736 -14.7736 -14.7736 -8.9488 -8.9488 -8.9488 -8.9488 0.9993 0.9993 0.9993 0.9993 2.5876 2.5876 2.5876 2.5876 2.9401 2.9401 2.9401 2.9401 4.1698 4.1698 4.1698 4.1698 10.0959 10.0959 10.0959 10.0959 10.3576 10.3576 10.3576 10.3576 k = 0.0000 0.5000 0.1952 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3009 -15.3009 -15.3009 -15.3009 -14.9156 -14.9156 -14.9156 -14.9156 -14.7735 -14.7735 -14.7735 -14.7735 -8.9484 -8.9484 -8.9484 -8.9484 0.9859 0.9859 0.9859 0.9859 2.6210 2.6210 2.6210 2.6210 2.9402 2.9402 2.9402 2.9402 4.1393 4.1393 4.1393 4.1393 10.1062 10.1062 10.1062 10.1062 10.3797 10.3797 10.3797 10.3797 k = 0.0000 0.5000 0.2074 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3010 -15.3010 -15.3010 -15.3010 -14.9156 -14.9156 -14.9156 -14.9156 -14.7735 -14.7735 -14.7735 -14.7735 -8.9481 -8.9481 -8.9481 -8.9481 0.9741 0.9741 0.9741 0.9741 2.6518 2.6518 2.6518 2.6518 2.9405 2.9405 2.9405 2.9405 4.1109 4.1109 4.1109 4.1109 10.1156 10.1156 10.1156 10.1156 10.3972 10.3972 10.3972 10.3972 k = 0.0000 0.5000 0.2196 ( 3632 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3011 -15.3011 -15.3011 -15.3011 -14.9156 -14.9156 -14.9156 -14.9156 -14.7734 -14.7734 -14.7734 -14.7734 -8.9478 -8.9478 -8.9478 -8.9478 0.9639 0.9639 0.9639 0.9639 2.6793 2.6793 2.6793 2.6793 2.9408 2.9408 2.9408 2.9408 4.0851 4.0851 4.0851 4.0851 10.1241 10.1241 10.1241 10.1241 10.4108 10.4108 10.4108 10.4108 k = 0.0000 0.5000 0.2318 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3011 -15.3011 -15.3011 -15.3011 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9476 -8.9476 -8.9476 -8.9476 0.9555 0.9555 0.9555 0.9555 2.7029 2.7029 2.7029 2.7029 2.9413 2.9413 2.9413 2.9413 4.0627 4.0627 4.0627 4.0627 10.1313 10.1313 10.1313 10.1313 10.4212 10.4212 10.4212 10.4212 k = 0.0000 0.5000 0.2440 ( 3628 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3012 -15.3012 -15.3012 -15.3012 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9474 -8.9474 -8.9474 -8.9474 0.9488 0.9488 0.9488 0.9488 2.7220 2.7220 2.7220 2.7220 2.9417 2.9417 2.9417 2.9417 4.0444 4.0444 4.0444 4.0444 10.1371 10.1371 10.1371 10.1371 10.4288 10.4288 10.4288 10.4288 k = 0.0000 0.5000 0.2562 ( 3624 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3012 -15.3012 -15.3012 -15.3012 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9473 -8.9473 -8.9473 -8.9473 0.9440 0.9440 0.9440 0.9440 2.7361 2.7361 2.7361 2.7361 2.9421 2.9421 2.9421 2.9421 4.0308 4.0308 4.0308 4.0308 10.1414 10.1414 10.1414 10.1414 10.4340 10.4340 10.4340 10.4340 k = 0.0000 0.5000 0.2684 ( 3632 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3013 -15.3013 -15.3013 -15.3013 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9472 -8.9472 -8.9472 -8.9472 0.9411 0.9411 0.9411 0.9411 2.7447 2.7447 2.7447 2.7447 2.9424 2.9424 2.9424 2.9424 4.0224 4.0224 4.0224 4.0224 10.1440 10.1440 10.1440 10.1440 10.4370 10.4370 10.4370 10.4370 k = 0.0000 0.5000 0.2806 ( 3636 PWs) bands (ev): -33.9245 -33.9245 -33.9245 -33.9245 -15.3013 -15.3013 -15.3013 -15.3013 -14.9156 -14.9156 -14.9156 -14.9156 -14.7733 -14.7733 -14.7733 -14.7733 -8.9472 -8.9472 -8.9472 -8.9472 0.9402 0.9402 0.9402 0.9402 2.7476 2.7476 2.7476 2.7476 2.9425 2.9425 2.9425 2.9425 4.0196 4.0196 4.0196 4.0196 10.1448 10.1448 10.1448 10.1448 10.4379 10.4379 10.4379 10.4379 k = 0.5000 0.5000-0.0000 ( 3576 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9540 -14.9540 -14.9540 -14.9540 -14.8028 -14.8028 -14.8028 -14.8028 -8.9316 -8.9316 -8.9316 -8.9316 1.6077 1.6077 1.6077 1.6077 2.2817 2.2817 2.2817 2.2817 2.6087 2.6087 2.6087 2.6087 3.6766 3.6766 3.6766 3.6766 9.4325 9.4325 9.4325 9.4325 11.5532 11.5532 11.5532 11.5532 k = 0.5000 0.5000 0.0122 ( 3584 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9541 -14.9541 -14.9541 -14.9541 -14.8029 -14.8029 -14.8029 -14.8029 -8.9316 -8.9316 -8.9316 -8.9316 1.6081 1.6081 1.6081 1.6081 2.2806 2.2806 2.2806 2.2806 2.6082 2.6082 2.6082 2.6082 3.6776 3.6776 3.6776 3.6776 9.4356 9.4356 9.4356 9.4356 11.5530 11.5530 11.5530 11.5530 k = 0.5000 0.5000 0.0244 ( 3596 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9541 -14.9541 -14.9541 -14.9541 -14.8029 -14.8029 -14.8029 -14.8029 -8.9315 -8.9315 -8.9315 -8.9315 1.6094 1.6094 1.6094 1.6094 2.2774 2.2774 2.2774 2.2774 2.6067 2.6067 2.6067 2.6067 3.6805 3.6805 3.6805 3.6805 9.4448 9.4448 9.4448 9.4448 11.5525 11.5525 11.5525 11.5525 k = 0.5000 0.5000 0.0366 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9542 -14.9542 -14.9542 -14.9542 -14.8030 -14.8030 -14.8030 -14.8030 -8.9313 -8.9313 -8.9313 -8.9313 1.6114 1.6114 1.6114 1.6114 2.2719 2.2719 2.2719 2.2719 2.6042 2.6042 2.6042 2.6042 3.6853 3.6853 3.6853 3.6853 9.4600 9.4600 9.4600 9.4600 11.5517 11.5517 11.5517 11.5517 k = 0.5000 0.5000 0.0488 ( 3608 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9542 -14.9542 -14.9542 -14.9542 -14.8030 -14.8030 -14.8030 -14.8030 -8.9312 -8.9312 -8.9312 -8.9312 1.6143 1.6143 1.6143 1.6143 2.2645 2.2645 2.2645 2.2645 2.6008 2.6008 2.6008 2.6008 3.6920 3.6920 3.6920 3.6920 9.4812 9.4812 9.4812 9.4812 11.5505 11.5505 11.5505 11.5505 k = 0.5000 0.5000 0.0610 ( 3608 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9542 -14.9542 -14.9542 -14.9542 -14.8030 -14.8030 -14.8030 -14.8030 -8.9309 -8.9309 -8.9309 -8.9309 1.6179 1.6179 1.6179 1.6179 2.2552 2.2552 2.2552 2.2552 2.5966 2.5966 2.5966 2.5966 3.7002 3.7002 3.7002 3.7002 9.5081 9.5081 9.5081 9.5081 11.5490 11.5490 11.5490 11.5490 k = 0.5000 0.5000 0.0732 ( 3608 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9542 -14.9542 -14.9542 -14.9542 -14.8030 -14.8030 -14.8030 -14.8030 -8.9306 -8.9306 -8.9306 -8.9306 1.6223 1.6223 1.6223 1.6223 2.2442 2.2442 2.2442 2.2442 2.5916 2.5916 2.5916 2.5916 3.7099 3.7099 3.7099 3.7099 9.5405 9.5405 9.5405 9.5405 11.5470 11.5470 11.5470 11.5470 k = 0.5000 0.5000 0.0854 ( 3612 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9543 -14.9543 -14.9543 -14.9543 -14.8030 -14.8030 -14.8030 -14.8030 -8.9303 -8.9303 -8.9303 -8.9303 1.6275 1.6275 1.6275 1.6275 2.2316 2.2316 2.2316 2.2316 2.5859 2.5859 2.5859 2.5859 3.7208 3.7208 3.7208 3.7208 9.5780 9.5780 9.5780 9.5780 11.5445 11.5445 11.5445 11.5445 k = 0.5000 0.5000 0.0976 ( 3604 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9542 -14.9542 -14.9542 -14.9542 -14.8031 -14.8031 -14.8031 -14.8031 -8.9300 -8.9300 -8.9300 -8.9300 1.6334 1.6334 1.6334 1.6334 2.2177 2.2177 2.2177 2.2177 2.5797 2.5797 2.5797 2.5797 3.7327 3.7327 3.7327 3.7327 9.6204 9.6204 9.6204 9.6204 11.5414 11.5414 11.5414 11.5414 k = 0.5000 0.5000 0.1098 ( 3612 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9543 -14.9543 -14.9543 -14.9543 -14.8031 -14.8031 -14.8031 -14.8031 -8.9296 -8.9296 -8.9296 -8.9296 1.6399 1.6399 1.6399 1.6399 2.2026 2.2026 2.2026 2.2026 2.5731 2.5731 2.5731 2.5731 3.7453 3.7453 3.7453 3.7453 9.6672 9.6672 9.6672 9.6672 11.5376 11.5376 11.5376 11.5376 k = 0.5000 0.5000 0.1220 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9543 -14.9543 -14.9543 -14.9543 -14.8032 -14.8032 -14.8032 -14.8032 -8.9292 -8.9292 -8.9292 -8.9292 1.6472 1.6472 1.6472 1.6472 2.1867 2.1867 2.1867 2.1867 2.5662 2.5662 2.5662 2.5662 3.7584 3.7584 3.7584 3.7584 9.7179 9.7179 9.7179 9.7179 11.5331 11.5331 11.5331 11.5331 k = 0.5000 0.5000 0.1342 ( 3608 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9543 -14.9543 -14.9543 -14.9543 -14.8032 -14.8032 -14.8032 -14.8032 -8.9288 -8.9288 -8.9288 -8.9288 1.6550 1.6550 1.6550 1.6550 2.1700 2.1700 2.1700 2.1700 2.5591 2.5591 2.5591 2.5591 3.7717 3.7717 3.7717 3.7717 9.7719 9.7719 9.7719 9.7719 11.5276 11.5276 11.5276 11.5276 k = 0.5000 0.5000 0.1464 ( 3600 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9543 -14.9543 -14.9543 -14.9543 -14.8032 -14.8032 -14.8032 -14.8032 -8.9284 -8.9284 -8.9284 -8.9284 1.6633 1.6633 1.6633 1.6633 2.1530 2.1530 2.1530 2.1530 2.5520 2.5520 2.5520 2.5520 3.7849 3.7849 3.7849 3.7849 9.8286 9.8286 9.8286 9.8286 11.5211 11.5211 11.5211 11.5211 k = 0.5000 0.5000 0.1586 ( 3600 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9544 -14.9544 -14.9544 -14.9544 -14.8032 -14.8032 -14.8032 -14.8032 -8.9280 -8.9280 -8.9280 -8.9280 1.6720 1.6720 1.6720 1.6720 2.1357 2.1357 2.1357 2.1357 2.5450 2.5450 2.5450 2.5450 3.7979 3.7979 3.7979 3.7979 9.8872 9.8872 9.8872 9.8872 11.5135 11.5135 11.5135 11.5135 k = 0.5000 0.5000 0.1708 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9544 -14.9544 -14.9544 -14.9544 -14.8033 -14.8033 -14.8033 -14.8033 -8.9276 -8.9276 -8.9276 -8.9276 1.6811 1.6811 1.6811 1.6811 2.1185 2.1185 2.1185 2.1185 2.5382 2.5382 2.5382 2.5382 3.8104 3.8104 3.8104 3.8104 9.9468 9.9468 9.9468 9.9468 11.5045 11.5045 11.5045 11.5045 k = 0.5000 0.5000 0.1830 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9545 -14.9545 -14.9545 -14.9545 -14.8033 -14.8033 -14.8033 -14.8033 -8.9272 -8.9272 -8.9272 -8.9272 1.6903 1.6903 1.6903 1.6903 2.1016 2.1016 2.1016 2.1016 2.5318 2.5318 2.5318 2.5318 3.8222 3.8222 3.8222 3.8222 10.0065 10.0065 10.0065 10.0065 11.4944 11.4944 11.4944 11.4944 k = 0.5000 0.5000 0.1952 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9545 -14.9545 -14.9545 -14.9545 -14.8034 -14.8034 -14.8034 -14.8034 -8.9268 -8.9268 -8.9268 -8.9268 1.6996 1.6996 1.6996 1.6996 2.0854 2.0854 2.0854 2.0854 2.5258 2.5258 2.5258 2.5258 3.8330 3.8330 3.8330 3.8330 10.0650 10.0650 10.0650 10.0650 11.4830 11.4830 11.4830 11.4830 k = 0.5000 0.5000 0.2074 ( 3616 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9545 -14.9545 -14.9545 -14.9545 -14.8034 -14.8034 -14.8034 -14.8034 -8.9265 -8.9265 -8.9265 -8.9265 1.7086 1.7086 1.7086 1.7086 2.0701 2.0701 2.0701 2.0701 2.5204 2.5204 2.5204 2.5204 3.8428 3.8428 3.8428 3.8428 10.1211 10.1211 10.1211 10.1211 11.4707 11.4707 11.4707 11.4707 k = 0.5000 0.5000 0.2196 ( 3624 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9546 -14.9546 -14.9546 -14.9546 -14.8035 -14.8035 -14.8035 -14.8035 -8.9262 -8.9262 -8.9262 -8.9262 1.7171 1.7171 1.7171 1.7171 2.0561 2.0561 2.0561 2.0561 2.5157 2.5157 2.5157 2.5157 3.8514 3.8514 3.8514 3.8514 10.1731 10.1731 10.1731 10.1731 11.4579 11.4579 11.4579 11.4579 k = 0.5000 0.5000 0.2318 ( 3624 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9546 -14.9546 -14.9546 -14.9546 -14.8035 -14.8035 -14.8035 -14.8035 -8.9260 -8.9260 -8.9260 -8.9260 1.7249 1.7249 1.7249 1.7249 2.0437 2.0437 2.0437 2.0437 2.5117 2.5117 2.5117 2.5117 3.8586 3.8586 3.8586 3.8586 10.2193 10.2193 10.2193 10.2193 11.4452 11.4452 11.4452 11.4452 k = 0.5000 0.5000 0.2440 ( 3632 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9546 -14.9546 -14.9546 -14.9546 -14.8035 -14.8035 -14.8035 -14.8035 -8.9258 -8.9258 -8.9258 -8.9258 1.7315 1.7315 1.7315 1.7315 2.0335 2.0335 2.0335 2.0335 2.5085 2.5085 2.5085 2.5085 3.8643 3.8643 3.8643 3.8643 10.2580 10.2580 10.2580 10.2580 11.4336 11.4336 11.4336 11.4336 k = 0.5000 0.5000 0.2562 ( 3624 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9546 -14.9546 -14.9546 -14.9546 -14.8035 -14.8035 -14.8035 -14.8035 -8.9257 -8.9257 -8.9257 -8.9257 1.7366 1.7366 1.7366 1.7366 2.0258 2.0258 2.0258 2.0258 2.5062 2.5062 2.5062 2.5062 3.8684 3.8684 3.8684 3.8684 10.2873 10.2873 10.2873 10.2873 11.4242 11.4242 11.4242 11.4242 k = 0.5000 0.5000 0.2684 ( 3612 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3034 -15.3034 -15.3034 -15.3034 -14.9546 -14.9546 -14.9546 -14.9546 -14.8035 -14.8035 -14.8035 -14.8035 -8.9256 -8.9256 -8.9256 -8.9256 1.7398 1.7398 1.7398 1.7398 2.0210 2.0210 2.0210 2.0210 2.5048 2.5048 2.5048 2.5048 3.8710 3.8710 3.8710 3.8710 10.3056 10.3056 10.3056 10.3056 11.4180 11.4180 11.4180 11.4180 k = 0.5000 0.5000 0.2806 ( 3600 PWs) bands (ev): -33.9172 -33.9172 -33.9172 -33.9172 -15.3033 -15.3033 -15.3033 -15.3033 -14.9545 -14.9545 -14.9545 -14.9545 -14.8035 -14.8035 -14.8035 -14.8035 -8.9255 -8.9255 -8.9255 -8.9255 1.7409 1.7409 1.7409 1.7409 2.0194 2.0194 2.0194 2.0194 2.5044 2.5044 2.5044 2.5044 3.8718 3.8718 3.8718 3.8718 10.3118 10.3118 10.3118 10.3118 11.4159 11.4159 11.4159 11.4159 Writing output data file CaHCl.save init_run : 0.22s CPU 0.45s WALL ( 1 calls) electrons : 210.96s CPU 216.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 210.95s CPU 216.27s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 358 calls) cegterg : 202.30s CPU 205.58s WALL ( 998 calls) Called by sum_band: Called by *egterg: h_psi : 79.63s CPU 81.45s WALL ( 18697 calls) s_psi : 7.52s CPU 7.56s WALL ( 18697 calls) g_psi : 0.30s CPU 0.32s WALL ( 17341 calls) cdiaghg : 98.38s CPU 100.26s WALL ( 17699 calls) cegterg:over : 7.42s CPU 7.57s WALL ( 17341 calls) cegterg:upda : 7.08s CPU 6.83s WALL ( 17341 calls) cegterg:last : 3.24s CPU 3.24s WALL ( 2229 calls) cdiaghg:chol : 5.18s CPU 5.35s WALL ( 17699 calls) cdiaghg:inve : 3.30s CPU 3.31s WALL ( 17699 calls) cdiaghg:para : 5.53s CPU 5.65s WALL ( 35398 calls) Called by h_psi: h_psi:vloc : 63.36s CPU 64.72s WALL ( 18697 calls) h_psi:vnl : 16.07s CPU 16.47s WALL ( 18697 calls) add_vuspsi : 8.52s CPU 8.80s WALL ( 18697 calls) General routines calbec : 7.50s CPU 7.62s WALL ( 18697 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.19s CPU 60.40s WALL ( 1197328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.18s WALL ( 716 calls) Parallel routines fft_scatter : 30.42s CPU 30.88s WALL ( 1197351 calls) PWSCF : 3m45.28s CPU 4m15.68s WALL This run was terminated on: 16:39: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=