Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:15:30 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: ./CsAgBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 71 71 19 5242 5242 763 Max 72 72 20 5252 5252 768 Sum 2585 2585 717 188813 188813 27549 bravais-lattice index = 14 lattice parameter (alat) = 10.0603 a.u. unit-cell volume = 1953.1124 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.060334 celldm(2)= 1.000000 celldm(3)= 1.918183 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 1.918183 ) 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 0.521327 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ag 11.00 107.86820 Ag( 1.00) Cs 9.00 132.90550 Cs( 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= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0038314 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0038314 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0038314 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0038314 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0038314 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0038314 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0038314 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0038314 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0038314 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0038314 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0038314 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0038314 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0038314 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0038314 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038314 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0038314 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0038314 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0038314 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0038314 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0038314 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0038314 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0038314 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0038314 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0038314 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0038314 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0038314 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0038314 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0038314 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0038314 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0038314 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0038314 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0038314 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0038314 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0038314 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0038314 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0038314 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0038314 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0038314 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0038314 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0038314 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0038314 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0038314 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0038314 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038314 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0038314 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0038314 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0038314 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0038314 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038314 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0038314 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0038314 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0038314 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0038314 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0038314 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0038314 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0038314 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0038314 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0038314 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0038314 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0038314 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0038314 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0038314 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0038314 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0038314 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038314 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0038314 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0038314 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0038314 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0038314 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0038314 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0038314 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038314 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0038314 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0038314 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0038314 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0038314 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0038314 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0038314 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038314 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0038314 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0038314 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0038314 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0038314 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0038314 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0038314 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038314 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0038314 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0038314 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0038314 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0038314 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0038314 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0038314 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038314 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0038314 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0038314 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0038314 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0038314 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0038314 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0038314 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0162915), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0325829), wk = 0.0038314 k( 109) = ( 0.0000000 0.0000000 0.0488744), wk = 0.0038314 k( 110) = ( 0.0000000 0.0000000 0.0651658), wk = 0.0038314 k( 111) = ( 0.0000000 0.0000000 0.0814573), wk = 0.0038314 k( 112) = ( 0.0000000 0.0000000 0.0977488), wk = 0.0038314 k( 113) = ( 0.0000000 0.0000000 0.1140402), wk = 0.0038314 k( 114) = ( 0.0000000 0.0000000 0.1303317), wk = 0.0038314 k( 115) = ( 0.0000000 0.0000000 0.1466231), wk = 0.0038314 k( 116) = ( 0.0000000 0.0000000 0.1629146), wk = 0.0038314 k( 117) = ( 0.0000000 0.0000000 0.1792061), wk = 0.0038314 k( 118) = ( 0.0000000 0.0000000 0.1954975), wk = 0.0038314 k( 119) = ( 0.0000000 0.0000000 0.2117890), wk = 0.0038314 k( 120) = ( 0.0000000 0.0000000 0.2280804), wk = 0.0038314 k( 121) = ( 0.0000000 0.0000000 0.2443719), wk = 0.0038314 k( 122) = ( 0.0000000 0.0000000 0.2606634), wk = 0.0038314 k( 123) = ( 0.0000000 0.0000000 0.2606634), wk = 0.0038314 k( 124) = ( 0.0000000 0.0166667 0.2606634), wk = 0.0038314 k( 125) = ( 0.0000000 0.0333333 0.2606634), wk = 0.0038314 k( 126) = ( 0.0000000 0.0500000 0.2606634), wk = 0.0038314 k( 127) = ( 0.0000000 0.0666667 0.2606634), wk = 0.0038314 k( 128) = ( 0.0000000 0.0833333 0.2606634), wk = 0.0038314 k( 129) = ( 0.0000000 0.1000000 0.2606634), wk = 0.0038314 k( 130) = ( 0.0000000 0.1166667 0.2606634), wk = 0.0038314 k( 131) = ( 0.0000000 0.1333333 0.2606634), wk = 0.0038314 k( 132) = ( 0.0000000 0.1500000 0.2606634), wk = 0.0038314 k( 133) = ( 0.0000000 0.1666667 0.2606634), wk = 0.0038314 k( 134) = ( 0.0000000 0.1833333 0.2606634), wk = 0.0038314 k( 135) = ( 0.0000000 0.2000000 0.2606634), wk = 0.0038314 k( 136) = ( 0.0000000 0.2166667 0.2606634), wk = 0.0038314 k( 137) = ( 0.0000000 0.2333333 0.2606634), wk = 0.0038314 k( 138) = ( 0.0000000 0.2500000 0.2606634), wk = 0.0038314 k( 139) = ( 0.0000000 0.2666667 0.2606634), wk = 0.0038314 k( 140) = ( 0.0000000 0.2833333 0.2606634), wk = 0.0038314 k( 141) = ( 0.0000000 0.3000000 0.2606634), wk = 0.0038314 k( 142) = ( 0.0000000 0.3166667 0.2606634), wk = 0.0038314 k( 143) = ( 0.0000000 0.3333333 0.2606634), wk = 0.0038314 k( 144) = ( 0.0000000 0.3500000 0.2606634), wk = 0.0038314 k( 145) = ( 0.0000000 0.3666667 0.2606634), wk = 0.0038314 k( 146) = ( 0.0000000 0.3833333 0.2606634), wk = 0.0038314 k( 147) = ( 0.0000000 0.4000000 0.2606634), wk = 0.0038314 k( 148) = ( 0.0000000 0.4166667 0.2606634), wk = 0.0038314 k( 149) = ( 0.0000000 0.4333333 0.2606634), wk = 0.0038314 k( 150) = ( 0.0000000 0.4500000 0.2606634), wk = 0.0038314 k( 151) = ( 0.0000000 0.4666667 0.2606634), wk = 0.0038314 k( 152) = ( 0.0000000 0.4833333 0.2606634), wk = 0.0038314 k( 153) = ( 0.0000000 0.5000000 0.2606634), wk = 0.0038314 k( 154) = ( 0.0000000 0.5000000 0.2606634), wk = 0.0038314 k( 155) = ( 0.0166667 0.5000000 0.2606634), wk = 0.0038314 k( 156) = ( 0.0333333 0.5000000 0.2606634), wk = 0.0038314 k( 157) = ( 0.0500000 0.5000000 0.2606634), wk = 0.0038314 k( 158) = ( 0.0666667 0.5000000 0.2606634), wk = 0.0038314 k( 159) = ( 0.0833333 0.5000000 0.2606634), wk = 0.0038314 k( 160) = ( 0.1000000 0.5000000 0.2606634), wk = 0.0038314 k( 161) = ( 0.1166667 0.5000000 0.2606634), wk = 0.0038314 k( 162) = ( 0.1333333 0.5000000 0.2606634), wk = 0.0038314 k( 163) = ( 0.1500000 0.5000000 0.2606634), wk = 0.0038314 k( 164) = ( 0.1666667 0.5000000 0.2606634), wk = 0.0038314 k( 165) = ( 0.1833333 0.5000000 0.2606634), wk = 0.0038314 k( 166) = ( 0.2000000 0.5000000 0.2606634), wk = 0.0038314 k( 167) = ( 0.2166667 0.5000000 0.2606634), wk = 0.0038314 k( 168) = ( 0.2333333 0.5000000 0.2606634), wk = 0.0038314 k( 169) = ( 0.2500000 0.5000000 0.2606634), wk = 0.0038314 k( 170) = ( 0.2666667 0.5000000 0.2606634), wk = 0.0038314 k( 171) = ( 0.2833333 0.5000000 0.2606634), wk = 0.0038314 k( 172) = ( 0.3000000 0.5000000 0.2606634), wk = 0.0038314 k( 173) = ( 0.3166667 0.5000000 0.2606634), wk = 0.0038314 k( 174) = ( 0.3333333 0.5000000 0.2606634), wk = 0.0038314 k( 175) = ( 0.3500000 0.5000000 0.2606634), wk = 0.0038314 k( 176) = ( 0.3666667 0.5000000 0.2606634), wk = 0.0038314 k( 177) = ( 0.3833333 0.5000000 0.2606634), wk = 0.0038314 k( 178) = ( 0.4000000 0.5000000 0.2606634), wk = 0.0038314 k( 179) = ( 0.4166667 0.5000000 0.2606634), wk = 0.0038314 k( 180) = ( 0.4333333 0.5000000 0.2606634), wk = 0.0038314 k( 181) = ( 0.4500000 0.5000000 0.2606634), wk = 0.0038314 k( 182) = ( 0.4666667 0.5000000 0.2606634), wk = 0.0038314 k( 183) = ( 0.4833333 0.5000000 0.2606634), wk = 0.0038314 k( 184) = ( 0.5000000 0.5000000 0.2606634), wk = 0.0038314 k( 185) = ( 0.5000000 0.5000000 0.2606634), wk = 0.0038314 k( 186) = ( 0.4880952 0.4880952 0.2606634), wk = 0.0038314 k( 187) = ( 0.4761905 0.4761905 0.2606634), wk = 0.0038314 k( 188) = ( 0.4642857 0.4642857 0.2606634), wk = 0.0038314 k( 189) = ( 0.4523810 0.4523809 0.2606634), wk = 0.0038314 k( 190) = ( 0.4404762 0.4404762 0.2606634), wk = 0.0038314 k( 191) = ( 0.4285714 0.4285714 0.2606634), wk = 0.0038314 k( 192) = ( 0.4166667 0.4166667 0.2606634), wk = 0.0038314 k( 193) = ( 0.4047619 0.4047619 0.2606634), wk = 0.0038314 k( 194) = ( 0.3928571 0.3928571 0.2606634), wk = 0.0038314 k( 195) = ( 0.3809524 0.3809524 0.2606634), wk = 0.0038314 k( 196) = ( 0.3690476 0.3690476 0.2606634), wk = 0.0038314 k( 197) = ( 0.3571429 0.3571429 0.2606634), wk = 0.0038314 k( 198) = ( 0.3452381 0.3452381 0.2606634), wk = 0.0038314 k( 199) = ( 0.3333333 0.3333333 0.2606634), wk = 0.0038314 k( 200) = ( 0.3214286 0.3214286 0.2606634), wk = 0.0038314 k( 201) = ( 0.3095238 0.3095238 0.2606634), wk = 0.0038314 k( 202) = ( 0.2976190 0.2976190 0.2606634), wk = 0.0038314 k( 203) = ( 0.2857143 0.2857143 0.2606634), wk = 0.0038314 k( 204) = ( 0.2738095 0.2738095 0.2606634), wk = 0.0038314 k( 205) = ( 0.2619048 0.2619048 0.2606634), wk = 0.0038314 k( 206) = ( 0.2500000 0.2500000 0.2606634), wk = 0.0038314 k( 207) = ( 0.2380952 0.2380952 0.2606634), wk = 0.0038314 k( 208) = ( 0.2261905 0.2261905 0.2606634), wk = 0.0038314 k( 209) = ( 0.2142857 0.2142857 0.2606634), wk = 0.0038314 k( 210) = ( 0.2023810 0.2023809 0.2606634), wk = 0.0038314 k( 211) = ( 0.1904762 0.1904762 0.2606634), wk = 0.0038314 k( 212) = ( 0.1785714 0.1785714 0.2606634), wk = 0.0038314 k( 213) = ( 0.1666667 0.1666667 0.2606634), wk = 0.0038314 k( 214) = ( 0.1547619 0.1547619 0.2606634), wk = 0.0038314 k( 215) = ( 0.1428571 0.1428571 0.2606634), wk = 0.0038314 k( 216) = ( 0.1309524 0.1309524 0.2606634), wk = 0.0038314 k( 217) = ( 0.1190476 0.1190476 0.2606634), wk = 0.0038314 k( 218) = ( 0.1071429 0.1071429 0.2606634), wk = 0.0038314 k( 219) = ( 0.0952381 0.0952381 0.2606634), wk = 0.0038314 k( 220) = ( 0.0833333 0.0833333 0.2606634), wk = 0.0038314 k( 221) = ( 0.0714286 0.0714286 0.2606634), wk = 0.0038314 k( 222) = ( 0.0595238 0.0595238 0.2606634), wk = 0.0038314 k( 223) = ( 0.0476191 0.0476190 0.2606634), wk = 0.0038314 k( 224) = ( 0.0357143 0.0357143 0.2606634), wk = 0.0038314 k( 225) = ( 0.0238095 0.0238095 0.2606634), wk = 0.0038314 k( 226) = ( 0.0119048 0.0119048 0.2606634), wk = 0.0038314 k( 227) = ( 0.0000000 0.0000000 0.2606634), wk = 0.0038314 k( 228) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 229) = ( 0.0000000 0.5000000 0.0162915), wk = 0.0038314 k( 230) = ( 0.0000000 0.5000000 0.0325829), wk = 0.0038314 k( 231) = ( 0.0000000 0.5000000 0.0488744), wk = 0.0038314 k( 232) = ( 0.0000000 0.5000000 0.0651658), wk = 0.0038314 k( 233) = ( 0.0000000 0.5000000 0.0814573), wk = 0.0038314 k( 234) = ( 0.0000000 0.5000000 0.0977488), wk = 0.0038314 k( 235) = ( 0.0000000 0.5000000 0.1140402), wk = 0.0038314 k( 236) = ( 0.0000000 0.5000000 0.1303317), wk = 0.0038314 k( 237) = ( 0.0000000 0.5000000 0.1466231), wk = 0.0038314 k( 238) = ( 0.0000000 0.5000000 0.1629146), wk = 0.0038314 k( 239) = ( 0.0000000 0.5000000 0.1792061), wk = 0.0038314 k( 240) = ( 0.0000000 0.5000000 0.1954975), wk = 0.0038314 k( 241) = ( 0.0000000 0.5000000 0.2117890), wk = 0.0038314 k( 242) = ( 0.0000000 0.5000000 0.2280804), wk = 0.0038314 k( 243) = ( 0.0000000 0.5000000 0.2443719), wk = 0.0038314 k( 244) = ( 0.0000000 0.5000000 0.2606634), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 0.0162915), wk = 0.0038314 k( 247) = ( 0.5000000 0.5000000 0.0325829), wk = 0.0038314 k( 248) = ( 0.5000000 0.5000000 0.0488744), wk = 0.0038314 k( 249) = ( 0.5000000 0.5000000 0.0651658), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.0814573), wk = 0.0038314 k( 251) = ( 0.5000000 0.5000000 0.0977488), wk = 0.0038314 k( 252) = ( 0.5000000 0.5000000 0.1140402), wk = 0.0038314 k( 253) = ( 0.5000000 0.5000000 0.1303317), wk = 0.0038314 k( 254) = ( 0.5000000 0.5000000 0.1466231), wk = 0.0038314 k( 255) = ( 0.5000000 0.5000000 0.1629146), wk = 0.0038314 k( 256) = ( 0.5000000 0.5000000 0.1792061), wk = 0.0038314 k( 257) = ( 0.5000000 0.5000000 0.1954975), wk = 0.0038314 k( 258) = ( 0.5000000 0.5000000 0.2117890), wk = 0.0038314 k( 259) = ( 0.5000000 0.5000000 0.2280804), wk = 0.0038314 k( 260) = ( 0.5000000 0.5000000 0.2443719), wk = 0.0038314 k( 261) = ( 0.5000000 0.5000000 0.2606634), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0038314 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0038314 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0038314 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0038314 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0038314 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0038314 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0038314 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0038314 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0038314 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0038314 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0038314 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0038314 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0038314 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0038314 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038314 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0038314 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0038314 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0038314 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0038314 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0038314 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0038314 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0038314 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0038314 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0038314 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0038314 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0038314 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0038314 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0038314 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0038314 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0038314 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0038314 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0038314 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0038314 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0038314 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0038314 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0038314 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0038314 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0038314 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0038314 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0038314 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0038314 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0038314 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0038314 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038314 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0038314 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0038314 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0038314 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0038314 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038314 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0038314 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0038314 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0038314 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0038314 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0038314 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0038314 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0038314 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0038314 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0038314 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0038314 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0038314 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0038314 k( 67) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0038314 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0038314 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0038314 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0038314 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0038314 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0038314 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0038314 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0038314 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0038314 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0038314 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038314 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0038314 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0038314 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0038314 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0038314 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0038314 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0038314 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038314 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0038314 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0038314 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0038314 k( 88) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0038314 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0038314 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0038314 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038314 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0038314 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0038314 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0038314 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0038314 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0038314 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0038314 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038314 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0038314 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0038314 k( 101) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0038314 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0038314 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0038314 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0038314 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0038314 k( 109) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0038314 k( 110) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038314 k( 111) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0038314 k( 112) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0038314 k( 113) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0038314 k( 114) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038314 k( 115) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0038314 k( 116) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0038314 k( 117) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0038314 k( 118) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038314 k( 119) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0038314 k( 120) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0038314 k( 121) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0038314 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 124) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0038314 k( 125) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0038314 k( 126) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0038314 k( 127) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0038314 k( 128) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0038314 k( 129) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0038314 k( 130) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0038314 k( 131) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0038314 k( 132) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0038314 k( 133) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0038314 k( 134) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0038314 k( 135) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0038314 k( 136) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0038314 k( 137) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0038314 k( 138) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0038314 k( 139) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0038314 k( 140) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0038314 k( 141) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0038314 k( 142) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0038314 k( 143) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0038314 k( 144) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0038314 k( 145) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0038314 k( 146) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0038314 k( 147) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0038314 k( 148) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0038314 k( 149) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0038314 k( 150) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0038314 k( 151) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0038314 k( 152) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0038314 k( 153) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 154) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 155) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0038314 k( 156) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0038314 k( 157) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0038314 k( 158) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0038314 k( 159) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0038314 k( 160) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0038314 k( 161) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0038314 k( 162) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0038314 k( 163) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0038314 k( 164) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0038314 k( 165) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0038314 k( 166) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0038314 k( 167) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0038314 k( 168) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0038314 k( 169) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038314 k( 170) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0038314 k( 171) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0038314 k( 172) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0038314 k( 173) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0038314 k( 174) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0038314 k( 175) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0038314 k( 176) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0038314 k( 177) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0038314 k( 178) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0038314 k( 179) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0038314 k( 180) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0038314 k( 181) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0038314 k( 182) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0038314 k( 183) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0038314 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 186) = ( 0.4880952 0.4880952 0.5000000), wk = 0.0038314 k( 187) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0038314 k( 188) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0038314 k( 189) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0038314 k( 190) = ( 0.4404762 0.4404762 0.5000000), wk = 0.0038314 k( 191) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0038314 k( 192) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0038314 k( 193) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0038314 k( 194) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0038314 k( 195) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0038314 k( 196) = ( 0.3690476 0.3690476 0.5000000), wk = 0.0038314 k( 197) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0038314 k( 198) = ( 0.3452381 0.3452381 0.5000000), wk = 0.0038314 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038314 k( 200) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0038314 k( 201) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0038314 k( 202) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0038314 k( 203) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0038314 k( 204) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0038314 k( 205) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0038314 k( 206) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038314 k( 207) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0038314 k( 208) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0038314 k( 209) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0038314 k( 210) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0038314 k( 211) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0038314 k( 212) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0038314 k( 213) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038314 k( 214) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0038314 k( 215) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0038314 k( 216) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0038314 k( 217) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0038314 k( 218) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0038314 k( 219) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0038314 k( 220) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0038314 k( 221) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0038314 k( 222) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0038314 k( 223) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0038314 k( 224) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0038314 k( 225) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0038314 k( 226) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0038314 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 229) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0038314 k( 230) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0038314 k( 231) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0038314 k( 232) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0038314 k( 233) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0038314 k( 234) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0038314 k( 235) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0038314 k( 236) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0038314 k( 237) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0038314 k( 238) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0038314 k( 239) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0038314 k( 240) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0038314 k( 241) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0038314 k( 242) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0038314 k( 243) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0038314 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0038314 k( 247) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0038314 k( 248) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0038314 k( 249) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0038314 k( 251) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0038314 k( 252) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0038314 k( 253) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038314 k( 254) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0038314 k( 255) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0038314 k( 256) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0038314 k( 257) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0038314 k( 258) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0038314 k( 259) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0038314 k( 260) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0038314 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 Dense grid: 188813 G-vectors FFT dimensions: ( 60, 60, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.69 Mb ( 1350, 82) NL pseudopotentials 2.55 Mb ( 675, 248) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5244) G-vector shells 0.02 Mb ( 2553) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 6.76 Mb ( 1350, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.62 Mb ( 248, 2, 82) The potential is recalculated from file : ./CsAgBr2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 8.5 secs Computing kpt #: 3 total cpu time spent up to now is 11.6 secs Computing kpt #: 4 total cpu time spent up to now is 14.7 secs Computing kpt #: 5 total cpu time spent up to now is 17.8 secs Computing kpt #: 6 total cpu time spent up to now is 20.9 secs Computing kpt #: 7 total cpu time spent up to now is 24.0 secs Computing kpt #: 8 total cpu time spent up to now is 27.2 secs Computing kpt #: 9 total cpu time spent up to now is 30.4 secs Computing kpt #: 10 total cpu time spent up to now is 33.7 secs Computing kpt #: 11 total cpu time spent up to now is 36.9 secs Computing kpt #: 12 total cpu time spent up to now is 40.2 secs Computing kpt #: 13 total cpu time spent up to now is 43.5 secs Computing kpt #: 14 total cpu time spent up to now is 46.7 secs Computing kpt #: 15 total cpu time spent up to now is 50.0 secs Computing kpt #: 16 total cpu time spent up to now is 53.3 secs Computing kpt #: 17 total cpu time spent up to now is 56.6 secs Computing kpt #: 18 total cpu time spent up to now is 60.0 secs Computing kpt #: 19 total cpu time spent up to now is 63.3 secs Computing kpt #: 20 total cpu time spent up to now is 66.6 secs Computing kpt #: 21 total cpu time spent up to now is 69.9 secs Computing kpt #: 22 total cpu time spent up to now is 73.2 secs Computing kpt #: 23 total cpu time spent up to now is 76.6 secs Computing kpt #: 24 total cpu time spent up to now is 80.1 secs Computing kpt #: 25 total cpu time spent up to now is 83.6 secs Computing kpt #: 26 total cpu time spent up to now is 87.5 secs Computing kpt #: 27 total cpu time spent up to now is 91.4 secs Computing kpt #: 28 total cpu time spent up to now is 95.4 secs Computing kpt #: 29 total cpu time spent up to now is 99.5 secs Computing kpt #: 30 total cpu time spent up to now is 103.9 secs Computing kpt #: 31 total cpu time spent up to now is 107.4 secs Computing kpt #: 32 total cpu time spent up to now is 110.8 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.4 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.2 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.4 secs Computing kpt #: 37 total cpu time spent up to now is 142.8 secs Computing kpt #: 38 total cpu time spent up to now is 148.2 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.7 secs Computing kpt #: 40 total cpu time spent up to now is 158.5 secs Computing kpt #: 41 total cpu time spent up to now is 161.9 secs Computing kpt #: 42 total cpu time spent up to now is 165.4 secs Computing kpt #: 43 total cpu time spent up to now is 168.7 secs Computing kpt #: 44 total cpu time spent up to now is 171.8 secs Computing kpt #: 45 total cpu time spent up to now is 175.1 secs Computing kpt #: 46 total cpu time spent up to now is 178.4 secs Computing kpt #: 47 total cpu time spent up to now is 181.6 secs Computing kpt #: 48 total cpu time spent up to now is 184.9 secs Computing kpt #: 49 total cpu time spent up to now is 188.3 secs Computing kpt #: 50 total cpu time spent up to now is 191.6 secs Computing kpt #: 51 total cpu time spent up to now is 195.0 secs Computing kpt #: 52 total cpu time spent up to now is 198.4 secs Computing kpt #: 53 total cpu time spent up to now is 202.4 secs Computing kpt #: 54 total cpu time spent up to now is 205.7 secs Computing kpt #: 55 total cpu time spent up to now is 209.1 secs Computing kpt #: 56 total cpu time spent up to now is 212.5 secs Computing kpt #: 57 total cpu time spent up to now is 215.9 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.6 secs Computing kpt #: 59 total cpu time spent up to now is 226.1 secs Computing kpt #: 60 total cpu time spent up to now is 229.6 secs Computing kpt #: 61 total cpu time spent up to now is 233.2 secs Computing kpt #: 62 total cpu time spent up to now is 236.6 secs Computing kpt #: 63 total cpu time spent up to now is 240.0 secs Computing kpt #: 64 total cpu time spent up to now is 243.5 secs Computing kpt #: 65 total cpu time spent up to now is 247.0 secs Computing kpt #: 66 total cpu time spent up to now is 250.4 secs Computing kpt #: 67 total cpu time spent up to now is 253.9 secs Computing kpt #: 68 total cpu time spent up to now is 257.4 secs Computing kpt #: 69 total cpu time spent up to now is 260.9 secs Computing kpt #: 70 total cpu time spent up to now is 264.4 secs Computing kpt #: 71 total cpu time spent up to now is 267.8 secs Computing kpt #: 72 total cpu time spent up to now is 271.0 secs Computing kpt #: 73 total cpu time spent up to now is 274.1 secs Computing kpt #: 74 total cpu time spent up to now is 277.2 secs Computing kpt #: 75 total cpu time spent up to now is 280.3 secs Computing kpt #: 76 total cpu time spent up to now is 283.6 secs Computing kpt #: 77 total cpu time spent up to now is 287.5 secs Computing kpt #: 78 total cpu time spent up to now is 290.8 secs Computing kpt #: 79 total cpu time spent up to now is 294.1 secs Computing kpt #: 80 total cpu time spent up to now is 297.4 secs Computing kpt #: 81 total cpu time spent up to now is 300.6 secs Computing kpt #: 82 total cpu time spent up to now is 303.8 secs Computing kpt #: 83 total cpu time spent up to now is 307.1 secs Computing kpt #: 84 total cpu time spent up to now is 310.2 secs Computing kpt #: 85 total cpu time spent up to now is 313.3 secs Computing kpt #: 86 total cpu time spent up to now is 316.0 secs Computing kpt #: 87 total cpu time spent up to now is 319.1 secs Computing kpt #: 88 total cpu time spent up to now is 322.3 secs Computing kpt #: 89 total cpu time spent up to now is 325.6 secs Computing kpt #: 90 total cpu time spent up to now is 328.9 secs Computing kpt #: 91 total cpu time spent up to now is 332.1 secs Computing kpt #: 92 total cpu time spent up to now is 335.2 secs Computing kpt #: 93 total cpu time spent up to now is 338.4 secs Computing kpt #: 94 total cpu time spent up to now is 341.6 secs Computing kpt #: 95 total cpu time spent up to now is 344.7 secs Computing kpt #: 96 total cpu time spent up to now is 347.8 secs Computing kpt #: 97 total cpu time spent up to now is 350.9 secs Computing kpt #: 98 total cpu time spent up to now is 354.0 secs Computing kpt #: 99 total cpu time spent up to now is 357.1 secs Computing kpt #: 100 total cpu time spent up to now is 359.9 secs Computing kpt #: 101 total cpu time spent up to now is 362.9 secs Computing kpt #: 102 total cpu time spent up to now is 366.0 secs Computing kpt #: 103 total cpu time spent up to now is 368.7 secs Computing kpt #: 104 total cpu time spent up to now is 371.8 secs Computing kpt #: 105 total cpu time spent up to now is 374.9 secs Computing kpt #: 106 total cpu time spent up to now is 378.0 secs Computing kpt #: 107 total cpu time spent up to now is 381.1 secs Computing kpt #: 108 total cpu time spent up to now is 384.2 secs Computing kpt #: 109 total cpu time spent up to now is 387.3 secs Computing kpt #: 110 total cpu time spent up to now is 390.4 secs Computing kpt #: 111 total cpu time spent up to now is 393.6 secs Computing kpt #: 112 total cpu time spent up to now is 396.7 secs Computing kpt #: 113 total cpu time spent up to now is 399.8 secs Computing kpt #: 114 total cpu time spent up to now is 402.9 secs Computing kpt #: 115 total cpu time spent up to now is 406.0 secs Computing kpt #: 116 total cpu time spent up to now is 409.1 secs Computing kpt #: 117 total cpu time spent up to now is 412.2 secs Computing kpt #: 118 total cpu time spent up to now is 415.3 secs Computing kpt #: 119 total cpu time spent up to now is 418.4 secs Computing kpt #: 120 total cpu time spent up to now is 421.5 secs Computing kpt #: 121 total cpu time spent up to now is 424.6 secs Computing kpt #: 122 total cpu time spent up to now is 427.8 secs Computing kpt #: 123 total cpu time spent up to now is 430.9 secs Computing kpt #: 124 total cpu time spent up to now is 434.0 secs Computing kpt #: 125 total cpu time spent up to now is 437.1 secs Computing kpt #: 126 total cpu time spent up to now is 440.2 secs Computing kpt #: 127 total cpu time spent up to now is 442.9 secs Computing kpt #: 128 total cpu time spent up to now is 446.0 secs Computing kpt #: 129 total cpu time spent up to now is 449.1 secs Computing kpt #: 130 total cpu time spent up to now is 452.2 secs Computing kpt #: 131 total cpu time spent up to now is 455.3 secs Computing kpt #: 132 total cpu time spent up to now is 458.5 secs Computing kpt #: 133 total cpu time spent up to now is 461.6 secs Computing kpt #: 134 total cpu time spent up to now is 464.8 secs Computing kpt #: 135 total cpu time spent up to now is 467.9 secs Computing kpt #: 136 total cpu time spent up to now is 471.0 secs Computing kpt #: 137 total cpu time spent up to now is 474.2 secs Computing kpt #: 138 total cpu time spent up to now is 477.4 secs Computing kpt #: 139 total cpu time spent up to now is 480.6 secs Computing kpt #: 140 total cpu time spent up to now is 483.8 secs Computing kpt #: 141 total cpu time spent up to now is 487.1 secs Computing kpt #: 142 total cpu time spent up to now is 490.3 secs Computing kpt #: 143 total cpu time spent up to now is 493.6 secs Computing kpt #: 144 total cpu time spent up to now is 496.9 secs Computing kpt #: 145 total cpu time spent up to now is 500.2 secs Computing kpt #: 146 total cpu time spent up to now is 503.6 secs Computing kpt #: 147 total cpu time spent up to now is 506.9 secs Computing kpt #: 148 total cpu time spent up to now is 510.2 secs Computing kpt #: 149 total cpu time spent up to now is 513.5 secs Computing kpt #: 150 total cpu time spent up to now is 517.0 secs Computing kpt #: 151 total cpu time spent up to now is 520.4 secs Computing kpt #: 152 total cpu time spent up to now is 524.3 secs Computing kpt #: 153 total cpu time spent up to now is 527.4 secs Computing kpt #: 154 total cpu time spent up to now is 530.7 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 537.5 secs Computing kpt #: 156 total cpu time spent up to now is 541.5 secs Computing kpt #: 157 total cpu time spent up to now is 545.3 secs Computing kpt #: 158 total cpu time spent up to now is 549.2 secs Computing kpt #: 159 total cpu time spent up to now is 553.0 secs Computing kpt #: 160 total cpu time spent up to now is 556.1 secs Computing kpt #: 161 total cpu time spent up to now is 559.2 secs Computing kpt #: 162 total cpu time spent up to now is 562.4 secs Computing kpt #: 163 total cpu time spent up to now is 565.7 secs Computing kpt #: 164 total cpu time spent up to now is 568.8 secs Computing kpt #: 165 total cpu time spent up to now is 572.0 secs Computing kpt #: 166 total cpu time spent up to now is 575.2 secs Computing kpt #: 167 total cpu time spent up to now is 578.3 secs Computing kpt #: 168 total cpu time spent up to now is 581.5 secs Computing kpt #: 169 total cpu time spent up to now is 584.7 secs Computing kpt #: 170 total cpu time spent up to now is 588.3 secs Computing kpt #: 171 total cpu time spent up to now is 591.5 secs Computing kpt #: 172 total cpu time spent up to now is 594.6 secs Computing kpt #: 173 total cpu time spent up to now is 597.8 secs Computing kpt #: 174 total cpu time spent up to now is 601.6 secs Computing kpt #: 175 total cpu time spent up to now is 604.9 secs Computing kpt #: 176 total cpu time spent up to now is 608.8 secs Computing kpt #: 177 total cpu time spent up to now is 612.0 secs Computing kpt #: 178 total cpu time spent up to now is 615.4 secs Computing kpt #: 179 total cpu time spent up to now is 619.3 secs Computing kpt #: 180 total cpu time spent up to now is 623.2 secs Computing kpt #: 181 total cpu time spent up to now is 627.2 secs Computing kpt #: 182 total cpu time spent up to now is 633.7 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.5 secs Computing kpt #: 184 total cpu time spent up to now is 644.5 secs Computing kpt #: 185 total cpu time spent up to now is 649.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 662.7 secs Computing kpt #: 188 total cpu time spent up to now is 666.8 secs Computing kpt #: 189 total cpu time spent up to now is 670.7 secs Computing kpt #: 190 total cpu time spent up to now is 674.0 secs Computing kpt #: 191 total cpu time spent up to now is 677.4 secs Computing kpt #: 192 total cpu time spent up to now is 680.7 secs Computing kpt #: 193 total cpu time spent up to now is 684.0 secs Computing kpt #: 194 total cpu time spent up to now is 687.2 secs Computing kpt #: 195 total cpu time spent up to now is 690.3 secs Computing kpt #: 196 total cpu time spent up to now is 693.5 secs Computing kpt #: 197 total cpu time spent up to now is 696.8 secs Computing kpt #: 198 total cpu time spent up to now is 700.1 secs Computing kpt #: 199 total cpu time spent up to now is 703.4 secs Computing kpt #: 200 total cpu time spent up to now is 706.7 secs Computing kpt #: 201 total cpu time spent up to now is 710.0 secs Computing kpt #: 202 total cpu time spent up to now is 713.3 secs Computing kpt #: 203 total cpu time spent up to now is 716.3 secs Computing kpt #: 204 total cpu time spent up to now is 719.0 secs Computing kpt #: 205 total cpu time spent up to now is 721.7 secs Computing kpt #: 206 total cpu time spent up to now is 724.7 secs Computing kpt #: 207 total cpu time spent up to now is 727.8 secs Computing kpt #: 208 total cpu time spent up to now is 730.9 secs Computing kpt #: 209 total cpu time spent up to now is 733.9 secs Computing kpt #: 210 total cpu time spent up to now is 737.0 secs Computing kpt #: 211 total cpu time spent up to now is 740.1 secs Computing kpt #: 212 total cpu time spent up to now is 743.2 secs Computing kpt #: 213 total cpu time spent up to now is 746.3 secs Computing kpt #: 214 total cpu time spent up to now is 749.4 secs Computing kpt #: 215 total cpu time spent up to now is 752.5 secs Computing kpt #: 216 total cpu time spent up to now is 755.6 secs Computing kpt #: 217 total cpu time spent up to now is 758.7 secs Computing kpt #: 218 total cpu time spent up to now is 761.8 secs Computing kpt #: 219 total cpu time spent up to now is 764.5 secs Computing kpt #: 220 total cpu time spent up to now is 767.6 secs Computing kpt #: 221 total cpu time spent up to now is 770.4 secs Computing kpt #: 222 total cpu time spent up to now is 773.1 secs Computing kpt #: 223 total cpu time spent up to now is 775.8 secs Computing kpt #: 224 total cpu time spent up to now is 778.9 secs Computing kpt #: 225 total cpu time spent up to now is 782.0 secs Computing kpt #: 226 total cpu time spent up to now is 785.1 secs Computing kpt #: 227 total cpu time spent up to now is 788.2 secs Computing kpt #: 228 total cpu time spent up to now is 791.7 secs Computing kpt #: 229 total cpu time spent up to now is 795.1 secs Computing kpt #: 230 total cpu time spent up to now is 798.5 secs Computing kpt #: 231 total cpu time spent up to now is 801.9 secs Computing kpt #: 232 total cpu time spent up to now is 805.2 secs Computing kpt #: 233 total cpu time spent up to now is 808.4 secs Computing kpt #: 234 total cpu time spent up to now is 811.7 secs Computing kpt #: 235 total cpu time spent up to now is 815.0 secs Computing kpt #: 236 total cpu time spent up to now is 818.3 secs Computing kpt #: 237 total cpu time spent up to now is 821.6 secs Computing kpt #: 238 total cpu time spent up to now is 824.8 secs Computing kpt #: 239 total cpu time spent up to now is 828.1 secs Computing kpt #: 240 total cpu time spent up to now is 831.3 secs Computing kpt #: 241 total cpu time spent up to now is 834.5 secs Computing kpt #: 242 total cpu time spent up to now is 837.8 secs Computing kpt #: 243 total cpu time spent up to now is 841.0 secs Computing kpt #: 244 total cpu time spent up to now is 844.2 secs Computing kpt #: 245 total cpu time spent up to now is 847.6 secs Computing kpt #: 246 total cpu time spent up to now is 851.2 secs Computing kpt #: 247 total cpu time spent up to now is 854.8 secs Computing kpt #: 248 total cpu time spent up to now is 858.8 secs Computing kpt #: 249 total cpu time spent up to now is 862.1 secs Computing kpt #: 250 total cpu time spent up to now is 865.4 secs Computing kpt #: 251 total cpu time spent up to now is 868.7 secs Computing kpt #: 252 total cpu time spent up to now is 871.9 secs Computing kpt #: 253 total cpu time spent up to now is 875.2 secs Computing kpt #: 254 total cpu time spent up to now is 878.5 secs Computing kpt #: 255 total cpu time spent up to now is 882.5 secs Computing kpt #: 256 total cpu time spent up to now is 886.8 secs Computing kpt #: 257 total cpu time spent up to now is 891.6 secs Computing kpt #: 258 total cpu time spent up to now is 896.4 secs Computing kpt #: 259 total cpu time spent up to now is 901.2 secs Computing kpt #: 260 total cpu time spent up to now is 906.0 secs Computing kpt #: 261 total cpu time spent up to now is 910.2 secs ethr = 1.47E-08, avg # of iterations = 33.7 total cpu time spent up to now is 910.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 23567 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6593 -10.6593 -10.1811 -10.1811 -9.8418 -9.8418 -9.8136 -9.8136 -4.4040 -4.4040 -4.3889 -4.3889 -3.0083 -3.0083 -2.9806 -2.9806 -2.9603 -2.9603 -2.9133 -2.9133 -0.2735 -0.2735 -0.1902 -0.1902 0.2424 0.2424 0.3900 0.3900 0.5034 0.5034 0.5636 0.5636 0.7619 0.7619 0.8923 0.8923 1.2450 1.2450 1.3984 1.3984 1.5878 1.5878 1.8174 1.8174 1.8454 1.8454 2.0224 2.0224 2.3451 2.3451 2.3978 2.3978 2.5869 2.5869 2.8041 2.8041 2.8597 2.8597 3.0349 3.0349 3.1982 3.1982 3.4335 3.4335 5.6231 5.6231 6.2903 6.2903 7.7609 7.7609 7.9337 7.9337 8.8725 8.8725 8.9100 8.9100 9.2300 9.2300 k = 0.0000 0.0167-0.0000 ( 23569 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6589 -10.6589 -10.1814 -10.1814 -9.8419 -9.8419 -9.8137 -9.8137 -4.4040 -4.4040 -4.3889 -4.3889 -3.0083 -3.0083 -2.9806 -2.9806 -2.9602 -2.9602 -2.9133 -2.9133 -0.2735 -0.2735 -0.1902 -0.1902 0.2435 0.2435 0.3893 0.3893 0.5033 0.5033 0.5640 0.5640 0.7616 0.7616 0.8924 0.8924 1.2450 1.2450 1.3977 1.3977 1.5877 1.5877 1.8105 1.8105 1.8522 1.8522 2.0206 2.0206 2.3411 2.3411 2.3998 2.3998 2.5867 2.5867 2.8038 2.8038 2.8556 2.8556 3.0352 3.0352 3.1986 3.1986 3.4328 3.4328 5.6291 5.6291 6.2940 6.2940 7.7649 7.7649 7.9364 7.9364 8.8745 8.8745 8.9126 8.9126 9.2305 9.2305 k = 0.0000 0.0333-0.0000 ( 23565 PWs) bands (ev): -15.6369 -15.6369 -15.6281 -15.6281 -10.6579 -10.6579 -10.1822 -10.1822 -9.8419 -9.8419 -9.8139 -9.8139 -4.4040 -4.4040 -4.3888 -4.3888 -3.0084 -3.0084 -2.9806 -2.9806 -2.9601 -2.9601 -2.9134 -2.9134 -0.2735 -0.2735 -0.1904 -0.1904 0.2469 0.2469 0.3871 0.3871 0.5032 0.5032 0.5653 0.5653 0.7608 0.7608 0.8927 0.8927 1.2449 1.2449 1.3955 1.3955 1.5874 1.5874 1.7976 1.7976 1.8651 1.8651 2.0151 2.0151 2.3304 2.3304 2.4045 2.4045 2.5859 2.5859 2.8028 2.8028 2.8438 2.8438 3.0360 3.0360 3.1996 3.1996 3.4305 3.4305 5.6472 5.6472 6.3050 6.3050 7.7767 7.7767 7.9446 7.9446 8.8808 8.8808 8.9203 8.9203 9.2320 9.2320 k = 0.0000 0.0500-0.0000 ( 23581 PWs) bands (ev): -15.6368 -15.6368 -15.6281 -15.6281 -10.6561 -10.6561 -10.1836 -10.1836 -9.8420 -9.8420 -9.8141 -9.8141 -4.4040 -4.4040 -4.3888 -4.3888 -3.0085 -3.0085 -2.9805 -2.9805 -2.9598 -2.9598 -2.9134 -2.9134 -0.2736 -0.2736 -0.1906 -0.1906 0.2523 0.2523 0.3836 0.3836 0.5029 0.5029 0.5674 0.5674 0.7592 0.7592 0.8935 0.8935 1.2446 1.2446 1.3919 1.3919 1.5869 1.5869 1.7836 1.7836 1.8791 1.8791 2.0056 2.0056 2.3151 2.3151 2.4102 2.4102 2.5846 2.5846 2.8012 2.8012 2.8260 2.8260 3.0368 3.0368 3.2007 3.2007 3.4268 3.4268 5.6768 5.6768 6.3231 6.3231 7.7963 7.7963 7.9581 7.9581 8.8911 8.8911 8.9331 8.9331 9.2346 9.2346 k = 0.0000 0.0667-0.0000 ( 23591 PWs) bands (ev): -15.6366 -15.6366 -15.6280 -15.6280 -10.6536 -10.6536 -10.1856 -10.1856 -9.8420 -9.8420 -9.8145 -9.8145 -4.4040 -4.4040 -4.3887 -4.3887 -3.0086 -3.0086 -2.9804 -2.9804 -2.9594 -2.9594 -2.9135 -2.9135 -0.2738 -0.2738 -0.1904 -0.1904 0.2595 0.2595 0.3789 0.3789 0.5026 0.5026 0.5701 0.5701 0.7566 0.7566 0.8950 0.8950 1.2442 1.2442 1.3870 1.3870 1.5859 1.5859 1.7699 1.7699 1.8931 1.8931 1.9917 1.9917 2.2968 2.2968 2.4158 2.4158 2.5828 2.5828 2.7991 2.7991 2.8040 2.8040 3.0370 3.0370 3.2011 3.2011 3.4216 3.4216 5.7173 5.7173 6.3483 6.3483 7.8235 7.8235 7.9770 7.9770 8.9056 8.9056 8.9506 8.9506 9.2383 9.2383 k = 0.0000 0.0833-0.0000 ( 23601 PWs) bands (ev): -15.6364 -15.6364 -15.6279 -15.6279 -10.6504 -10.6504 -10.1881 -10.1881 -9.8421 -9.8421 -9.8150 -9.8150 -4.4040 -4.4040 -4.3886 -4.3886 -3.0088 -3.0088 -2.9803 -2.9803 -2.9590 -2.9590 -2.9136 -2.9136 -0.2741 -0.2741 -0.1896 -0.1896 0.2683 0.2683 0.3731 0.3731 0.5022 0.5022 0.5732 0.5732 0.7526 0.7526 0.8975 0.8975 1.2435 1.2435 1.3808 1.3808 1.5841 1.5841 1.7571 1.7571 1.9068 1.9068 1.9728 1.9728 2.2765 2.2765 2.4212 2.4212 2.5804 2.5804 2.7793 2.7793 2.7966 2.7966 3.0364 3.0364 3.2000 3.2000 3.4150 3.4150 5.7681 5.7681 6.3804 6.3804 7.8580 7.8580 8.0011 8.0011 8.9241 8.9241 8.9727 8.9727 9.2431 9.2431 k = 0.0000 0.1000-0.0000 ( 23601 PWs) bands (ev): -15.6362 -15.6362 -15.6278 -15.6278 -10.6465 -10.6465 -10.1911 -10.1911 -9.8422 -9.8422 -9.8155 -9.8155 -4.4040 -4.4040 -4.3886 -4.3886 -3.0090 -3.0090 -2.9802 -2.9802 -2.9584 -2.9584 -2.9137 -2.9137 -0.2746 -0.2746 -0.1879 -0.1879 0.2782 0.2782 0.3664 0.3664 0.5018 0.5018 0.5765 0.5765 0.7472 0.7472 0.9013 0.9013 1.2426 1.2426 1.3737 1.3737 1.5814 1.5814 1.7457 1.7457 1.9196 1.9196 1.9486 1.9486 2.2552 2.2552 2.4261 2.4261 2.5774 2.5774 2.7539 2.7539 2.7938 2.7938 3.0349 3.0349 3.1970 3.1970 3.4070 3.4070 5.8282 5.8282 6.4192 6.4192 7.8997 7.8997 8.0304 8.0304 8.9466 8.9466 8.9987 8.9987 9.2493 9.2493 k = 0.0000 0.1167-0.0000 ( 23601 PWs) bands (ev): -15.6359 -15.6359 -15.6276 -15.6276 -10.6419 -10.6419 -10.1948 -10.1948 -9.8424 -9.8424 -9.8162 -9.8162 -4.4039 -4.4039 -4.3885 -4.3885 -3.0093 -3.0093 -2.9801 -2.9801 -2.9578 -2.9578 -2.9138 -2.9138 -0.2752 -0.2752 -0.1850 -0.1850 0.2890 0.2890 0.3589 0.3589 0.5013 0.5013 0.5798 0.5798 0.7404 0.7404 0.9067 0.9067 1.2412 1.2412 1.3656 1.3656 1.5774 1.5774 1.7361 1.7361 1.9146 1.9146 1.9357 1.9357 2.2339 2.2339 2.4307 2.4307 2.5737 2.5737 2.7286 2.7286 2.7907 2.7907 3.0326 3.0326 3.1915 3.1915 3.3975 3.3975 5.8966 5.8966 6.4642 6.4642 7.9481 7.9481 8.0647 8.0647 8.9730 8.9730 9.0280 9.0280 9.2569 9.2569 k = 0.0000 0.1333-0.0000 ( 23571 PWs) bands (ev): -15.6355 -15.6355 -15.6275 -15.6275 -10.6367 -10.6367 -10.1989 -10.1989 -9.8425 -9.8425 -9.8170 -9.8170 -4.4039 -4.4039 -4.3884 -4.3884 -3.0096 -3.0096 -2.9799 -2.9799 -2.9571 -2.9571 -2.9140 -2.9140 -0.2756 -0.2756 -0.1810 -0.1810 0.3003 0.3003 0.3507 0.3507 0.5009 0.5009 0.5827 0.5827 0.7323 0.7323 0.9135 0.9135 1.2393 1.2393 1.3569 1.3569 1.5719 1.5719 1.7287 1.7287 1.8784 1.8784 1.9473 1.9473 2.2134 2.2134 2.4348 2.4348 2.5692 2.5692 2.7044 2.7044 2.7877 2.7877 3.0295 3.0295 3.1835 3.1835 3.3867 3.3867 5.9724 5.9724 6.5152 6.5152 8.0029 8.0029 8.1038 8.1038 9.0033 9.0033 9.0598 9.0598 9.2663 9.2663 k = 0.0000 0.1500-0.0000 ( 23565 PWs) bands (ev): -15.6352 -15.6352 -15.6273 -15.6273 -10.6308 -10.6308 -10.2036 -10.2036 -9.8427 -9.8427 -9.8178 -9.8178 -4.4038 -4.4038 -4.3883 -4.3883 -3.0099 -3.0099 -2.9798 -2.9798 -2.9563 -2.9563 -2.9141 -2.9141 -0.2758 -0.2758 -0.1757 -0.1757 0.3117 0.3117 0.3420 0.3420 0.5004 0.5004 0.5847 0.5847 0.7233 0.7233 0.9217 0.9217 1.2367 1.2367 1.3478 1.3478 1.5648 1.5648 1.7236 1.7236 1.8351 1.8351 1.9596 1.9596 2.1941 2.1941 2.4383 2.4383 2.5638 2.5638 2.6822 2.6822 2.7847 2.7847 3.0258 3.0258 3.1729 3.1729 3.3745 3.3745 6.0544 6.0544 6.5718 6.5718 8.0635 8.0635 8.1476 8.1476 9.0373 9.0373 9.0927 9.0927 9.2776 9.2776 k = 0.0000 0.1667-0.0000 ( 23567 PWs) bands (ev): -15.6348 -15.6348 -15.6271 -15.6271 -10.6242 -10.6242 -10.2089 -10.2089 -9.8428 -9.8428 -9.8187 -9.8187 -4.4037 -4.4037 -4.3883 -4.3883 -3.0102 -3.0102 -2.9797 -2.9797 -2.9554 -2.9554 -2.9142 -2.9142 -0.2754 -0.2754 -0.1690 -0.1690 0.3231 0.3231 0.3329 0.3329 0.4999 0.4999 0.5852 0.5852 0.7141 0.7141 0.9312 0.9312 1.2333 1.2333 1.3384 1.3384 1.5563 1.5563 1.7208 1.7208 1.7864 1.7864 1.9717 1.9717 2.1762 2.1762 2.4412 2.4412 2.5575 2.5575 2.6625 2.6625 2.7819 2.7819 3.0214 3.0214 3.1597 3.1597 3.3611 3.3611 6.1418 6.1418 6.6336 6.6336 8.1294 8.1294 8.1959 8.1959 9.0749 9.0749 9.1250 9.1250 9.2911 9.2911 k = 0.0000 0.1833-0.0000 ( 23571 PWs) bands (ev): -15.6343 -15.6343 -15.6269 -15.6269 -10.6171 -10.6171 -10.2147 -10.2147 -9.8430 -9.8430 -9.8197 -9.8197 -4.4036 -4.4036 -4.3882 -4.3882 -3.0105 -3.0105 -2.9797 -2.9797 -2.9543 -2.9543 -2.9143 -2.9143 -0.2743 -0.2743 -0.1612 -0.1612 0.3233 0.3233 0.3342 0.3342 0.4994 0.4994 0.5835 0.5835 0.7055 0.7055 0.9417 0.9417 1.2289 1.2289 1.3291 1.3291 1.5465 1.5465 1.7196 1.7196 1.7340 1.7340 1.9837 1.9837 2.1595 2.1595 2.4430 2.4430 2.5503 2.5503 2.6458 2.6458 2.7796 2.7796 3.0165 3.0165 3.1441 3.1441 3.3464 3.3464 6.2336 6.2336 6.7001 6.7001 8.2001 8.2001 8.2482 8.2482 9.1159 9.1159 9.1544 9.1544 9.3071 9.3071 k = 0.0000 0.2000-0.0000 ( 23573 PWs) bands (ev): -15.6339 -15.6339 -15.6267 -15.6267 -10.6094 -10.6094 -10.2210 -10.2210 -9.8431 -9.8431 -9.8207 -9.8207 -4.4034 -4.4034 -4.3882 -4.3882 -3.0108 -3.0108 -2.9797 -2.9797 -2.9532 -2.9532 -2.9144 -2.9144 -0.2721 -0.2721 -0.1521 -0.1521 0.3135 0.3135 0.3447 0.3447 0.4989 0.4989 0.5790 0.5790 0.6980 0.6980 0.9531 0.9531 1.2235 1.2235 1.3200 1.3200 1.5356 1.5356 1.6770 1.6770 1.7220 1.7220 1.9956 1.9956 2.1439 2.1439 2.4434 2.4434 2.5423 2.5423 2.6325 2.6325 2.7777 2.7777 3.0111 3.0111 3.1264 3.1264 3.3305 3.3305 6.3289 6.3289 6.7708 6.7708 8.2748 8.2748 8.3044 8.3044 9.1600 9.1600 9.1783 9.1783 9.3255 9.3255 k = 0.0000 0.2167-0.0000 ( 23585 PWs) bands (ev): -15.6334 -15.6334 -15.6265 -15.6265 -10.6012 -10.6012 -10.2278 -10.2278 -9.8432 -9.8432 -9.8217 -9.8217 -4.4032 -4.4032 -4.3883 -4.3883 -3.0111 -3.0111 -2.9799 -2.9799 -2.9520 -2.9520 -2.9146 -2.9146 -0.2687 -0.2687 -0.1419 -0.1419 0.3034 0.3034 0.3544 0.3544 0.4983 0.4983 0.5713 0.5713 0.6924 0.6924 0.9653 0.9653 1.2167 1.2167 1.3111 1.3111 1.5240 1.5240 1.6197 1.6197 1.7250 1.7250 2.0073 2.0073 2.1291 2.1291 2.4417 2.4417 2.5341 2.5341 2.6227 2.6227 2.7764 2.7764 3.0052 3.0052 3.1066 3.1066 3.3135 3.3135 6.4269 6.4269 6.8452 6.8452 8.3529 8.3529 8.3641 8.3641 9.1940 9.1940 9.2070 9.2070 9.3466 9.3466 k = 0.0000 0.2333-0.0000 ( 23603 PWs) bands (ev): -15.6329 -15.6329 -15.6264 -15.6264 -10.5924 -10.5924 -10.2351 -10.2351 -9.8433 -9.8433 -9.8228 -9.8228 -4.4030 -4.4030 -4.3883 -4.3883 -3.0113 -3.0113 -2.9803 -2.9803 -2.9506 -2.9506 -2.9147 -2.9147 -0.2638 -0.2638 -0.1307 -0.1307 0.2930 0.2930 0.3633 0.3633 0.4975 0.4975 0.5606 0.5606 0.6884 0.6884 0.9779 0.9779 1.2084 1.2084 1.3022 1.3022 1.5117 1.5117 1.5628 1.5628 1.7295 1.7295 2.0191 2.0191 2.1149 2.1149 2.4375 2.4375 2.5265 2.5265 2.6162 2.6162 2.7758 2.7758 2.9988 2.9988 3.0853 3.0853 3.2954 3.2954 6.5267 6.5267 6.9228 6.9228 8.4265 8.4265 8.4337 8.4337 9.2001 9.2001 9.2562 9.2562 9.3703 9.3703 k = 0.0000 0.2500-0.0000 ( 23609 PWs) bands (ev): -15.6324 -15.6324 -15.6262 -15.6262 -10.5831 -10.5831 -10.2429 -10.2429 -9.8434 -9.8434 -9.8240 -9.8240 -4.4027 -4.4027 -4.3884 -4.3884 -3.0115 -3.0115 -2.9807 -2.9807 -2.9492 -2.9492 -2.9148 -2.9148 -0.2574 -0.2574 -0.1184 -0.1184 0.2823 0.2823 0.3709 0.3709 0.4965 0.4965 0.5476 0.5476 0.6859 0.6859 0.9908 0.9908 1.1981 1.1981 1.2929 1.2929 1.4963 1.4963 1.5108 1.5108 1.7352 1.7352 2.0309 2.0309 2.1011 2.1011 2.4305 2.4305 2.5200 2.5200 2.6127 2.6127 2.7759 2.7759 2.9921 2.9921 3.0626 3.0626 3.2763 3.2763 6.6276 6.6276 7.0029 7.0029 8.4913 8.4913 8.5162 8.5162 9.1967 9.1967 9.3068 9.3068 9.3966 9.3966 k = 0.0000 0.2667-0.0000 ( 23607 PWs) bands (ev): -15.6319 -15.6319 -15.6260 -15.6260 -10.5733 -10.5733 -10.2512 -10.2512 -9.8435 -9.8435 -9.8251 -9.8251 -4.4024 -4.4024 -4.3886 -4.3886 -3.0115 -3.0115 -2.9814 -2.9814 -2.9476 -2.9476 -2.9149 -2.9149 -0.2494 -0.2494 -0.1051 -0.1051 0.2713 0.2713 0.3771 0.3771 0.4948 0.4948 0.5336 0.5336 0.6843 0.6843 1.0037 1.0037 1.1849 1.1849 1.2826 1.2826 1.4551 1.4551 1.4893 1.4893 1.7421 1.7421 2.0428 2.0428 2.0877 2.0877 2.4210 2.4210 2.5150 2.5150 2.6119 2.6119 2.7768 2.7768 2.9849 2.9849 3.0391 3.0391 3.2562 3.2562 6.7289 6.7289 7.0848 7.0848 8.5574 8.5574 8.5997 8.5997 9.1856 9.1856 9.3575 9.3575 9.4254 9.4254 k = 0.0000 0.2833-0.0000 ( 23613 PWs) bands (ev): -15.6314 -15.6314 -15.6258 -15.6258 -10.5631 -10.5631 -10.2600 -10.2600 -9.8436 -9.8436 -9.8263 -9.8263 -4.4020 -4.4020 -4.3888 -4.3888 -3.0115 -3.0115 -2.9822 -2.9822 -2.9459 -2.9459 -2.9150 -2.9150 -0.2396 -0.2396 -0.0908 -0.0908 0.2599 0.2599 0.3814 0.3814 0.4914 0.4914 0.5205 0.5205 0.6831 0.6831 1.0164 1.0164 1.1673 1.1673 1.2707 1.2707 1.4133 1.4133 1.4765 1.4765 1.7499 1.7499 2.0548 2.0548 2.0745 2.0745 2.4095 2.4095 2.5111 2.5111 2.6132 2.6132 2.7784 2.7784 2.9771 2.9771 3.0153 3.0153 3.2353 3.2353 6.8300 6.8300 7.1678 7.1678 8.6237 8.6237 8.6834 8.6834 9.1698 9.1698 9.4059 9.4059 9.4563 9.4563 k = 0.0000 0.3000-0.0000 ( 23621 PWs) bands (ev): -15.6308 -15.6308 -15.6257 -15.6257 -10.5524 -10.5524 -10.2692 -10.2692 -9.8436 -9.8436 -9.8275 -9.8275 -4.4016 -4.4016 -4.3890 -4.3890 -3.0114 -3.0114 -2.9832 -2.9832 -2.9441 -2.9441 -2.9152 -2.9152 -0.2279 -0.2279 -0.0757 -0.0757 0.2481 0.2481 0.3830 0.3830 0.4848 0.4848 0.5112 0.5112 0.6819 0.6819 1.0282 1.0282 1.1438 1.1438 1.2575 1.2575 1.3814 1.3814 1.4643 1.4643 1.7586 1.7586 2.0598 2.0598 2.0687 2.0687 2.3967 2.3967 2.5082 2.5082 2.6163 2.6163 2.7809 2.7809 2.9683 2.9683 2.9922 2.9922 3.2137 3.2137 6.9300 6.9300 7.2512 7.2512 8.6883 8.6883 8.7663 8.7663 9.1526 9.1526 9.4476 9.4476 9.4891 9.4891 k = 0.0000 0.3167-0.0000 ( 23619 PWs) bands (ev): -15.6303 -15.6303 -15.6255 -15.6255 -10.5414 -10.5414 -10.2788 -10.2788 -9.8435 -9.8435 -9.8287 -9.8287 -4.4012 -4.4012 -4.3893 -4.3893 -3.0112 -3.0112 -2.9843 -2.9843 -2.9423 -2.9423 -2.9154 -2.9154 -0.2145 -0.2145 -0.0597 -0.0597 0.2357 0.2357 0.3808 0.3808 0.4760 0.4760 0.5065 0.5065 0.6805 0.6805 1.0371 1.0371 1.1151 1.1151 1.2445 1.2445 1.3599 1.3599 1.4524 1.4524 1.7680 1.7680 2.0474 2.0474 2.0807 2.0807 2.3831 2.3831 2.5060 2.5060 2.6204 2.6204 2.7841 2.7841 2.9564 2.9564 2.9725 2.9725 3.1914 3.1914 7.0285 7.0285 7.3340 7.3340 8.7485 8.7485 8.8475 8.8475 9.1381 9.1381 9.4741 9.4741 9.5255 9.5255 k = 0.0000 0.3333-0.0000 ( 23600 PWs) bands (ev): -15.6298 -15.6298 -15.6254 -15.6254 -10.5301 -10.5301 -10.2889 -10.2889 -9.8434 -9.8434 -9.8298 -9.8298 -4.4007 -4.4007 -4.3896 -4.3896 -3.0108 -3.0108 -2.9856 -2.9856 -2.9404 -2.9404 -2.9156 -2.9156 -0.1992 -0.1992 -0.0428 -0.0428 0.2226 0.2226 0.3735 0.3735 0.4683 0.4683 0.5042 0.5042 0.6790 0.6790 1.0346 1.0346 1.0908 1.0908 1.2333 1.2333 1.3466 1.3466 1.4408 1.4408 1.7781 1.7781 2.0343 2.0343 2.0937 2.0937 2.3692 2.3692 2.5047 2.5047 2.6249 2.6249 2.7882 2.7882 2.9385 2.9385 2.9596 2.9596 3.1685 3.1685 7.1247 7.1247 7.4153 7.4153 8.7998 8.7998 8.9263 8.9263 9.1313 9.1313 9.4782 9.4782 9.5664 9.5664 k = 0.0000 0.3500-0.0000 ( 23604 PWs) bands (ev): -15.6293 -15.6293 -15.6253 -15.6253 -10.5184 -10.5184 -10.2993 -10.2993 -9.8433 -9.8433 -9.8310 -9.8310 -4.4002 -4.4002 -4.3900 -4.3900 -3.0104 -3.0104 -2.9870 -2.9870 -2.9385 -2.9385 -2.9160 -2.9160 -0.1821 -0.1821 -0.0252 -0.0252 0.2087 0.2087 0.3610 0.3610 0.4639 0.4639 0.5028 0.5028 0.6775 0.6775 1.0075 1.0075 1.0871 1.0871 1.2243 1.2243 1.3387 1.3387 1.4296 1.4296 1.7888 1.7888 2.0211 2.0211 2.1070 2.1070 2.3553 2.3553 2.5042 2.5042 2.6291 2.6291 2.7930 2.7930 2.9190 2.9190 2.9502 2.9502 3.1452 3.1452 7.2181 7.2181 7.4938 7.4938 8.8370 8.8370 9.0013 9.0013 9.1381 9.1381 9.4600 9.4600 9.6103 9.6103 k = 0.0000 0.3667-0.0000 ( 23604 PWs) bands (ev): -15.6288 -15.6288 -15.6253 -15.6253 -10.5065 -10.5065 -10.3101 -10.3101 -9.8431 -9.8431 -9.8321 -9.8321 -4.3997 -4.3997 -4.3904 -4.3904 -3.0098 -3.0098 -2.9884 -2.9884 -2.9366 -2.9366 -2.9163 -2.9163 -0.1633 -0.1633 -0.0068 -0.0068 0.1939 0.1939 0.3442 0.3442 0.4626 0.4626 0.5018 0.5018 0.6761 0.6761 0.9676 0.9676 1.0947 1.0947 1.2169 1.2169 1.3342 1.3342 1.4188 1.4188 1.8000 1.8000 2.0078 2.0078 2.1208 2.1208 2.3414 2.3414 2.5048 2.5048 2.6318 2.6318 2.7986 2.7986 2.9012 2.9012 2.9418 2.9418 3.1216 3.1216 7.3079 7.3079 7.5682 7.5682 8.8571 8.8571 9.0713 9.0713 9.1619 9.1619 9.4249 9.4249 9.6562 9.6562 k = 0.0000 0.3833-0.0000 ( 23602 PWs) bands (ev): -15.6284 -15.6284 -15.6252 -15.6252 -10.4943 -10.4943 -10.3212 -10.3212 -9.8429 -9.8429 -9.8332 -9.8332 -4.3991 -4.3991 -4.3908 -4.3908 -3.0091 -3.0091 -2.9900 -2.9900 -2.9347 -2.9347 -2.9168 -2.9168 -0.1430 -0.1430 0.0123 0.0123 0.1779 0.1779 0.3245 0.3245 0.4635 0.4635 0.5009 0.5009 0.6752 0.6752 0.9255 0.9255 1.1049 1.1049 1.2107 1.2107 1.3321 1.3321 1.4084 1.4084 1.8117 1.8117 1.9946 1.9946 2.1348 2.1348 2.3277 2.3277 2.5066 2.5066 2.6323 2.6323 2.8050 2.8050 2.8868 2.8868 2.9337 2.9337 3.0979 3.0979 7.3937 7.3937 7.6369 7.6369 8.8630 8.8630 9.1334 9.1334 9.2000 9.2000 9.3810 9.3810 9.7042 9.7042 k = 0.0000 0.4000-0.0000 ( 23596 PWs) bands (ev): -15.6279 -15.6279 -15.6252 -15.6252 -10.4820 -10.4820 -10.3327 -10.3327 -9.8426 -9.8426 -9.8342 -9.8342 -4.3985 -4.3985 -4.3913 -4.3913 -3.0083 -3.0083 -2.9916 -2.9916 -2.9328 -2.9328 -2.9174 -2.9174 -0.1212 -0.1212 0.0320 0.0320 0.1607 0.1607 0.3029 0.3029 0.4657 0.4657 0.4999 0.4999 0.6751 0.6751 0.8846 0.8846 1.1155 1.1155 1.2052 1.2052 1.3316 1.3316 1.3985 1.3985 1.8238 1.8238 1.9813 1.9813 2.1490 2.1490 2.3143 2.3143 2.5098 2.5098 2.6298 2.6298 2.8121 2.8121 2.8765 2.8765 2.9263 2.9263 3.0741 3.0741 7.4745 7.4745 7.6980 7.6980 8.8618 8.8618 9.1803 9.1803 9.2455 9.2455 9.3396 9.3396 9.7539 9.7539 k = 0.0000 0.4167-0.0000 ( 23600 PWs) bands (ev): -15.6275 -15.6275 -15.6252 -15.6252 -10.4695 -10.4695 -10.3444 -10.3444 -9.8422 -9.8422 -9.8352 -9.8352 -4.3979 -4.3979 -4.3918 -4.3918 -3.0073 -3.0073 -2.9932 -2.9932 -2.9310 -2.9310 -2.9180 -2.9180 -0.0981 -0.0981 0.0522 0.0522 0.1423 0.1423 0.2804 0.2804 0.4688 0.4688 0.4987 0.4987 0.6762 0.6762 0.8465 0.8465 1.1259 1.1259 1.1999 1.1999 1.3325 1.3325 1.3891 1.3891 1.8362 1.8362 1.9680 1.9680 2.1634 2.1634 2.3009 2.3009 2.5145 2.5145 2.6238 2.6238 2.8198 2.8198 2.8706 2.8706 2.9198 2.9198 3.0505 3.0505 7.5498 7.5498 7.7495 7.7495 8.8600 8.8600 9.1907 9.1907 9.2921 9.2921 9.3249 9.3249 9.8054 9.8054 k = 0.0000 0.4333-0.0000 ( 23624 PWs) bands (ev): -15.6271 -15.6271 -15.6253 -15.6253 -10.4569 -10.4569 -10.3563 -10.3563 -9.8418 -9.8418 -9.8362 -9.8362 -4.3973 -4.3973 -4.3923 -4.3923 -3.0063 -3.0063 -2.9948 -2.9948 -2.9292 -2.9292 -2.9188 -2.9188 -0.0739 -0.0739 0.0724 0.0724 0.1230 0.1230 0.2573 0.2573 0.4723 0.4723 0.4971 0.4971 0.6789 0.6789 0.8120 0.8120 1.1360 1.1360 1.1946 1.1946 1.3345 1.3345 1.3803 1.3803 1.8489 1.8489 1.9547 1.9547 2.1778 2.1778 2.2877 2.2877 2.5209 2.5209 2.6146 2.6146 2.8278 2.8278 2.8684 2.8684 2.9152 2.9152 3.0273 3.0273 7.6186 7.6186 7.7893 7.7893 8.8624 8.8624 9.1565 9.1565 9.3352 9.3352 9.3463 9.3463 9.8583 9.8583 k = 0.0000 0.4500-0.0000 ( 23632 PWs) bands (ev): -15.6268 -15.6268 -15.6254 -15.6254 -10.4442 -10.4442 -10.3685 -10.3685 -9.8413 -9.8413 -9.8371 -9.8371 -4.3967 -4.3967 -4.3929 -4.3929 -3.0051 -3.0051 -2.9964 -2.9964 -2.9276 -2.9276 -2.9197 -2.9197 -0.0491 -0.0491 0.0878 0.0878 0.1077 0.1077 0.2339 0.2339 0.4760 0.4760 0.4952 0.4952 0.6837 0.6837 0.7814 0.7814 1.1455 1.1455 1.1892 1.1892 1.3374 1.3374 1.3721 1.3721 1.8618 1.8618 1.9413 1.9413 2.1921 2.1921 2.2745 2.2745 2.5290 2.5290 2.6030 2.6030 2.8355 2.8355 2.8678 2.8678 2.9143 2.9143 3.0048 3.0048 7.6800 7.6800 7.8157 7.8157 8.8721 8.8721 9.1056 9.1056 9.3714 9.3714 9.3767 9.3767 9.9125 9.9125 k = 0.0000 0.4667-0.0000 ( 23628 PWs) bands (ev): -15.6265 -15.6265 -15.6256 -15.6256 -10.4314 -10.4314 -10.3809 -10.3809 -9.8408 -9.8408 -9.8380 -9.8380 -4.3960 -4.3960 -4.3935 -4.3935 -3.0039 -3.0039 -2.9980 -2.9980 -2.9260 -2.9260 -2.9207 -2.9207 -0.0237 -0.0237 0.0744 0.0744 0.1204 0.1204 0.2105 0.2105 0.4798 0.4798 0.4929 0.4929 0.6910 0.6910 0.7552 0.7552 1.1543 1.1543 1.1833 1.1833 1.3413 1.3413 1.3645 1.3645 1.8749 1.8749 1.9280 1.9280 2.2064 2.2064 2.2612 2.2612 2.5388 2.5388 2.5898 2.5898 2.8430 2.8430 2.8661 2.8661 2.9190 2.9190 2.9832 2.9832 7.7326 7.7326 7.8273 7.8273 8.8909 8.8909 9.0525 9.0525 9.3990 9.3990 9.4022 9.4022 9.9676 9.9676 k = 0.0000 0.4833-0.0000 ( 23646 PWs) bands (ev): -15.6262 -15.6262 -15.6257 -15.6257 -10.4187 -10.4187 -10.3934 -10.3934 -9.8402 -9.8402 -9.8388 -9.8388 -4.3954 -4.3954 -4.3941 -4.3941 -3.0025 -3.0025 -2.9996 -2.9996 -2.9245 -2.9245 -2.9219 -2.9219 0.0018 0.0018 0.0515 0.0515 0.1418 0.1418 0.1873 0.1873 0.4835 0.4835 0.4901 0.4901 0.7015 0.7015 0.7332 0.7332 1.1625 1.1625 1.1770 1.1770 1.3460 1.3460 1.3576 1.3576 1.8880 1.8880 1.9146 1.9146 2.2204 2.2204 2.2478 2.2478 2.5501 2.5501 2.5761 2.5761 2.8501 2.8501 2.8622 2.8622 2.9296 2.9296 2.9630 2.9630 7.7752 7.7752 7.8240 7.8240 8.9194 8.9194 9.0019 9.0019 9.4166 9.4166 9.4182 9.4182 10.0233 10.0233 k = 0.0000 0.5000-0.0000 ( 23652 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4060 -10.4060 -10.4060 -10.4060 -9.8395 -9.8395 -9.8395 -9.8395 -4.3947 -4.3947 -4.3947 -4.3947 -3.0011 -3.0011 -3.0011 -3.0011 -2.9231 -2.9231 -2.9231 -2.9231 0.0270 0.0270 0.0270 0.0270 0.1643 0.1643 0.1643 0.1643 0.4870 0.4870 0.4870 0.4870 0.7154 0.7154 0.7154 0.7154 1.1701 1.1701 1.1701 1.1701 1.3514 1.3514 1.3514 1.3514 1.9013 1.9013 1.9013 1.9013 2.2342 2.2342 2.2342 2.2342 2.5627 2.5627 2.5627 2.5627 2.8566 2.8566 2.8566 2.8566 2.9448 2.9448 2.9448 2.9448 7.8062 7.8062 7.8062 7.8062 8.9569 8.9569 8.9569 8.9569 9.4231 9.4231 9.4231 9.4231 10.0788 10.0788 k = 0.0000 0.5000-0.0000 ( 23652 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4060 -10.4060 -10.4060 -10.4060 -9.8395 -9.8395 -9.8395 -9.8395 -4.3947 -4.3947 -4.3947 -4.3947 -3.0011 -3.0011 -3.0011 -3.0011 -2.9231 -2.9231 -2.9231 -2.9231 0.0270 0.0270 0.0270 0.0270 0.1643 0.1643 0.1643 0.1643 0.4870 0.4870 0.4870 0.4870 0.7154 0.7154 0.7154 0.7154 1.1701 1.1701 1.1701 1.1701 1.3514 1.3514 1.3514 1.3514 1.9013 1.9013 1.9013 1.9013 2.2342 2.2342 2.2342 2.2342 2.5627 2.5627 2.5627 2.5627 2.8566 2.8566 2.8566 2.8566 2.9448 2.9448 2.9448 2.9448 7.8062 7.8062 7.8062 7.8062 8.9569 8.9569 8.9569 8.9569 9.4231 9.4231 9.4231 9.4231 10.0788 10.0788 k = 0.0167 0.5000-0.0000 ( 23654 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4059 -10.4059 -10.4059 -10.4059 -9.8395 -9.8395 -9.8395 -9.8395 -4.3953 -4.3953 -4.3945 -4.3945 -3.0015 -3.0015 -3.0010 -3.0010 -2.9241 -2.9241 -2.9230 -2.9230 0.0181 0.0181 0.0284 0.0284 0.1577 0.1577 0.1741 0.1741 0.4845 0.4845 0.4895 0.4895 0.7164 0.7164 0.7177 0.7177 1.1703 1.1703 1.1705 1.1705 1.3461 1.3461 1.3574 1.3574 1.8945 1.8945 1.9066 1.9066 2.2308 2.2308 2.2371 2.2371 2.5489 2.5489 2.5751 2.5751 2.8462 2.8462 2.8669 2.8669 2.9467 2.9467 2.9487 2.9487 7.8063 7.8063 7.8081 7.8081 8.9543 8.9543 8.9552 8.9552 9.4240 9.4240 9.4241 9.4241 10.0734 10.0760 k = 0.0333 0.5000-0.0000 ( 23630 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4057 -10.4057 -10.4056 -10.4056 -9.8394 -9.8394 -9.8394 -9.8394 -4.3963 -4.3963 -4.3945 -4.3945 -3.0022 -3.0022 -3.0013 -3.0013 -2.9259 -2.9259 -2.9238 -2.9238 0.0037 0.0037 0.0215 0.0215 0.1554 0.1554 0.1853 0.1853 0.4823 0.4823 0.4919 0.4919 0.7209 0.7209 0.7233 0.7233 1.1712 1.1712 1.1719 1.1719 1.3416 1.3416 1.3640 1.3640 1.8863 1.8863 1.9104 1.9104 2.2271 2.2271 2.2392 2.2392 2.5350 2.5350 2.5849 2.5849 2.8376 2.8376 2.8744 2.8744 2.9562 2.9562 2.9576 2.9576 7.8085 7.8085 7.8121 7.8121 8.9474 8.9474 8.9491 8.9491 9.4270 9.4270 9.4271 9.4271 10.0541 10.0559 k = 0.0500 0.5000-0.0000 ( 23630 PWs) bands (ev): -15.6258 -15.6258 -15.6258 -15.6258 -10.4053 -10.4053 -10.4052 -10.4052 -9.8392 -9.8392 -9.8392 -9.8392 -4.3975 -4.3975 -4.3949 -4.3949 -3.0033 -3.0033 -3.0019 -3.0019 -2.9286 -2.9286 -2.9255 -2.9255 -0.0151 -0.0151 0.0067 0.0067 0.1574 0.1574 0.1966 0.1966 0.4804 0.4804 0.4940 0.4940 0.7285 0.7285 0.7319 0.7319 1.1726 1.1726 1.1742 1.1742 1.3380 1.3380 1.3709 1.3709 1.8766 1.8766 1.9126 1.9126 2.2234 2.2234 2.2402 2.2402 2.5222 2.5222 2.5915 2.5915 2.8311 2.8311 2.8772 2.8772 2.9713 2.9713 2.9741 2.9741 7.8126 7.8126 7.8180 7.8180 8.9361 8.9361 8.9387 8.9387 9.4321 9.4321 9.4324 9.4324 10.0257 10.0263 k = 0.0667 0.5000-0.0000 ( 23618 PWs) bands (ev): -15.6257 -15.6257 -15.6257 -15.6257 -10.4048 -10.4048 -10.4046 -10.4046 -9.8389 -9.8389 -9.8389 -9.8389 -4.3991 -4.3991 -4.3957 -4.3957 -3.0046 -3.0046 -3.0028 -3.0028 -2.9321 -2.9321 -2.9280 -2.9280 -0.0371 -0.0371 -0.0143 -0.0143 0.1623 0.1623 0.2074 0.2074 0.4791 0.4791 0.4957 0.4957 0.7391 0.7391 0.7431 0.7431 1.1743 1.1743 1.1774 1.1774 1.3355 1.3355 1.3781 1.3781 1.8657 1.8657 1.9129 1.9129 2.2200 2.2200 2.2402 2.2402 2.5114 2.5114 2.5947 2.5947 2.8260 2.8260 2.8761 2.8761 2.9903 2.9903 2.9990 2.9990 7.8187 7.8187 7.8258 7.8258 8.9202 8.9202 8.9238 8.9238 9.4399 9.4399 9.4404 9.4404 9.9918 9.9922 k = 0.0833 0.5000-0.0000 ( 23614 PWs) bands (ev): -15.6256 -15.6256 -15.6256 -15.6256 -10.4041 -10.4041 -10.4039 -10.4039 -9.8386 -9.8386 -9.8386 -9.8386 -4.4009 -4.4009 -4.3967 -4.3967 -3.0062 -3.0062 -3.0040 -3.0040 -2.9364 -2.9364 -2.9312 -2.9312 -0.0618 -0.0618 -0.0396 -0.0396 0.1689 0.1689 0.2175 0.2175 0.4783 0.4783 0.4969 0.4969 0.7523 0.7523 0.7566 0.7566 1.1761 1.1761 1.1818 1.1818 1.3340 1.3340 1.3854 1.3854 1.8536 1.8536 1.9115 1.9115 2.2171 2.2171 2.2392 2.2392 2.5031 2.5031 2.5950 2.5950 2.8214 2.8214 2.8721 2.8721 3.0146 3.0146 3.0292 3.0292 7.8264 7.8264 7.8353 7.8353 8.8997 8.8997 8.9044 8.9044 9.4506 9.4506 9.4515 9.4515 9.9557 9.9558 k = 0.1000 0.5000-0.0000 ( 23610 PWs) bands (ev): -15.6255 -15.6255 -15.6255 -15.6255 -10.4032 -10.4032 -10.4030 -10.4030 -9.8382 -9.8382 -9.8382 -9.8382 -4.4030 -4.4030 -4.3981 -4.3981 -3.0081 -3.0081 -3.0056 -3.0056 -2.9414 -2.9414 -2.9353 -2.9353 -0.0886 -0.0886 -0.0679 -0.0679 0.1762 0.1762 0.2267 0.2267 0.4780 0.4780 0.4977 0.4977 0.7674 0.7674 0.7721 0.7721 1.1779 1.1779 1.1872 1.1872 1.3336 1.3336 1.3926 1.3926 1.8403 1.8403 1.9082 1.9082 2.2148 2.2148 2.2376 2.2376 2.4976 2.4976 2.5934 2.5934 2.8165 2.8165 2.8662 2.8662 3.0441 3.0441 3.0630 3.0630 7.8358 7.8358 7.8463 7.8463 8.8747 8.8747 8.8806 8.8806 9.4645 9.4645 9.4660 9.4660 9.9208 9.9208 k = 0.1167 0.5000-0.0000 ( 23606 PWs) bands (ev): -15.6253 -15.6253 -15.6253 -15.6253 -10.4022 -10.4022 -10.4020 -10.4020 -9.8378 -9.8378 -9.8377 -9.8377 -4.4053 -4.4053 -4.3997 -4.3997 -3.0103 -3.0103 -3.0075 -3.0075 -2.9471 -2.9471 -2.9399 -2.9399 -0.1170 -0.1170 -0.0984 -0.0984 0.1840 0.1840 0.2353 0.2353 0.4780 0.4780 0.4981 0.4981 0.7842 0.7842 0.7891 0.7891 1.1796 1.1796 1.1936 1.1936 1.3344 1.3344 1.3997 1.3997 1.8262 1.8262 1.9029 1.9029 2.2133 2.2133 2.2356 2.2356 2.4948 2.4948 2.5905 2.5905 2.8106 2.8106 2.8587 2.8587 3.0780 3.0780 3.0998 3.0998 7.8464 7.8464 7.8587 7.8587 8.8456 8.8456 8.8526 8.8526 9.4819 9.4819 9.4840 9.4840 9.8889 9.8889 k = 0.1333 0.5000-0.0000 ( 23606 PWs) bands (ev): -15.6251 -15.6251 -15.6251 -15.6251 -10.4011 -10.4011 -10.4008 -10.4008 -9.8373 -9.8373 -9.8372 -9.8372 -4.4079 -4.4079 -4.4016 -4.4016 -3.0126 -3.0126 -3.0096 -3.0096 -2.9534 -2.9534 -2.9452 -2.9452 -0.1467 -0.1467 -0.1302 -0.1302 0.1920 0.1920 0.2434 0.2434 0.4784 0.4784 0.4983 0.4983 0.8021 0.8021 0.8074 0.8074 1.1808 1.1808 1.2011 1.2011 1.3364 1.3364 1.4064 1.4064 1.8112 1.8112 1.8958 1.8958 2.2127 2.2127 2.2338 2.2338 2.4945 2.4945 2.5872 2.5872 2.8035 2.8035 2.8499 2.8499 3.1157 3.1157 3.1388 3.1388 7.8582 7.8582 7.8720 7.8720 8.8127 8.8127 8.8208 8.8208 9.5028 9.5028 9.5055 9.5055 9.8613 9.8614 k = 0.1500 0.5000-0.0000 ( 23598 PWs) bands (ev): -15.6249 -15.6249 -15.6249 -15.6249 -10.3999 -10.3999 -10.3996 -10.3996 -9.8367 -9.8367 -9.8367 -9.8367 -4.4107 -4.4107 -4.4038 -4.4038 -3.0151 -3.0151 -3.0121 -3.0121 -2.9602 -2.9602 -2.9511 -2.9511 -0.1772 -0.1772 -0.1630 -0.1630 0.2002 0.2002 0.2510 0.2510 0.4790 0.4790 0.4982 0.4982 0.8206 0.8206 0.8265 0.8265 1.1816 1.1816 1.2095 1.2095 1.3397 1.3397 1.4126 1.4126 1.7958 1.7958 1.8871 1.8871 2.2130 2.2130 2.2325 2.2325 2.4962 2.4962 2.5838 2.5838 2.7952 2.7952 2.8399 2.8399 3.1562 3.1562 3.1796 3.1796 7.8708 7.8708 7.8861 7.8861 8.7766 8.7766 8.7856 8.7856 9.5272 9.5272 9.5306 9.5306 9.8390 9.8390 k = 0.1667 0.5000-0.0000 ( 23602 PWs) bands (ev): -15.6247 -15.6247 -15.6247 -15.6247 -10.3985 -10.3985 -10.3982 -10.3982 -9.8361 -9.8361 -9.8361 -9.8361 -4.4136 -4.4136 -4.4062 -4.4062 -3.0178 -3.0178 -3.0149 -3.0149 -2.9674 -2.9674 -2.9573 -2.9573 -0.2083 -0.2083 -0.1962 -0.1962 0.2084 0.2084 0.2584 0.2584 0.4797 0.4797 0.4979 0.4979 0.8393 0.8393 0.8461 0.8461 1.1818 1.1818 1.2187 1.2187 1.3440 1.3440 1.4183 1.4183 1.7802 1.7802 1.8769 1.8769 2.2141 2.2141 2.2320 2.2320 2.4997 2.4997 2.5807 2.5807 2.7857 2.7857 2.8288 2.8288 3.1989 3.1989 3.2217 3.2217 7.8840 7.8840 7.9006 7.9006 8.7379 8.7379 8.7476 8.7476 9.5550 9.5550 9.5589 9.5589 9.8223 9.8223 k = 0.1833 0.5000-0.0000 ( 23582 PWs) bands (ev): -15.6245 -15.6245 -15.6245 -15.6245 -10.3971 -10.3971 -10.3968 -10.3968 -9.8355 -9.8355 -9.8354 -9.8354 -4.4166 -4.4166 -4.4089 -4.4089 -3.0207 -3.0207 -3.0179 -3.0179 -2.9749 -2.9749 -2.9639 -2.9639 -0.2397 -0.2397 -0.2295 -0.2295 0.2167 0.2167 0.2656 0.2656 0.4806 0.4806 0.4974 0.4974 0.8579 0.8579 0.8658 0.8658 1.1815 1.1815 1.2286 1.2286 1.3496 1.3496 1.4234 1.4234 1.7646 1.7646 1.8657 1.8657 2.2161 2.2161 2.2323 2.2323 2.5045 2.5045 2.5782 2.5782 2.7751 2.7751 2.8167 2.8167 3.2432 3.2432 3.2649 3.2649 7.8974 7.8974 7.9153 7.9153 8.6973 8.6973 8.7076 8.7076 9.5858 9.5858 9.5900 9.5900 9.8116 9.8116 k = 0.2000 0.5000-0.0000 ( 23622 PWs) bands (ev): -15.6242 -15.6242 -15.6242 -15.6242 -10.3956 -10.3956 -10.3953 -10.3953 -9.8348 -9.8348 -9.8348 -9.8348 -4.4198 -4.4198 -4.4117 -4.4117 -3.0236 -3.0236 -3.0211 -3.0211 -2.9827 -2.9827 -2.9708 -2.9708 -0.2709 -0.2709 -0.2626 -0.2626 0.2252 0.2252 0.2727 0.2727 0.4815 0.4815 0.4969 0.4969 0.8761 0.8761 0.8855 0.8855 1.1805 1.1805 1.2388 1.2388 1.3561 1.3561 1.4280 1.4280 1.7495 1.7495 1.8538 1.8538 2.2187 2.2187 2.2335 2.2335 2.5102 2.5102 2.5761 2.5761 2.7637 2.7637 2.8036 2.8036 3.2885 3.2885 3.3087 3.3087 7.9108 7.9108 7.9298 7.9298 8.6554 8.6554 8.6662 8.6662 9.6193 9.6193 9.6236 9.6236 9.8069 9.8069 k = 0.2167 0.5000-0.0000 ( 23632 PWs) bands (ev): -15.6240 -15.6240 -15.6240 -15.6240 -10.3941 -10.3941 -10.3937 -10.3937 -9.8341 -9.8341 -9.8341 -9.8341 -4.4230 -4.4230 -4.4147 -4.4147 -3.0266 -3.0266 -3.0246 -3.0246 -2.9907 -2.9907 -2.9778 -2.9778 -0.3018 -0.3018 -0.2952 -0.2952 0.2338 0.2338 0.2798 0.2798 0.4825 0.4825 0.4963 0.4963 0.8935 0.8935 0.9047 0.9047 1.1790 1.1790 1.2490 1.2490 1.3637 1.3637 1.4324 1.4324 1.7351 1.7351 1.8415 1.8415 2.2220 2.2220 2.2355 2.2355 2.5167 2.5167 2.5746 2.5746 2.7515 2.7515 2.7897 2.7897 3.3344 3.3344 3.3529 3.3529 7.9239 7.9239 7.9438 7.9438 8.6128 8.6128 8.6239 8.6239 9.6551 9.6551 9.6591 9.6591 9.8084 9.8084 k = 0.2333 0.5000-0.0000 ( 23604 PWs) bands (ev): -15.6237 -15.6237 -15.6237 -15.6237 -10.3925 -10.3925 -10.3921 -10.3921 -9.8334 -9.8334 -9.8334 -9.8334 -4.4262 -4.4262 -4.4177 -4.4177 -3.0297 -3.0297 -3.0283 -3.0283 -2.9988 -2.9988 -2.9848 -2.9848 -0.3322 -0.3322 -0.3270 -0.3270 0.2425 0.2425 0.2869 0.2869 0.4834 0.4834 0.4957 0.4957 0.9099 0.9099 0.9231 0.9231 1.1770 1.1770 1.2587 1.2587 1.3723 1.3723 1.4368 1.4368 1.7218 1.7218 1.8293 1.8293 2.2258 2.2258 2.2382 2.2382 2.5237 2.5237 2.5735 2.5735 2.7387 2.7387 2.7750 2.7750 3.3803 3.3803 3.3971 3.3971 7.9365 7.9365 7.9570 7.9570 8.5702 8.5702 8.5814 8.5814 9.6928 9.6928 9.6957 9.6957 9.8158 9.8158 k = 0.2500 0.5000-0.0000 ( 23600 PWs) bands (ev): -15.6235 -15.6235 -15.6235 -15.6235 -10.3909 -10.3909 -10.3905 -10.3905 -9.8327 -9.8327 -9.8326 -9.8326 -4.4294 -4.4294 -4.4209 -4.4209 -3.0327 -3.0327 -3.0322 -3.0322 -3.0068 -3.0068 -2.9919 -2.9919 -0.3617 -0.3617 -0.3578 -0.3578 0.2513 0.2513 0.2940 0.2940 0.4844 0.4844 0.4950 0.4950 0.9253 0.9253 0.9406 0.9406 1.1746 1.1746 1.2671 1.2671 1.3818 1.3818 1.4418 1.4418 1.7097 1.7097 1.8173 1.8173 2.2300 2.2300 2.2414 2.2414 2.5310 2.5310 2.5728 2.5728 2.7256 2.7256 2.7597 2.7597 3.4258 3.4258 3.4409 3.4409 7.9483 7.9483 7.9692 7.9692 8.5282 8.5282 8.5393 8.5393 9.7320 9.7320 9.7328 9.7328 9.8290 9.8290 k = 0.2667 0.5000-0.0000 ( 23606 PWs) bands (ev): -15.6232 -15.6232 -15.6232 -15.6232 -10.3892 -10.3892 -10.3889 -10.3889 -9.8320 -9.8320 -9.8319 -9.8319 -4.4326 -4.4326 -4.4241 -4.4241 -3.0363 -3.0363 -3.0357 -3.0357 -3.0147 -3.0147 -2.9987 -2.9987 -0.3902 -0.3902 -0.3874 -0.3874 0.2603 0.2603 0.3010 0.3010 0.4853 0.4853 0.4943 0.4943 0.9394 0.9394 0.9566 0.9566 1.1722 1.1722 1.2736 1.2736 1.3920 1.3920 1.4478 1.4478 1.6990 1.6990 1.8059 1.8059 2.2344 2.2344 2.2449 2.2449 2.5383 2.5383 2.5723 2.5723 2.7124 2.7124 2.7439 2.7439 3.4706 3.4706 3.4840 3.4840 7.9591 7.9591 7.9801 7.9801 8.4872 8.4872 8.4981 8.4981 9.7697 9.7697 9.7722 9.7722 9.8474 9.8474 k = 0.2833 0.5000-0.0000 ( 23614 PWs) bands (ev): -15.6230 -15.6230 -15.6230 -15.6230 -10.3876 -10.3876 -10.3873 -10.3873 -9.8313 -9.8313 -9.8312 -9.8312 -4.4357 -4.4357 -4.4274 -4.4274 -3.0406 -3.0406 -3.0388 -3.0388 -3.0223 -3.0223 -3.0053 -3.0053 -0.4175 -0.4175 -0.4157 -0.4157 0.2693 0.2693 0.3080 0.3080 0.4862 0.4862 0.4936 0.4936 0.9522 0.9522 0.9711 0.9711 1.1697 1.1697 1.2776 1.2776 1.4031 1.4031 1.4555 1.4555 1.6898 1.6898 1.7952 1.7952 2.2391 2.2391 2.2487 2.2487 2.5456 2.5456 2.5718 2.5718 2.6994 2.6994 2.7277 2.7277 3.5144 3.5144 3.5261 3.5261 7.9687 7.9687 7.9896 7.9896 8.4477 8.4477 8.4583 8.4583 9.8060 9.8060 9.8132 9.8132 9.8704 9.8704 k = 0.3000 0.5000-0.0000 ( 23640 PWs) bands (ev): -15.6227 -15.6227 -15.6227 -15.6227 -10.3861 -10.3861 -10.3857 -10.3857 -9.8306 -9.8306 -9.8305 -9.8305 -4.4387 -4.4387 -4.4306 -4.4306 -3.0450 -3.0450 -3.0418 -3.0418 -3.0296 -3.0296 -3.0116 -3.0116 -0.4434 -0.4434 -0.4424 -0.4424 0.2783 0.2783 0.3149 0.3149 0.4870 0.4870 0.4928 0.4928 0.9636 0.9636 0.9836 0.9836 1.1676 1.1676 1.2787 1.2787 1.4148 1.4148 1.4650 1.4650 1.6822 1.6822 1.7853 1.7853 2.2438 2.2438 2.2526 2.2526 2.5526 2.5526 2.5710 2.5710 2.6870 2.6870 2.7114 2.7114 3.5566 3.5566 3.5669 3.5669 7.9771 7.9771 7.9975 7.9975 8.4102 8.4102 8.4204 8.4204 9.8415 9.8415 9.8552 9.8552 9.8968 9.8968 k = 0.3167 0.5000-0.0000 ( 23622 PWs) bands (ev): -15.6225 -15.6225 -15.6225 -15.6225 -10.3846 -10.3846 -10.3842 -10.3842 -9.8299 -9.8299 -9.8299 -9.8299 -4.4416 -4.4416 -4.4337 -4.4337 -3.0494 -3.0494 -3.0449 -3.0449 -3.0363 -3.0363 -3.0175 -3.0175 -0.4677 -0.4677 -0.4674 -0.4674 0.2874 0.2874 0.3216 0.3216 0.4878 0.4878 0.4921 0.4921 0.9736 0.9736 0.9940 0.9940 1.1661 1.1661 1.2771 1.2771 1.4270 1.4270 1.4763 1.4763 1.6761 1.6761 1.7763 1.7763 2.2485 2.2485 2.2565 2.2565 2.5591 2.5591 2.5696 2.5696 2.6755 2.6755 2.6952 2.6952 3.5970 3.5970 3.6059 3.6059 7.9840 7.9840 8.0038 8.0038 8.3750 8.3750 8.3847 8.3847 9.8767 9.8767 9.8984 9.8984 9.9254 9.9254 k = 0.3333 0.5000-0.0000 ( 23606 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.3831 -10.3831 -10.3828 -10.3828 -9.8293 -9.8293 -9.8292 -9.8292 -4.4443 -4.4443 -4.4368 -4.4368 -3.0539 -3.0539 -3.0485 -3.0485 -3.0420 -3.0420 -3.0230 -3.0230 -0.4906 -0.4906 -0.4904 -0.4904 0.2963 0.2963 0.3280 0.3280 0.4884 0.4884 0.4914 0.4914 0.9822 0.9822 1.0023 1.0023 1.1654 1.1654 1.2729 1.2729 1.4396 1.4396 1.4889 1.4889 1.6715 1.6715 1.7681 1.7681 2.2530 2.2530 2.2602 2.2602 2.5649 2.5649 2.5674 2.5674 2.6653 2.6653 2.6795 2.6795 3.6353 3.6353 3.6429 3.6429 7.9895 7.9895 8.0083 8.0083 8.3426 8.3426 8.3517 8.3517 9.9116 9.9116 9.9432 9.9432 9.9547 9.9547 k = 0.3500 0.5000-0.0000 ( 23614 PWs) bands (ev): -15.6220 -15.6220 -15.6220 -15.6220 -10.3817 -10.3817 -10.3815 -10.3815 -9.8287 -9.8287 -9.8286 -9.8286 -4.4467 -4.4467 -4.4397 -4.4397 -3.0583 -3.0583 -3.0531 -3.0531 -3.0460 -3.0460 -3.0280 -3.0280 -0.5119 -0.5119 -0.5113 -0.5113 0.3050 0.3050 0.3342 0.3342 0.4889 0.4889 0.4908 0.4908 0.9895 0.9895 1.0083 1.0083 1.1657 1.1657 1.2669 1.2669 1.4525 1.4525 1.5022 1.5022 1.6685 1.6685 1.7608 1.7608 2.2574 2.2574 2.2637 2.2637 2.5642 2.5642 2.5697 2.5697 2.6568 2.6568 2.6648 2.6648 3.6710 3.6710 3.6775 3.6775 7.9935 7.9935 8.0111 8.0111 8.3133 8.3133 8.3217 8.3217 9.9458 9.9458 9.9832 9.9832 9.9899 9.9899 k = 0.3667 0.5000-0.0000 ( 23622 PWs) bands (ev): -15.6218 -15.6218 -15.6218 -15.6218 -10.3805 -10.3805 -10.3802 -10.3802 -9.8281 -9.8281 -9.8281 -9.8281 -4.4490 -4.4490 -4.4425 -4.4425 -3.0626 -3.0626 -3.0581 -3.0581 -3.0487 -3.0487 -3.0326 -3.0326 -0.5312 -0.5312 -0.5303 -0.5303 0.3135 0.3135 0.3398 0.3398 0.4894 0.4894 0.4902 0.4902 0.9955 0.9955 1.0122 1.0122 1.1670 1.1670 1.2596 1.2596 1.4654 1.4654 1.5152 1.5152 1.6670 1.6670 1.7543 1.7543 2.2615 2.2615 2.2670 2.2670 2.5598 2.5598 2.5727 2.5727 2.6503 2.6503 2.6518 2.6518 3.7040 3.7040 3.7094 3.7094 7.9960 7.9960 8.0122 8.0122 8.2872 8.2872 8.2949 8.2949 9.9785 9.9785 10.0106 10.0106 10.0383 10.0383 k = 0.3833 0.5000-0.0000 ( 23614 PWs) bands (ev): -15.6216 -15.6216 -15.6216 -15.6216 -10.3793 -10.3793 -10.3791 -10.3791 -9.8276 -9.8276 -9.8276 -9.8276 -4.4509 -4.4509 -4.4451 -4.4451 -3.0666 -3.0666 -3.0631 -3.0631 -3.0508 -3.0508 -3.0367 -3.0367 -0.5483 -0.5483 -0.5473 -0.5473 0.3217 0.3217 0.3450 0.3450 0.4896 0.4896 0.4896 0.4896 1.0003 1.0003 1.0144 1.0144 1.1692 1.1692 1.2515 1.2515 1.4781 1.4781 1.5272 1.5272 1.6673 1.6673 1.7483 1.7483 2.2653 2.2653 2.2699 2.2699 2.5545 2.5545 2.5734 2.5734 2.6413 2.6413 2.6455 2.6455 3.7339 3.7339 3.7384 3.7384 7.9973 7.9973 8.0118 8.0118 8.2646 8.2646 8.2715 8.2715 10.0087 10.0087 10.0357 10.0357 10.0885 10.0885 k = 0.4000 0.5000-0.0000 ( 23606 PWs) bands (ev): -15.6215 -15.6215 -15.6215 -15.6215 -10.3783 -10.3783 -10.3781 -10.3781 -9.8272 -9.8272 -9.8271 -9.8271 -4.4526 -4.4526 -4.4475 -4.4475 -3.0702 -3.0702 -3.0676 -3.0676 -3.0523 -3.0523 -3.0403 -3.0403 -0.5633 -0.5633 -0.5623 -0.5623 0.3293 0.3293 0.3496 0.3496 0.4891 0.4891 0.4898 0.4898 1.0039 1.0039 1.0153 1.0153 1.1722 1.1722 1.2432 1.2432 1.4904 1.4904 1.5374 1.5374 1.6693 1.6693 1.7427 1.7427 2.2688 2.2688 2.2725 2.2725 2.5489 2.5489 2.5711 2.5711 2.6342 2.6342 2.6422 2.6422 3.7604 3.7604 3.7641 3.7641 7.9975 7.9975 8.0102 8.0102 8.2456 8.2456 8.2517 8.2517 10.0358 10.0358 10.0581 10.0581 10.1400 10.1400 k = 0.4167 0.5000-0.0000 ( 23620 PWs) bands (ev): -15.6213 -15.6213 -15.6213 -15.6213 -10.3774 -10.3774 -10.3772 -10.3772 -9.8268 -9.8268 -9.8267 -9.8267 -4.4540 -4.4540 -4.4496 -4.4496 -3.0735 -3.0735 -3.0715 -3.0715 -3.0535 -3.0535 -3.0436 -3.0436 -0.5761 -0.5761 -0.5750 -0.5750 0.3363 0.3363 0.3534 0.3534 0.4888 0.4888 0.4898 0.4898 1.0066 1.0066 1.0152 1.0152 1.1758 1.1758 1.2349 1.2349 1.5022 1.5022 1.5452 1.5452 1.6731 1.6731 1.7373 1.7373 2.2718 2.2718 2.2747 2.2747 2.5434 2.5434 2.5658 2.5658 2.6307 2.6307 2.6400 2.6400 3.7833 3.7833 3.7862 3.7862 7.9968 7.9968 8.0075 8.0075 8.2301 8.2301 8.2353 8.2353 10.0593 10.0593 10.0776 10.0776 10.1922 10.1922 k = 0.4333 0.5000-0.0000 ( 23612 PWs) bands (ev): -15.6212 -15.6212 -15.6212 -15.6212 -10.3766 -10.3766 -10.3765 -10.3765 -9.8264 -9.8264 -9.8264 -9.8264 -4.4551 -4.4551 -4.4515 -4.4515 -3.0762 -3.0762 -3.0748 -3.0748 -3.0543 -3.0543 -3.0464 -3.0464 -0.5865 -0.5865 -0.5856 -0.5856 0.3426 0.3426 0.3564 0.3564 0.4885 0.4885 0.4897 0.4897 1.0085 1.0085 1.0147 1.0147 1.1799 1.1799 1.2269 1.2269 1.5131 1.5131 1.5503 1.5503 1.6785 1.6785 1.7320 1.7320 2.2743 2.2743 2.2766 2.2766 2.5387 2.5387 2.5588 2.5588 2.6297 2.6297 2.6385 2.6385 3.8024 3.8024 3.8047 3.8047 7.9957 7.9957 8.0043 8.0043 8.2180 8.2180 8.2223 8.2223 10.0792 10.0792 10.0939 10.0939 10.2419 10.2423 k = 0.4500 0.5000-0.0000 ( 23608 PWs) bands (ev): -15.6211 -15.6211 -15.6211 -15.6211 -10.3760 -10.3760 -10.3759 -10.3759 -9.8262 -9.8262 -9.8262 -9.8262 -4.4558 -4.4558 -4.4531 -4.4531 -3.0783 -3.0783 -3.0774 -3.0774 -3.0547 -3.0547 -3.0488 -3.0488 -0.5946 -0.5946 -0.5939 -0.5939 0.3480 0.3480 0.3584 0.3584 0.4883 0.4883 0.4894 0.4894 1.0097 1.0097 1.0138 1.0138 1.1844 1.1844 1.2194 1.2194 1.5231 1.5231 1.5526 1.5526 1.6851 1.6851 1.7265 1.7265 2.2764 2.2764 2.2780 2.2780 2.5352 2.5352 2.5514 2.5514 2.6303 2.6303 2.6374 2.6374 3.8175 3.8175 3.8191 3.8191 7.9945 7.9945 8.0010 8.0010 8.2090 8.2090 8.2123 8.2123 10.0954 10.0954 10.1066 10.1066 10.2885 10.2885 k = 0.4667 0.5000-0.0000 ( 23618 PWs) bands (ev): -15.6211 -15.6211 -15.6211 -15.6211 -10.3756 -10.3756 -10.3755 -10.3755 -9.8260 -9.8260 -9.8260 -9.8260 -4.4562 -4.4562 -4.4544 -4.4544 -3.0799 -3.0799 -3.0793 -3.0793 -3.0547 -3.0547 -3.0508 -3.0508 -0.6004 -0.6004 -0.5999 -0.5999 0.3525 0.3525 0.3594 0.3594 0.4883 0.4883 0.4892 0.4892 1.0105 1.0105 1.0130 1.0130 1.1893 1.1893 1.2124 1.2124 1.5320 1.5320 1.5524 1.5524 1.6924 1.6924 1.7206 1.7206 2.2780 2.2780 2.2790 2.2790 2.5334 2.5334 2.5446 2.5446 2.6315 2.6315 2.6364 2.6364 3.8285 3.8285 3.8295 3.8295 7.9936 7.9936 7.9980 7.9980 8.2031 8.2031 8.2053 8.2053 10.1078 10.1078 10.1153 10.1153 10.3333 10.3333 k = 0.4833 0.5000-0.0000 ( 23608 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3753 -10.3753 -10.3753 -10.3753 -9.8259 -9.8259 -9.8259 -9.8259 -4.4563 -4.4563 -4.4553 -4.4553 -3.0808 -3.0808 -3.0805 -3.0805 -3.0543 -3.0543 -3.0524 -3.0524 -0.6039 -0.6039 -0.6036 -0.6036 0.3559 0.3559 0.3594 0.3594 0.4884 0.4884 0.4889 0.4889 1.0111 1.0111 1.0123 1.0123 1.1944 1.1944 1.2060 1.2060 1.5395 1.5395 1.5500 1.5500 1.7000 1.7000 1.7142 1.7142 2.2790 2.2790 2.2795 2.2795 2.5333 2.5333 2.5391 2.5391 2.6329 2.6329 2.6354 2.6354 3.8352 3.8352 3.8357 3.8357 7.9934 7.9934 7.9956 7.9956 8.1998 8.1998 8.2009 8.2009 10.1162 10.1162 10.1200 10.1200 10.3721 10.3721 k = 0.5000 0.5000-0.0000 ( 23624 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8258 -9.8258 -9.8258 -9.8258 -4.4560 -4.4560 -4.4560 -4.4560 -3.0810 -3.0810 -3.0810 -3.0810 -3.0536 -3.0536 -3.0536 -3.0536 -0.6049 -0.6049 -0.6049 -0.6049 0.3582 0.3582 0.3582 0.3582 0.4886 0.4886 0.4886 0.4886 1.0117 1.0117 1.0117 1.0117 1.2000 1.2000 1.2000 1.2000 1.5456 1.5456 1.5456 1.5456 1.7073 1.7073 1.7073 1.7073 2.2795 2.2795 2.2795 2.2795 2.5352 2.5352 2.5352 2.5352 2.6342 2.6342 2.6342 2.6342 3.8376 3.8376 3.8376 3.8376 7.9940 7.9940 7.9940 7.9940 8.1991 8.1991 8.1991 8.1991 10.1202 10.1202 10.1202 10.1202 10.3930 10.3930 k = 0.5000 0.5000-0.0000 ( 23624 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8258 -9.8258 -9.8258 -9.8258 -4.4560 -4.4560 -4.4560 -4.4560 -3.0810 -3.0810 -3.0810 -3.0810 -3.0536 -3.0536 -3.0536 -3.0536 -0.6049 -0.6049 -0.6049 -0.6049 0.3582 0.3582 0.3582 0.3582 0.4886 0.4886 0.4886 0.4886 1.0117 1.0117 1.0117 1.0117 1.2000 1.2000 1.2000 1.2000 1.5456 1.5456 1.5456 1.5456 1.7073 1.7073 1.7073 1.7073 2.2795 2.2795 2.2795 2.2795 2.5352 2.5352 2.5352 2.5352 2.6342 2.6342 2.6342 2.6342 3.8376 3.8376 3.8376 3.8376 7.9940 7.9940 7.9940 7.9940 8.1991 8.1991 8.1991 8.1991 10.1202 10.1202 10.1202 10.1202 10.3930 10.3930 k = 0.4881 0.4881-0.0000 ( 23612 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3756 -10.3756 -10.3749 -10.3749 -9.8259 -9.8259 -9.8259 -9.8259 -4.4563 -4.4563 -4.4553 -4.4553 -3.0808 -3.0808 -3.0805 -3.0805 -3.0543 -3.0543 -3.0524 -3.0524 -0.6045 -0.6045 -0.6029 -0.6029 0.3559 0.3559 0.3594 0.3594 0.4884 0.4884 0.4889 0.4889 1.0111 1.0111 1.0124 1.0124 1.1944 1.1944 1.2060 1.2060 1.5393 1.5393 1.5501 1.5501 1.6999 1.6999 1.7142 1.7142 2.2790 2.2790 2.2795 2.2795 2.5332 2.5332 2.5392 2.5392 2.6327 2.6327 2.6355 2.6355 3.8338 3.8338 3.8370 3.8370 7.9910 7.9910 7.9979 7.9979 8.1996 8.1996 8.2012 8.2012 10.1130 10.1130 10.1230 10.1230 10.3690 10.3690 k = 0.4762 0.4762-0.0000 ( 23620 PWs) bands (ev): -15.6211 -15.6211 -15.6210 -15.6210 -10.3769 -10.3769 -10.3742 -10.3742 -9.8261 -9.8261 -9.8259 -9.8259 -4.4562 -4.4562 -4.4544 -4.4544 -3.0800 -3.0800 -3.0791 -3.0791 -3.0547 -3.0547 -3.0507 -3.0507 -0.6033 -0.6033 -0.5969 -0.5969 0.3524 0.3524 0.3594 0.3594 0.4882 0.4882 0.4893 0.4893 1.0100 1.0100 1.0136 1.0136 1.1892 1.1892 1.2125 1.2125 1.5309 1.5309 1.5534 1.5534 1.6924 1.6924 1.7204 1.7204 2.2779 2.2779 2.2790 2.2790 2.5324 2.5324 2.5456 2.5456 2.6306 2.6306 2.6373 2.6373 3.8226 3.8226 3.8351 3.8351 7.9828 7.9828 8.0091 8.0091 8.2015 8.2015 8.2067 8.2067 10.0925 10.0925 10.1296 10.1296 10.3273 10.3273 k = 0.4643 0.4643-0.0000 ( 23606 PWs) bands (ev): -15.6212 -15.6212 -15.6211 -15.6211 -10.3791 -10.3791 -10.3729 -10.3729 -9.8263 -9.8263 -9.8260 -9.8260 -4.4558 -4.4558 -4.4531 -4.4531 -3.0787 -3.0787 -3.0769 -3.0769 -3.0547 -3.0547 -3.0487 -3.0487 -0.6013 -0.6013 -0.5868 -0.5868 0.3478 0.3478 0.3584 0.3584 0.4880 0.4880 0.4898 0.4898 1.0085 1.0085 1.0154 1.0154 1.1844 1.1844 1.2194 1.2194 1.5201 1.5201 1.5559 1.5559 1.6852 1.6852 1.7258 1.7258 2.2762 2.2762 2.2782 2.2782 2.5325 2.5325 2.5543 2.5543 2.6277 2.6277 2.6403 2.6403 3.8041 3.8041 3.8320 3.8320 7.9695 7.9695 8.0274 8.0274 8.2045 8.2045 8.2157 8.2157 10.0597 10.0597 10.1380 10.1380 10.2852 10.2852 k = 0.4524 0.4524-0.0000 ( 23600 PWs) bands (ev): -15.6213 -15.6213 -15.6211 -15.6211 -10.3821 -10.3821 -10.3711 -10.3711 -9.8267 -9.8267 -9.8262 -9.8262 -4.4550 -4.4550 -4.4515 -4.4515 -3.0769 -3.0769 -3.0739 -3.0739 -3.0544 -3.0544 -3.0462 -3.0462 -0.5985 -0.5985 -0.5729 -0.5729 0.3420 0.3420 0.3563 0.3563 0.4877 0.4877 0.4904 0.4904 1.0063 1.0063 1.0177 1.0177 1.1799 1.1799 1.2268 1.2268 1.5067 1.5067 1.5579 1.5579 1.6785 1.6785 1.7301 1.7301 2.2741 2.2741 2.2770 2.2770 2.5329 2.5329 2.5643 2.5643 2.6240 2.6240 2.6453 2.6453 3.7788 3.7788 3.8277 3.8277 7.9515 7.9515 8.0523 8.0523 8.2082 8.2082 8.2278 8.2278 10.0170 10.0170 10.1420 10.1420 10.2450 10.2450 k = 0.4405 0.4405-0.0000 ( 23608 PWs) bands (ev): -15.6215 -15.6215 -15.6212 -15.6212 -10.3859 -10.3859 -10.3688 -10.3688 -9.8272 -9.8272 -9.8263 -9.8263 -4.4539 -4.4539 -4.4497 -4.4497 -3.0747 -3.0747 -3.0700 -3.0700 -3.0536 -3.0536 -3.0432 -3.0432 -0.5949 -0.5949 -0.5550 -0.5550 0.3352 0.3352 0.3534 0.3534 0.4874 0.4874 0.4912 0.4912 1.0037 1.0037 1.0204 1.0204 1.1758 1.1758 1.2345 1.2345 1.4910 1.4910 1.5598 1.5598 1.6726 1.6726 1.7335 1.7335 2.2715 2.2715 2.2755 2.2755 2.5336 2.5336 2.5743 2.5743 2.6198 2.6198 2.6535 2.6535 3.7471 3.7471 3.8222 3.8222 7.9290 7.9290 8.0834 8.0834 8.2123 8.2123 8.2430 8.2430 9.9677 9.9677 10.1289 10.1289 10.2053 10.2053 k = 0.4286 0.4286-0.0000 ( 23612 PWs) bands (ev): -15.6217 -15.6217 -15.6213 -15.6213 -10.3904 -10.3904 -10.3660 -10.3660 -9.8277 -9.8277 -9.8265 -9.8265 -4.4525 -4.4525 -4.4476 -4.4476 -3.0722 -3.0722 -3.0654 -3.0654 -3.0526 -3.0526 -3.0398 -3.0398 -0.5905 -0.5905 -0.5333 -0.5333 0.3274 0.3274 0.3497 0.3497 0.4869 0.4869 0.4919 0.4919 1.0006 1.0006 1.0232 1.0232 1.1719 1.1719 1.2423 1.2423 1.4733 1.4733 1.5618 1.5618 1.6675 1.6675 1.7358 1.7358 2.2688 2.2688 2.2737 2.2737 2.5343 2.5343 2.5821 2.5821 2.6158 2.6158 2.6662 2.6662 3.7098 3.7098 3.8155 3.8155 7.9024 7.9024 8.1196 8.1196 8.2161 8.2161 8.2613 8.2613 9.9147 9.9147 10.0921 10.0921 10.1652 10.1652 k = 0.4167 0.4167-0.0000 ( 23618 PWs) bands (ev): -15.6220 -15.6220 -15.6214 -15.6214 -10.3958 -10.3958 -10.3628 -10.3628 -9.8284 -9.8284 -9.8267 -9.8267 -4.4507 -4.4507 -4.4452 -4.4452 -3.0694 -3.0694 -3.0601 -3.0601 -3.0511 -3.0511 -3.0360 -3.0360 -0.5854 -0.5854 -0.5080 -0.5080 0.3184 0.3184 0.3454 0.3454 0.4863 0.4863 0.4928 0.4928 0.9971 0.9971 1.0259 1.0259 1.1683 1.1683 1.2500 1.2500 1.4545 1.4545 1.5641 1.5641 1.6633 1.6633 1.7372 1.7372 2.2660 2.2660 2.2718 2.2718 2.5351 2.5351 2.5864 2.5864 2.6126 2.6126 2.6839 2.6839 3.6675 3.6675 3.8077 3.8077 7.8718 7.8718 8.1596 8.1596 8.2197 8.2197 8.2828 8.2828 9.8600 9.8600 10.0403 10.0403 10.1236 10.1236 k = 0.4048 0.4048-0.0000 ( 23610 PWs) bands (ev): -15.6223 -15.6223 -15.6215 -15.6215 -10.4019 -10.4019 -10.3591 -10.3591 -9.8291 -9.8291 -9.8270 -9.8270 -4.4487 -4.4487 -4.4428 -4.4428 -3.0664 -3.0664 -3.0541 -3.0541 -3.0494 -3.0494 -3.0317 -3.0317 -0.5795 -0.5795 -0.4790 -0.4790 0.3084 0.3084 0.3406 0.3406 0.4856 0.4856 0.4936 0.4936 0.9933 0.9933 1.0283 1.0283 1.1649 1.1649 1.2571 1.2571 1.4355 1.4355 1.5668 1.5668 1.6600 1.6600 1.7377 1.7377 2.2635 2.2635 2.2696 2.2696 2.5357 2.5357 2.5867 2.5867 2.6109 2.6109 2.7061 2.7061 3.6209 3.6209 3.7988 3.7988 7.8373 7.8373 8.1960 8.1960 8.2287 8.2287 8.3075 8.3075 9.8048 9.8048 9.9819 9.9819 10.0799 10.0799 k = 0.3929 0.3929-0.0000 ( 23604 PWs) bands (ev): -15.6226 -15.6226 -15.6216 -15.6216 -10.4086 -10.4086 -10.3549 -10.3549 -9.8299 -9.8299 -9.8272 -9.8272 -4.4464 -4.4464 -4.4401 -4.4401 -3.0633 -3.0633 -3.0476 -3.0476 -3.0473 -3.0473 -3.0271 -3.0271 -0.5729 -0.5729 -0.4465 -0.4465 0.2974 0.2974 0.3356 0.3356 0.4847 0.4847 0.4944 0.4944 0.9890 0.9890 1.0302 1.0302 1.1616 1.1616 1.2630 1.2630 1.4173 1.4173 1.5702 1.5702 1.6576 1.6576 1.7373 1.7373 2.2613 2.2613 2.2673 2.2673 2.5361 2.5361 2.5841 2.5841 2.6105 2.6105 2.7319 2.7319 3.5708 3.5708 3.7888 3.7888 7.7990 7.7990 8.2051 8.2051 8.2649 8.2649 8.3356 8.3356 9.7498 9.7498 9.9212 9.9212 10.0342 10.0342 k = 0.3810 0.3810-0.0000 ( 23586 PWs) bands (ev): -15.6230 -15.6230 -15.6218 -15.6218 -10.4160 -10.4160 -10.3503 -10.3503 -9.8307 -9.8307 -9.8274 -9.8274 -4.4440 -4.4440 -4.4374 -4.4374 -3.0601 -3.0601 -3.0450 -3.0450 -3.0406 -3.0406 -3.0220 -3.0220 -0.5657 -0.5657 -0.4108 -0.4108 0.2853 0.2853 0.3305 0.3305 0.4835 0.4835 0.4951 0.4951 0.9843 0.9843 1.0315 1.0315 1.1585 1.1585 1.2667 1.2667 1.4015 1.4015 1.5741 1.5741 1.6563 1.6563 1.7361 1.7361 2.2597 2.2597 2.2650 2.2650 2.5362 2.5362 2.5802 2.5802 2.6107 2.6107 2.7602 2.7602 3.5180 3.5180 3.7778 3.7778 7.7570 7.7570 8.1983 8.1983 8.3148 8.3148 8.3670 8.3670 9.6955 9.6955 9.8611 9.8611 9.9870 9.9870 k = 0.3690 0.3690-0.0000 ( 23602 PWs) bands (ev): -15.6233 -15.6233 -15.6219 -15.6219 -10.4239 -10.4239 -10.3454 -10.3454 -9.8316 -9.8316 -9.8276 -9.8276 -4.4413 -4.4413 -4.4345 -4.4345 -3.0569 -3.0569 -3.0423 -3.0423 -3.0333 -3.0333 -3.0166 -3.0166 -0.5578 -0.5578 -0.3719 -0.3719 0.2722 0.2722 0.3254 0.3254 0.4822 0.4822 0.4958 0.4958 0.9791 0.9791 1.0322 1.0322 1.1554 1.1554 1.2670 1.2670 1.3896 1.3896 1.5787 1.5787 1.6562 1.6562 1.7343 1.7343 2.2588 2.2588 2.2626 2.2626 2.5360 2.5360 2.5759 2.5759 2.6111 2.6111 2.7903 2.7903 3.4631 3.4631 3.7658 3.7658 7.7113 7.7113 8.1838 8.1838 8.3686 8.3686 8.4017 8.4017 9.6419 9.6419 9.8036 9.8036 9.9389 9.9389 k = 0.3571 0.3571-0.0000 ( 23592 PWs) bands (ev): -15.6238 -15.6238 -15.6221 -15.6221 -10.4324 -10.4324 -10.3401 -10.3401 -9.8325 -9.8325 -9.8278 -9.8278 -4.4385 -4.4385 -4.4316 -4.4316 -3.0537 -3.0537 -3.0394 -3.0394 -3.0258 -3.0258 -3.0109 -3.0109 -0.5493 -0.5493 -0.3302 -0.3302 0.2580 0.2580 0.3205 0.3205 0.4807 0.4807 0.4965 0.4965 0.9731 0.9731 1.0324 1.0324 1.1522 1.1522 1.2636 1.2636 1.3827 1.3827 1.5837 1.5837 1.6578 1.6578 1.7320 1.7320 2.2587 2.2587 2.2605 2.2605 2.5355 2.5355 2.5719 2.5719 2.6118 2.6118 2.8216 2.8216 3.4070 3.4070 3.7529 3.7529 7.6619 7.6619 8.1613 8.1613 8.4243 8.4243 8.4395 8.4395 9.5894 9.5894 9.7509 9.7509 9.8902 9.8902 k = 0.3452 0.3452-0.0000 ( 23574 PWs) bands (ev): -15.6242 -15.6242 -15.6223 -15.6223 -10.4414 -10.4414 -10.3344 -10.3344 -9.8334 -9.8334 -9.8279 -9.8279 -4.4356 -4.4356 -4.4287 -4.4287 -3.0506 -3.0506 -3.0362 -3.0362 -3.0182 -3.0182 -3.0050 -3.0050 -0.5402 -0.5402 -0.2858 -0.2858 0.2429 0.2429 0.3159 0.3159 0.4789 0.4789 0.4970 0.4970 0.9659 0.9659 1.0325 1.0325 1.1486 1.1486 1.2570 1.2570 1.3807 1.3807 1.5888 1.5888 1.6612 1.6612 1.7295 1.7295 2.2576 2.2576 2.2604 2.2604 2.5346 2.5346 2.5682 2.5682 2.6128 2.6128 2.8536 2.8536 3.3504 3.3504 3.7391 3.7391 7.6090 7.6090 8.1302 8.1302 8.4785 8.4785 8.4828 8.4828 9.5379 9.5379 9.7042 9.7042 9.8390 9.8390 k = 0.3333 0.3333-0.0000 ( 23570 PWs) bands (ev): -15.6247 -15.6247 -15.6225 -15.6225 -10.4508 -10.4508 -10.3284 -10.3284 -9.8343 -9.8343 -9.8280 -9.8280 -4.4327 -4.4327 -4.4258 -4.4258 -3.0476 -3.0476 -3.0329 -3.0329 -3.0107 -3.0107 -2.9987 -2.9987 -0.5306 -0.5306 -0.2391 -0.2391 0.2270 0.2270 0.3116 0.3116 0.4767 0.4767 0.4975 0.4975 0.9571 0.9571 1.0328 1.0328 1.1444 1.1444 1.2488 1.2488 1.3824 1.3824 1.5935 1.5935 1.6666 1.6666 1.7273 1.7273 2.2554 2.2554 2.2626 2.2626 2.5336 2.5336 2.5650 2.5650 2.6143 2.6143 2.8861 2.8861 3.2939 3.2939 3.7244 3.7244 7.5526 7.5526 8.0897 8.0897 8.5217 8.5217 8.5398 8.5398 9.4877 9.4877 9.6648 9.6648 9.7675 9.7675 k = 0.3214 0.3214-0.0000 ( 23560 PWs) bands (ev): -15.6252 -15.6252 -15.6227 -15.6227 -10.4605 -10.4605 -10.3221 -10.3221 -9.8352 -9.8352 -9.8280 -9.8280 -4.4297 -4.4297 -4.4229 -4.4229 -3.0446 -3.0446 -3.0294 -3.0294 -3.0036 -3.0036 -2.9921 -2.9921 -0.5206 -0.5206 -0.1905 -0.1905 0.2102 0.2102 0.3078 0.3078 0.4743 0.4743 0.4980 0.4980 0.9464 0.9464 1.0338 1.0338 1.1395 1.1395 1.2408 1.2408 1.3866 1.3866 1.5976 1.5976 1.6732 1.6732 1.7268 1.7268 2.2531 2.2531 2.2662 2.2662 2.5324 2.5324 2.5621 2.5621 2.6165 2.6165 2.9186 2.9186 3.2381 3.2381 3.7089 3.7089 7.4927 7.4927 8.0396 8.0396 8.5650 8.5650 8.5979 8.5979 9.4390 9.4390 9.6328 9.6328 9.6718 9.6718 k = 0.3095 0.3095-0.0000 ( 23560 PWs) bands (ev): -15.6257 -15.6257 -15.6229 -15.6229 -10.4705 -10.4705 -10.3156 -10.3156 -9.8361 -9.8361 -9.8279 -9.8279 -4.4268 -4.4268 -4.4200 -4.4200 -3.0417 -3.0417 -3.0259 -3.0259 -2.9970 -2.9970 -2.9853 -2.9853 -0.5101 -0.5101 -0.1403 -0.1403 0.1929 0.1929 0.3045 0.3045 0.4715 0.4715 0.4984 0.4984 0.9335 0.9335 1.0360 1.0360 1.1337 1.1337 1.2342 1.2342 1.3925 1.3925 1.6011 1.6011 1.6788 1.6788 1.7301 1.7301 2.2506 2.2506 2.2710 2.2710 2.5312 2.5312 2.5595 2.5595 2.6196 2.6196 2.9511 2.9511 3.1838 3.1838 3.6926 3.6926 7.4296 7.4296 7.9803 7.9803 8.6076 8.6076 8.6560 8.6560 9.3923 9.3923 9.5710 9.5710 9.6097 9.6097 k = 0.2976 0.2976-0.0000 ( 23572 PWs) bands (ev): -15.6263 -15.6263 -15.6232 -15.6232 -10.4808 -10.4808 -10.3089 -10.3089 -9.8370 -9.8370 -9.8278 -9.8278 -4.4240 -4.4240 -4.4172 -4.4172 -3.0389 -3.0389 -3.0223 -3.0223 -2.9909 -2.9909 -2.9782 -2.9782 -0.4993 -0.4993 -0.0892 -0.0892 0.1754 0.1754 0.3018 0.3018 0.4682 0.4682 0.4987 0.4987 0.9184 0.9184 1.0397 1.0397 1.1271 1.1271 1.2296 1.2296 1.3996 1.3996 1.6042 1.6042 1.6810 1.6810 1.7397 1.7397 2.2477 2.2477 2.2773 2.2773 2.5301 2.5301 2.5571 2.5571 2.6238 2.6238 2.9831 2.9831 3.1315 3.1315 3.6756 3.6756 7.3632 7.3632 7.9126 7.9126 8.6474 8.6474 8.7135 8.7135 9.3482 9.3482 9.4730 9.4730 9.5916 9.5916 k = 0.2857 0.2857-0.0000 ( 23574 PWs) bands (ev): -15.6268 -15.6268 -15.6234 -15.6234 -10.4912 -10.4912 -10.3020 -10.3020 -9.8378 -9.8378 -9.8276 -9.8276 -4.4214 -4.4214 -4.4144 -4.4144 -3.0361 -3.0361 -3.0187 -3.0187 -2.9855 -2.9855 -2.9710 -2.9710 -0.4882 -0.4882 -0.0381 -0.0381 0.1582 0.1582 0.2997 0.2997 0.4645 0.4645 0.4990 0.4990 0.9014 0.9014 1.0450 1.0450 1.1198 1.1198 1.2273 1.2273 1.4076 1.4076 1.6072 1.6072 1.6794 1.6794 1.7556 1.7556 2.2442 2.2442 2.2849 2.2849 2.5291 2.5291 2.5550 2.5550 2.6291 2.6291 3.0147 3.0147 3.0819 3.0819 3.6578 3.6578 7.2937 7.2937 7.8374 7.8374 8.6815 8.6815 8.7696 8.7696 9.3062 9.3062 9.3793 9.3793 9.5791 9.5791 k = 0.2738 0.2738-0.0000 ( 23592 PWs) bands (ev): -15.6274 -15.6274 -15.6237 -15.6237 -10.5018 -10.5018 -10.2949 -10.2949 -9.8385 -9.8385 -9.8274 -9.8274 -4.4189 -4.4189 -4.4117 -4.4117 -3.0334 -3.0334 -3.0152 -3.0152 -2.9805 -2.9805 -2.9640 -2.9640 -0.4768 -0.4768 0.0106 0.0106 0.1433 0.1433 0.2982 0.2982 0.4603 0.4603 0.4993 0.4993 0.8829 0.8829 1.0517 1.0517 1.1122 1.1122 1.2271 1.2271 1.4167 1.4167 1.6104 1.6104 1.6755 1.6755 1.7761 1.7761 2.2399 2.2399 2.2938 2.2938 2.5283 2.5283 2.5532 2.5532 2.6357 2.6357 3.0350 3.0350 3.0459 3.0459 3.6394 3.6394 7.2213 7.2213 7.7561 7.7561 8.7060 8.7060 8.8228 8.8228 9.2566 9.2566 9.3040 9.3040 9.5704 9.5704 k = 0.2619 0.2619-0.0000 ( 23592 PWs) bands (ev): -15.6280 -15.6280 -15.6239 -15.6239 -10.5124 -10.5124 -10.2877 -10.2877 -9.8392 -9.8392 -9.8270 -9.8270 -4.4167 -4.4167 -4.4090 -4.4090 -3.0308 -3.0308 -3.0117 -3.0117 -2.9761 -2.9761 -2.9573 -2.9573 -0.4651 -0.4651 0.0497 0.0497 0.1376 0.1376 0.2975 0.2975 0.4556 0.4556 0.4995 0.4995 0.8633 0.8633 1.0592 1.0592 1.1048 1.1048 1.2289 1.2289 1.4268 1.4268 1.6142 1.6142 1.6706 1.6706 1.7996 1.7996 2.2343 2.2343 2.3040 2.3040 2.5276 2.5276 2.5520 2.5520 2.6437 2.6437 2.9923 2.9923 3.0758 3.0758 3.6204 3.6204 7.1460 7.1460 7.6701 7.6701 8.7172 8.7172 8.8691 8.8691 9.1851 9.1851 9.2670 9.2670 9.5640 9.5640 k = 0.2500 0.2500-0.0000 ( 23600 PWs) bands (ev): -15.6286 -15.6286 -15.6242 -15.6242 -10.5230 -10.5230 -10.2805 -10.2805 -9.8399 -9.8399 -9.8266 -9.8266 -4.4146 -4.4146 -4.4064 -4.4064 -3.0283 -3.0283 -3.0084 -3.0084 -2.9722 -2.9722 -2.9510 -2.9510 -0.4533 -0.4533 0.0621 0.0621 0.1578 0.1578 0.2974 0.2974 0.4503 0.4503 0.4997 0.4997 0.8433 0.8433 1.0655 1.0655 1.0997 1.0997 1.2324 1.2324 1.4381 1.4381 1.6184 1.6184 1.6657 1.6657 1.8253 1.8253 2.2271 2.2271 2.3153 2.3153 2.5271 2.5271 2.5516 2.5516 2.6530 2.6530 2.9535 2.9535 3.1049 3.1049 3.6007 3.6007 7.0682 7.0682 7.5806 7.5806 8.7126 8.7126 8.8968 8.8968 9.1238 9.1238 9.2481 9.2481 9.5579 9.5579 k = 0.2381 0.2381-0.0000 ( 23612 PWs) bands (ev): -15.6292 -15.6292 -15.6244 -15.6244 -10.5336 -10.5336 -10.2732 -10.2732 -9.8405 -9.8405 -9.8261 -9.8261 -4.4128 -4.4128 -4.4040 -4.4040 -3.0259 -3.0259 -3.0051 -3.0051 -2.9688 -2.9688 -2.9451 -2.9451 -0.4413 -0.4413 0.0519 0.0519 0.1993 0.1993 0.2982 0.2982 0.4444 0.4444 0.4999 0.4999 0.8232 0.8232 1.0659 1.0659 1.1013 1.1013 1.2374 1.2374 1.4508 1.4508 1.6229 1.6229 1.6620 1.6620 1.8525 1.8525 2.2181 2.2181 2.3276 2.3276 2.5267 2.5267 2.5523 2.5523 2.6637 2.6637 2.9192 2.9192 3.1331 3.1331 3.5805 3.5805 6.9879 6.9879 7.4890 7.4890 8.6919 8.6919 8.8819 8.8819 9.1055 9.1055 9.2371 9.2371 9.5488 9.5488 k = 0.2262 0.2262-0.0000 ( 23630 PWs) bands (ev): -15.6298 -15.6298 -15.6247 -15.6247 -10.5440 -10.5440 -10.2660 -10.2660 -9.8410 -9.8410 -9.8256 -9.8256 -4.4112 -4.4112 -4.4017 -4.4017 -3.0237 -3.0237 -3.0021 -3.0021 -2.9659 -2.9659 -2.9398 -2.9398 -0.4292 -0.4292 0.0346 0.0346 0.2459 0.2459 0.2997 0.2997 0.4380 0.4380 0.5001 0.5001 0.8035 0.8035 1.0591 1.0591 1.1106 1.1106 1.2437 1.2437 1.4648 1.4648 1.6263 1.6263 1.6613 1.6613 1.8807 1.8807 2.2070 2.2070 2.3406 2.3406 2.5267 2.5267 2.5540 2.5540 2.6760 2.6760 2.8895 2.8895 3.1601 3.1601 3.5597 3.5597 6.9054 6.9054 7.3962 7.3962 8.6573 8.6573 8.8248 8.8248 9.1313 9.1313 9.2298 9.2298 9.5337 9.5337 k = 0.2143 0.2143-0.0000 ( 23642 PWs) bands (ev): -15.6304 -15.6304 -15.6250 -15.6250 -10.5543 -10.5543 -10.2588 -10.2588 -9.8414 -9.8414 -9.8249 -9.8249 -4.4098 -4.4098 -4.3996 -4.3996 -3.0216 -3.0216 -2.9992 -2.9992 -2.9634 -2.9634 -2.9350 -2.9350 -0.4169 -0.4169 0.0151 0.0151 0.2904 0.2904 0.3039 0.3039 0.4315 0.4315 0.5002 0.5002 0.7846 0.7846 1.0487 1.0487 1.1239 1.1239 1.2510 1.2510 1.4802 1.4802 1.6267 1.6267 1.6660 1.6660 1.9094 1.9094 2.1938 2.1938 2.3541 2.3541 2.5272 2.5272 2.5571 2.5571 2.6897 2.6897 2.8646 2.8646 3.1859 3.1859 3.5385 3.5385 6.8210 6.8210 7.3034 7.3034 8.6118 8.6118 8.7512 8.7512 9.1761 9.1761 9.2235 9.2235 9.5110 9.5110 k = 0.2024 0.2024-0.0000 ( 23630 PWs) bands (ev): -15.6310 -15.6310 -15.6253 -15.6253 -10.5643 -10.5643 -10.2517 -10.2517 -9.8418 -9.8418 -9.8242 -9.8242 -4.4086 -4.4086 -4.3977 -4.3977 -3.0196 -3.0196 -2.9965 -2.9965 -2.9613 -2.9613 -2.9308 -2.9308 -0.4046 -0.4046 -0.0052 -0.0052 0.3032 0.3032 0.3371 0.3371 0.4259 0.4259 0.5004 0.5004 0.7669 0.7669 1.0366 1.0366 1.1388 1.1388 1.2593 1.2593 1.4970 1.4970 1.6243 1.6243 1.6767 1.6767 1.9385 1.9385 2.1784 2.1784 2.3675 2.3675 2.5288 2.5288 2.5615 2.5615 2.7048 2.7048 2.8445 2.8445 3.2104 3.2104 3.5168 3.5168 6.7350 6.7350 7.2112 7.2112 8.5585 8.5585 8.6738 8.6738 9.2164 9.2164 9.2284 9.2284 9.4803 9.4803 k = 0.1905 0.1905-0.0000 ( 23638 PWs) bands (ev): -15.6316 -15.6316 -15.6255 -15.6255 -10.5740 -10.5740 -10.2448 -10.2448 -9.8420 -9.8420 -9.8235 -9.8235 -4.4076 -4.4076 -4.3959 -4.3959 -3.0178 -3.0178 -2.9940 -2.9940 -2.9597 -2.9597 -2.9272 -2.9272 -0.3922 -0.3922 -0.0256 -0.0256 0.3070 0.3070 0.3707 0.3707 0.4261 0.4261 0.5005 0.5005 0.7508 0.7508 1.0236 1.0236 1.1543 1.1543 1.2682 1.2682 1.5149 1.5149 1.6204 1.6204 1.6923 1.6923 1.9674 1.9674 2.1613 2.1613 2.3803 2.3803 2.5314 2.5314 2.5675 2.5675 2.7212 2.7212 2.8291 2.8291 3.2335 3.2335 3.4947 3.4947 6.6477 6.6477 7.1207 7.1207 8.4996 8.4996 8.5969 8.5969 9.2107 9.2107 9.2818 9.2818 9.4362 9.4362 k = 0.1786 0.1786-0.0000 ( 23638 PWs) bands (ev): -15.6321 -15.6321 -15.6258 -15.6258 -10.5834 -10.5834 -10.2380 -10.2380 -9.8423 -9.8423 -9.8227 -9.8227 -4.4068 -4.4068 -4.3944 -4.3944 -3.0162 -3.0162 -2.9917 -2.9917 -2.9584 -2.9584 -2.9242 -2.9242 -0.3798 -0.3798 -0.0459 -0.0459 0.3112 0.3112 0.3825 0.3825 0.4443 0.4443 0.5008 0.5008 0.7365 0.7365 1.0099 1.0099 1.1696 1.1696 1.2777 1.2777 1.5336 1.5336 1.6161 1.6161 1.7119 1.7119 1.9956 1.9956 2.1430 2.1430 2.3921 2.3921 2.5353 2.5353 2.5754 2.5754 2.7385 2.7385 2.8187 2.8187 3.2550 3.2550 3.4725 3.4725 6.5596 6.5596 7.0323 7.0323 8.4372 8.4372 8.5223 8.5223 9.2048 9.2048 9.3358 9.3358 9.3691 9.3691 k = 0.1667 0.1667-0.0000 ( 23614 PWs) bands (ev): -15.6327 -15.6327 -15.6261 -15.6261 -10.5924 -10.5924 -10.2314 -10.2314 -9.8424 -9.8424 -9.8219 -9.8219 -4.4061 -4.4061 -4.3931 -4.3931 -3.0148 -3.0148 -2.9897 -2.9897 -2.9575 -2.9575 -2.9217 -2.9217 -0.3674 -0.3674 -0.0656 -0.0656 0.3160 0.3160 0.3777 0.3777 0.4742 0.4742 0.5013 0.5013 0.7246 0.7246 0.9959 0.9959 1.1841 1.1841 1.2877 1.2877 1.5530 1.5530 1.6122 1.6122 1.7350 1.7350 2.0220 2.0220 2.1249 2.1249 2.4021 2.4021 2.5402 2.5402 2.5858 2.5858 2.7553 2.7553 2.8141 2.8141 3.2748 3.2748 3.4503 3.4503 6.4710 6.4710 6.9467 6.9467 8.3725 8.3725 8.4508 8.4508 9.1995 9.1995 9.3058 9.3058 9.3490 9.3490 k = 0.1548 0.1548-0.0000 ( 23636 PWs) bands (ev): -15.6332 -15.6332 -15.6263 -15.6263 -10.6010 -10.6010 -10.2251 -10.2251 -9.8425 -9.8425 -9.8210 -9.8210 -4.4055 -4.4055 -4.3919 -4.3919 -3.0135 -3.0135 -2.9879 -2.9879 -2.9570 -2.9570 -2.9196 -2.9196 -0.3550 -0.3550 -0.0847 -0.0847 0.3212 0.3212 0.3680 0.3680 0.4978 0.4978 0.5077 0.5077 0.7156 0.7156 0.9819 0.9819 1.1972 1.1972 1.2982 1.2982 1.5719 1.5719 1.6097 1.6097 1.7611 1.7611 2.0431 2.0431 2.1108 2.1108 2.4103 2.4103 2.5458 2.5458 2.5989 2.5989 2.7689 2.7689 2.8175 2.8175 3.2923 3.2923 3.4285 3.4285 6.3826 6.3826 6.8645 6.8645 8.3068 8.3068 8.3829 8.3829 9.1938 9.1938 9.2487 9.2487 9.3010 9.3010 k = 0.1429 0.1429-0.0000 ( 23620 PWs) bands (ev): -15.6337 -15.6337 -15.6266 -15.6266 -10.6092 -10.6092 -10.2191 -10.2191 -9.8426 -9.8426 -9.8202 -9.8202 -4.4051 -4.4051 -4.3910 -4.3910 -3.0125 -3.0125 -2.9863 -2.9863 -2.9567 -2.9567 -2.9180 -2.9180 -0.3429 -0.3429 -0.1028 -0.1028 0.3268 0.3268 0.3565 0.3565 0.5002 0.5002 0.5313 0.5313 0.7101 0.7101 0.9680 0.9680 1.2087 1.2087 1.3091 1.3091 1.5872 1.5872 1.6117 1.6117 1.7894 1.7894 2.0486 2.0486 2.1112 2.1112 2.4164 2.4164 2.5515 2.5515 2.6152 2.6152 2.7764 2.7764 2.8313 2.8313 3.3068 3.3068 3.4081 3.4081 6.2949 6.2949 6.7862 6.7862 8.2412 8.2412 8.3190 8.3190 9.1765 9.1765 9.2092 9.2092 9.2518 9.2518 k = 0.1310 0.1310-0.0000 ( 23622 PWs) bands (ev): -15.6342 -15.6342 -15.6268 -15.6268 -10.6168 -10.6168 -10.2134 -10.2134 -9.8426 -9.8426 -9.8193 -9.8193 -4.4048 -4.4048 -4.3903 -4.3903 -3.0116 -3.0116 -2.9849 -2.9849 -2.9566 -2.9566 -2.9167 -2.9167 -0.3311 -0.3311 -0.1198 -0.1198 0.3323 0.3323 0.3447 0.3447 0.5006 0.5006 0.5511 0.5511 0.7087 0.7087 0.9546 0.9546 1.2182 1.2182 1.3203 1.3203 1.5924 1.5924 1.6246 1.6246 1.8192 1.8192 2.0361 2.0361 2.1290 2.1290 2.4207 2.4207 2.5569 2.5569 2.6344 2.6344 2.7799 2.7799 2.8526 2.8526 3.3158 3.3158 3.3916 3.3916 6.2085 6.2085 6.7123 6.7123 8.1766 8.1766 8.2594 8.2594 9.1336 9.1336 9.1996 9.1996 9.2054 9.2054 k = 0.1190 0.1190-0.0000 ( 23621 PWs) bands (ev): -15.6347 -15.6347 -15.6270 -15.6270 -10.6239 -10.6239 -10.2081 -10.2081 -9.8425 -9.8425 -9.8185 -9.8185 -4.4045 -4.4045 -4.3897 -4.3897 -3.0108 -3.0108 -2.9837 -2.9837 -2.9567 -2.9567 -2.9158 -2.9158 -0.3197 -0.3197 -0.1355 -0.1355 0.3292 0.3292 0.3413 0.3413 0.5009 0.5009 0.5648 0.5648 0.7117 0.7117 0.9419 0.9419 1.2259 1.2259 1.3316 1.3316 1.5919 1.5919 1.6440 1.6440 1.8494 1.8494 2.0170 2.0170 2.1530 2.1530 2.4234 2.4234 2.5620 2.5620 2.6561 2.6561 2.7824 2.7824 2.8777 2.8777 3.3152 3.3152 3.3833 3.3833 6.1243 6.1243 6.6431 6.6431 8.1139 8.1139 8.2043 8.2043 9.0888 9.0888 9.1565 9.1565 9.2025 9.2025 k = 0.1071 0.1071-0.0000 ( 23605 PWs) bands (ev): -15.6351 -15.6351 -15.6272 -15.6272 -10.6304 -10.6304 -10.2032 -10.2032 -9.8425 -9.8425 -9.8177 -9.8177 -4.4043 -4.4043 -4.3893 -4.3893 -3.0102 -3.0102 -2.9827 -2.9827 -2.9570 -2.9570 -2.9151 -2.9151 -0.3090 -0.3090 -0.1496 -0.1496 0.3168 0.3168 0.3473 0.3473 0.5012 0.5012 0.5726 0.5726 0.7182 0.7182 0.9302 0.9302 1.2318 1.2318 1.3427 1.3427 1.5905 1.5905 1.6647 1.6647 1.8791 1.8791 1.9961 1.9961 2.1785 2.1785 2.4246 2.4246 2.5666 2.5666 2.6796 2.6796 2.7849 2.7849 2.9047 2.9047 3.3036 3.3036 3.3848 3.3848 6.0431 6.0431 6.5791 6.5791 8.0540 8.0540 8.1540 8.1540 9.0475 9.0475 9.1128 9.1128 9.2057 9.2057 k = 0.0952 0.0952-0.0000 ( 23603 PWs) bands (ev): -15.6355 -15.6355 -15.6274 -15.6274 -10.6363 -10.6363 -10.1987 -10.1987 -9.8424 -9.8424 -9.8169 -9.8169 -4.4042 -4.4042 -4.3890 -4.3890 -3.0097 -3.0097 -2.9820 -2.9820 -2.9575 -2.9575 -2.9145 -2.9145 -0.2994 -0.2994 -0.1618 -0.1618 0.3040 0.3040 0.3541 0.3541 0.5014 0.5014 0.5759 0.5759 0.7269 0.7269 0.9198 0.9198 1.2362 1.2362 1.3533 1.3533 1.5891 1.5891 1.6857 1.6857 1.9074 1.9074 1.9751 1.9751 2.2040 2.2040 2.4247 2.4247 2.5708 2.5708 2.7045 2.7045 2.7877 2.7877 2.9323 2.9323 3.2859 3.2859 3.3916 3.3916 5.9658 5.9658 6.5207 6.5207 7.9977 7.9977 8.1085 8.1085 9.0104 9.0104 9.0723 9.0723 9.2105 9.2105 k = 0.0833 0.0833-0.0000 ( 23611 PWs) bands (ev): -15.6358 -15.6358 -15.6276 -15.6276 -10.6416 -10.6416 -10.1947 -10.1947 -9.8423 -9.8423 -9.8162 -9.8162 -4.4041 -4.4041 -4.3888 -4.3888 -3.0094 -3.0094 -2.9814 -2.9814 -2.9580 -2.9580 -2.9142 -2.9142 -0.2909 -0.2909 -0.1720 -0.1720 0.2915 0.2915 0.3608 0.3608 0.5017 0.5017 0.5762 0.5762 0.7360 0.7360 0.9110 0.9110 1.2394 1.2394 1.3632 1.3632 1.5881 1.5881 1.7064 1.7064 1.9334 1.9334 1.9546 1.9546 2.2290 2.2290 2.4237 2.4237 2.5745 2.5745 2.7301 2.7301 2.7906 2.7906 2.9591 2.9591 3.2662 3.2662 3.3999 3.3999 5.8935 5.8935 6.4683 6.4683 7.9459 7.9459 8.0680 8.0680 8.9778 8.9778 9.0356 9.0356 9.2164 9.2164 k = 0.0714 0.0714-0.0000 ( 23619 PWs) bands (ev): -15.6362 -15.6362 -15.6278 -15.6278 -10.6463 -10.6463 -10.1912 -10.1912 -9.8422 -9.8422 -9.8155 -9.8155 -4.4041 -4.4041 -4.3888 -4.3888 -3.0091 -3.0091 -2.9810 -2.9810 -2.9585 -2.9585 -2.9139 -2.9139 -0.2841 -0.2841 -0.1798 -0.1798 0.2798 0.2798 0.3674 0.3674 0.5020 0.5020 0.5747 0.5747 0.7442 0.7442 0.9041 0.9041 1.2416 1.2416 1.3722 1.3722 1.5874 1.5874 1.7265 1.7265 1.9348 1.9348 1.9566 1.9566 2.2530 2.2530 2.4216 2.4216 2.5778 2.5778 2.7558 2.7558 2.7936 2.7936 2.9839 2.9839 3.2470 3.2470 3.4080 3.4080 5.8274 5.8274 6.4221 6.4221 7.8992 7.8992 8.0327 8.0327 8.9496 8.9496 9.0032 9.0032 9.2224 9.2224 k = 0.0595 0.0595-0.0000 ( 23603 PWs) bands (ev): -15.6364 -15.6364 -15.6279 -15.6279 -10.6502 -10.6502 -10.1881 -10.1881 -9.8421 -9.8421 -9.8150 -9.8150 -4.4040 -4.4040 -4.3887 -4.3887 -3.0088 -3.0088 -2.9808 -2.9808 -2.9590 -2.9590 -2.9137 -2.9137 -0.2791 -0.2791 -0.1853 -0.1853 0.2693 0.2693 0.3735 0.3735 0.5023 0.5023 0.5724 0.5724 0.7509 0.7509 0.8990 0.8990 1.2431 1.2431 1.3800 1.3800 1.5871 1.5871 1.7457 1.7457 1.9160 1.9160 1.9766 1.9766 2.2756 2.2756 2.4186 2.4186 2.5805 2.5805 2.7810 2.7810 2.7965 2.7965 3.0050 3.0050 3.2297 3.2297 3.4154 3.4154 5.7685 5.7685 6.3824 6.3824 7.8584 7.8584 8.0027 8.0027 8.9259 8.9259 8.9752 8.9752 9.2276 9.2276 k = 0.0476 0.0476-0.0000 ( 23597 PWs) bands (ev): -15.6366 -15.6366 -15.6280 -15.6280 -10.6535 -10.6535 -10.1856 -10.1856 -9.8420 -9.8420 -9.8145 -9.8145 -4.4040 -4.4040 -4.3888 -4.3888 -3.0086 -3.0086 -2.9806 -2.9806 -2.9594 -2.9594 -2.9135 -2.9135 -0.2760 -0.2760 -0.1885 -0.1885 0.2601 0.2601 0.3790 0.3790 0.5027 0.5027 0.5698 0.5698 0.7557 0.7557 0.8956 0.8956 1.2440 1.2440 1.3865 1.3865 1.5871 1.5871 1.7638 1.7638 1.8982 1.8982 1.9931 1.9931 2.2964 2.2964 2.4146 2.4146 2.5828 2.5828 2.7990 2.7990 2.8048 2.8048 3.0210 3.0210 3.2157 3.2157 3.4217 3.4217 5.7181 5.7181 6.3496 6.3496 7.8241 7.8241 7.9779 7.9779 8.9066 8.9066 8.9520 8.9520 9.2309 9.2309 k = 0.0357 0.0357-0.0000 ( 23589 PWs) bands (ev): -15.6368 -15.6368 -15.6281 -15.6281 -10.6560 -10.6560 -10.1837 -10.1837 -9.8420 -9.8420 -9.8141 -9.8141 -4.4040 -4.4040 -4.3888 -4.3888 -3.0085 -3.0085 -2.9806 -2.9806 -2.9598 -2.9598 -2.9134 -2.9134 -0.2743 -0.2743 -0.1900 -0.1900 0.2525 0.2525 0.3836 0.3836 0.5029 0.5029 0.5673 0.5673 0.7589 0.7589 0.8937 0.8937 1.2445 1.2445 1.3917 1.3917 1.5873 1.5873 1.7809 1.7809 1.8815 1.8815 2.0059 2.0059 2.3149 2.3149 2.4098 2.4098 2.5846 2.5846 2.8012 2.8012 2.8262 2.8262 3.0307 3.0307 3.2061 3.2061 3.4268 3.4268 5.6775 5.6775 6.3238 6.3238 7.7968 7.7968 7.9586 7.9586 8.8916 8.8916 8.9337 8.9337 9.2321 9.2321 k = 0.0238 0.0238-0.0000 ( 23565 PWs) bands (ev): -15.6369 -15.6369 -15.6281 -15.6281 -10.6578 -10.6578 -10.1822 -10.1822 -9.8419 -9.8419 -9.8139 -9.8139 -4.4040 -4.4040 -4.3888 -4.3888 -3.0084 -3.0084 -2.9806 -2.9806 -2.9601 -2.9601 -2.9134 -2.9134 -0.2737 -0.2737 -0.1903 -0.1903 0.2470 0.2470 0.3871 0.3871 0.5032 0.5032 0.5653 0.5653 0.7607 0.7607 0.8928 0.8928 1.2449 1.2449 1.3954 1.3954 1.5875 1.5875 1.7966 1.7966 1.8660 1.8660 2.0151 2.0151 2.3302 2.3302 2.4045 2.4045 2.5859 2.5859 2.8028 2.8028 2.8437 2.8437 3.0347 3.0347 3.2008 3.2008 3.4305 3.4305 5.6476 5.6476 6.3053 6.3053 7.7770 7.7770 7.9448 7.9448 8.8810 8.8810 8.9206 8.9206 9.2315 9.2315 k = 0.0119 0.0119-0.0000 ( 23567 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6589 -10.6589 -10.1814 -10.1814 -9.8419 -9.8419 -9.8137 -9.8137 -4.4040 -4.4040 -4.3889 -4.3889 -3.0083 -3.0083 -2.9806 -2.9806 -2.9602 -2.9602 -2.9133 -2.9133 -0.2735 -0.2735 -0.1902 -0.1902 0.2435 0.2435 0.3892 0.3892 0.5033 0.5033 0.5641 0.5641 0.7616 0.7616 0.8924 0.8924 1.2450 1.2450 1.3977 1.3977 1.5877 1.5877 1.8104 1.8104 1.8524 1.8524 2.0206 2.0206 2.3410 2.3410 2.3998 2.3998 2.5867 2.5867 2.8038 2.8038 2.8555 2.8555 3.0351 3.0351 3.1987 3.1987 3.4327 3.4327 5.6293 5.6293 6.2941 6.2941 7.7650 7.7650 7.9365 7.9365 8.8746 8.8746 8.9126 8.9126 9.2305 9.2305 k = 0.0000 0.0000 0.0000 ( 23567 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6593 -10.6593 -10.1811 -10.1811 -9.8418 -9.8418 -9.8136 -9.8136 -4.4040 -4.4040 -4.3889 -4.3889 -3.0083 -3.0083 -2.9806 -2.9806 -2.9603 -2.9603 -2.9133 -2.9133 -0.2735 -0.2735 -0.1902 -0.1902 0.2424 0.2424 0.3900 0.3900 0.5034 0.5034 0.5636 0.5636 0.7619 0.7619 0.8923 0.8923 1.2450 1.2450 1.3984 1.3984 1.5878 1.5878 1.8174 1.8174 1.8454 1.8454 2.0224 2.0224 2.3451 2.3451 2.3978 2.3978 2.5869 2.5869 2.8041 2.8041 2.8597 2.8597 3.0349 3.0349 3.1982 3.1982 3.4335 3.4335 5.6231 5.6231 6.2903 6.2903 7.7609 7.7609 7.9337 7.9337 8.8725 8.8725 8.9100 8.9100 9.2300 9.2300 k = 0.0000 0.0000 0.0000 ( 23567 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6593 -10.6593 -10.1811 -10.1811 -9.8418 -9.8418 -9.8136 -9.8136 -4.4040 -4.4040 -4.3889 -4.3889 -3.0083 -3.0083 -2.9806 -2.9806 -2.9603 -2.9603 -2.9133 -2.9133 -0.2735 -0.2735 -0.1902 -0.1902 0.2424 0.2424 0.3900 0.3900 0.5034 0.5034 0.5636 0.5636 0.7619 0.7619 0.8923 0.8923 1.2450 1.2450 1.3984 1.3984 1.5878 1.5878 1.8174 1.8174 1.8454 1.8454 2.0224 2.0224 2.3451 2.3451 2.3978 2.3978 2.5869 2.5869 2.8041 2.8041 2.8597 2.8597 3.0349 3.0349 3.1982 3.1982 3.4335 3.4335 5.6231 5.6231 6.2903 6.2903 7.7609 7.7609 7.9337 7.9337 8.8725 8.8725 8.9100 8.9100 9.2300 9.2300 k = 0.0000 0.0000 0.0163 ( 23547 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6593 -10.6593 -10.1811 -10.1811 -9.8419 -9.8419 -9.8136 -9.8136 -4.4042 -4.4042 -4.3886 -4.3886 -3.0093 -3.0093 -2.9795 -2.9795 -2.9602 -2.9602 -2.9134 -2.9134 -0.2735 -0.2735 -0.1902 -0.1902 0.2409 0.2409 0.3900 0.3900 0.5040 0.5040 0.5640 0.5640 0.7619 0.7619 0.8924 0.8924 1.2450 1.2450 1.3984 1.3984 1.5879 1.5879 1.8174 1.8174 1.8455 1.8455 2.0214 2.0214 2.3440 2.3440 2.3988 2.3988 2.5880 2.5880 2.8055 2.8055 2.8594 2.8594 3.0349 3.0349 3.1978 3.1978 3.4316 3.4316 5.6272 5.6272 6.2919 6.2919 7.7612 7.7612 7.9353 7.9353 8.8693 8.8693 8.9048 8.9048 9.2222 9.2222 k = 0.0000 0.0000 0.0326 ( 23571 PWs) bands (ev): -15.6370 -15.6370 -15.6282 -15.6282 -10.6593 -10.6593 -10.1811 -10.1811 -9.8420 -9.8420 -9.8135 -9.8135 -4.4049 -4.4049 -4.3879 -4.3879 -3.0120 -3.0120 -2.9764 -2.9764 -2.9600 -2.9600 -2.9136 -2.9136 -0.2734 -0.2734 -0.1901 -0.1901 0.2367 0.2367 0.3900 0.3900 0.5057 0.5057 0.5651 0.5651 0.7618 0.7618 0.8924 0.8924 1.2450 1.2450 1.3984 1.3984 1.5884 1.5884 1.8174 1.8174 1.8459 1.8459 2.0183 2.0183 2.3407 2.3407 2.4019 2.4019 2.5910 2.5910 2.8097 2.8097 2.8586 2.8586 3.0349 3.0349 3.1966 3.1966 3.4260 3.4260 5.6392 5.6392 6.2966 6.2966 7.7618 7.7618 7.9401 7.9401 8.8598 8.8598 8.8895 8.8895 9.2003 9.2003 k = 0.0000 0.0000 0.0489 ( 23567 PWs) bands (ev): -15.6369 -15.6369 -15.6283 -15.6283 -10.6594 -10.6594 -10.1811 -10.1811 -9.8421 -9.8421 -9.8133 -9.8133 -4.4058 -4.4058 -4.3869 -4.3869 -3.0156 -3.0156 -2.9723 -2.9723 -2.9597 -2.9597 -2.9140 -2.9140 -0.2733 -0.2733 -0.1901 -0.1901 0.2300 0.2300 0.3900 0.3900 0.5080 0.5080 0.5671 0.5671 0.7618 0.7618 0.8925 0.8925 1.2450 1.2450 1.3984 1.3984 1.5893 1.5893 1.8174 1.8174 1.8465 1.8465 2.0134 2.0134 2.3355 2.3355 2.4070 2.4070 2.5959 2.5959 2.8165 2.8165 2.8571 2.8571 3.0348 3.0348 3.1947 3.1947 3.4169 3.4169 5.6588 5.6588 6.3042 6.3042 7.7630 7.7630 7.9481 7.9481 8.8443 8.8443 8.8648 8.8648 9.1682 9.1682 k = 0.0000 0.0000 0.0652 ( 23563 PWs) bands (ev): -15.6369 -15.6369 -15.6284 -15.6284 -10.6595 -10.6595 -10.1811 -10.1811 -9.8423 -9.8423 -9.8130 -9.8130 -4.4070 -4.4070 -4.3856 -4.3856 -3.0195 -3.0195 -2.9676 -2.9676 -2.9592 -2.9592 -2.9145 -2.9145 -0.2731 -0.2731 -0.1901 -0.1901 0.2214 0.2214 0.3900 0.3900 0.5101 0.5101 0.5704 0.5704 0.7618 0.7618 0.8927 0.8927 1.2450 1.2450 1.3985 1.3985 1.5905 1.5905 1.8174 1.8174 1.8474 1.8474 2.0069 2.0069 2.3286 2.3286 2.4137 2.4137 2.6025 2.6025 2.8255 2.8255 2.8551 2.8551 3.0348 3.0348 3.1920 3.1920 3.4047 3.4047 5.6853 5.6853 6.3145 6.3145 7.7645 7.7645 7.9593 7.9593 8.8233 8.8233 8.8316 8.8316 9.1298 9.1298 k = 0.0000 0.0000 0.0815 ( 23599 PWs) bands (ev): -15.6368 -15.6368 -15.6284 -15.6284 -10.6595 -10.6595 -10.1811 -10.1811 -9.8426 -9.8426 -9.8127 -9.8127 -4.4082 -4.4082 -4.3842 -4.3842 -3.0234 -3.0234 -2.9627 -2.9627 -2.9587 -2.9587 -2.9151 -2.9151 -0.2729 -0.2729 -0.1900 -0.1900 0.2115 0.2115 0.3900 0.3900 0.5114 0.5114 0.5748 0.5748 0.7621 0.7621 0.8929 0.8929 1.2450 1.2450 1.3985 1.3985 1.5919 1.5919 1.8174 1.8174 1.8484 1.8484 1.9991 1.9991 2.3204 2.3204 2.4217 2.4217 2.6106 2.6106 2.8363 2.8363 2.8525 2.8525 3.0348 3.0348 3.1886 3.1886 3.3901 3.3901 5.7179 5.7179 6.3272 6.3272 7.7663 7.7663 7.9735 7.9735 8.7912 8.7912 8.7971 8.7971 9.0886 9.0886 k = 0.0000 0.0000 0.0977 ( 23595 PWs) bands (ev): -15.6367 -15.6367 -15.6286 -15.6286 -10.6596 -10.6596 -10.1811 -10.1811 -9.8428 -9.8428 -9.8123 -9.8123 -4.4095 -4.4095 -4.3828 -4.3828 -3.0273 -3.0273 -2.9580 -2.9580 -2.9577 -2.9577 -2.9158 -2.9158 -0.2727 -0.2727 -0.1900 -0.1900 0.2007 0.2007 0.3899 0.3899 0.5117 0.5117 0.5803 0.5803 0.7628 0.7628 0.8931 0.8931 1.2450 1.2450 1.3985 1.3985 1.5936 1.5936 1.8174 1.8174 1.8497 1.8497 1.9904 1.9904 2.3114 2.3114 2.4308 2.4308 2.6200 2.6200 2.8486 2.8486 2.8493 2.8493 3.0348 3.0348 3.1845 3.1845 3.3737 3.3737 5.7554 5.7554 6.3420 6.3420 7.7685 7.7685 7.9908 7.9908 8.7451 8.7451 8.7665 8.7665 9.0468 9.0468 k = 0.0000 0.0000 0.1140 ( 23615 PWs) bands (ev): -15.6366 -15.6366 -15.6287 -15.6287 -10.6597 -10.6597 -10.1811 -10.1811 -9.8431 -9.8431 -9.8119 -9.8119 -4.4107 -4.4107 -4.3814 -4.3814 -3.0309 -3.0309 -2.9572 -2.9572 -2.9529 -2.9529 -2.9166 -2.9166 -0.2724 -0.2724 -0.1899 -0.1899 0.1896 0.1896 0.3899 0.3899 0.5110 0.5110 0.5864 0.5864 0.7639 0.7639 0.8933 0.8933 1.2450 1.2450 1.3986 1.3986 1.5955 1.5955 1.8174 1.8174 1.8510 1.8510 1.9810 1.9810 2.3019 2.3019 2.4407 2.4407 2.6304 2.6304 2.8455 2.8455 2.8619 2.8619 3.0347 3.0347 3.1797 3.1797 3.3561 3.3561 5.7967 5.7967 6.3583 6.3583 7.7709 7.7709 8.0109 8.0109 8.6947 8.6947 8.7321 8.7321 9.0063 9.0063 k = 0.0000 0.0000 0.1303 ( 23607 PWs) bands (ev): -15.6364 -15.6364 -15.6288 -15.6288 -10.6598 -10.6598 -10.1811 -10.1811 -9.8434 -9.8434 -9.8115 -9.8115 -4.4119 -4.4119 -4.3801 -4.3801 -3.0343 -3.0343 -2.9564 -2.9564 -2.9483 -2.9483 -2.9174 -2.9174 -0.2722 -0.2722 -0.1898 -0.1898 0.1786 0.1786 0.3899 0.3899 0.5095 0.5095 0.5926 0.5926 0.7654 0.7654 0.8935 0.8935 1.2450 1.2450 1.3986 1.3986 1.5975 1.5975 1.8174 1.8174 1.8525 1.8525 1.9715 1.9715 2.2922 2.2922 2.4508 2.4508 2.6415 2.6415 2.8411 2.8411 2.8758 2.8758 3.0347 3.0347 3.1744 3.1744 3.3380 3.3380 5.8403 5.8403 6.3755 6.3755 7.7736 7.7736 8.0338 8.0338 8.6419 8.6419 8.6947 8.6947 8.9681 8.9681 k = 0.0000 0.0000 0.1466 ( 23619 PWs) bands (ev): -15.6363 -15.6363 -15.6289 -15.6289 -10.6599 -10.6599 -10.1811 -10.1811 -9.8437 -9.8437 -9.8111 -9.8111 -4.4129 -4.4129 -4.3789 -4.3789 -3.0373 -3.0373 -2.9556 -2.9556 -2.9440 -2.9440 -2.9183 -2.9183 -0.2719 -0.2719 -0.1898 -0.1898 0.1681 0.1681 0.3899 0.3899 0.5074 0.5074 0.5986 0.5986 0.7674 0.7674 0.8938 0.8938 1.2449 1.2449 1.3986 1.3986 1.5996 1.5996 1.8174 1.8174 1.8540 1.8540 1.9620 1.9620 2.2828 2.2828 2.4609 2.4609 2.6531 2.6531 2.8362 2.8362 2.8898 2.8898 3.0347 3.0347 3.1687 3.1687 3.3202 3.3202 5.8847 5.8847 6.3930 6.3930 7.7765 7.7765 8.0592 8.0592 8.5883 8.5883 8.6551 8.6551 8.9331 8.9331 k = 0.0000 0.0000 0.1629 ( 23595 PWs) bands (ev): -15.6362 -15.6362 -15.6290 -15.6290 -10.6600 -10.6600 -10.1811 -10.1811 -9.8440 -9.8440 -9.8107 -9.8107 -4.4139 -4.4139 -4.3777 -4.3777 -3.0400 -3.0400 -2.9547 -2.9547 -2.9401 -2.9401 -2.9192 -2.9192 -0.2717 -0.2717 -0.1897 -0.1897 0.1584 0.1584 0.3899 0.3899 0.5050 0.5050 0.6039 0.6039 0.7697 0.7697 0.8940 0.8940 1.2449 1.2449 1.3987 1.3987 1.6017 1.6017 1.8174 1.8174 1.8555 1.8555 1.9530 1.9530 2.2740 2.2740 2.4705 2.4705 2.6648 2.6648 2.8307 2.8307 2.9035 2.9035 3.0346 3.0346 3.1628 3.1628 3.3033 3.3033 5.9284 5.9284 6.4101 6.4101 7.7795 7.7795 8.0869 8.0869 8.5357 8.5357 8.6139 8.6139 8.9019 8.9019 k = 0.0000 0.0000 0.1792 ( 23623 PWs) bands (ev): -15.6361 -15.6361 -15.6292 -15.6292 -10.6601 -10.6601 -10.1811 -10.1811 -9.8442 -9.8442 -9.8104 -9.8104 -4.4147 -4.4147 -4.3767 -4.3767 -3.0422 -3.0422 -2.9539 -2.9539 -2.9367 -2.9367 -2.9201 -2.9201 -0.2715 -0.2715 -0.1896 -0.1896 0.1497 0.1497 0.3899 0.3899 0.5026 0.5026 0.6085 0.6085 0.7722 0.7722 0.8942 0.8942 1.2449 1.2449 1.3987 1.3987 1.6037 1.6037 1.8174 1.8174 1.8569 1.8569 1.9447 1.9447 2.2660 2.2660 2.4794 2.4794 2.6762 2.6762 2.8248 2.8248 2.9164 2.9164 3.0346 3.0346 3.1567 3.1567 3.2878 3.2878 5.9696 5.9696 6.4261 6.4261 7.7827 7.7827 8.1164 8.1164 8.4862 8.4862 8.5721 8.5721 8.8749 8.8749 k = 0.0000 0.0000 0.1955 ( 23595 PWs) bands (ev): -15.6359 -15.6359 -15.6293 -15.6293 -10.6602 -10.6602 -10.1811 -10.1811 -9.8444 -9.8444 -9.8101 -9.8101 -4.4154 -4.4154 -4.3759 -4.3759 -3.0441 -3.0441 -2.9531 -2.9531 -2.9338 -2.9338 -2.9209 -2.9209 -0.2713 -0.2713 -0.1896 -0.1896 0.1424 0.1424 0.3899 0.3899 0.5004 0.5004 0.6123 0.6123 0.7746 0.7746 0.8944 0.8944 1.2449 1.2449 1.3987 1.3987 1.6055 1.6055 1.8174 1.8174 1.8582 1.8582 1.9375 1.9375 2.2591 2.2591 2.4871 2.4871 2.6871 2.6871 2.8188 2.8188 2.9281 2.9281 3.0346 3.0346 3.1510 3.1510 3.2744 3.2744 6.0066 6.0066 6.4402 6.4402 7.7858 7.7858 8.1473 8.1473 8.4416 8.4416 8.5307 8.5307 8.8524 8.8524 k = 0.0000 0.0000 0.2118 ( 23619 PWs) bands (ev): -15.6358 -15.6358 -15.6294 -15.6294 -10.6602 -10.6602 -10.1811 -10.1811 -9.8446 -9.8446 -9.8099 -9.8099 -4.4160 -4.4160 -4.3753 -4.3753 -3.0456 -3.0456 -2.9524 -2.9524 -2.9315 -2.9315 -2.9216 -2.9216 -0.2711 -0.2711 -0.1895 -0.1895 0.1364 0.1364 0.3898 0.3898 0.4985 0.4985 0.6151 0.6151 0.7768 0.7768 0.8946 0.8946 1.2449 1.2449 1.3988 1.3988 1.6070 1.6070 1.8175 1.8175 1.8593 1.8593 1.9316 1.9316 2.2535 2.2535 2.4935 2.4935 2.6968 2.6968 2.8130 2.8130 2.9381 2.9381 3.0346 3.0346 3.1458 3.1458 3.2634 3.2634 6.0376 6.0376 6.4519 6.4519 7.7888 7.7888 8.1783 8.1783 8.4041 8.4041 8.4912 8.4912 8.8347 8.8347 k = 0.0000 0.0000 0.2281 ( 23659 PWs) bands (ev): -15.6358 -15.6358 -15.6294 -15.6294 -10.6603 -10.6603 -10.1811 -10.1811 -9.8447 -9.8447 -9.8097 -9.8097 -4.4164 -4.4164 -4.3748 -4.3748 -3.0467 -3.0467 -2.9519 -2.9519 -2.9298 -2.9298 -2.9222 -2.9222 -0.2710 -0.2710 -0.1895 -0.1895 0.1321 0.1321 0.3898 0.3898 0.4971 0.4971 0.6171 0.6171 0.7785 0.7785 0.8947 0.8947 1.2449 1.2449 1.3988 1.3988 1.6082 1.6082 1.8174 1.8174 1.8601 1.8601 1.9272 1.9272 2.2494 2.2494 2.4983 2.4983 2.7047 2.7047 2.8080 2.8080 2.9457 2.9457 3.0346 3.0346 3.1416 3.1416 3.2553 3.2553 6.0611 6.0611 6.4606 6.4606 7.7912 7.7912 8.2074 8.2074 8.3755 8.3755 8.4558 8.4558 8.8219 8.8219 k = 0.0000 0.0000 0.2444 ( 23627 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6603 -10.6603 -10.1811 -10.1811 -9.8448 -9.8448 -9.8096 -9.8096 -4.4166 -4.4166 -4.3745 -4.3745 -3.0473 -3.0473 -2.9516 -2.9516 -2.9288 -2.9288 -2.9225 -2.9225 -0.2709 -0.2709 -0.1894 -0.1894 0.1295 0.1295 0.3898 0.3898 0.4961 0.4961 0.6183 0.6183 0.7796 0.7796 0.8947 0.8947 1.2449 1.2449 1.3988 1.3988 1.6089 1.6089 1.8175 1.8175 1.8606 1.8606 1.9245 1.9245 2.2469 2.2469 2.5012 2.5012 2.7100 2.7100 2.8045 2.8045 2.9506 2.9506 3.0346 3.0346 3.1389 3.1389 3.2503 3.2503 6.0758 6.0758 6.4659 6.4659 7.7929 7.7929 8.2302 8.2302 8.3576 8.3576 8.4291 8.4291 8.8142 8.8142 k = 0.0000 0.0000 0.2607 ( 23622 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6603 -10.6603 -10.1811 -10.1811 -9.8448 -9.8448 -9.8096 -9.8096 -4.4167 -4.4167 -4.3744 -4.3744 -3.0476 -3.0476 -2.9515 -2.9515 -2.9285 -2.9285 -2.9226 -2.9226 -0.2709 -0.2709 -0.1894 -0.1894 0.1286 0.1286 0.3898 0.3898 0.4958 0.4958 0.6187 0.6187 0.7800 0.7800 0.8948 0.8948 1.2449 1.2449 1.3988 1.3988 1.6092 1.6092 1.8175 1.8175 1.8608 1.8608 1.9236 1.9236 2.2460 2.2460 2.5022 2.5022 2.7119 2.7119 2.8032 2.8032 2.9522 2.9522 3.0346 3.0346 3.1380 3.1380 3.2486 3.2486 6.0808 6.0808 6.4677 6.4677 7.7935 7.7935 8.2395 8.2395 8.3515 8.3515 8.4186 8.4186 8.8117 8.8117 k = 0.0000 0.0000 0.2607 ( 23622 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6603 -10.6603 -10.1811 -10.1811 -9.8448 -9.8448 -9.8096 -9.8096 -4.4167 -4.4167 -4.3744 -4.3744 -3.0476 -3.0476 -2.9515 -2.9515 -2.9285 -2.9285 -2.9226 -2.9226 -0.2709 -0.2709 -0.1894 -0.1894 0.1286 0.1286 0.3898 0.3898 0.4958 0.4958 0.6187 0.6187 0.7800 0.7800 0.8948 0.8948 1.2449 1.2449 1.3988 1.3988 1.6092 1.6092 1.8175 1.8175 1.8608 1.8608 1.9236 1.9236 2.2460 2.2460 2.5022 2.5022 2.7119 2.7119 2.8032 2.8032 2.9522 2.9522 3.0346 3.0346 3.1380 3.1380 3.2486 3.2486 6.0808 6.0808 6.4677 6.4677 7.7935 7.7935 8.2395 8.2395 8.3515 8.3515 8.4186 8.4186 8.8117 8.8117 k = 0.0000 0.0167 0.2607 ( 23628 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6600 -10.6600 -10.1814 -10.1814 -9.8448 -9.8448 -9.8096 -9.8096 -4.4167 -4.4167 -4.3744 -4.3744 -3.0475 -3.0475 -2.9515 -2.9515 -2.9285 -2.9285 -2.9226 -2.9226 -0.2709 -0.2709 -0.1895 -0.1895 0.1293 0.1293 0.3891 0.3891 0.4956 0.4956 0.6193 0.6193 0.7801 0.7801 0.8949 0.8949 1.2448 1.2448 1.3980 1.3980 1.6090 1.6090 1.8125 1.8125 1.8657 1.8657 1.9225 1.9225 2.2445 2.2445 2.5003 2.5003 2.7114 2.7114 2.8006 2.8006 2.9515 2.9515 3.0320 3.0320 3.1419 3.1419 3.2484 3.2484 6.0861 6.0861 6.4714 6.4714 7.7966 7.7966 8.2415 8.2415 8.3541 8.3541 8.4209 8.4209 8.8124 8.8124 k = 0.0000 0.0333 0.2607 ( 23634 PWs) bands (ev): -15.6356 -15.6356 -15.6294 -15.6294 -10.6589 -10.6589 -10.1822 -10.1822 -9.8449 -9.8449 -9.8098 -9.8098 -4.4166 -4.4166 -4.3744 -4.3744 -3.0473 -3.0473 -2.9514 -2.9514 -2.9287 -2.9287 -2.9225 -2.9225 -0.2709 -0.2709 -0.1896 -0.1896 0.1314 0.1314 0.3870 0.3870 0.4950 0.4950 0.6209 0.6209 0.7802 0.7802 0.8953 0.8953 1.2445 1.2445 1.3956 1.3956 1.6085 1.6085 1.8016 1.8016 1.8766 1.8766 1.9191 1.9191 2.2399 2.2399 2.4948 2.4948 2.7098 2.7098 2.7934 2.7934 2.9495 2.9495 3.0257 3.0257 3.1519 3.1519 3.2478 3.2478 6.1019 6.1019 6.4825 6.4825 7.8060 7.8060 8.2477 8.2477 8.3618 8.3618 8.4278 8.4279 8.8148 8.8148 k = 0.0000 0.0500 0.2607 ( 23624 PWs) bands (ev): -15.6355 -15.6355 -15.6294 -15.6294 -10.6571 -10.6571 -10.1836 -10.1836 -9.8449 -9.8449 -9.8101 -9.8101 -4.4164 -4.4164 -4.3745 -4.3745 -3.0470 -3.0470 -2.9513 -2.9513 -2.9291 -2.9291 -2.9224 -2.9224 -0.2709 -0.2709 -0.1897 -0.1897 0.1349 0.1349 0.3835 0.3835 0.4940 0.4940 0.6234 0.6234 0.7803 0.7803 0.8963 0.8963 1.2440 1.2440 1.3917 1.3917 1.6074 1.6074 1.7890 1.7890 1.8894 1.8894 1.9132 1.9132 2.2321 2.2321 2.4854 2.4854 2.7073 2.7073 2.7830 2.7830 2.9463 2.9463 3.0181 3.0181 3.1646 3.1646 3.2468 3.2468 6.1280 6.1280 6.5010 6.5010 7.8216 7.8216 8.2578 8.2578 8.3747 8.3747 8.4394 8.4394 8.8187 8.8187 k = 0.0000 0.0667 0.2607 ( 23644 PWs) bands (ev): -15.6354 -15.6354 -15.6293 -15.6293 -10.6546 -10.6546 -10.1856 -10.1856 -9.8450 -9.8450 -9.8104 -9.8104 -4.4162 -4.4162 -4.3746 -4.3746 -3.0465 -3.0465 -2.9511 -2.9511 -2.9295 -2.9295 -2.9222 -2.9222 -0.2711 -0.2711 -0.1894 -0.1894 0.1395 0.1395 0.3787 0.3787 0.4927 0.4927 0.6265 0.6265 0.7801 0.7801 0.8981 0.8981 1.2432 1.2432 1.3863 1.3863 1.6055 1.6055 1.7763 1.7763 1.9027 1.9027 1.9045 1.9045 2.2212 2.2212 2.4725 2.4725 2.7038 2.7038 2.7714 2.7714 2.9418 2.9418 3.0108 3.0108 3.1772 3.1772 3.2453 3.2453 6.1639 6.1639 6.5266 6.5266 7.8431 7.8431 8.2718 8.2718 8.3927 8.3927 8.4554 8.4554 8.8242 8.8242 k = 0.0000 0.0833 0.2607 ( 23648 PWs) bands (ev): -15.6352 -15.6352 -15.6291 -15.6291 -10.6514 -10.6514 -10.1881 -10.1881 -9.8451 -9.8451 -9.8109 -9.8109 -4.4160 -4.4160 -4.3748 -4.3748 -3.0459 -3.0459 -2.9509 -2.9509 -2.9302 -2.9302 -2.9220 -2.9220 -0.2715 -0.2715 -0.1885 -0.1885 0.1451 0.1451 0.3726 0.3726 0.4914 0.4914 0.6296 0.6296 0.7796 0.7796 0.9010 0.9010 1.2421 1.2421 1.3795 1.3795 1.6025 1.6025 1.7645 1.7645 1.8923 1.8923 1.9163 1.9163 2.2071 2.2071 2.4563 2.4563 2.6992 2.6992 2.7603 2.7603 2.9363 2.9363 3.0044 3.0044 3.1881 3.1881 3.2433 3.2433 6.2091 6.2091 6.5592 6.5592 7.8706 7.8706 8.2895 8.2895 8.4159 8.4159 8.4758 8.4758 8.8314 8.8314 k = 0.0000 0.1000 0.2607 ( 23638 PWs) bands (ev): -15.6349 -15.6349 -15.6290 -15.6290 -10.6475 -10.6475 -10.1911 -10.1911 -9.8452 -9.8452 -9.8115 -9.8115 -4.4157 -4.4157 -4.3750 -4.3750 -3.0452 -3.0452 -2.9506 -2.9506 -2.9309 -2.9309 -2.9217 -2.9217 -0.2720 -0.2720 -0.1868 -0.1868 0.1516 0.1516 0.3654 0.3654 0.4901 0.4901 0.6322 0.6322 0.7788 0.7788 0.9053 0.9053 1.2406 1.2406 1.3715 1.3715 1.5981 1.5981 1.7544 1.7544 1.8762 1.8762 1.9297 1.9297 2.1901 2.1901 2.4380 2.4380 2.6936 2.6936 2.7511 2.7511 2.9298 2.9298 2.9988 2.9988 3.1960 3.1960 3.2408 3.2408 6.2630 6.2630 6.5985 6.5985 7.9037 7.9037 8.3106 8.3106 8.4440 8.4440 8.5004 8.5004 8.8401 8.8401 k = 0.0000 0.1167 0.2607 ( 23638 PWs) bands (ev): -15.6347 -15.6347 -15.6288 -15.6288 -10.6429 -10.6429 -10.1948 -10.1948 -9.8453 -9.8453 -9.8122 -9.8122 -4.4153 -4.4153 -4.3752 -4.3752 -3.0444 -3.0444 -2.9504 -2.9504 -2.9318 -2.9318 -2.9213 -2.9213 -0.2727 -0.2727 -0.1839 -0.1839 0.1587 0.1587 0.3571 0.3571 0.4888 0.4888 0.6335 0.6335 0.7779 0.7779 0.9111 0.9111 1.2386 1.2386 1.3623 1.3623 1.5920 1.5920 1.7464 1.7464 1.8552 1.8552 1.9429 1.9429 2.1707 2.1707 2.4186 2.4186 2.6871 2.6871 2.7445 2.7445 2.9227 2.9227 2.9939 2.9939 3.2005 3.2005 3.2376 3.2376 6.3248 6.3248 6.6445 6.6445 7.9421 7.9421 8.3350 8.3350 8.4770 8.4770 8.5289 8.5289 8.8504 8.8504 k = 0.0000 0.1333 0.2607 ( 23640 PWs) bands (ev): -15.6344 -15.6344 -15.6286 -15.6286 -10.6377 -10.6377 -10.1989 -10.1989 -9.8454 -9.8454 -9.8130 -9.8130 -4.4149 -4.4149 -4.3754 -4.3754 -3.0434 -3.0434 -2.9501 -2.9501 -2.9328 -2.9328 -2.9208 -2.9208 -0.2733 -0.2733 -0.1798 -0.1798 0.1663 0.1663 0.3479 0.3479 0.4877 0.4877 0.6328 0.6328 0.7775 0.7775 0.9184 0.9184 1.2360 1.2360 1.3524 1.3524 1.5840 1.5840 1.7408 1.7408 1.8288 1.8288 1.9560 1.9560 2.1501 2.1501 2.3994 2.3994 2.6796 2.6796 2.7405 2.7405 2.9150 2.9150 2.9894 2.9894 3.2012 3.2012 3.2338 3.2338 6.3936 6.3936 6.6966 6.6966 7.9855 7.9855 8.3626 8.3626 8.5146 8.5146 8.5611 8.5611 8.8622 8.8622 k = 0.0000 0.1500 0.2607 ( 23648 PWs) bands (ev): -15.6340 -15.6340 -15.6284 -15.6284 -10.6318 -10.6318 -10.2036 -10.2036 -9.8456 -9.8456 -9.8138 -9.8138 -4.4144 -4.4144 -4.3757 -4.3757 -3.0424 -3.0424 -2.9499 -2.9499 -2.9339 -2.9339 -2.9203 -2.9203 -0.2738 -0.2738 -0.1745 -0.1745 0.1742 0.1742 0.3378 0.3378 0.4868 0.4868 0.6294 0.6294 0.7780 0.7780 0.9270 0.9270 1.2327 1.2327 1.3418 1.3418 1.5744 1.5744 1.7376 1.7376 1.7963 1.7963 1.9690 1.9690 2.1292 2.1292 2.3811 2.3811 2.6711 2.6711 2.7390 2.7390 2.9071 2.9071 2.9852 2.9852 3.1980 3.1980 3.2292 3.2292 6.4686 6.4686 6.7545 6.7545 8.0336 8.0336 8.3931 8.3931 8.5565 8.5565 8.5965 8.5965 8.8757 8.8757 k = 0.0000 0.1667 0.2607 ( 23634 PWs) bands (ev): -15.6336 -15.6336 -15.6282 -15.6282 -10.6253 -10.6253 -10.2089 -10.2089 -9.8457 -9.8457 -9.8148 -9.8148 -4.4138 -4.4138 -4.3761 -4.3761 -3.0412 -3.0412 -2.9497 -2.9497 -2.9349 -2.9349 -2.9197 -2.9197 -0.2739 -0.2739 -0.1678 -0.1678 0.1824 0.1824 0.3270 0.3270 0.4862 0.4862 0.6228 0.6228 0.7798 0.7798 0.9368 0.9368 1.2283 1.2283 1.3309 1.3309 1.5633 1.5633 1.7365 1.7365 1.7578 1.7578 1.9820 1.9820 2.1093 2.1093 2.3642 2.3642 2.6618 2.6618 2.7395 2.7395 2.8990 2.8990 2.9812 2.9812 3.1910 3.1910 3.2238 3.2238 6.5489 6.5489 6.8179 6.8179 8.0859 8.0859 8.4265 8.4265 8.6023 8.6023 8.6348 8.6348 8.8908 8.8908 k = 0.0000 0.1833 0.2607 ( 23616 PWs) bands (ev): -15.6332 -15.6332 -15.6280 -15.6280 -10.6181 -10.6181 -10.2147 -10.2147 -9.8458 -9.8458 -9.8158 -9.8158 -4.4132 -4.4132 -4.3765 -4.3765 -3.0400 -3.0400 -2.9498 -2.9498 -2.9358 -2.9358 -2.9191 -2.9191 -0.2733 -0.2733 -0.1600 -0.1600 0.1907 0.1907 0.3155 0.3155 0.4858 0.4858 0.6129 0.6129 0.7828 0.7828 0.9475 0.9475 1.2228 1.2228 1.3200 1.3200 1.5510 1.5510 1.7131 1.7131 1.7381 1.7381 1.9950 1.9950 2.0910 2.0910 2.3489 2.3489 2.6517 2.6517 2.7419 2.7419 2.8911 2.8911 2.9772 2.9772 3.1802 3.1802 3.2176 3.2176 6.6335 6.6335 6.8864 6.8864 8.1419 8.1419 8.4627 8.4627 8.6514 8.6514 8.6754 8.6754 8.9077 8.9077 k = 0.0000 0.2000 0.2607 ( 23608 PWs) bands (ev): -15.6328 -15.6328 -15.6278 -15.6278 -10.6104 -10.6104 -10.2210 -10.2210 -9.8459 -9.8459 -9.8169 -9.8169 -4.4126 -4.4126 -4.3769 -4.3769 -3.0386 -3.0386 -2.9502 -2.9502 -2.9364 -2.9364 -2.9184 -2.9184 -0.2719 -0.2719 -0.1509 -0.1509 0.1991 0.1991 0.3035 0.3035 0.4855 0.4855 0.6001 0.6001 0.7867 0.7867 0.9589 0.9589 1.2158 1.2158 1.3095 1.3095 1.5380 1.5380 1.6647 1.6647 1.7408 1.7408 2.0080 2.0080 2.0748 2.0748 2.3352 2.3352 2.6409 2.6409 2.7457 2.7457 2.8834 2.8834 2.9731 2.9731 3.1659 3.1659 3.2107 3.2107 6.7216 6.7216 6.9594 6.9594 8.2011 8.2011 8.5016 8.5016 8.7034 8.7034 8.7176 8.7176 8.9266 8.9266 k = 0.0000 0.2167 0.2607 ( 23612 PWs) bands (ev): -15.6324 -15.6324 -15.6275 -15.6275 -10.6021 -10.6021 -10.2278 -10.2278 -9.8459 -9.8459 -9.8180 -9.8180 -4.4118 -4.4118 -4.3774 -4.3774 -3.0371 -3.0371 -2.9511 -2.9511 -2.9367 -2.9367 -2.9178 -2.9178 -0.2694 -0.2694 -0.1407 -0.1407 0.2075 0.2075 0.2910 0.2910 0.4854 0.4854 0.5846 0.5846 0.7912 0.7912 0.9708 0.9708 1.2071 1.2071 1.2995 1.2995 1.5243 1.5243 1.6135 1.6135 1.7450 1.7450 2.0211 2.0211 2.0606 2.0606 2.3228 2.3228 2.6296 2.6296 2.7507 2.7507 2.8761 2.8761 2.9688 2.9688 3.1484 3.1484 3.2030 3.2030 6.8120 6.8120 7.0364 7.0364 8.2629 8.2629 8.5430 8.5430 8.7561 8.7561 8.7622 8.7622 8.9476 8.9476 k = 0.0000 0.2333 0.2607 ( 23612 PWs) bands (ev): -15.6319 -15.6319 -15.6273 -15.6273 -10.5933 -10.5933 -10.2352 -10.2352 -9.8460 -9.8460 -9.8192 -9.8192 -4.4111 -4.4111 -4.3780 -4.3780 -3.0355 -3.0355 -2.9524 -2.9524 -2.9365 -2.9365 -2.9172 -2.9172 -0.2656 -0.2656 -0.1295 -0.1295 0.2159 0.2159 0.2781 0.2781 0.4854 0.4854 0.5669 0.5669 0.7956 0.7956 0.9829 0.9829 1.1965 1.1965 1.2901 1.2901 1.5096 1.5096 1.5619 1.5619 1.7504 1.7504 2.0327 2.0327 2.0498 2.0498 2.3118 2.3118 2.6177 2.6177 2.7568 2.7568 2.8694 2.8694 2.9644 2.9644 3.1279 3.1279 3.1946 3.1946 6.9041 6.9041 7.1168 7.1168 8.3266 8.3266 8.5869 8.5869 8.8015 8.8015 8.8158 8.8158 8.9710 8.9710 k = 0.0000 0.2500 0.2607 ( 23612 PWs) bands (ev): -15.6315 -15.6315 -15.6271 -15.6271 -10.5840 -10.5840 -10.2430 -10.2430 -9.8460 -9.8460 -9.8205 -9.8205 -4.4102 -4.4102 -4.3785 -4.3785 -3.0339 -3.0339 -2.9541 -2.9541 -2.9360 -2.9360 -2.9166 -2.9166 -0.2604 -0.2604 -0.1172 -0.1172 0.2242 0.2242 0.2647 0.2647 0.4855 0.4855 0.5475 0.5475 0.7996 0.7996 0.9950 0.9950 1.1838 1.1838 1.2811 1.2811 1.4901 1.4901 1.5158 1.5158 1.7568 1.7568 2.0320 2.0320 2.0531 2.0531 2.3021 2.3021 2.6056 2.6056 2.7638 2.7638 2.8634 2.8634 2.9598 2.9598 3.1048 3.1048 3.1854 3.1854 6.9967 6.9967 7.2001 7.2001 8.3915 8.3915 8.6333 8.6333 8.8430 8.8430 8.8731 8.8731 8.9969 8.9969 k = 0.0000 0.2667 0.2607 ( 23598 PWs) bands (ev): -15.6310 -15.6310 -15.6268 -15.6268 -10.5742 -10.5742 -10.2513 -10.2513 -9.8459 -9.8459 -9.8217 -9.8217 -4.4093 -4.4093 -4.3792 -4.3792 -3.0321 -3.0321 -2.9561 -2.9561 -2.9352 -2.9352 -2.9160 -2.9160 -0.2537 -0.2537 -0.1040 -0.1040 0.2324 0.2324 0.2512 0.2512 0.4854 0.4854 0.5268 0.5268 0.8027 0.8027 1.0070 1.0070 1.1685 1.1685 1.2718 1.2718 1.4527 1.4527 1.4909 1.4909 1.7640 1.7640 2.0226 2.0226 2.0664 2.0664 2.2935 2.2935 2.5935 2.5935 2.7714 2.7714 2.8580 2.8580 2.9547 2.9547 3.0797 3.0797 3.1755 3.1755 7.0892 7.0892 7.2853 7.2853 8.4570 8.4570 8.6819 8.6819 8.8820 8.8820 8.9313 8.9313 9.0254 9.0254 k = 0.0000 0.2833 0.2607 ( 23610 PWs) bands (ev): -15.6305 -15.6305 -15.6266 -15.6266 -10.5640 -10.5640 -10.2601 -10.2601 -9.8458 -9.8458 -9.8230 -9.8230 -4.4084 -4.4084 -4.3799 -4.3799 -3.0302 -3.0302 -2.9584 -2.9584 -2.9342 -2.9342 -2.9155 -2.9155 -0.2455 -0.2455 -0.0898 -0.0898 0.2352 0.2352 0.2425 0.2425 0.4849 0.4849 0.5052 0.5052 0.8048 0.8048 1.0187 1.0187 1.1499 1.1499 1.2615 1.2615 1.4113 1.4113 1.4760 1.4760 1.7719 1.7719 2.0130 2.0130 2.0813 2.0813 2.2861 2.2861 2.5814 2.5814 2.7796 2.7796 2.8533 2.8533 2.9491 2.9491 3.0530 3.0530 3.1649 3.1649 7.1806 7.1806 7.3718 7.3718 8.5220 8.5220 8.7326 8.7326 8.9175 8.9175 8.9896 8.9896 9.0565 9.0565 k = 0.0000 0.3000 0.2607 ( 23608 PWs) bands (ev): -15.6301 -15.6301 -15.6264 -15.6264 -10.5534 -10.5534 -10.2694 -10.2694 -9.8457 -9.8457 -9.8244 -9.8244 -4.4074 -4.4074 -4.3807 -4.3807 -3.0283 -3.0283 -2.9610 -2.9610 -2.9330 -2.9330 -2.9150 -2.9150 -0.2355 -0.2355 -0.0747 -0.0747 0.2217 0.2217 0.2497 0.2497 0.4798 0.4798 0.4874 0.4874 0.8057 0.8057 1.0299 1.0299 1.1272 1.1272 1.2494 1.2494 1.3770 1.3770 1.4628 1.4628 1.7803 1.7803 2.0037 2.0037 2.0969 2.0969 2.2797 2.2797 2.5698 2.5698 2.7881 2.7881 2.8494 2.8494 2.9425 2.9425 3.0259 3.0259 3.1536 3.1536 7.2701 7.2701 7.4586 7.4586 8.5858 8.5858 8.7850 8.7850 8.9489 8.9489 9.0473 9.0473 9.0903 9.0903 k = 0.0000 0.3167 0.2607 ( 23596 PWs) bands (ev): -15.6296 -15.6296 -15.6262 -15.6262 -10.5423 -10.5423 -10.2790 -10.2790 -9.8455 -9.8455 -9.8257 -9.8257 -4.4064 -4.4064 -4.3815 -4.3815 -3.0262 -3.0262 -2.9637 -2.9637 -2.9317 -2.9317 -2.9146 -2.9146 -0.2239 -0.2239 -0.0588 -0.0588 0.2068 0.2068 0.2576 0.2576 0.4587 0.4587 0.4847 0.4847 0.8054 0.8054 1.0402 1.0402 1.0998 1.0998 1.2356 1.2356 1.3524 1.3524 1.4503 1.4503 1.7892 1.7892 1.9948 1.9948 2.1131 2.1131 2.2744 2.2744 2.5589 2.5589 2.7968 2.7968 2.8462 2.8462 2.9336 2.9336 2.9998 2.9998 3.1417 3.1417 7.3571 7.3571 7.5445 7.5445 8.6475 8.6475 8.8385 8.8385 8.9762 8.9762 9.1039 9.1039 9.1268 9.1268 k = 0.0000 0.3333 0.2607 ( 23596 PWs) bands (ev): -15.6292 -15.6292 -15.6260 -15.6260 -10.5310 -10.5310 -10.2891 -10.2891 -9.8452 -9.8452 -9.8270 -9.8270 -4.4053 -4.4053 -4.3823 -4.3823 -3.0240 -3.0240 -2.9666 -2.9666 -2.9303 -2.9303 -2.9143 -2.9143 -0.2106 -0.2106 -0.0421 -0.0421 0.1913 0.1913 0.2653 0.2653 0.4360 0.4360 0.4831 0.4831 0.8040 0.8040 1.0466 1.0466 1.0709 1.0709 1.2213 1.2213 1.3369 1.3369 1.4384 1.4384 1.7986 1.7986 1.9861 1.9861 2.1296 2.1296 2.2702 2.2702 2.5490 2.5490 2.8051 2.8051 2.8437 2.8437 2.9204 2.9204 2.9778 2.9778 3.1292 3.1292 7.4409 7.4409 7.6283 7.6283 8.7061 8.7061 8.8924 8.8924 8.9998 8.9998 9.1590 9.1590 9.1659 9.1659 k = 0.0000 0.3500 0.2607 ( 23604 PWs) bands (ev): -15.6287 -15.6287 -15.6259 -15.6259 -10.5193 -10.5193 -10.2996 -10.2996 -9.8449 -9.8449 -9.8284 -9.8284 -4.4042 -4.4042 -4.3832 -4.3832 -3.0218 -3.0218 -2.9695 -2.9695 -2.9288 -2.9288 -2.9140 -2.9140 -0.1956 -0.1956 -0.0247 -0.0247 0.1753 0.1753 0.2724 0.2724 0.4137 0.4137 0.4808 0.4808 0.8017 0.8017 1.0254 1.0254 1.0658 1.0658 1.2082 1.2082 1.3280 1.3280 1.4270 1.4270 1.8082 1.8082 1.9775 1.9775 2.1462 2.1462 2.2669 2.2669 2.5406 2.5406 2.8120 2.8120 2.8419 2.8419 2.9012 2.9012 2.9628 2.9628 3.1162 3.1162 7.5209 7.5209 7.7084 7.7084 8.7610 8.7610 8.9453 8.9453 9.0208 9.0208 9.2073 9.2073 9.2124 9.2124 k = 0.0000 0.3667 0.2607 ( 23604 PWs) bands (ev): -15.6283 -15.6283 -15.6258 -15.6258 -10.5074 -10.5074 -10.3104 -10.3104 -9.8445 -9.8445 -9.8297 -9.8297 -4.4031 -4.4031 -4.3842 -4.3842 -3.0194 -3.0194 -2.9725 -2.9725 -2.9274 -2.9274 -2.9139 -2.9139 -0.1791 -0.1791 -0.0067 -0.0067 0.1588 0.1588 0.2781 0.2781 0.3930 0.3930 0.4776 0.4776 0.7987 0.7987 0.9895 0.9895 1.0737 1.0737 1.1967 1.1967 1.3235 1.3235 1.4161 1.4161 1.8180 1.8180 1.9690 1.9690 2.1628 2.1628 2.2644 2.2644 2.5341 2.5341 2.8142 2.8142 2.8415 2.8415 2.8794 2.8794 2.9542 2.9542 3.1028 3.1028 7.5967 7.5967 7.7830 7.7830 8.8117 8.8117 8.9958 8.9958 9.0408 9.0408 9.2517 9.2517 9.2630 9.2630 k = 0.0000 0.3833 0.2607 ( 23614 PWs) bands (ev): -15.6279 -15.6279 -15.6257 -15.6257 -10.4952 -10.4952 -10.3216 -10.3216 -9.8441 -9.8441 -9.8310 -9.8310 -4.4019 -4.4019 -4.3852 -4.3852 -3.0170 -3.0170 -2.9756 -2.9756 -2.9259 -2.9259 -2.9139 -2.9139 -0.1611 -0.1611 0.0118 0.0118 0.1418 0.1418 0.2808 0.2808 0.3755 0.3755 0.4732 0.4732 0.7954 0.7954 0.9532 0.9532 1.0823 1.0823 1.1868 1.1868 1.3218 1.3218 1.4057 1.4057 1.8280 1.8280 1.9605 1.9605 2.1789 2.1789 2.2628 2.2628 2.5301 2.5301 2.8051 2.8051 2.8439 2.8439 2.8628 2.8628 2.9497 2.9497 3.0890 3.0890 7.6677 7.6677 7.8503 7.8503 8.8583 8.8583 9.0417 9.0417 9.0611 9.0611 9.2984 9.2984 9.3094 9.3094 k = 0.0000 0.4000 0.2607 ( 23598 PWs) bands (ev): -15.6275 -15.6275 -15.6256 -15.6256 -10.4828 -10.4828 -10.3331 -10.3331 -9.8436 -9.8436 -9.8323 -9.8323 -4.4007 -4.4007 -4.3863 -4.3863 -3.0145 -3.0145 -2.9788 -2.9788 -2.9244 -2.9244 -2.9140 -2.9140 -0.1418 -0.1418 0.0304 0.0304 0.1245 0.1245 0.2782 0.2782 0.3639 0.3639 0.4674 0.4674 0.7922 0.7922 0.9191 0.9191 1.0908 1.0908 1.1781 1.1781 1.3222 1.3222 1.3958 1.3958 1.8381 1.8381 1.9519 1.9519 2.1942 2.1942 2.2617 2.2617 2.5290 2.5290 2.7829 2.7829 2.8480 2.8480 2.8558 2.8558 2.9482 2.9482 3.0749 3.0749 7.7337 7.7337 7.9082 7.9082 8.9018 8.9018 9.0800 9.0800 9.0841 9.0841 9.3437 9.3437 9.3495 9.3495 k = 0.0000 0.4167 0.2607 ( 23578 PWs) bands (ev): -15.6272 -15.6272 -15.6256 -15.6256 -10.4703 -10.4703 -10.3448 -10.3448 -9.8430 -9.8430 -9.8335 -9.8335 -4.3995 -4.3995 -4.3873 -4.3873 -3.0118 -3.0118 -2.9819 -2.9819 -2.9230 -2.9230 -2.9142 -2.9142 -0.1213 -0.1213 0.0480 0.0480 0.1081 0.1081 0.2681 0.2681 0.3603 0.3603 0.4602 0.4602 0.7894 0.7894 0.8883 0.8883 1.0989 1.0989 1.1703 1.1703 1.3241 1.3241 1.3864 1.3864 1.8482 1.8482 1.9432 1.9432 2.2081 2.2081 2.2610 2.2610 2.5315 2.5315 2.7539 2.7539 2.8503 2.8503 2.8559 2.8559 2.9495 2.9495 3.0607 3.0607 7.7942 7.7942 7.9550 7.9550 8.9438 8.9438 9.1046 9.1046 9.1142 9.1142 9.3613 9.3613 9.4003 9.4003 k = 0.0000 0.4333 0.2607 ( 23582 PWs) bands (ev): -15.6269 -15.6269 -15.6256 -15.6256 -10.4576 -10.4576 -10.3568 -10.3568 -9.8423 -9.8423 -9.8347 -9.8347 -4.3982 -4.3982 -4.3885 -4.3885 -3.0091 -3.0091 -2.9851 -2.9851 -2.9217 -2.9217 -2.9146 -2.9146 -0.0998 -0.0998 0.0590 0.0590 0.0979 0.0979 0.2519 0.2519 0.3636 0.3636 0.4514 0.4514 0.7875 0.7875 0.8617 0.8617 1.1067 1.1067 1.1630 1.1630 1.3271 1.3271 1.3775 1.3775 1.8583 1.8583 1.9344 1.9344 2.2204 2.2204 2.2604 2.2604 2.5381 2.5381 2.7228 2.7228 2.8512 2.8512 2.8584 2.8584 2.9535 2.9535 3.0464 3.0464 7.8489 7.8489 7.9891 7.9891 8.9860 8.9860 9.1278 9.1278 9.1375 9.1375 9.3567 9.3567 9.4545 9.4545 k = 0.0000 0.4500 0.2607 ( 23570 PWs) bands (ev): -15.6266 -15.6266 -15.6256 -15.6256 -10.4449 -10.4449 -10.3690 -10.3690 -9.8416 -9.8416 -9.8359 -9.8359 -4.3970 -4.3970 -4.3896 -4.3896 -3.0063 -3.0063 -2.9882 -2.9882 -2.9204 -2.9204 -2.9150 -2.9150 -0.0776 -0.0776 0.0518 0.0518 0.1057 0.1057 0.2322 0.2322 0.3712 0.3712 0.4412 0.4412 0.7869 0.7869 0.8394 0.8394 1.1143 1.1143 1.1560 1.1560 1.3310 1.3310 1.3691 1.3691 1.8683 1.8683 1.9254 1.9254 2.2308 2.2308 2.2594 2.2594 2.5490 2.5490 2.6916 2.6916 2.8525 2.8525 2.8600 2.8600 2.9601 2.9601 3.0321 3.0321 7.8973 7.8973 8.0101 8.0101 9.0291 9.0291 9.1500 9.1500 9.1530 9.1530 9.3363 9.3363 9.5110 9.5110 k = 0.0000 0.4667 0.2607 ( 23574 PWs) bands (ev): -15.6263 -15.6263 -15.6257 -15.6257 -10.4321 -10.4321 -10.3814 -10.3814 -9.8408 -9.8408 -9.8370 -9.8370 -4.3957 -4.3957 -4.3908 -4.3908 -3.0034 -3.0034 -2.9913 -2.9913 -2.9192 -2.9192 -2.9156 -2.9156 -0.0549 -0.0549 0.0338 0.0338 0.1239 0.1239 0.2108 0.2108 0.3814 0.3814 0.4298 0.4298 0.7882 0.7882 0.8216 0.8216 1.1216 1.1216 1.1492 1.1492 1.3358 1.3358 1.3613 1.3613 1.8782 1.8782 1.9163 1.9163 2.2394 2.2394 2.2578 2.2578 2.5642 2.5642 2.6613 2.6613 2.8542 2.8542 2.8602 2.8602 2.9690 2.9690 3.0181 3.0181 7.9389 7.9389 8.0180 8.0180 9.0718 9.0718 9.1573 9.1573 9.1749 9.1749 9.3055 9.3055 9.5693 9.5693 k = 0.0000 0.4833 0.2607 ( 23560 PWs) bands (ev): -15.6261 -15.6261 -15.6258 -15.6258 -10.4194 -10.4194 -10.3940 -10.3940 -9.8399 -9.8399 -9.8380 -9.8380 -4.3945 -4.3945 -4.3920 -4.3920 -3.0005 -3.0005 -2.9944 -2.9944 -2.9182 -2.9182 -2.9164 -2.9164 -0.0320 -0.0320 0.0128 0.0128 0.1448 0.1448 0.1887 0.1887 0.3930 0.3930 0.4177 0.4177 0.7918 0.7918 0.8080 0.8080 1.1287 1.1287 1.1424 1.1424 1.3412 1.3412 1.3540 1.3540 1.8879 1.8879 1.9070 1.9070 2.2462 2.2462 2.2552 2.2552 2.5836 2.5836 2.6328 2.6328 2.8561 2.8561 2.8594 2.8594 2.9796 2.9796 3.0046 3.0046 7.9728 7.9728 8.0136 8.0136 9.1102 9.1102 9.1534 9.1534 9.2008 9.2008 9.2690 9.2690 9.6286 9.6286 k = 0.0000 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3932 -4.3932 -4.3932 -4.3932 -2.9975 -2.9975 -2.9975 -2.9975 -2.9172 -2.9172 -2.9172 -2.9172 -0.0093 -0.0093 -0.0093 -0.0093 0.1666 0.1666 0.1666 0.1666 0.4052 0.4052 0.4052 0.4052 0.7982 0.7982 0.7982 0.7982 1.1356 1.1356 1.1356 1.1356 1.3473 1.3473 1.3473 1.3473 1.8975 1.8975 1.8975 1.8975 2.2514 2.2514 2.2514 2.2514 2.6067 2.6067 2.6067 2.6067 2.8580 2.8580 2.8580 2.8580 2.9916 2.9916 2.9916 2.9916 7.9981 7.9981 7.9981 7.9981 9.1383 9.1383 9.1383 9.1383 9.2323 9.2323 9.2323 9.2323 9.6832 9.6832 k = 0.0000 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3932 -4.3932 -4.3932 -4.3932 -2.9975 -2.9975 -2.9975 -2.9975 -2.9172 -2.9172 -2.9172 -2.9172 -0.0093 -0.0093 -0.0093 -0.0093 0.1666 0.1666 0.1666 0.1666 0.4052 0.4052 0.4052 0.4052 0.7982 0.7982 0.7982 0.7982 1.1356 1.1356 1.1356 1.1356 1.3473 1.3473 1.3473 1.3473 1.8975 1.8975 1.8975 1.8975 2.2514 2.2514 2.2514 2.2514 2.6067 2.6067 2.6067 2.6067 2.8580 2.8580 2.8580 2.8580 2.9916 2.9916 2.9916 2.9916 7.9981 7.9981 7.9981 7.9981 9.1383 9.1383 9.1383 9.1383 9.2323 9.2323 9.2323 9.2323 9.6832 9.6832 k = 0.0167 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4065 -10.4065 -9.8390 -9.8390 -9.8390 -9.8390 -4.3938 -4.3938 -4.3930 -4.3930 -2.9984 -2.9984 -2.9970 -2.9970 -2.9190 -2.9190 -2.9163 -2.9163 -0.0187 -0.0187 -0.0064 -0.0064 0.1577 0.1577 0.1774 0.1774 0.4032 0.4032 0.4077 0.4077 0.7993 0.7993 0.8002 0.8002 1.1344 1.1344 1.1378 1.1378 1.3440 1.3440 1.3515 1.3515 1.8894 1.8894 1.9045 1.9045 2.2508 2.2508 2.2525 2.2525 2.5891 2.5891 2.6173 2.6173 2.8525 2.8525 2.8714 2.8714 2.9910 2.9910 2.9940 2.9940 7.9969 7.9969 7.9998 7.9998 9.1294 9.1294 9.1408 9.1408 9.2278 9.2278 9.2329 9.2329 9.6865 9.6898 k = 0.0333 0.5000 0.2607 ( 23580 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4063 -10.4063 -10.4063 -10.4063 -9.8389 -9.8389 -9.8389 -9.8389 -4.3946 -4.3946 -4.3932 -4.3932 -2.9996 -2.9996 -2.9968 -2.9968 -2.9215 -2.9215 -2.9161 -2.9161 -0.0332 -0.0332 -0.0108 -0.0108 0.1520 0.1520 0.1888 0.1888 0.4016 0.4016 0.4103 0.4103 0.8034 0.8034 0.8050 0.8050 1.1343 1.1343 1.1412 1.1412 1.3416 1.3416 1.3564 1.3564 1.8801 1.8801 1.9102 1.9102 2.2507 2.2507 2.2542 2.2542 2.5674 2.5674 2.6192 2.6192 2.8567 2.8567 2.8894 2.8894 2.9924 2.9924 2.9991 2.9991 7.9963 7.9963 8.0021 8.0021 9.1137 9.1137 9.1353 9.1353 9.2220 9.2220 9.2317 9.2317 9.6943 9.6943 k = 0.0500 0.5000 0.2607 ( 23564 PWs) bands (ev): -15.6258 -15.6258 -15.6258 -15.6258 -10.4059 -10.4059 -10.4058 -10.4058 -9.8387 -9.8387 -9.8387 -9.8387 -4.3958 -4.3958 -4.3936 -4.3936 -3.0012 -3.0012 -2.9970 -2.9970 -2.9249 -2.9249 -2.9168 -2.9168 -0.0518 -0.0518 -0.0229 -0.0229 0.1501 0.1501 0.2000 0.2000 0.4007 0.4007 0.4129 0.4129 0.8102 0.8102 0.8126 0.8126 1.1350 1.1350 1.1458 1.1458 1.3401 1.3401 1.3620 1.3620 1.8699 1.8699 1.9144 1.9144 2.2510 2.2510 2.2562 2.2562 2.5443 2.5443 2.6132 2.6132 2.8686 2.8686 2.9073 2.9073 2.9968 2.9968 3.0090 3.0090 7.9962 7.9962 8.0049 8.0049 9.0913 9.0913 9.1194 9.1194 9.2202 9.2202 9.2322 9.2322 9.6949 9.6949 k = 0.0667 0.5000 0.2607 ( 23568 PWs) bands (ev): -15.6257 -15.6257 -15.6257 -15.6257 -10.4054 -10.4054 -10.4052 -10.4052 -9.8385 -9.8385 -9.8384 -9.8384 -4.3973 -4.3973 -4.3944 -4.3944 -3.0032 -3.0032 -2.9975 -2.9975 -2.9290 -2.9290 -2.9182 -2.9182 -0.0739 -0.0739 -0.0416 -0.0416 0.1516 0.1516 0.2105 0.2105 0.4005 0.4005 0.4154 0.4154 0.8194 0.8194 0.8226 0.8226 1.1365 1.1365 1.1517 1.1517 1.3397 1.3397 1.3681 1.3681 1.8587 1.8587 1.9169 1.9169 2.2516 2.2516 2.2584 2.2584 2.5217 2.5217 2.6020 2.6020 2.8835 2.8835 2.9210 2.9210 3.0063 3.0063 3.0261 3.0261 7.9965 7.9965 8.0079 8.0079 9.0636 9.0636 9.0944 9.0944 9.2244 9.2244 9.2361 9.2361 9.6885 9.6905 k = 0.0833 0.5000 0.2607 ( 23560 PWs) bands (ev): -15.6256 -15.6256 -15.6256 -15.6256 -10.4046 -10.4046 -10.4045 -10.4045 -9.8382 -9.8382 -9.8381 -9.8381 -4.3990 -4.3990 -4.3955 -4.3955 -3.0055 -3.0055 -2.9983 -2.9983 -2.9338 -2.9338 -2.9203 -2.9203 -0.0988 -0.0988 -0.0656 -0.0656 0.1556 0.1556 0.2201 0.2201 0.4009 0.4009 0.4177 0.4177 0.8307 0.8307 0.8347 0.8347 1.1386 1.1386 1.1588 1.1588 1.3403 1.3403 1.3746 1.3746 1.8467 1.8467 1.9176 1.9176 2.2523 2.2523 2.2605 2.2605 2.5011 2.5011 2.5883 2.5883 2.8960 2.8960 2.9286 2.9286 3.0236 3.0236 3.0514 3.0514 7.9970 7.9970 8.0111 8.0111 9.0327 9.0327 9.0644 9.0644 9.2330 9.2330 9.2435 9.2435 9.6781 9.6795 k = 0.1000 0.5000 0.2607 ( 23580 PWs) bands (ev): -15.6255 -15.6255 -15.6255 -15.6255 -10.4038 -10.4038 -10.4036 -10.4036 -9.8378 -9.8378 -9.8377 -9.8377 -4.4010 -4.4010 -4.3968 -4.3968 -3.0082 -3.0082 -2.9994 -2.9994 -2.9393 -2.9393 -2.9231 -2.9231 -0.1259 -0.1259 -0.0934 -0.0934 0.1613 0.1613 0.2289 0.2289 0.4019 0.4019 0.4197 0.4197 0.8438 0.8438 0.8482 0.8482 1.1413 1.1413 1.1671 1.1671 1.3419 1.3419 1.3814 1.3814 1.8339 1.8339 1.9164 1.9164 2.2530 2.2530 2.2622 2.2622 2.4836 2.4836 2.5742 2.5742 2.9031 2.9031 2.9308 2.9308 3.0498 3.0498 3.0832 3.0832 7.9975 7.9975 8.0141 8.0141 9.0008 9.0008 9.0324 9.0324 9.2442 9.2442 9.2535 9.2535 9.6661 9.6661 k = 0.1167 0.5000 0.2607 ( 23572 PWs) bands (ev): -15.6253 -15.6253 -15.6253 -15.6253 -10.4027 -10.4027 -10.4025 -10.4025 -9.8374 -9.8374 -9.8373 -9.8373 -4.4033 -4.4033 -4.3985 -4.3985 -3.0112 -3.0112 -3.0008 -3.0008 -2.9453 -2.9453 -2.9265 -2.9265 -0.1549 -0.1549 -0.1240 -0.1240 0.1680 0.1680 0.2370 0.2370 0.4034 0.4034 0.4214 0.4214 0.8580 0.8580 0.8629 0.8629 1.1443 1.1443 1.1767 1.1767 1.3446 1.3446 1.3883 1.3883 1.8205 1.8205 1.9133 1.9133 2.2535 2.2535 2.2630 2.2630 2.4701 2.4701 2.5611 2.5611 2.9048 2.9048 2.9293 2.9293 3.0833 3.0833 3.1195 3.1195 7.9979 7.9979 8.0168 8.0168 8.9693 8.9693 9.0003 9.0003 9.2562 9.2562 9.2652 9.2652 9.6515 9.6516 k = 0.1333 0.5000 0.2607 ( 23568 PWs) bands (ev): -15.6251 -15.6251 -15.6251 -15.6251 -10.4016 -10.4016 -10.4014 -10.4014 -9.8369 -9.8369 -9.8368 -9.8368 -4.4058 -4.4058 -4.4005 -4.4005 -3.0146 -3.0146 -3.0026 -3.0026 -2.9519 -2.9519 -2.9305 -2.9305 -0.1853 -0.1853 -0.1564 -0.1564 0.1754 0.1754 0.2447 0.2447 0.4053 0.4053 0.4228 0.4228 0.8732 0.8732 0.8782 0.8782 1.1474 1.1474 1.1874 1.1874 1.3483 1.3483 1.3951 1.3951 1.8064 1.8064 1.9080 1.9080 2.2538 2.2538 2.2627 2.2627 2.4612 2.4612 2.5497 2.5497 2.9026 2.9026 2.9254 2.9254 3.1220 3.1220 3.1585 3.1585 7.9980 7.9980 8.0190 8.0190 8.9390 8.9390 8.9692 8.9692 9.2672 9.2672 9.2769 9.2769 9.6375 9.6375 k = 0.1500 0.5000 0.2607 ( 23560 PWs) bands (ev): -15.6249 -15.6249 -15.6249 -15.6249 -10.4003 -10.4003 -10.4001 -10.4001 -9.8364 -9.8364 -9.8363 -9.8363 -4.4085 -4.4085 -4.4027 -4.4027 -3.0183 -3.0183 -3.0046 -3.0046 -2.9588 -2.9588 -2.9349 -2.9349 -0.2166 -0.2166 -0.1900 -0.1900 0.1833 0.1833 0.2520 0.2520 0.4074 0.4074 0.4241 0.4241 0.8888 0.8888 0.8937 0.8937 1.1507 1.1507 1.1993 1.1993 1.3530 1.3530 1.4018 1.4018 1.7918 1.7918 1.9009 1.9009 2.2536 2.2536 2.2613 2.2613 2.4569 2.4569 2.5407 2.5407 2.8977 2.8977 2.9197 2.9197 3.1640 3.1640 3.1994 3.1994 7.9975 7.9975 8.0203 8.0203 8.9104 8.9104 8.9396 8.9396 9.2750 9.2750 9.2869 9.2869 9.6262 9.6263 k = 0.1667 0.5000 0.2607 ( 23564 PWs) bands (ev): -15.6247 -15.6247 -15.6247 -15.6247 -10.3990 -10.3990 -10.3987 -10.3987 -9.8359 -9.8359 -9.8358 -9.8358 -4.4113 -4.4113 -4.4051 -4.4051 -3.0222 -3.0222 -3.0069 -3.0069 -2.9660 -2.9660 -2.9397 -2.9397 -0.2486 -0.2486 -0.2243 -0.2243 0.1917 0.1917 0.2591 0.2591 0.4097 0.4097 0.4250 0.4250 0.9046 0.9046 0.9091 0.9091 1.1539 1.1539 1.2120 1.2120 1.3586 1.3586 1.4082 1.4082 1.7769 1.7769 1.8919 1.8919 2.2531 2.2531 2.2590 2.2590 2.4569 2.4569 2.5341 2.5341 2.8909 2.8909 2.9125 2.9125 3.2080 3.2080 3.2415 3.2415 7.9964 7.9964 8.0206 8.0206 8.8836 8.8836 8.9117 8.9117 9.2776 9.2776 9.2930 9.2930 9.6207 9.6207 k = 0.1833 0.5000 0.2607 ( 23568 PWs) bands (ev): -15.6245 -15.6245 -15.6245 -15.6245 -10.3975 -10.3975 -10.3972 -10.3972 -9.8353 -9.8353 -9.8352 -9.8352 -4.4143 -4.4143 -4.4077 -4.4077 -3.0265 -3.0265 -3.0095 -3.0095 -2.9734 -2.9734 -2.9448 -2.9448 -0.2808 -0.2808 -0.2588 -0.2588 0.2004 0.2004 0.2662 0.2662 0.4122 0.4122 0.4258 0.4258 0.9202 0.9202 0.9241 0.9241 1.1569 1.1569 1.2253 1.2253 1.3653 1.3653 1.4143 1.4143 1.7620 1.7620 1.8814 1.8814 2.2523 2.2523 2.2562 2.2562 2.4606 2.4606 2.5301 2.5301 2.8828 2.8828 2.9042 2.9042 3.2532 3.2532 3.2843 3.2843 7.9945 7.9945 8.0198 8.0198 8.8585 8.8585 8.8852 8.8852 9.2734 9.2734 9.2932 9.2932 9.6237 9.6237 k = 0.2000 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6242 -15.6242 -15.6242 -15.6242 -10.3960 -10.3960 -10.3957 -10.3957 -9.8346 -9.8346 -9.8345 -9.8345 -4.4174 -4.4174 -4.4105 -4.4105 -3.0310 -3.0310 -3.0126 -3.0126 -2.9807 -2.9807 -2.9501 -2.9501 -0.3130 -0.3130 -0.2931 -0.2931 0.2094 0.2094 0.2732 0.2732 0.4147 0.4147 0.4265 0.4265 0.9353 0.9353 0.9384 0.9384 1.1597 1.1597 1.2389 1.2389 1.3728 1.3728 1.4202 1.4202 1.7471 1.7471 1.8696 1.8696 2.2512 2.2512 2.2534 2.2534 2.4672 2.4672 2.5285 2.5285 2.8736 2.8736 2.8949 2.8949 3.2990 3.2990 3.3276 3.3276 7.9918 7.9918 8.0178 8.0178 8.8349 8.8349 8.8600 8.8600 9.2626 9.2626 9.2866 9.2866 9.6369 9.6369 k = 0.2167 0.5000 0.2607 ( 23556 PWs) bands (ev): -15.6240 -15.6240 -15.6240 -15.6240 -10.3944 -10.3944 -10.3941 -10.3941 -9.8340 -9.8340 -9.8339 -9.8339 -4.4205 -4.4205 -4.4134 -4.4134 -3.0356 -3.0356 -3.0161 -3.0161 -2.9878 -2.9878 -2.9556 -2.9556 -0.3448 -0.3448 -0.3270 -0.3270 0.2186 0.2186 0.2803 0.2803 0.4172 0.4172 0.4270 0.4270 0.9496 0.9496 0.9519 0.9519 1.1622 1.1622 1.2523 1.2523 1.3812 1.3812 1.4258 1.4258 1.7328 1.7328 1.8570 1.8570 2.2500 2.2500 2.2510 2.2510 2.4760 2.4760 2.5290 2.5290 2.8636 2.8636 2.8848 2.8848 3.3450 3.3450 3.3709 3.3709 7.9884 7.9884 8.0147 8.0147 8.8123 8.8123 8.8357 8.8357 9.2466 9.2466 9.2741 9.2741 9.6603 9.6603 k = 0.2333 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6237 -15.6237 -15.6237 -15.6237 -10.3928 -10.3928 -10.3925 -10.3925 -9.8333 -9.8333 -9.8332 -9.8332 -4.4237 -4.4237 -4.4165 -4.4165 -3.0405 -3.0405 -3.0202 -3.0202 -2.9944 -2.9944 -2.9612 -2.9612 -0.3760 -0.3760 -0.3601 -0.3601 0.2282 0.2282 0.2873 0.2873 0.4197 0.4197 0.4274 0.4274 0.9630 0.9630 0.9644 0.9644 1.1644 1.1644 1.2649 1.2649 1.3904 1.3904 1.4316 1.4316 1.7191 1.7191 1.8439 1.8439 2.2488 2.2488 2.2490 2.2490 2.4863 2.4863 2.5313 2.5313 2.8530 2.8530 2.8739 2.8739 3.3907 3.3907 3.4140 3.4140 7.9842 7.9842 8.0104 8.0104 8.7901 8.7901 8.8116 8.8116 9.2276 9.2276 9.2577 9.2577 9.6927 9.6927 k = 0.2500 0.5000 0.2607 ( 23572 PWs) bands (ev): -15.6235 -15.6235 -15.6235 -15.6235 -10.3912 -10.3912 -10.3908 -10.3908 -9.8327 -9.8327 -9.8325 -9.8325 -4.4269 -4.4269 -4.4196 -4.4196 -3.0455 -3.0455 -3.0250 -3.0250 -3.0002 -3.0002 -2.9668 -2.9668 -0.4064 -0.4064 -0.3923 -0.3923 0.2380 0.2380 0.2944 0.2944 0.4222 0.4222 0.4276 0.4276 0.9752 0.9752 0.9759 0.9759 1.1663 1.1663 1.2759 1.2759 1.4003 1.4003 1.4378 1.4378 1.7065 1.7065 1.8306 1.8306 2.2477 2.2477 2.2478 2.2478 2.4976 2.4976 2.5351 2.5351 2.8420 2.8420 2.8625 2.8625 3.4359 3.4359 3.4565 3.4565 7.9793 7.9793 8.0052 8.0052 8.7679 8.7679 8.7873 8.7873 9.2076 9.2076 9.2394 9.2394 9.7325 9.7325 k = 0.2667 0.5000 0.2607 ( 23584 PWs) bands (ev): -15.6232 -15.6232 -15.6232 -15.6232 -10.3895 -10.3895 -10.3892 -10.3892 -9.8320 -9.8320 -9.8319 -9.8319 -4.4300 -4.4300 -4.4228 -4.4228 -3.0506 -3.0506 -3.0305 -3.0305 -3.0052 -3.0052 -2.9723 -2.9723 -0.4357 -0.4357 -0.4232 -0.4232 0.2479 0.2479 0.3014 0.3014 0.4246 0.4246 0.4278 0.4278 0.9860 0.9860 0.9863 0.9863 1.1680 1.1680 1.2846 1.2846 1.4108 1.4108 1.4449 1.4449 1.6951 1.6951 1.8176 1.8176 2.2469 2.2469 2.2470 2.2470 2.5094 2.5094 2.5401 2.5401 2.8307 2.8307 2.8506 2.8506 3.4800 3.4800 3.4983 3.4983 7.9740 7.9740 7.9991 7.9991 8.7453 8.7453 8.7626 8.7626 9.1884 9.1884 9.2211 9.2211 9.7783 9.7783 k = 0.2833 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6230 -15.6230 -15.6230 -15.6230 -10.3879 -10.3879 -10.3876 -10.3876 -9.8313 -9.8313 -9.8312 -9.8312 -4.4331 -4.4331 -4.4260 -4.4260 -3.0557 -3.0557 -3.0367 -3.0367 -3.0094 -3.0094 -2.9777 -2.9777 -0.4637 -0.4637 -0.4527 -0.4527 0.2581 0.2581 0.3084 0.3084 0.4269 0.4269 0.4280 0.4280 0.9952 0.9952 0.9956 0.9956 1.1697 1.1697 1.2903 1.2903 1.4219 1.4219 1.4534 1.4534 1.6853 1.6853 1.8049 1.8049 2.2465 2.2465 2.2468 2.2468 2.5214 2.5214 2.5459 2.5459 2.8192 2.8192 2.8384 2.8384 3.5229 3.5229 3.5389 3.5389 7.9683 7.9683 7.9924 7.9924 8.7221 8.7221 8.7372 8.7372 9.1712 9.1712 9.2039 9.2039 9.8286 9.8286 k = 0.3000 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6227 -15.6227 -15.6227 -15.6227 -10.3863 -10.3863 -10.3860 -10.3860 -9.8307 -9.8307 -9.8306 -9.8306 -4.4361 -4.4361 -4.4291 -4.4291 -3.0607 -3.0607 -3.0432 -3.0432 -3.0129 -3.0129 -2.9829 -2.9829 -0.4902 -0.4902 -0.4806 -0.4806 0.2683 0.2683 0.3152 0.3152 0.4280 0.4280 0.4292 0.4292 1.0029 1.0029 1.0037 1.0037 1.1713 1.1713 1.2926 1.2926 1.4334 1.4334 1.4634 1.4634 1.6770 1.6770 1.7929 1.7929 2.2463 2.2463 2.2470 2.2470 2.5333 2.5333 2.5523 2.5523 2.8079 2.8079 2.8260 2.8260 3.5643 3.5643 3.5781 3.5781 7.9625 7.9625 7.9853 7.9853 8.6982 8.6982 8.7111 8.7111 9.1564 9.1564 9.1887 9.1887 9.8824 9.8824 k = 0.3167 0.5000 0.2607 ( 23584 PWs) bands (ev): -15.6225 -15.6225 -15.6225 -15.6225 -10.3847 -10.3847 -10.3844 -10.3844 -9.8301 -9.8301 -9.8300 -9.8300 -4.4390 -4.4390 -4.4322 -4.4322 -3.0656 -3.0656 -3.0498 -3.0498 -3.0158 -3.0158 -2.9880 -2.9880 -0.5151 -0.5151 -0.5068 -0.5068 0.2785 0.2785 0.3218 0.3218 0.4281 0.4281 0.4313 0.4313 1.0089 1.0089 1.0106 1.0106 1.1731 1.1731 1.2917 1.2917 1.4451 1.4451 1.4748 1.4748 1.6705 1.6705 1.7817 1.7817 2.2464 2.2464 2.2477 2.2477 2.5447 2.5447 2.5590 2.5590 2.7967 2.7967 2.8136 2.8136 3.6037 3.6037 3.6157 3.6157 7.9566 7.9566 7.9780 7.9780 8.6738 8.6738 8.6846 8.6846 9.1445 9.1445 9.1758 9.1758 9.9385 9.9385 k = 0.3333 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.3833 -10.3833 -10.3830 -10.3830 -9.8295 -9.8295 -9.8294 -9.8294 -4.4416 -4.4416 -4.4352 -4.4352 -3.0703 -3.0703 -3.0563 -3.0563 -3.0183 -3.0183 -2.9928 -2.9928 -0.5383 -0.5383 -0.5311 -0.5311 0.2887 0.2887 0.3281 0.3281 0.4281 0.4281 0.4333 0.4333 1.0134 1.0134 1.0164 1.0164 1.1750 1.1750 1.2878 1.2878 1.4569 1.4569 1.4871 1.4871 1.6656 1.6656 1.7713 1.7713 2.2468 2.2468 2.2487 2.2487 2.5556 2.5556 2.5657 2.5657 2.7858 2.7858 2.8015 2.8015 3.6410 3.6410 3.6512 3.6512 7.9508 7.9508 7.9707 7.9707 8.6493 8.6493 8.6582 8.6582 9.1352 9.1352 9.1652 9.1652 9.9960 9.9960 k = 0.3500 0.5000 0.2607 ( 23604 PWs) bands (ev): -15.6220 -15.6220 -15.6220 -15.6220 -10.3819 -10.3819 -10.3816 -10.3816 -9.8289 -9.8289 -9.8288 -9.8288 -4.4441 -4.4441 -4.4381 -4.4381 -3.0748 -3.0748 -3.0625 -3.0625 -3.0204 -3.0204 -2.9974 -2.9974 -0.5596 -0.5596 -0.5534 -0.5534 0.2987 0.2987 0.3341 0.3341 0.4282 0.4282 0.4350 0.4350 1.0165 1.0165 1.0211 1.0211 1.1773 1.1773 1.2818 1.2818 1.4687 1.4687 1.4997 1.4997 1.6624 1.6624 1.7617 1.7617 2.2474 2.2474 2.2498 2.2498 2.5657 2.5657 2.5723 2.5723 2.7756 2.7756 2.7896 2.7896 3.6757 3.6757 3.6844 3.6844 7.9453 7.9453 7.9635 7.9635 8.6251 8.6251 8.6322 8.6322 9.1285 9.1285 9.1566 9.1566 10.0537 10.0537 k = 0.3667 0.5000 0.2607 ( 23600 PWs) bands (ev): -15.6218 -15.6218 -15.6218 -15.6218 -10.3806 -10.3806 -10.3803 -10.3803 -9.8284 -9.8284 -9.8283 -9.8283 -4.4463 -4.4463 -4.4408 -4.4408 -3.0790 -3.0790 -3.0684 -3.0684 -3.0222 -3.0222 -3.0016 -3.0016 -0.5789 -0.5789 -0.5736 -0.5736 0.3084 0.3084 0.3396 0.3396 0.4283 0.4283 0.4365 0.4365 1.0184 1.0184 1.0246 1.0246 1.1799 1.1799 1.2742 1.2742 1.4802 1.4802 1.5118 1.5118 1.6609 1.6609 1.7529 1.7529 2.2483 2.2483 2.2509 2.2509 2.5749 2.5749 2.5786 2.5786 2.7660 2.7660 2.7784 2.7784 3.7078 3.7078 3.7150 3.7150 7.9402 7.9402 7.9566 7.9566 8.6017 8.6017 8.6074 8.6074 9.1238 9.1238 9.1499 9.1499 10.1104 10.1104 k = 0.3833 0.5000 0.2607 ( 23600 PWs) bands (ev): -15.6216 -15.6216 -15.6216 -15.6216 -10.3794 -10.3794 -10.3792 -10.3792 -9.8279 -9.8279 -9.8278 -9.8278 -4.4483 -4.4483 -4.4434 -4.4434 -3.0828 -3.0828 -3.0737 -3.0737 -3.0236 -3.0236 -3.0056 -3.0056 -0.5961 -0.5961 -0.5917 -0.5917 0.3177 0.3177 0.3446 0.3446 0.4284 0.4284 0.4376 0.4376 1.0195 1.0195 1.0271 1.0271 1.1828 1.1828 1.2657 1.2657 1.4913 1.4913 1.5229 1.5229 1.6610 1.6610 1.7449 1.7449 2.2493 2.2493 2.2521 2.2521 2.5831 2.5831 2.5845 2.5845 2.7572 2.7572 2.7679 2.7679 3.7367 3.7367 3.7427 3.7427 7.9357 7.9357 7.9502 7.9502 8.5797 8.5797 8.5841 8.5841 9.1210 9.1210 9.1446 9.1446 10.1649 10.1649 k = 0.4000 0.5000 0.2607 ( 23580 PWs) bands (ev): -15.6215 -15.6215 -15.6215 -15.6215 -10.3783 -10.3783 -10.3781 -10.3781 -9.8275 -9.8275 -9.8274 -9.8274 -4.4501 -4.4501 -4.4457 -4.4457 -3.0861 -3.0861 -3.0786 -3.0786 -3.0246 -3.0246 -3.0093 -3.0093 -0.6111 -0.6111 -0.6075 -0.6075 0.3264 0.3264 0.3490 0.3490 0.4287 0.4287 0.4384 0.4384 1.0200 1.0200 1.0285 1.0285 1.1860 1.1860 1.2568 1.2568 1.5019 1.5019 1.5324 1.5324 1.6628 1.6628 1.7374 1.7374 2.2503 2.2503 2.2532 2.2532 2.5898 2.5898 2.5901 2.5901 2.7495 2.7495 2.7583 2.7583 3.7625 3.7625 3.7673 3.7673 7.9317 7.9317 7.9442 7.9442 8.5595 8.5595 8.5628 8.5628 9.1196 9.1196 9.1404 9.1404 10.2156 10.2156 k = 0.4167 0.5000 0.2607 ( 23584 PWs) bands (ev): -15.6213 -15.6213 -15.6213 -15.6213 -10.3774 -10.3774 -10.3772 -10.3772 -9.8271 -9.8271 -9.8270 -9.8270 -4.4515 -4.4515 -4.4478 -4.4478 -3.0890 -3.0890 -3.0829 -3.0829 -3.0254 -3.0254 -3.0126 -3.0126 -0.6240 -0.6240 -0.6211 -0.6211 0.3344 0.3344 0.3527 0.3527 0.4292 0.4292 0.4387 0.4387 1.0202 1.0202 1.0290 1.0290 1.1895 1.1895 1.2480 1.2480 1.5117 1.5117 1.5398 1.5398 1.6661 1.6661 1.7303 1.7303 2.2514 2.2514 2.2541 2.2541 2.5945 2.5945 2.5959 2.5959 2.7428 2.7428 2.7499 2.7499 3.7847 3.7847 3.7885 3.7885 7.9284 7.9284 7.9389 7.9389 8.5416 8.5416 8.5441 8.5441 9.1192 9.1192 9.1370 9.1370 10.2611 10.2611 k = 0.4333 0.5000 0.2607 ( 23588 PWs) bands (ev): -15.6212 -15.6212 -15.6212 -15.6212 -10.3766 -10.3766 -10.3765 -10.3765 -9.8268 -9.8268 -9.8267 -9.8267 -4.4526 -4.4526 -4.4496 -4.4496 -3.0913 -3.0913 -3.0865 -3.0865 -3.0257 -3.0257 -3.0155 -3.0155 -0.6345 -0.6345 -0.6322 -0.6322 0.3415 0.3415 0.3557 0.3557 0.4298 0.4298 0.4386 0.4386 1.0203 1.0203 1.0287 1.0287 1.1933 1.1933 1.2395 1.2395 1.5206 1.5206 1.5451 1.5451 1.6708 1.6708 1.7235 1.7235 2.2525 2.2525 2.2549 2.2549 2.5985 2.5985 2.6005 2.6005 2.7374 2.7374 2.7427 2.7427 3.8032 3.8032 3.8061 3.8061 7.9258 7.9258 7.9343 7.9343 8.5265 8.5265 8.5283 8.5283 9.1197 9.1197 9.1343 9.1343 10.2995 10.2995 k = 0.4500 0.5000 0.2607 ( 23588 PWs) bands (ev): -15.6211 -15.6211 -15.6211 -15.6211 -10.3760 -10.3760 -10.3759 -10.3759 -9.8266 -9.8266 -9.8265 -9.8265 -4.4534 -4.4534 -4.4511 -4.4511 -3.0930 -3.0930 -3.0895 -3.0895 -3.0258 -3.0258 -3.0181 -3.0181 -0.6427 -0.6427 -0.6410 -0.6410 0.3475 0.3475 0.3578 0.3578 0.4307 0.4307 0.4381 0.4381 1.0207 1.0207 1.0279 1.0279 1.1974 1.1974 1.2317 1.2317 1.5286 1.5286 1.5480 1.5480 1.6765 1.6765 1.7168 1.7168 2.2535 2.2535 2.2554 2.2554 2.6018 2.6018 2.6038 2.6038 2.7332 2.7332 2.7370 2.7370 3.8178 3.8178 3.8199 3.8199 7.9240 7.9240 7.9304 7.9304 8.5144 8.5144 8.5156 8.5156 9.1208 9.1208 9.1319 9.1319 10.3287 10.3287 k = 0.4667 0.5000 0.2607 ( 23564 PWs) bands (ev): -15.6211 -15.6211 -15.6211 -15.6211 -10.3756 -10.3756 -10.3755 -10.3755 -9.8264 -9.8264 -9.8263 -9.8263 -4.4538 -4.4538 -4.4523 -4.4523 -3.0941 -3.0941 -3.0918 -3.0918 -3.0254 -3.0254 -3.0203 -3.0203 -0.6485 -0.6485 -0.6474 -0.6474 0.3523 0.3523 0.3590 0.3590 0.4319 0.4319 0.4371 0.4371 1.0213 1.0213 1.0266 1.0266 1.2018 1.2018 1.2244 1.2244 1.5354 1.5354 1.5489 1.5489 1.6829 1.6829 1.7102 1.7102 2.2543 2.2543 2.2557 2.2557 2.6043 2.6043 2.6059 2.6059 2.7303 2.7303 2.7327 2.7327 3.8285 3.8285 3.8298 3.8298 7.9230 7.9230 7.9273 7.9273 8.5056 8.5056 8.5064 8.5064 9.1222 9.1222 9.1297 9.1297 10.3461 10.3462 k = 0.4833 0.5000 0.2607 ( 23576 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3753 -10.3753 -10.3753 -10.3753 -9.8263 -9.8263 -9.8263 -9.8263 -4.4539 -4.4539 -4.4532 -4.4532 -3.0945 -3.0945 -3.0934 -3.0934 -3.0247 -3.0247 -3.0222 -3.0222 -0.6519 -0.6519 -0.6513 -0.6513 0.3558 0.3558 0.3591 0.3591 0.4332 0.4332 0.4359 0.4359 1.0223 1.0223 1.0251 1.0251 1.2067 1.2067 1.2179 1.2179 1.5410 1.5410 1.5479 1.5479 1.6897 1.6897 1.7034 1.7034 2.2550 2.2550 2.2557 2.2557 2.6061 2.6061 2.6070 2.6070 2.7288 2.7288 2.7299 2.7299 3.8350 3.8350 3.8357 3.8357 7.9228 7.9228 7.9250 7.9250 8.5004 8.5004 8.5007 8.5007 9.1239 9.1239 9.1277 9.1277 10.3532 10.3541 k = 0.5000 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4537 -4.4537 -4.4537 -4.4537 -3.0943 -3.0943 -3.0943 -3.0943 -3.0236 -3.0236 -3.0236 -3.0236 -0.6528 -0.6528 -0.6528 -0.6528 0.3581 0.3581 0.3581 0.3581 0.4346 0.4346 0.4346 0.4346 1.0236 1.0236 1.0236 1.0236 1.2120 1.2120 1.2120 1.2120 1.5452 1.5452 1.5452 1.5452 1.6966 1.6966 1.6966 1.6966 2.2555 2.2555 2.2555 2.2555 2.6070 2.6070 2.6070 2.6070 2.7286 2.7286 2.7286 2.7286 3.8374 3.8374 3.8374 3.8374 7.9235 7.9235 7.9235 7.9235 8.4987 8.4987 8.4987 8.4987 9.1258 9.1258 9.1258 9.1258 10.3554 10.3554 k = 0.5000 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4537 -4.4537 -4.4537 -4.4537 -3.0943 -3.0943 -3.0943 -3.0943 -3.0236 -3.0236 -3.0236 -3.0236 -0.6528 -0.6528 -0.6528 -0.6528 0.3581 0.3581 0.3581 0.3581 0.4346 0.4346 0.4346 0.4346 1.0236 1.0236 1.0236 1.0236 1.2120 1.2120 1.2120 1.2120 1.5452 1.5452 1.5452 1.5452 1.6966 1.6966 1.6966 1.6966 2.2555 2.2555 2.2555 2.2555 2.6070 2.6070 2.6070 2.6070 2.7286 2.7286 2.7286 2.7286 3.8374 3.8374 3.8374 3.8374 7.9235 7.9235 7.9235 7.9235 8.4987 8.4987 8.4987 8.4987 9.1258 9.1258 9.1258 9.1258 10.3554 10.3554 k = 0.4881 0.4881 0.2607 ( 23578 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3756 -10.3756 -10.3749 -10.3749 -9.8263 -9.8263 -9.8262 -9.8262 -4.4539 -4.4539 -4.4532 -4.4532 -3.0945 -3.0945 -3.0934 -3.0934 -3.0247 -3.0247 -3.0221 -3.0221 -0.6524 -0.6524 -0.6507 -0.6507 0.3558 0.3558 0.3591 0.3591 0.4331 0.4331 0.4360 0.4360 1.0223 1.0223 1.0251 1.0251 1.2066 1.2066 1.2180 1.2180 1.5408 1.5408 1.5481 1.5481 1.6896 1.6896 1.7035 1.7035 2.2550 2.2550 2.2557 2.2557 2.6060 2.6060 2.6070 2.6070 2.7285 2.7285 2.7302 2.7302 3.8338 3.8338 3.8369 3.8369 7.9228 7.9228 7.9250 7.9250 8.4980 8.4980 8.5032 8.5032 9.1239 9.1239 9.1277 9.1277 10.3530 10.3533 k = 0.4762 0.4762 0.2607 ( 23580 PWs) bands (ev): -15.6211 -15.6211 -15.6210 -15.6210 -10.3769 -10.3769 -10.3742 -10.3742 -9.8265 -9.8265 -9.8262 -9.8262 -4.4538 -4.4538 -4.4523 -4.4523 -3.0941 -3.0941 -3.0917 -3.0917 -3.0254 -3.0254 -3.0203 -3.0203 -0.6510 -0.6510 -0.6446 -0.6446 0.3523 0.3523 0.3589 0.3589 0.4314 0.4314 0.4376 0.4376 1.0210 1.0210 1.0270 1.0270 1.2018 1.2018 1.2245 1.2245 1.5342 1.5342 1.5501 1.5501 1.6829 1.6829 1.7100 1.7100 2.2543 2.2543 2.2557 2.2557 2.6037 2.6037 2.6064 2.6064 2.7288 2.7288 2.7344 2.7344 3.8230 3.8230 3.8350 3.8350 7.9229 7.9229 7.9273 7.9273 8.4960 8.4960 8.5166 8.5166 9.1221 9.1221 9.1298 9.1298 10.3431 10.3432 k = 0.4643 0.4643 0.2607 ( 23584 PWs) bands (ev): -15.6212 -15.6212 -15.6211 -15.6211 -10.3791 -10.3791 -10.3729 -10.3729 -9.8268 -9.8268 -9.8263 -9.8263 -4.4534 -4.4534 -4.4510 -4.4510 -3.0932 -3.0932 -3.0892 -3.0892 -3.0258 -3.0258 -3.0180 -3.0180 -0.6487 -0.6487 -0.6345 -0.6345 0.3475 0.3475 0.3575 0.3575 0.4294 0.4294 0.4393 0.4393 1.0196 1.0196 1.0293 1.0293 1.1975 1.1975 1.2317 1.2317 1.5250 1.5250 1.5517 1.5517 1.6767 1.6767 1.7161 1.7161 2.2535 2.2535 2.2554 2.2554 2.6001 2.6001 2.6052 2.6052 2.7293 2.7293 2.7413 2.7413 3.8054 3.8054 3.8319 3.8319 7.9235 7.9235 7.9301 7.9301 8.4932 8.4932 8.5385 8.5385 9.1205 9.1205 9.1319 9.1319 10.3154 10.3154 k = 0.4524 0.4524 0.2607 ( 23600 PWs) bands (ev): -15.6213 -15.6213 -15.6212 -15.6212 -10.3821 -10.3821 -10.3711 -10.3711 -9.8272 -9.8272 -9.8263 -9.8263 -4.4526 -4.4526 -4.4495 -4.4495 -3.0917 -3.0917 -3.0859 -3.0859 -3.0257 -3.0257 -3.0154 -3.0154 -0.6455 -0.6455 -0.6204 -0.6204 0.3416 0.3416 0.3552 0.3552 0.4268 0.4268 0.4413 0.4413 1.0181 1.0181 1.0319 1.0319 1.1937 1.1937 1.2394 1.2394 1.5131 1.5131 1.5534 1.5534 1.6711 1.6711 1.7216 1.7216 2.2526 2.2526 2.2550 2.2550 2.5948 2.5948 2.6036 2.6036 2.7301 2.7301 2.7510 2.7510 3.7812 3.7812 3.8276 3.8276 7.9245 7.9245 7.9330 7.9330 8.4907 8.4907 8.5685 8.5685 9.1189 9.1189 9.1342 9.1342 10.2685 10.2685 k = 0.4405 0.4405 0.2607 ( 23588 PWs) bands (ev): -15.6215 -15.6215 -15.6212 -15.6212 -10.3859 -10.3859 -10.3688 -10.3688 -9.8278 -9.8278 -9.8264 -9.8264 -4.4515 -4.4515 -4.4476 -4.4476 -3.0899 -3.0899 -3.0818 -3.0818 -3.0253 -3.0253 -3.0124 -3.0124 -0.6414 -0.6414 -0.6024 -0.6024 0.3346 0.3346 0.3519 0.3519 0.4237 0.4237 0.4436 0.4436 1.0165 1.0165 1.0349 1.0349 1.1903 1.1903 1.2476 1.2476 1.4987 1.4987 1.5553 1.5553 1.6664 1.6664 1.7262 1.7262 2.2517 2.2517 2.2544 2.2544 2.5880 2.5880 2.6015 2.6015 2.7311 2.7311 2.7633 2.7633 3.7510 3.7510 3.8221 3.8221 7.9251 7.9251 7.9357 7.9357 8.4893 8.4893 8.6059 8.6059 9.1173 9.1173 9.1366 9.1366 10.2078 10.2078 k = 0.4286 0.4286 0.2607 ( 23596 PWs) bands (ev): -15.6217 -15.6217 -15.6213 -15.6213 -10.3906 -10.3906 -10.3660 -10.3660 -9.8285 -9.8285 -9.8264 -9.8264 -4.4501 -4.4501 -4.4455 -4.4455 -3.0877 -3.0877 -3.0769 -3.0769 -3.0245 -3.0245 -3.0091 -3.0091 -0.6363 -0.6363 -0.5805 -0.5805 0.3264 0.3264 0.3479 0.3479 0.4200 0.4200 0.4460 0.4460 1.0148 1.0148 1.0381 1.0381 1.1872 1.1872 1.2561 1.2561 1.4820 1.4820 1.5575 1.5575 1.6624 1.6624 1.7301 1.7301 2.2508 2.2508 2.2540 2.2540 2.5797 2.5797 2.5989 2.5989 2.7324 2.7324 2.7781 2.7781 3.7154 3.7154 3.8154 3.8154 7.9245 7.9245 7.9380 7.9380 8.4904 8.4904 8.6498 8.6498 9.1155 9.1155 9.1389 9.1389 10.1372 10.1372 k = 0.4167 0.4167 0.2607 ( 23586 PWs) bands (ev): -15.6219 -15.6219 -15.6215 -15.6215 -10.3960 -10.3960 -10.3628 -10.3628 -9.8292 -9.8292 -9.8264 -9.8264 -4.4485 -4.4485 -4.4431 -4.4431 -3.0852 -3.0852 -3.0713 -3.0713 -3.0233 -3.0233 -3.0055 -3.0055 -0.6304 -0.6304 -0.5549 -0.5549 0.3172 0.3172 0.3433 0.3433 0.4157 0.4157 0.4485 0.4485 1.0130 1.0130 1.0413 1.0413 1.1845 1.1845 1.2648 1.2648 1.4637 1.4637 1.5601 1.5601 1.6594 1.6594 1.7331 1.7331 2.2499 2.2499 2.2538 2.2538 2.5702 2.5702 2.5958 2.5958 2.7339 2.7339 2.7950 2.7950 3.6752 3.6752 3.8076 3.8076 7.9209 7.9209 7.9406 7.9406 8.4949 8.4949 8.6992 8.6992 9.1135 9.1135 9.1406 9.1406 10.0598 10.0598 k = 0.4048 0.4048 0.2607 ( 23574 PWs) bands (ev): -15.6221 -15.6221 -15.6216 -15.6216 -10.4021 -10.4021 -10.3591 -10.3591 -9.8301 -9.8301 -9.8265 -9.8265 -4.4467 -4.4467 -4.4405 -4.4405 -3.0825 -3.0825 -3.0650 -3.0650 -3.0218 -3.0218 -3.0016 -3.0016 -0.6236 -0.6236 -0.5256 -0.5256 0.3070 0.3070 0.3383 0.3383 0.4107 0.4107 0.4512 0.4512 1.0114 1.0114 1.0445 1.0445 1.1820 1.1820 1.2732 1.2732 1.4444 1.4444 1.5632 1.5632 1.6573 1.6573 1.7353 1.7353 2.2489 2.2489 2.2542 2.2542 2.5598 2.5598 2.5922 2.5922 2.7358 2.7358 2.8137 2.8137 3.6309 3.6309 3.7987 3.7987 7.9129 7.9129 7.9436 7.9436 8.5036 8.5036 8.7530 8.7530 9.1106 9.1106 9.1410 9.1410 9.9789 9.9789 k = 0.3929 0.3929 0.2607 ( 23576 PWs) bands (ev): -15.6224 -15.6224 -15.6218 -15.6218 -10.4089 -10.4089 -10.3549 -10.3549 -9.8310 -9.8310 -9.8265 -9.8265 -4.4446 -4.4446 -4.4377 -4.4377 -3.0796 -3.0796 -3.0581 -3.0581 -3.0200 -3.0200 -2.9974 -2.9974 -0.6159 -0.6159 -0.4929 -0.4929 0.2957 0.2957 0.3331 0.3331 0.4052 0.4052 0.4539 0.4539 1.0099 1.0099 1.0473 1.0473 1.1798 1.1798 1.2806 1.2806 1.4250 1.4250 1.5667 1.5667 1.6563 1.6563 1.7366 1.7366 2.2478 2.2478 2.2556 2.2556 2.5487 2.5487 2.5880 2.5880 2.7380 2.7380 2.8338 2.8338 3.5835 3.5835 3.7887 3.7887 7.8999 7.8999 7.9471 7.9471 8.5169 8.5169 8.8099 8.8099 9.1066 9.1066 9.1389 9.1389 9.8979 9.8979 k = 0.3810 0.3810 0.2607 ( 23556 PWs) bands (ev): -15.6228 -15.6228 -15.6219 -15.6219 -10.4163 -10.4163 -10.3503 -10.3503 -9.8319 -9.8319 -9.8265 -9.8265 -4.4425 -4.4425 -4.4347 -4.4347 -3.0767 -3.0767 -3.0506 -3.0506 -3.0178 -3.0178 -2.9930 -2.9930 -0.6074 -0.6074 -0.4568 -0.4568 0.2834 0.2834 0.3277 0.3277 0.3991 0.3991 0.4568 0.4568 1.0088 1.0088 1.0498 1.0498 1.1777 1.1777 1.2861 1.2861 1.4068 1.4068 1.5707 1.5707 1.6565 1.6565 1.7370 1.7370 2.2466 2.2466 2.2580 2.2580 2.5374 2.5374 2.5832 2.5832 2.7406 2.7406 2.8550 2.8550 3.5337 3.5337 3.7777 3.7777 7.8816 7.8816 7.9505 7.9505 8.5346 8.5346 8.8684 8.8684 9.1001 9.1001 9.1330 9.1330 9.8213 9.8213 k = 0.3690 0.3690 0.2607 ( 23562 PWs) bands (ev): -15.6231 -15.6231 -15.6221 -15.6221 -10.4243 -10.4243 -10.3454 -10.3454 -9.8330 -9.8330 -9.8265 -9.8265 -4.4402 -4.4402 -4.4315 -4.4315 -3.0738 -3.0738 -3.0427 -3.0427 -3.0153 -3.0153 -2.9885 -2.9885 -0.5981 -0.5981 -0.4176 -0.4176 0.2701 0.2701 0.3224 0.3224 0.3924 0.3924 0.4596 0.4596 1.0081 1.0081 1.0517 1.0517 1.1756 1.1756 1.2880 1.2880 1.3918 1.3918 1.5749 1.5749 1.6583 1.6583 1.7366 1.7366 2.2456 2.2456 2.2616 2.2616 2.5260 2.5260 2.5777 2.5777 2.7436 2.7436 2.8770 2.8770 3.4823 3.4823 3.7657 3.7657 7.8581 7.8581 7.9534 7.9534 8.5561 8.5561 8.9263 8.9263 9.0888 9.0888 9.1231 9.1231 9.7539 9.7539 k = 0.3571 0.3571 0.2607 ( 23582 PWs) bands (ev): -15.6235 -15.6235 -15.6223 -15.6223 -10.4328 -10.4328 -10.3401 -10.3401 -9.8340 -9.8340 -9.8264 -9.8264 -4.4378 -4.4378 -4.4283 -4.4283 -3.0708 -3.0708 -3.0345 -3.0345 -3.0125 -3.0125 -2.9839 -2.9839 -0.5880 -0.5880 -0.3754 -0.3754 0.2557 0.2557 0.3172 0.3172 0.3853 0.3853 0.4626 0.4626 1.0081 1.0081 1.0528 1.0528 1.1734 1.1734 1.2841 1.2841 1.3823 1.3823 1.5791 1.5791 1.6618 1.6618 1.7355 1.7355 2.2447 2.2447 2.2664 2.2664 2.5150 2.5150 2.5714 2.5714 2.7470 2.7470 2.8995 2.8995 3.4300 3.4300 3.7527 3.7527 7.8295 7.8295 7.9553 7.9553 8.5804 8.5804 8.9780 8.9780 9.0705 9.0705 9.1116 9.1116 9.7006 9.7006 k = 0.3452 0.3452 0.2607 ( 23582 PWs) bands (ev): -15.6239 -15.6239 -15.6226 -15.6226 -10.4418 -10.4418 -10.3344 -10.3344 -9.8351 -9.8351 -9.8263 -9.8263 -4.4355 -4.4355 -4.4249 -4.4249 -3.0680 -3.0680 -3.0259 -3.0259 -3.0095 -3.0095 -2.9793 -2.9793 -0.5772 -0.5772 -0.3306 -0.3306 0.2404 0.2404 0.3123 0.3123 0.3778 0.3778 0.4655 0.4655 1.0089 1.0089 1.0531 1.0531 1.1708 1.1708 1.2742 1.2742 1.3792 1.3792 1.5831 1.5831 1.6674 1.6674 1.7340 1.7340 2.2442 2.2442 2.2724 2.2724 2.5045 2.5045 2.5644 2.5644 2.7509 2.7509 2.9221 2.9221 3.3777 3.3777 3.7389 3.7389 7.7962 7.7962 7.9552 7.9552 8.6063 8.6063 8.9921 8.9921 9.0704 9.0704 9.1012 9.1012 9.6646 9.6646 k = 0.3333 0.3333 0.2607 ( 23586 PWs) bands (ev): -15.6244 -15.6244 -15.6228 -15.6228 -10.4513 -10.4513 -10.3284 -10.3284 -9.8361 -9.8361 -9.8262 -9.8262 -4.4331 -4.4331 -4.4215 -4.4215 -3.0652 -3.0652 -3.0173 -3.0173 -3.0062 -3.0062 -2.9748 -2.9748 -0.5657 -0.5657 -0.2834 -0.2834 0.2242 0.2242 0.3076 0.3076 0.3700 0.3700 0.4686 0.4686 1.0105 1.0105 1.0523 1.0523 1.1676 1.1676 1.2600 1.2600 1.3813 1.3813 1.5866 1.5866 1.6750 1.6750 1.7325 1.7325 2.2439 2.2439 2.2796 2.2796 2.4949 2.4949 2.5565 2.5565 2.7552 2.7552 2.9448 2.9448 3.3261 3.3261 3.7241 3.7241 7.7583 7.7583 7.9522 7.9522 8.6325 8.6325 8.9474 8.9474 9.0881 9.0881 9.1125 9.1125 9.6464 9.6464 k = 0.3214 0.3214 0.2607 ( 23584 PWs) bands (ev): -15.6248 -15.6248 -15.6230 -15.6230 -10.4611 -10.4611 -10.3221 -10.3221 -9.8371 -9.8371 -9.8260 -9.8260 -4.4309 -4.4309 -4.4180 -4.4180 -3.0626 -3.0626 -3.0085 -3.0085 -3.0027 -3.0027 -2.9703 -2.9703 -0.5536 -0.5536 -0.2342 -0.2342 0.2071 0.2071 0.3032 0.3032 0.3619 0.3619 0.4717 0.4717 1.0132 1.0132 1.0503 1.0503 1.1631 1.1631 1.2447 1.2447 1.3866 1.3866 1.5897 1.5897 1.6836 1.6836 1.7319 1.7319 2.2441 2.2441 2.2877 2.2877 2.4863 2.4863 2.5479 2.5479 2.7601 2.7601 2.9671 2.9671 3.2759 3.2759 3.7086 3.7086 7.7162 7.7162 7.9449 7.9449 8.6572 8.6572 8.8834 8.8834 9.0765 9.0765 9.1550 9.1550 9.6433 9.6433 k = 0.3095 0.3095 0.2607 ( 23584 PWs) bands (ev): -15.6253 -15.6253 -15.6233 -15.6233 -10.4711 -10.4711 -10.3156 -10.3156 -9.8382 -9.8382 -9.8257 -9.8257 -4.4287 -4.4287 -4.4145 -4.4145 -3.0601 -3.0601 -2.9999 -2.9999 -2.9990 -2.9990 -2.9660 -2.9660 -0.5410 -0.5410 -0.1833 -0.1833 0.1893 0.1893 0.2993 0.2993 0.3536 0.3536 0.4748 0.4748 1.0169 1.0169 1.0468 1.0468 1.1564 1.1564 1.2310 1.2310 1.3936 1.3936 1.5924 1.5924 1.6911 1.6911 1.7346 1.7346 2.2449 2.2449 2.2964 2.2964 2.4790 2.4790 2.5386 2.5386 2.7654 2.7654 2.9890 2.9890 3.2277 3.2277 3.6922 3.6922 7.6700 7.6700 7.9316 7.9316 8.6774 8.6774 8.8151 8.8151 9.0620 9.0620 9.1916 9.1916 9.6516 9.6516 k = 0.2976 0.2976 0.2607 ( 23606 PWs) bands (ev): -15.6258 -15.6258 -15.6236 -15.6236 -10.4815 -10.4815 -10.3089 -10.3089 -9.8391 -9.8391 -9.8254 -9.8254 -4.4266 -4.4266 -4.4111 -4.4111 -3.0577 -3.0577 -2.9953 -2.9953 -2.9912 -2.9912 -2.9620 -2.9620 -0.5279 -0.5279 -0.1311 -0.1311 0.1709 0.1709 0.2956 0.2956 0.3454 0.3454 0.4781 0.4781 1.0211 1.0211 1.0422 1.0422 1.1468 1.1468 1.2208 1.2208 1.4018 1.4018 1.5950 1.5950 1.6947 1.6947 1.7433 1.7433 2.2461 2.2461 2.3053 2.3053 2.4730 2.4730 2.5290 2.5290 2.7713 2.7713 3.0103 3.0103 3.1822 3.1822 3.6751 3.6751 7.6198 7.6198 7.9105 7.9105 8.6810 8.6810 8.7600 8.7600 9.0447 9.0447 9.2182 9.2182 9.6658 9.6658 k = 0.2857 0.2857 0.2607 ( 23618 PWs) bands (ev): -15.6263 -15.6263 -15.6239 -15.6239 -10.4919 -10.4919 -10.3020 -10.3020 -9.8401 -9.8401 -9.8250 -9.8250 -4.4246 -4.4246 -4.4077 -4.4077 -3.0555 -3.0555 -2.9914 -2.9914 -2.9829 -2.9829 -2.9583 -2.9583 -0.5144 -0.5144 -0.0783 -0.0783 0.1521 0.1521 0.2922 0.2922 0.3372 0.3372 0.4814 0.4814 1.0229 1.0229 1.0392 1.0392 1.1347 1.1347 1.2151 1.2151 1.4109 1.4109 1.5977 1.5977 1.6940 1.6940 1.7579 1.7579 2.2480 2.2480 2.3133 2.3133 2.4687 2.4687 2.5198 2.5198 2.7777 2.7777 3.0307 3.0307 3.1400 3.1400 3.6572 3.6572 7.5657 7.5657 7.8798 7.8798 8.6415 8.6415 8.7485 8.7485 9.0241 9.0241 9.2323 9.2323 9.6079 9.6079 k = 0.2738 0.2738 0.2607 ( 23602 PWs) bands (ev): -15.6269 -15.6269 -15.6242 -15.6242 -10.5025 -10.5025 -10.2949 -10.2949 -9.8409 -9.8409 -9.8246 -9.8246 -4.4228 -4.4228 -4.4044 -4.4044 -3.0535 -3.0535 -2.9874 -2.9874 -2.9750 -2.9750 -2.9549 -2.9549 -0.5006 -0.5006 -0.0259 -0.0259 0.1336 0.1336 0.2890 0.2890 0.3295 0.3295 0.4848 0.4848 1.0164 1.0164 1.0433 1.0433 1.1210 1.1210 1.2132 1.2132 1.4207 1.4207 1.6008 1.6008 1.6908 1.6908 1.7767 1.7767 2.2505 2.2505 2.3194 2.3194 2.4661 2.4661 2.5119 2.5119 2.7846 2.7846 3.0498 3.0498 3.1020 3.1020 3.6386 3.6386 7.5079 7.5079 7.8380 7.8380 8.5846 8.5846 8.7576 8.7576 8.9999 8.9999 9.2327 9.2327 9.5277 9.5277 k = 0.2619 0.2619 0.2607 ( 23598 PWs) bands (ev): -15.6274 -15.6274 -15.6245 -15.6245 -10.5132 -10.5132 -10.2877 -10.2877 -9.8417 -9.8417 -9.8241 -9.8241 -4.4212 -4.4212 -4.4012 -4.4012 -3.0517 -3.0517 -2.9835 -2.9835 -2.9674 -2.9674 -2.9519 -2.9519 -0.4865 -0.4865 0.0237 0.0237 0.1175 0.1175 0.2855 0.2855 0.3225 0.3225 0.4884 0.4884 1.0041 1.0041 1.0520 1.0520 1.1072 1.1072 1.2142 1.2142 1.4313 1.4313 1.6044 1.6044 1.6867 1.6867 1.7978 1.7978 2.2535 2.2535 2.3220 2.3220 2.4658 2.4658 2.5066 2.5066 2.7920 2.7920 3.0587 3.0587 3.0771 3.0771 3.6193 3.6193 7.4464 7.4464 7.7845 7.7845 8.5309 8.5309 8.7681 8.7681 8.9718 8.9718 9.2193 9.2193 9.4469 9.4469 k = 0.2500 0.2500 0.2607 ( 23590 PWs) bands (ev): -15.6279 -15.6279 -15.6248 -15.6248 -10.5238 -10.5238 -10.2805 -10.2805 -9.8424 -9.8424 -9.8235 -9.8235 -4.4198 -4.4198 -4.3982 -4.3982 -3.0500 -3.0500 -2.9795 -2.9795 -2.9603 -2.9603 -2.9493 -2.9493 -0.4722 -0.4722 0.0577 0.0577 0.1159 0.1159 0.2816 0.2816 0.3168 0.3168 0.4923 0.4923 0.9886 0.9886 1.0623 1.0623 1.0945 1.0945 1.2176 1.2176 1.4428 1.4428 1.6087 1.6087 1.6825 1.6825 1.8206 1.8206 2.2568 2.2568 2.3197 2.3197 2.4681 2.4681 2.5049 2.5049 2.8000 2.8000 3.0331 3.0331 3.0898 3.0898 3.5994 3.5994 7.3813 7.3813 7.7202 7.7202 8.4836 8.4836 8.7767 8.7767 8.9397 8.9397 9.1934 9.1934 9.3662 9.3662 k = 0.2381 0.2381 0.2607 ( 23580 PWs) bands (ev): -15.6285 -15.6285 -15.6251 -15.6251 -10.5344 -10.5344 -10.2732 -10.2732 -9.8431 -9.8431 -9.8229 -9.8229 -4.4185 -4.4185 -4.3953 -4.3953 -3.0485 -3.0485 -2.9756 -2.9756 -2.9539 -2.9539 -2.9470 -2.9470 -0.4577 -0.4577 0.0547 0.0547 0.1497 0.1497 0.2769 0.2769 0.3127 0.3127 0.4964 0.4964 0.9710 0.9710 1.0692 1.0692 1.0872 1.0872 1.2228 1.2228 1.4553 1.4553 1.6136 1.6136 1.6791 1.6791 1.8444 1.8444 2.2597 2.2597 2.3122 2.3122 2.4736 2.4736 2.5075 2.5075 2.8084 2.8084 3.0069 3.0069 3.1062 3.1062 3.5788 3.5788 7.3130 7.3130 7.6467 7.6467 8.4423 8.4423 8.7826 8.7826 8.9036 8.9036 9.1570 9.1570 9.2863 9.2863 k = 0.2262 0.2262 0.2607 ( 23598 PWs) bands (ev): -15.6290 -15.6290 -15.6254 -15.6254 -10.5449 -10.5449 -10.2660 -10.2660 -9.8437 -9.8437 -9.8222 -9.8222 -4.4175 -4.4175 -4.3926 -4.3926 -3.0472 -3.0472 -2.9718 -2.9718 -2.9482 -2.9482 -2.9449 -2.9449 -0.4432 -0.4432 0.0375 0.0375 0.1949 0.1949 0.2719 0.2719 0.3105 0.3105 0.5010 0.5010 0.9521 0.9521 1.0618 1.0618 1.0958 1.0958 1.2294 1.2294 1.4689 1.4689 1.6185 1.6185 1.6773 1.6773 1.8688 1.8688 2.2602 2.2602 2.3022 2.3022 2.4819 2.4819 2.5144 2.5144 2.8173 2.8173 2.9842 2.9842 3.1219 3.1219 3.5575 3.5575 7.2415 7.2415 7.5664 7.5664 8.4051 8.4051 8.7857 8.7857 8.8644 8.8644 9.1127 9.1127 9.2078 9.2078 k = 0.2143 0.2143 0.2607 ( 23598 PWs) bands (ev): -15.6296 -15.6296 -15.6258 -15.6258 -10.5552 -10.5552 -10.2588 -10.2588 -9.8442 -9.8442 -9.8215 -9.8215 -4.4166 -4.4166 -4.3900 -4.3900 -3.0460 -3.0460 -2.9681 -2.9681 -2.9447 -2.9447 -2.9417 -2.9417 -0.4287 -0.4287 0.0176 0.0176 0.2349 0.2349 0.2712 0.2712 0.3102 0.3102 0.5062 0.5062 0.9325 0.9325 1.0495 1.0495 1.1104 1.1104 1.2372 1.2372 1.4835 1.4835 1.6227 1.6227 1.6785 1.6785 1.8937 1.8937 2.2529 2.2529 2.2962 2.2962 2.4926 2.4926 2.5250 2.5250 2.8266 2.8266 2.9653 2.9653 3.1367 3.1367 3.5357 3.5357 7.1673 7.1673 7.4815 7.4815 8.3701 8.3701 8.7839 8.7839 8.8250 8.8250 9.0629 9.0629 9.1310 9.1310 k = 0.2024 0.2024 0.2607 ( 23614 PWs) bands (ev): -15.6301 -15.6301 -15.6261 -15.6261 -10.5652 -10.5652 -10.2517 -10.2517 -9.8446 -9.8446 -9.8207 -9.8207 -4.4159 -4.4159 -4.3877 -4.3877 -3.0451 -3.0451 -2.9646 -2.9646 -2.9432 -2.9432 -2.9374 -2.9374 -0.4141 -0.4141 -0.0030 -0.0030 0.2459 0.2459 0.2956 0.2956 0.3121 0.3121 0.5123 0.5123 0.9128 0.9128 1.0363 1.0363 1.1265 1.1265 1.2460 1.2460 1.4992 1.4992 1.6251 1.6251 1.6840 1.6840 1.9187 1.9187 2.2352 2.2352 2.2979 2.2979 2.5052 2.5052 2.5386 2.5386 2.8364 2.8364 2.9498 2.9498 3.1504 3.1504 3.5132 3.5132 7.0907 7.0907 7.3941 7.3941 8.3356 8.3356 8.7620 8.7620 8.8014 8.8014 9.0097 9.0097 9.0567 9.0567 k = 0.1905 0.1905 0.2607 ( 23614 PWs) bands (ev): -15.6307 -15.6307 -15.6264 -15.6264 -10.5749 -10.5749 -10.2448 -10.2448 -9.8449 -9.8449 -9.8198 -9.8198 -4.4153 -4.4153 -4.3856 -4.3856 -3.0443 -3.0443 -2.9613 -2.9613 -2.9424 -2.9424 -2.9335 -2.9335 -0.3997 -0.3997 -0.0237 -0.0237 0.2402 0.2402 0.3119 0.3119 0.3360 0.3360 0.5197 0.5197 0.8933 0.8933 1.0227 1.0227 1.1431 1.1431 1.2556 1.2556 1.5160 1.5160 1.6255 1.6255 1.6943 1.6943 1.9438 1.9438 2.2116 2.2116 2.3044 2.3044 2.5197 2.5197 2.5541 2.5541 2.8466 2.8466 2.9375 2.9375 3.1630 3.1630 3.4902 3.4902 7.0122 7.0122 7.3061 7.3061 8.3003 8.3003 8.7188 8.7188 8.7962 8.7962 8.9547 8.9547 8.9855 8.9855 k = 0.1786 0.1786 0.2607 ( 23618 PWs) bands (ev): -15.6312 -15.6312 -15.6267 -15.6267 -10.5844 -10.5844 -10.2380 -10.2380 -9.8451 -9.8451 -9.8190 -9.8190 -4.4149 -4.4149 -4.3837 -4.3837 -3.0438 -3.0438 -2.9583 -2.9583 -2.9417 -2.9417 -2.9302 -2.9302 -0.3854 -0.3854 -0.0440 -0.0440 0.2319 0.2319 0.3156 0.3156 0.3710 0.3710 0.5289 0.5289 0.8743 0.8743 1.0090 1.0090 1.1595 1.1595 1.2659 1.2659 1.5338 1.5338 1.6244 1.6244 1.7088 1.7088 1.9690 1.9690 2.1853 2.1853 2.3133 2.3133 2.5359 2.5359 2.5709 2.5709 2.8572 2.8572 2.9282 2.9282 3.1746 3.1746 3.4667 3.4667 6.9322 6.9322 7.2188 7.2188 8.2636 8.2636 8.6712 8.6712 8.7925 8.7925 8.8990 8.8990 8.9192 8.9192 k = 0.1667 0.1667 0.2607 ( 23614 PWs) bands (ev): -15.6317 -15.6317 -15.6270 -15.6270 -10.5934 -10.5934 -10.2314 -10.2314 -9.8453 -9.8453 -9.8181 -9.8181 -4.4147 -4.4147 -4.3820 -4.3820 -3.0434 -3.0434 -2.9556 -2.9556 -2.9412 -2.9412 -2.9275 -2.9275 -0.3713 -0.3713 -0.0639 -0.0639 0.2229 0.2229 0.3197 0.3197 0.4012 0.4012 0.5404 0.5404 0.8563 0.8563 0.9951 0.9951 1.1751 1.1751 1.2769 1.2769 1.5524 1.5524 1.6228 1.6228 1.7265 1.7265 1.9939 1.9939 2.1580 2.1580 2.3238 2.3238 2.5537 2.5537 2.5880 2.5880 2.8681 2.8681 2.9216 2.9216 3.1851 3.1851 3.4426 3.4426 6.8513 6.8513 7.1333 7.1333 8.2250 8.2250 8.6230 8.6230 8.7840 8.7840 8.8429 8.8429 8.8625 8.8625 k = 0.1548 0.1548 0.2607 ( 23620 PWs) bands (ev): -15.6322 -15.6322 -15.6273 -15.6273 -10.6020 -10.6020 -10.2251 -10.2251 -9.8454 -9.8454 -9.8172 -9.8172 -4.4146 -4.4146 -4.3806 -4.3806 -3.0432 -3.0432 -2.9534 -2.9534 -2.9405 -2.9405 -2.9253 -2.9253 -0.3575 -0.3575 -0.0831 -0.0831 0.2136 0.2136 0.3244 0.3244 0.4253 0.4253 0.5545 0.5545 0.8395 0.8395 0.9813 0.9813 1.1893 1.1893 1.2885 1.2885 1.5712 1.5712 1.6217 1.6217 1.7465 1.7465 2.0183 2.0183 2.1310 2.1310 2.3356 2.3356 2.5731 2.5731 2.6050 2.6050 2.8794 2.8794 2.9175 2.9175 3.1946 3.1946 3.4180 3.4180 6.7702 6.7702 7.0506 7.0506 8.1847 8.1847 8.5754 8.5754 8.7569 8.7569 8.7890 8.7890 8.8274 8.8274 k = 0.1429 0.1429 0.2607 ( 23596 PWs) bands (ev): -15.6327 -15.6327 -15.6276 -15.6276 -10.6102 -10.6102 -10.2191 -10.2191 -9.8455 -9.8455 -9.8163 -9.8163 -4.4146 -4.4146 -4.3793 -4.3793 -3.0432 -3.0432 -2.9518 -2.9518 -2.9397 -2.9397 -2.9237 -2.9237 -0.3441 -0.3441 -0.1013 -0.1013 0.2043 0.2043 0.3297 0.3297 0.4436 0.4436 0.5704 0.5704 0.8243 0.8243 0.9679 0.9679 1.2018 1.2018 1.3006 1.3006 1.5888 1.5888 1.6227 1.6227 1.7678 1.7678 2.0405 2.0405 2.1063 2.1063 2.3486 2.3486 2.5938 2.5938 2.6214 2.6214 2.8908 2.8908 2.9160 2.9160 3.2030 3.2030 3.3931 3.3931 6.6895 6.6895 6.9714 6.9714 8.1429 8.1429 8.5295 8.5295 8.7086 8.7086 8.7388 8.7388 8.8163 8.8163 k = 0.1310 0.1310 0.2607 ( 23606 PWs) bands (ev): -15.6331 -15.6331 -15.6279 -15.6279 -10.6178 -10.6178 -10.2134 -10.2134 -9.8455 -9.8455 -9.8154 -9.8154 -4.4147 -4.4147 -4.3782 -4.3782 -3.0433 -3.0433 -2.9507 -2.9507 -2.9386 -2.9386 -2.9225 -2.9225 -0.3312 -0.3312 -0.1183 -0.1183 0.1949 0.1949 0.3355 0.3355 0.4569 0.4569 0.5867 0.5867 0.8109 0.8109 0.9549 0.9549 1.2123 1.2123 1.3130 1.3130 1.6008 1.6008 1.6304 1.6304 1.7896 1.7896 2.0513 2.0513 2.0935 2.0935 2.3627 2.3627 2.6154 2.6154 2.6368 2.6368 2.9017 2.9017 2.9173 2.9173 3.2105 3.2105 3.3679 3.3679 6.6101 6.6101 6.8964 6.8964 8.1003 8.1003 8.4858 8.4858 8.6562 8.6562 8.6910 8.6910 8.8140 8.8140 k = 0.1190 0.1190 0.2607 ( 23612 PWs) bands (ev): -15.6336 -15.6336 -15.6281 -15.6281 -10.6249 -10.6249 -10.2081 -10.2081 -9.8455 -9.8455 -9.8145 -9.8145 -4.4148 -4.4148 -4.3773 -4.3773 -3.0436 -3.0436 -2.9502 -2.9502 -2.9372 -2.9372 -2.9218 -2.9218 -0.3190 -0.3190 -0.1341 -0.1341 0.1857 0.1857 0.3417 0.3417 0.4666 0.4666 0.6017 0.6017 0.7999 0.7999 0.9427 0.9427 1.2208 1.2208 1.3255 1.3255 1.6047 1.6047 1.6469 1.6469 1.8111 1.8111 2.0369 2.0369 2.1064 2.1064 2.3779 2.3779 2.6377 2.6377 2.6511 2.6511 2.9104 2.9104 2.9231 2.9231 3.2169 3.2169 3.3424 3.3424 6.5327 6.5327 6.8261 6.8261 8.0575 8.0575 8.4448 8.4448 8.6058 8.6058 8.6461 8.6461 8.8143 8.8143 k = 0.1071 0.1071 0.2607 ( 23610 PWs) bands (ev): -15.6340 -15.6340 -15.6284 -15.6284 -10.6314 -10.6314 -10.2032 -10.2032 -9.8455 -9.8455 -9.8137 -9.8137 -4.4150 -4.4150 -4.3766 -4.3766 -3.0440 -3.0440 -2.9501 -2.9501 -2.9357 -2.9357 -2.9215 -2.9215 -0.3076 -0.3076 -0.1482 -0.1482 0.1768 0.1768 0.3482 0.3482 0.4738 0.4738 0.6140 0.6140 0.7914 0.7914 0.9316 0.9316 1.2276 1.2276 1.3378 1.3378 1.6054 1.6054 1.6674 1.6674 1.8316 1.8316 2.0142 2.0142 2.1280 2.1280 2.3939 2.3939 2.6594 2.6594 2.6647 2.6647 2.9159 2.9159 2.9339 2.9339 3.2224 3.2224 3.3170 3.3170 6.4583 6.4583 6.7610 6.7610 8.0153 8.0153 8.4069 8.4069 8.5590 8.5590 8.6046 8.6046 8.8159 8.8159 k = 0.0952 0.0952 0.2607 ( 23616 PWs) bands (ev): -15.6343 -15.6343 -15.6286 -15.6286 -10.6374 -10.6374 -10.1987 -10.1987 -9.8454 -9.8454 -9.8129 -9.8129 -4.4153 -4.4153 -4.3760 -4.3760 -3.0444 -3.0444 -2.9502 -2.9502 -2.9342 -2.9342 -2.9214 -2.9214 -0.2974 -0.2974 -0.1605 -0.1605 0.1682 0.1682 0.3548 0.3548 0.4794 0.4794 0.6226 0.6226 0.7857 0.7857 0.9217 0.9217 1.2328 1.2328 1.3496 1.3496 1.6055 1.6055 1.6888 1.6888 1.8505 1.8505 1.9908 1.9908 2.1503 2.1503 2.4106 2.4106 2.6738 2.6738 2.6841 2.6841 2.9209 2.9209 2.9469 2.9469 3.2266 3.2266 3.2921 3.2921 6.3877 6.3877 6.7016 6.7016 7.9746 7.9746 8.3725 8.3725 8.5165 8.5165 8.5667 8.5667 8.8179 8.8179 k = 0.0833 0.0833 0.2607 ( 23610 PWs) bands (ev): -15.6346 -15.6346 -15.6288 -15.6288 -10.6426 -10.6426 -10.1947 -10.1947 -9.8453 -9.8453 -9.8121 -9.8121 -4.4155 -4.4155 -4.3755 -4.3755 -3.0450 -3.0450 -2.9504 -2.9504 -2.9328 -2.9328 -2.9215 -2.9215 -0.2887 -0.2887 -0.1708 -0.1708 0.1600 0.1600 0.3614 0.3614 0.4837 0.4837 0.6274 0.6274 0.7824 0.7824 0.9133 0.9133 1.2367 1.2367 1.3605 1.3605 1.6056 1.6056 1.7102 1.7102 1.8675 1.8675 1.9683 1.9683 2.1714 2.1714 2.4275 2.4275 2.6836 2.6836 2.7060 2.7060 2.9262 2.9262 2.9606 2.9606 3.2287 3.2287 3.2686 3.2686 6.3220 6.3220 6.6483 6.6483 7.9362 7.9362 8.3417 8.3417 8.4784 8.4784 8.5327 8.5327 8.8198 8.8198 k = 0.0714 0.0714 0.2607 ( 23632 PWs) bands (ev): -15.6349 -15.6349 -15.6290 -15.6290 -10.6473 -10.6473 -10.1912 -10.1912 -9.8452 -9.8452 -9.8115 -9.8115 -4.4158 -4.4158 -4.3751 -4.3751 -3.0455 -3.0455 -2.9506 -2.9506 -2.9316 -2.9316 -2.9217 -2.9217 -0.2816 -0.2816 -0.1787 -0.1787 0.1525 0.1525 0.3678 0.3678 0.4872 0.4872 0.6290 0.6290 0.7810 0.7810 0.9066 0.9066 1.2395 1.2395 1.3702 1.3702 1.6059 1.6059 1.7309 1.7309 1.8824 1.8824 1.9470 1.9470 2.1906 2.1906 2.4442 2.4442 2.6917 2.6917 2.7273 2.7273 2.9317 2.9317 2.9746 2.9746 3.2248 3.2248 3.2511 3.2511 6.2623 6.2623 6.6013 6.6013 7.9010 7.9010 8.3148 8.3148 8.4451 8.4451 8.5029 8.5029 8.8210 8.8210 k = 0.0595 0.0595 0.2607 ( 23644 PWs) bands (ev): -15.6352 -15.6352 -15.6291 -15.6291 -10.6512 -10.6512 -10.1881 -10.1881 -9.8451 -9.8451 -9.8109 -9.8109 -4.4160 -4.4160 -4.3749 -4.3749 -3.0461 -3.0461 -2.9509 -2.9509 -2.9305 -2.9305 -2.9219 -2.9219 -0.2765 -0.2765 -0.1842 -0.1842 0.1457 0.1457 0.3738 0.3738 0.4899 0.4899 0.6281 0.6281 0.7806 0.7806 0.9017 0.9017 1.2415 1.2415 1.3788 1.3788 1.6064 1.6064 1.7506 1.7506 1.8950 1.8950 1.9271 1.9271 2.2072 2.2072 2.4599 2.4599 2.6982 2.6982 2.7472 2.7472 2.9371 2.9371 2.9885 2.9885 3.2090 3.2090 3.2458 3.2458 6.2095 6.2095 6.5611 6.5611 7.8698 7.8698 8.2919 8.2919 8.4167 8.4167 8.4774 8.4774 8.8211 8.8211 k = 0.0476 0.0476 0.2607 ( 23652 PWs) bands (ev): -15.6354 -15.6354 -15.6293 -15.6293 -10.6545 -10.6545 -10.1856 -10.1856 -9.8450 -9.8450 -9.8104 -9.8104 -4.4163 -4.4163 -4.3747 -4.3747 -3.0466 -3.0466 -2.9511 -2.9511 -2.9297 -2.9297 -2.9222 -2.9222 -0.2733 -0.2733 -0.1876 -0.1876 0.1398 0.1398 0.3791 0.3791 0.4921 0.4921 0.6259 0.6259 0.7805 0.7805 0.8984 0.8984 1.2430 1.2430 1.3859 1.3859 1.6071 1.6071 1.7690 1.7690 1.9051 1.9051 1.9090 1.9090 2.2211 2.2211 2.4741 2.4741 2.7033 2.7033 2.7653 2.7653 2.9421 2.9421 3.0019 3.0019 3.1888 3.1888 3.2460 3.2460 6.1646 6.1646 6.5278 6.5278 7.8432 7.8432 8.2731 8.2731 8.3934 8.3934 8.4563 8.4563 8.8197 8.8197 k = 0.0357 0.0357 0.2607 ( 23646 PWs) bands (ev): -15.6355 -15.6355 -15.6294 -15.6294 -10.6570 -10.6570 -10.1837 -10.1837 -9.8449 -9.8449 -9.8101 -9.8101 -4.4164 -4.4164 -4.3745 -4.3745 -3.0470 -3.0470 -2.9513 -2.9513 -2.9291 -2.9291 -2.9224 -2.9224 -0.2717 -0.2717 -0.1891 -0.1891 0.1350 0.1350 0.3836 0.3836 0.4937 0.4937 0.6233 0.6233 0.7804 0.7804 0.8964 0.8964 1.2439 1.2439 1.3915 1.3915 1.6079 1.6079 1.7858 1.7858 1.8921 1.8921 1.9134 1.9134 2.2320 2.2320 2.4859 2.4859 2.7071 2.7071 2.7808 2.7808 2.9463 2.9463 3.0141 3.0141 3.1695 3.1695 3.2469 3.2469 6.1286 6.1286 6.5016 6.5016 7.8218 7.8218 8.2584 8.2584 8.3751 8.3751 8.4399 8.4399 8.8173 8.8173 k = 0.0238 0.0238 0.2607 ( 23642 PWs) bands (ev): -15.6356 -15.6356 -15.6294 -15.6294 -10.6589 -10.6589 -10.1822 -10.1822 -9.8449 -9.8449 -9.8098 -9.8098 -4.4166 -4.4166 -4.3744 -4.3744 -3.0473 -3.0473 -2.9514 -2.9514 -2.9287 -2.9287 -2.9225 -2.9225 -0.2710 -0.2710 -0.1895 -0.1895 0.1315 0.1315 0.3870 0.3870 0.4949 0.4949 0.6209 0.6209 0.7802 0.7802 0.8953 0.8953 1.2445 1.2445 1.3955 1.3955 1.6086 1.6086 1.8007 1.8007 1.8774 1.8774 1.9191 1.9191 2.2398 2.2398 2.4948 2.4948 2.7098 2.7098 2.7928 2.7928 2.9495 2.9495 3.0245 3.0245 3.1532 3.1532 3.2478 3.2478 6.1023 6.1023 6.4829 6.4829 7.8062 7.8062 8.2479 8.2479 8.3620 8.3620 8.4280 8.4280 8.8145 8.8145 k = 0.0119 0.0119 0.2607 ( 23632 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6600 -10.6600 -10.1814 -10.1814 -9.8448 -9.8448 -9.8096 -9.8096 -4.4167 -4.4167 -4.3744 -4.3744 -3.0475 -3.0475 -2.9515 -2.9515 -2.9285 -2.9285 -2.9226 -2.9226 -0.2709 -0.2709 -0.1895 -0.1895 0.1293 0.1293 0.3891 0.3891 0.4956 0.4956 0.6193 0.6193 0.7801 0.7801 0.8949 0.8949 1.2448 1.2448 1.3980 1.3980 1.6090 1.6090 1.8124 1.8124 1.8658 1.8658 1.9225 1.9225 2.2445 2.2445 2.5003 2.5003 2.7113 2.7113 2.8005 2.8005 2.9515 2.9515 3.0319 3.0319 3.1420 3.1420 3.2484 3.2484 6.0862 6.0862 6.4715 6.4715 7.7967 7.7967 8.2416 8.2416 8.3541 8.3541 8.4209 8.4209 8.8124 8.8124 k = 0.0000 0.0000 0.2607 ( 23622 PWs) bands (ev): -15.6357 -15.6357 -15.6295 -15.6295 -10.6603 -10.6603 -10.1811 -10.1811 -9.8448 -9.8448 -9.8096 -9.8096 -4.4167 -4.4167 -4.3744 -4.3744 -3.0476 -3.0476 -2.9515 -2.9515 -2.9285 -2.9285 -2.9226 -2.9226 -0.2709 -0.2709 -0.1894 -0.1894 0.1286 0.1286 0.3898 0.3898 0.4958 0.4958 0.6187 0.6187 0.7800 0.7800 0.8948 0.8948 1.2449 1.2449 1.3988 1.3988 1.6092 1.6092 1.8175 1.8175 1.8608 1.8608 1.9236 1.9236 2.2460 2.2460 2.5022 2.5022 2.7119 2.7119 2.8032 2.8032 2.9522 2.9522 3.0346 3.0346 3.1380 3.1380 3.2486 3.2486 6.0808 6.0808 6.4677 6.4677 7.7935 7.7935 8.2395 8.2395 8.3515 8.3515 8.4186 8.4186 8.8117 8.8117 k = 0.0000 0.5000-0.0000 ( 23652 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4060 -10.4060 -10.4060 -10.4060 -9.8395 -9.8395 -9.8395 -9.8395 -4.3947 -4.3947 -4.3947 -4.3947 -3.0011 -3.0011 -3.0011 -3.0011 -2.9231 -2.9231 -2.9231 -2.9231 0.0270 0.0270 0.0270 0.0270 0.1643 0.1643 0.1643 0.1643 0.4870 0.4870 0.4870 0.4870 0.7154 0.7154 0.7154 0.7154 1.1701 1.1701 1.1701 1.1701 1.3514 1.3514 1.3514 1.3514 1.9013 1.9013 1.9013 1.9013 2.2342 2.2342 2.2342 2.2342 2.5627 2.5627 2.5627 2.5627 2.8566 2.8566 2.8566 2.8566 2.9448 2.9448 2.9448 2.9448 7.8062 7.8062 7.8062 7.8062 8.9569 8.9569 8.9569 8.9569 9.4231 9.4231 9.4231 9.4231 10.0788 10.0788 k = 0.0000 0.5000 0.0163 ( 23636 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4060 -10.4060 -10.4060 -10.4060 -9.8395 -9.8395 -9.8395 -9.8395 -4.3947 -4.3947 -4.3947 -4.3947 -3.0011 -3.0011 -3.0011 -3.0011 -2.9231 -2.9231 -2.9231 -2.9231 0.0266 0.0266 0.0266 0.0266 0.1643 0.1643 0.1643 0.1643 0.4859 0.4859 0.4859 0.4859 0.7165 0.7165 0.7165 0.7165 1.1697 1.1697 1.1697 1.1697 1.3514 1.3514 1.3514 1.3514 1.9013 1.9013 1.9013 1.9013 2.2344 2.2344 2.2344 2.2344 2.5631 2.5631 2.5631 2.5631 2.8566 2.8566 2.8566 2.8566 2.9452 2.9452 2.9452 2.9452 7.8076 7.8076 7.8076 7.8076 8.9583 8.9583 8.9583 8.9583 9.4226 9.4226 9.4226 9.4226 10.0678 10.0678 k = 0.0000 0.5000 0.0326 ( 23638 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4060 -10.4060 -10.4060 -10.4060 -9.8395 -9.8395 -9.8395 -9.8395 -4.3947 -4.3947 -4.3947 -4.3947 -3.0010 -3.0010 -3.0010 -3.0010 -2.9229 -2.9229 -2.9229 -2.9229 0.0257 0.0257 0.0257 0.0257 0.1644 0.1644 0.1644 0.1644 0.4826 0.4826 0.4826 0.4826 0.7196 0.7196 0.7196 0.7196 1.1688 1.1688 1.1688 1.1688 1.3513 1.3513 1.3513 1.3513 1.9012 1.9012 1.9012 1.9012 2.2351 2.2351 2.2351 2.2351 2.5645 2.5645 2.5645 2.5645 2.8566 2.8566 2.8566 2.8566 2.9464 2.9464 2.9464 2.9464 7.8118 7.8118 7.8118 7.8118 8.9625 8.9625 8.9625 8.9625 9.4211 9.4211 9.4211 9.4211 10.0401 10.0401 k = 0.0000 0.5000 0.0489 ( 23632 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4061 -10.4061 -10.4061 -10.4061 -9.8395 -9.8395 -9.8395 -9.8395 -4.3946 -4.3946 -4.3946 -4.3946 -3.0008 -3.0008 -3.0008 -3.0008 -2.9227 -2.9227 -2.9227 -2.9227 0.0242 0.0242 0.0242 0.0242 0.1645 0.1645 0.1645 0.1645 0.4775 0.4775 0.4775 0.4775 0.7244 0.7244 0.7244 0.7244 1.1672 1.1672 1.1672 1.1672 1.3511 1.3511 1.3511 1.3511 1.9010 1.9010 1.9010 1.9010 2.2360 2.2360 2.2360 2.2360 2.5666 2.5666 2.5666 2.5666 2.8567 2.8567 2.8567 2.8567 2.9483 2.9483 2.9483 2.9483 7.8187 7.8187 7.8187 7.8187 8.9693 8.9693 8.9693 8.9693 9.4186 9.4186 9.4186 9.4186 10.0045 10.0045 k = 0.0000 0.5000 0.0652 ( 23622 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4061 -10.4061 -10.4061 -10.4061 -9.8394 -9.8394 -9.8394 -9.8394 -4.3945 -4.3945 -4.3945 -4.3945 -3.0005 -3.0005 -3.0005 -3.0005 -2.9223 -2.9223 -2.9223 -2.9223 0.0220 0.0220 0.0220 0.0220 0.1647 0.1647 0.1647 0.1647 0.4710 0.4710 0.4710 0.4710 0.7306 0.7306 0.7306 0.7306 1.1651 1.1651 1.1651 1.1651 1.3509 1.3509 1.3509 1.3509 1.9007 1.9007 1.9007 1.9007 2.2373 2.2373 2.2373 2.2373 2.5695 2.5695 2.5695 2.5695 2.8567 2.8567 2.8567 2.8567 2.9510 2.9510 2.9510 2.9510 7.8283 7.8283 7.8283 7.8283 8.9786 8.9786 8.9786 8.9786 9.4147 9.4147 9.4147 9.4147 9.9661 9.9661 k = 0.0000 0.5000 0.0815 ( 23630 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4062 -10.4062 -10.4062 -10.4062 -9.8394 -9.8394 -9.8394 -9.8394 -4.3944 -4.3944 -4.3944 -4.3944 -3.0003 -3.0003 -3.0003 -3.0003 -2.9219 -2.9219 -2.9219 -2.9219 0.0195 0.0195 0.0195 0.0195 0.1648 0.1648 0.1648 0.1648 0.4635 0.4635 0.4635 0.4635 0.7378 0.7378 0.7378 0.7378 1.1626 1.1626 1.1626 1.1626 1.3506 1.3506 1.3506 1.3506 1.9005 1.9005 1.9005 1.9005 2.2388 2.2388 2.2388 2.2388 2.5730 2.5730 2.5730 2.5730 2.8568 2.8568 2.8568 2.8568 2.9543 2.9543 2.9543 2.9543 7.8403 7.8403 7.8403 7.8403 8.9901 8.9901 8.9901 8.9901 9.4092 9.4092 9.4092 9.4092 9.9275 9.9275 k = 0.0000 0.5000 0.0977 ( 23600 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4062 -10.4062 -10.4062 -10.4062 -9.8394 -9.8394 -9.8394 -9.8394 -4.3943 -4.3943 -4.3943 -4.3943 -2.9999 -2.9999 -2.9999 -2.9999 -2.9214 -2.9214 -2.9214 -2.9214 0.0164 0.0164 0.0164 0.0164 0.1650 0.1650 0.1650 0.1650 0.4555 0.4555 0.4555 0.4555 0.7456 0.7456 0.7456 0.7456 1.1597 1.1597 1.1597 1.1597 1.3503 1.3503 1.3503 1.3503 1.9001 1.9001 1.9001 1.9001 2.2405 2.2405 2.2405 2.2405 2.5770 2.5770 2.5770 2.5770 2.8569 2.8569 2.8569 2.8569 2.9581 2.9581 2.9581 2.9581 7.8546 7.8546 7.8546 7.8546 9.0036 9.0036 9.0036 9.0036 9.4017 9.4017 9.4017 9.4017 9.8901 9.8901 k = 0.0000 0.5000 0.1140 ( 23604 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4063 -10.4063 -10.4063 -10.4063 -9.8393 -9.8393 -9.8393 -9.8393 -4.3941 -4.3941 -4.3941 -4.3941 -2.9996 -2.9996 -2.9996 -2.9996 -2.9208 -2.9208 -2.9208 -2.9208 0.0131 0.0131 0.0131 0.0131 0.1652 0.1652 0.1652 0.1652 0.4474 0.4474 0.4474 0.4474 0.7537 0.7537 0.7537 0.7537 1.1565 1.1565 1.1565 1.1565 1.3499 1.3499 1.3499 1.3499 1.8998 1.8998 1.8998 1.8998 2.2422 2.2422 2.2422 2.2422 2.5812 2.5812 2.5812 2.5812 2.8570 2.8570 2.8570 2.8570 2.9624 2.9624 2.9624 2.9624 7.8708 7.8708 7.8708 7.8708 9.0186 9.0186 9.0186 9.0186 9.3918 9.3918 9.3918 9.3918 9.8546 9.8546 k = 0.0000 0.5000 0.1303 ( 23612 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4063 -10.4063 -10.4063 -10.4063 -9.8393 -9.8393 -9.8393 -9.8393 -4.3940 -4.3940 -4.3940 -4.3940 -2.9992 -2.9992 -2.9992 -2.9992 -2.9203 -2.9203 -2.9203 -2.9203 0.0096 0.0096 0.0096 0.0096 0.1655 0.1655 0.1655 0.1655 0.4395 0.4395 0.4395 0.4395 0.7616 0.7616 0.7616 0.7616 1.1532 1.1532 1.1532 1.1532 1.3495 1.3495 1.3495 1.3495 1.8994 1.8994 1.8994 1.8994 2.2439 2.2439 2.2439 2.2439 2.5856 2.5856 2.5856 2.5856 2.8571 2.8571 2.8571 2.8571 2.9669 2.9669 2.9669 2.9669 7.8885 7.8885 7.8885 7.8885 9.0348 9.0348 9.0348 9.0348 9.3789 9.3789 9.3789 9.3789 9.8215 9.8215 k = 0.0000 0.5000 0.1466 ( 23592 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4064 -10.4064 -10.4064 -10.4064 -9.8392 -9.8392 -9.8392 -9.8392 -4.3939 -4.3939 -4.3939 -4.3939 -2.9989 -2.9989 -2.9989 -2.9989 -2.9197 -2.9197 -2.9197 -2.9197 0.0060 0.0060 0.0060 0.0060 0.1657 0.1657 0.1657 0.1657 0.4320 0.4320 0.4320 0.4320 0.7692 0.7692 0.7692 0.7692 1.1498 1.1498 1.1498 1.1498 1.3491 1.3491 1.3491 1.3491 1.8990 1.8990 1.8990 1.8990 2.2455 2.2455 2.2455 2.2455 2.5898 2.5898 2.5898 2.5898 2.8572 2.8572 2.8572 2.8572 2.9715 2.9715 2.9715 2.9715 7.9072 7.9072 7.9072 7.9072 9.0516 9.0516 9.0516 9.0516 9.3627 9.3627 9.3627 9.3627 9.7913 9.7913 k = 0.0000 0.5000 0.1629 ( 23600 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4064 -10.4064 -10.4064 -10.4064 -9.8392 -9.8392 -9.8392 -9.8392 -4.3937 -4.3937 -4.3937 -4.3937 -2.9986 -2.9986 -2.9986 -2.9986 -2.9191 -2.9191 -2.9191 -2.9191 0.0025 0.0025 0.0025 0.0025 0.1659 0.1659 0.1659 0.1659 0.4252 0.4252 0.4252 0.4252 0.7763 0.7763 0.7763 0.7763 1.1465 1.1465 1.1465 1.1465 1.3487 1.3487 1.3487 1.3487 1.8987 1.8987 1.8987 1.8987 2.2470 2.2470 2.2470 2.2470 2.5939 2.5939 2.5939 2.5939 2.8574 2.8574 2.8574 2.8574 2.9760 2.9760 2.9760 2.9760 7.9262 7.9262 7.9262 7.9262 9.0684 9.0684 9.0684 9.0684 9.3430 9.3430 9.3430 9.3430 9.7641 9.7641 k = 0.0000 0.5000 0.1792 ( 23596 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4065 -10.4065 -10.4065 -10.4065 -9.8391 -9.8391 -9.8391 -9.8391 -4.3936 -4.3936 -4.3936 -4.3936 -2.9983 -2.9983 -2.9983 -2.9983 -2.9186 -2.9186 -2.9186 -2.9186 -0.0007 -0.0007 -0.0007 -0.0007 0.1661 0.1661 0.1661 0.1661 0.4193 0.4193 0.4193 0.4193 0.7826 0.7826 0.7826 0.7826 1.1435 1.1435 1.1435 1.1435 1.3483 1.3483 1.3483 1.3483 1.8984 1.8984 1.8984 1.8984 2.2483 2.2483 2.2483 2.2483 2.5975 2.5975 2.5975 2.5975 2.8575 2.8575 2.8575 2.8575 2.9803 2.9803 2.9803 2.9803 7.9448 7.9448 7.9448 7.9448 9.0849 9.0849 9.0849 9.0849 9.3205 9.3205 9.3205 9.3205 9.7402 9.7402 k = 0.0000 0.5000 0.1955 ( 23574 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8391 -9.8391 -9.8391 -9.8391 -4.3935 -4.3935 -4.3935 -4.3935 -2.9980 -2.9980 -2.9980 -2.9980 -2.9181 -2.9181 -2.9181 -2.9181 -0.0036 -0.0036 -0.0036 -0.0036 0.1663 0.1663 0.1663 0.1663 0.4143 0.4143 0.4143 0.4143 0.7881 0.7881 0.7881 0.7881 1.1408 1.1408 1.1408 1.1408 1.3480 1.3480 1.3480 1.3480 1.8981 1.8981 1.8981 1.8981 2.2494 2.2494 2.2494 2.2494 2.6007 2.6007 2.6007 2.6007 2.8577 2.8577 2.8577 2.8577 2.9841 2.9841 2.9841 2.9841 7.9620 7.9620 7.9620 7.9620 9.1005 9.1005 9.1005 9.1005 9.2964 9.2964 9.2964 9.2964 9.7200 9.7200 k = 0.0000 0.5000 0.2118 ( 23562 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3934 -4.3934 -4.3934 -4.3934 -2.9978 -2.9978 -2.9978 -2.9978 -2.9177 -2.9177 -2.9177 -2.9177 -0.0060 -0.0060 -0.0060 -0.0060 0.1664 0.1664 0.1664 0.1664 0.4104 0.4104 0.4104 0.4104 0.7924 0.7924 0.7924 0.7924 1.1386 1.1386 1.1386 1.1386 1.3477 1.3477 1.3477 1.3477 1.8979 1.8979 1.8979 1.8979 2.2503 2.2503 2.2503 2.2503 2.6033 2.6033 2.6033 2.6033 2.8578 2.8578 2.8578 2.8578 2.9873 2.9873 2.9873 2.9873 7.9768 7.9768 7.9768 7.9768 9.1145 9.1145 9.1145 9.1145 9.2728 9.2728 9.2728 9.2728 9.7040 9.7040 k = 0.0000 0.5000 0.2281 ( 23578 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3933 -4.3933 -4.3933 -4.3933 -2.9976 -2.9976 -2.9976 -2.9976 -2.9174 -2.9174 -2.9174 -2.9174 -0.0078 -0.0078 -0.0078 -0.0078 0.1665 0.1665 0.1665 0.1665 0.4075 0.4075 0.4075 0.4075 0.7956 0.7956 0.7956 0.7956 1.1370 1.1370 1.1370 1.1370 1.3475 1.3475 1.3475 1.3475 1.8977 1.8977 1.8977 1.8977 2.2509 2.2509 2.2509 2.2509 2.6051 2.6051 2.6051 2.6051 2.8579 2.8579 2.8579 2.8579 2.9896 2.9896 2.9896 2.9896 7.9883 7.9883 7.9883 7.9883 9.1265 9.1265 9.1265 9.1265 9.2522 9.2522 9.2522 9.2522 9.6924 9.6924 k = 0.0000 0.5000 0.2444 ( 23566 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3933 -4.3933 -4.3933 -4.3933 -2.9975 -2.9975 -2.9975 -2.9975 -2.9173 -2.9173 -2.9173 -2.9173 -0.0090 -0.0090 -0.0090 -0.0090 0.1666 0.1666 0.1666 0.1666 0.4058 0.4058 0.4058 0.4058 0.7976 0.7976 0.7976 0.7976 1.1359 1.1359 1.1359 1.1359 1.3474 1.3474 1.3474 1.3474 1.8976 1.8976 1.8976 1.8976 2.2513 2.2513 2.2513 2.2513 2.6063 2.6063 2.6063 2.6063 2.8579 2.8579 2.8579 2.8579 2.9911 2.9911 2.9911 2.9911 7.9956 7.9956 7.9956 7.9956 9.1351 9.1351 9.1351 9.1351 9.2377 9.2377 9.2377 9.2377 9.6855 9.6855 k = 0.0000 0.5000 0.2607 ( 23552 PWs) bands (ev): -15.6259 -15.6259 -15.6259 -15.6259 -10.4066 -10.4066 -10.4066 -10.4066 -9.8390 -9.8390 -9.8390 -9.8390 -4.3932 -4.3932 -4.3932 -4.3932 -2.9975 -2.9975 -2.9975 -2.9975 -2.9172 -2.9172 -2.9172 -2.9172 -0.0093 -0.0093 -0.0093 -0.0093 0.1666 0.1666 0.1666 0.1666 0.4052 0.4052 0.4052 0.4052 0.7982 0.7982 0.7982 0.7982 1.1356 1.1356 1.1356 1.1356 1.3473 1.3473 1.3473 1.3473 1.8975 1.8975 1.8975 1.8975 2.2514 2.2514 2.2514 2.2514 2.6067 2.6067 2.6067 2.6067 2.8580 2.8580 2.8580 2.8580 2.9916 2.9916 2.9916 2.9916 7.9981 7.9981 7.9981 7.9981 9.1383 9.1383 9.1383 9.1383 9.2323 9.2323 9.2323 9.2323 9.6832 9.6832 k = 0.5000 0.5000-0.0000 ( 23624 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8258 -9.8258 -9.8258 -9.8258 -4.4560 -4.4560 -4.4560 -4.4560 -3.0810 -3.0810 -3.0810 -3.0810 -3.0536 -3.0536 -3.0536 -3.0536 -0.6049 -0.6049 -0.6049 -0.6049 0.3582 0.3582 0.3582 0.3582 0.4886 0.4886 0.4886 0.4886 1.0117 1.0117 1.0117 1.0117 1.2000 1.2000 1.2000 1.2000 1.5456 1.5456 1.5456 1.5456 1.7073 1.7073 1.7073 1.7073 2.2795 2.2795 2.2795 2.2795 2.5352 2.5352 2.5352 2.5352 2.6342 2.6342 2.6342 2.6342 3.8376 3.8376 3.8376 3.8376 7.9940 7.9940 7.9940 7.9940 8.1991 8.1991 8.1991 8.1991 10.1202 10.1202 10.1202 10.1202 10.3930 10.3930 k = 0.5000 0.5000 0.0163 ( 23624 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8258 -9.8258 -9.8258 -9.8258 -4.4559 -4.4559 -4.4559 -4.4559 -3.0813 -3.0813 -3.0813 -3.0813 -3.0531 -3.0531 -3.0531 -3.0531 -0.6054 -0.6054 -0.6054 -0.6054 0.3582 0.3582 0.3582 0.3582 0.4880 0.4880 0.4880 0.4880 1.0118 1.0118 1.0118 1.0118 1.2001 1.2001 1.2001 1.2001 1.5456 1.5456 1.5456 1.5456 1.7072 1.7072 1.7072 1.7072 2.2792 2.2792 2.2792 2.2792 2.5366 2.5366 2.5366 2.5366 2.6345 2.6345 2.6345 2.6345 3.8376 3.8376 3.8376 3.8376 7.9970 7.9970 7.9970 7.9970 8.1963 8.1963 8.1963 8.1963 10.1224 10.1224 10.1224 10.1224 10.3908 10.3908 k = 0.5000 0.5000 0.0326 ( 23600 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8258 -9.8258 -9.8258 -9.8258 -4.4559 -4.4559 -4.4559 -4.4559 -3.0820 -3.0820 -3.0820 -3.0820 -3.0519 -3.0519 -3.0519 -3.0519 -0.6067 -0.6067 -0.6067 -0.6067 0.3582 0.3582 0.3582 0.3582 0.4863 0.4863 0.4863 0.4863 1.0122 1.0122 1.0122 1.0122 1.2004 1.2004 1.2004 1.2004 1.5456 1.5456 1.5456 1.5456 1.7069 1.7069 1.7069 1.7069 2.2784 2.2784 2.2784 2.2784 2.5404 2.5404 2.5404 2.5404 2.6355 2.6355 2.6355 2.6355 3.8376 3.8376 3.8376 3.8376 8.0059 8.0059 8.0059 8.0059 8.1881 8.1881 8.1881 8.1881 10.1286 10.1286 10.1286 10.1286 10.3380 10.3380 k = 0.5000 0.5000 0.0489 ( 23620 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8259 -9.8259 -9.8259 -9.8259 -4.4558 -4.4558 -4.4558 -4.4558 -3.0831 -3.0831 -3.0831 -3.0831 -3.0501 -3.0501 -3.0501 -3.0501 -0.6089 -0.6089 -0.6089 -0.6089 0.3582 0.3582 0.3582 0.3582 0.4836 0.4836 0.4836 0.4836 1.0128 1.0128 1.0128 1.0128 1.2009 1.2009 1.2009 1.2009 1.5456 1.5456 1.5456 1.5456 1.7065 1.7065 1.7065 1.7065 2.2772 2.2772 2.2772 2.2772 2.5465 2.5465 2.5465 2.5465 2.6372 2.6372 2.6372 2.6372 3.8376 3.8376 3.8376 3.8376 8.0207 8.0207 8.0207 8.0207 8.1747 8.1747 8.1747 8.1747 10.1373 10.1373 10.1373 10.1373 10.2339 10.2339 k = 0.5000 0.5000 0.0652 ( 23620 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8259 -9.8259 -9.8259 -9.8259 -4.4556 -4.4556 -4.4556 -4.4556 -3.0844 -3.0844 -3.0844 -3.0844 -3.0477 -3.0477 -3.0477 -3.0477 -0.6118 -0.6118 -0.6118 -0.6118 0.3582 0.3582 0.3582 0.3582 0.4799 0.4799 0.4799 0.4799 1.0137 1.0137 1.0137 1.0137 1.2016 1.2016 1.2016 1.2016 1.5457 1.5457 1.5457 1.5457 1.7058 1.7058 1.7058 1.7058 2.2756 2.2756 2.2756 2.2756 2.5543 2.5543 2.5543 2.5543 2.6399 2.6399 2.6399 2.6399 3.8376 3.8376 3.8376 3.8376 8.0412 8.0412 8.0412 8.0412 8.1570 8.1570 8.1570 8.1570 10.1116 10.1116 10.1116 10.1116 10.1651 10.1651 k = 0.5000 0.5000 0.0815 ( 23628 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8259 -9.8259 -9.8259 -9.8259 -4.4555 -4.4555 -4.4555 -4.4555 -3.0858 -3.0858 -3.0858 -3.0858 -3.0451 -3.0451 -3.0451 -3.0451 -0.6154 -0.6154 -0.6154 -0.6154 0.3582 0.3582 0.3582 0.3582 0.4755 0.4755 0.4755 0.4755 1.0147 1.0147 1.0147 1.0147 1.2024 1.2024 1.2024 1.2024 1.5457 1.5457 1.5457 1.5457 1.7051 1.7051 1.7051 1.7051 2.2736 2.2736 2.2736 2.2736 2.5632 2.5632 2.5632 2.5632 2.6437 2.6437 2.6437 2.6437 3.8376 3.8376 3.8376 3.8376 8.0670 8.0670 8.0670 8.0670 8.1358 8.1358 8.1358 8.1358 10.0086 10.0086 10.0086 10.0086 10.1769 10.1769 k = 0.5000 0.5000 0.0977 ( 23640 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8260 -9.8260 -9.8260 -9.8260 -4.4553 -4.4553 -4.4553 -4.4553 -3.0872 -3.0872 -3.0872 -3.0872 -3.0423 -3.0423 -3.0423 -3.0423 -0.6195 -0.6195 -0.6195 -0.6195 0.3582 0.3582 0.3582 0.3582 0.4706 0.4706 0.4706 0.4706 1.0158 1.0158 1.0158 1.0158 1.2034 1.2034 1.2034 1.2034 1.5457 1.5457 1.5457 1.5457 1.7042 1.7042 1.7042 1.7042 2.2714 2.2714 2.2714 2.2714 2.5723 2.5723 2.5723 2.5723 2.6490 2.6490 2.6490 2.6490 3.8375 3.8375 3.8375 3.8375 8.0954 8.0954 8.0954 8.0954 8.1146 8.1146 8.1146 8.1146 9.9010 9.9010 9.9010 9.9010 10.1968 10.1968 k = 0.5000 0.5000 0.1140 ( 23632 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8260 -9.8260 -9.8260 -9.8260 -4.4551 -4.4551 -4.4551 -4.4551 -3.0885 -3.0885 -3.0885 -3.0885 -3.0394 -3.0394 -3.0394 -3.0394 -0.6240 -0.6240 -0.6240 -0.6240 0.3582 0.3582 0.3582 0.3582 0.4654 0.4654 0.4654 0.4654 1.0169 1.0169 1.0169 1.0169 1.2045 1.2045 1.2045 1.2045 1.5457 1.5457 1.5457 1.5457 1.7032 1.7032 1.7032 1.7032 2.2691 2.2691 2.2691 2.2691 2.5808 2.5808 2.5808 2.5808 2.6562 2.6562 2.6562 2.6562 3.8375 3.8375 3.8375 3.8375 8.0832 8.0832 8.0832 8.0832 8.1372 8.1372 8.1372 8.1372 9.7945 9.7945 9.7945 9.7945 10.2195 10.2195 k = 0.5000 0.5000 0.1303 ( 23628 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8260 -9.8260 -9.8260 -9.8260 -4.4548 -4.4548 -4.4548 -4.4548 -3.0897 -3.0897 -3.0897 -3.0897 -3.0366 -3.0366 -3.0366 -3.0366 -0.6287 -0.6287 -0.6287 -0.6287 0.3581 0.3581 0.3581 0.3581 0.4601 0.4601 0.4601 0.4601 1.0181 1.0181 1.0181 1.0181 1.2056 1.2056 1.2056 1.2056 1.5457 1.5457 1.5457 1.5457 1.7022 1.7022 1.7022 1.7022 2.2668 2.2668 2.2668 2.2668 2.5881 2.5881 2.5881 2.5881 2.6651 2.6651 2.6651 2.6651 3.8375 3.8375 3.8375 3.8375 8.0569 8.0569 8.0569 8.0569 8.1776 8.1776 8.1776 8.1776 9.6901 9.6901 9.6901 9.6901 10.2437 10.2437 k = 0.5000 0.5000 0.1466 ( 23604 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8261 -9.8261 -9.8261 -9.8261 -4.4546 -4.4546 -4.4546 -4.4546 -3.0908 -3.0908 -3.0908 -3.0908 -3.0339 -3.0339 -3.0339 -3.0339 -0.6333 -0.6333 -0.6333 -0.6333 0.3581 0.3581 0.3581 0.3581 0.4549 0.4549 0.4549 0.4549 1.0192 1.0192 1.0192 1.0192 1.2068 1.2068 1.2068 1.2068 1.5456 1.5456 1.5456 1.5456 1.7011 1.7011 1.7011 1.7011 2.2645 2.2645 2.2645 2.2645 2.5938 2.5938 2.5938 2.5938 2.6755 2.6755 2.6755 2.6755 3.8375 3.8375 3.8375 3.8375 8.0305 8.0305 8.0305 8.0305 8.2225 8.2225 8.2225 8.2225 9.5887 9.5887 9.5887 9.5887 10.2687 10.2687 k = 0.5000 0.5000 0.1629 ( 23596 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8261 -9.8261 -9.8261 -9.8261 -4.4544 -4.4544 -4.4544 -4.4544 -3.0917 -3.0917 -3.0917 -3.0917 -3.0314 -3.0314 -3.0314 -3.0314 -0.6379 -0.6379 -0.6379 -0.6379 0.3581 0.3581 0.3581 0.3581 0.4500 0.4500 0.4500 0.4500 1.0203 1.0203 1.0203 1.0203 1.2080 1.2080 1.2080 1.2080 1.5455 1.5455 1.5455 1.5455 1.7001 1.7001 1.7001 1.7001 2.2623 2.2623 2.2623 2.2623 2.5981 2.5981 2.5981 2.5981 2.6867 2.6867 2.6867 2.6867 3.8375 3.8375 3.8375 3.8375 8.0052 8.0052 8.0052 8.0052 8.2706 8.2706 8.2706 8.2706 9.4913 9.4913 9.4913 9.4913 10.2932 10.2932 k = 0.5000 0.5000 0.1792 ( 23588 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8261 -9.8261 -9.8261 -9.8261 -4.4542 -4.4542 -4.4542 -4.4542 -3.0925 -3.0925 -3.0925 -3.0925 -3.0292 -3.0292 -3.0292 -3.0292 -0.6420 -0.6420 -0.6420 -0.6420 0.3581 0.3581 0.3581 0.3581 0.4456 0.4456 0.4456 0.4456 1.0213 1.0213 1.0213 1.0213 1.2091 1.2091 1.2091 1.2091 1.5455 1.5455 1.5455 1.5455 1.6991 1.6991 1.6991 1.6991 2.2604 2.2604 2.2604 2.2604 2.6013 2.6013 2.6013 2.6013 2.6978 2.6978 2.6978 2.6978 3.8375 3.8375 3.8375 3.8375 7.9821 7.9821 7.9821 7.9821 8.3207 8.3207 8.3207 8.3207 9.3994 9.3994 9.3994 9.3994 10.3161 10.3161 k = 0.5000 0.5000 0.1955 ( 23596 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4540 -4.4540 -4.4540 -4.4540 -3.0931 -3.0931 -3.0931 -3.0931 -3.0272 -3.0272 -3.0272 -3.0272 -0.6457 -0.6457 -0.6457 -0.6457 0.3581 0.3581 0.3581 0.3581 0.4418 0.4418 0.4418 0.4418 1.0221 1.0221 1.0221 1.0221 1.2101 1.2101 1.2101 1.2101 1.5454 1.5454 1.5454 1.5454 1.6983 1.6983 1.6983 1.6983 2.2587 2.2587 2.2587 2.2587 2.6036 2.6036 2.6036 2.6036 2.7080 2.7080 2.7080 2.7080 3.8375 3.8375 3.8375 3.8375 7.9620 7.9620 7.9620 7.9620 8.3710 8.3710 8.3710 8.3710 9.3148 9.3148 9.3148 9.3148 10.3350 10.3350 k = 0.5000 0.5000 0.2118 ( 23620 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4539 -4.4539 -4.4539 -4.4539 -3.0937 -3.0937 -3.0937 -3.0937 -3.0257 -3.0257 -3.0257 -3.0257 -0.6487 -0.6487 -0.6487 -0.6487 0.3581 0.3581 0.3581 0.3581 0.4387 0.4387 0.4387 0.4387 1.0227 1.0227 1.0227 1.0227 1.2109 1.2109 1.2109 1.2109 1.5453 1.5453 1.5453 1.5453 1.6976 1.6976 1.6976 1.6976 2.2573 2.2573 2.2573 2.2573 2.6051 2.6051 2.6051 2.6051 2.7166 2.7166 2.7166 2.7166 3.8375 3.8375 3.8375 3.8375 7.9456 7.9456 7.9456 7.9456 8.4187 8.4187 8.4187 8.4187 9.2403 9.2403 9.2403 9.2403 10.3473 10.3473 k = 0.5000 0.5000 0.2281 ( 23592 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4538 -4.4538 -4.4538 -4.4538 -3.0940 -3.0940 -3.0940 -3.0940 -3.0245 -3.0245 -3.0245 -3.0245 -0.6510 -0.6510 -0.6510 -0.6510 0.3581 0.3581 0.3581 0.3581 0.4364 0.4364 0.4364 0.4364 1.0232 1.0232 1.0232 1.0232 1.2115 1.2115 1.2115 1.2115 1.5452 1.5452 1.5452 1.5452 1.6970 1.6970 1.6970 1.6970 2.2563 2.2563 2.2563 2.2563 2.6062 2.6062 2.6062 2.6062 2.7232 2.7232 2.7232 2.7232 3.8374 3.8374 3.8374 3.8374 7.9335 7.9335 7.9335 7.9335 8.4597 8.4597 8.4597 8.4597 9.1801 9.1801 9.1801 9.1801 10.3529 10.3529 k = 0.5000 0.5000 0.2444 ( 23580 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4537 -4.4537 -4.4537 -4.4537 -3.0942 -3.0942 -3.0942 -3.0942 -3.0239 -3.0239 -3.0239 -3.0239 -0.6523 -0.6523 -0.6523 -0.6523 0.3581 0.3581 0.3581 0.3581 0.4350 0.4350 0.4350 0.4350 1.0235 1.0235 1.0235 1.0235 1.2119 1.2119 1.2119 1.2119 1.5452 1.5452 1.5452 1.5452 1.6967 1.6967 1.6967 1.6967 2.2557 2.2557 2.2557 2.2557 2.6068 2.6068 2.6068 2.6068 2.7272 2.7272 2.7272 2.7272 3.8374 3.8374 3.8374 3.8374 7.9260 7.9260 7.9260 7.9260 8.4883 8.4883 8.4883 8.4883 9.1400 9.1400 9.1400 9.1400 10.3549 10.3549 k = 0.5000 0.5000 0.2607 ( 23592 PWs) bands (ev): -15.6210 -15.6210 -15.6210 -15.6210 -10.3752 -10.3752 -10.3752 -10.3752 -9.8262 -9.8262 -9.8262 -9.8262 -4.4537 -4.4537 -4.4537 -4.4537 -3.0943 -3.0943 -3.0943 -3.0943 -3.0236 -3.0236 -3.0236 -3.0236 -0.6528 -0.6528 -0.6528 -0.6528 0.3581 0.3581 0.3581 0.3581 0.4346 0.4346 0.4346 0.4346 1.0236 1.0236 1.0236 1.0236 1.2120 1.2120 1.2120 1.2120 1.5452 1.5452 1.5452 1.5452 1.6966 1.6966 1.6966 1.6966 2.2555 2.2555 2.2555 2.2555 2.6070 2.6070 2.6070 2.6070 2.7286 2.7286 2.7286 2.7286 3.8374 3.8374 3.8374 3.8374 7.9235 7.9235 7.9235 7.9235 8.4987 8.4987 8.4987 8.4987 9.1258 9.1258 9.1258 9.1258 10.3554 10.3554 Writing output data file CsAgBr2.save init_run : 0.72s CPU 0.92s WALL ( 1 calls) electrons : 890.56s CPU 907.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 890.55s CPU 907.84s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.25s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.57s CPU 0.57s WALL ( 261 calls) cegterg : 826.06s CPU 841.48s WALL ( 596 calls) Called by sum_band: Called by *egterg: h_psi : 517.63s CPU 520.74s WALL ( 9648 calls) s_psi : 33.12s CPU 33.24s WALL ( 9648 calls) g_psi : 1.94s CPU 1.98s WALL ( 8791 calls) cdiaghg : 143.73s CPU 145.18s WALL ( 9052 calls) cegterg:over : 60.14s CPU 60.25s WALL ( 8791 calls) cegterg:upda : 69.46s CPU 69.53s WALL ( 8791 calls) cegterg:last : 30.69s CPU 30.65s WALL ( 1307 calls) cdiaghg:chol : 8.71s CPU 8.71s WALL ( 9052 calls) cdiaghg:inve : 6.51s CPU 6.41s WALL ( 9052 calls) cdiaghg:para : 10.60s CPU 11.25s WALL ( 18104 calls) Called by h_psi: h_psi:vloc : 428.32s CPU 431.71s WALL ( 9648 calls) h_psi:vnl : 85.50s CPU 85.23s WALL ( 9648 calls) add_vuspsi : 46.14s CPU 46.16s WALL ( 9648 calls) General routines calbec : 39.26s CPU 39.02s WALL ( 9648 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 404.31s CPU 407.43s WALL ( 1199220 calls) davcio : 0.19s CPU 0.78s WALL ( 522 calls) Parallel routines fft_scatter : 112.51s CPU 114.05s WALL ( 1199235 calls) PWSCF : 15m58.34s CPU 16m41.30s WALL This run was terminated on: 19:32:11 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=