Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 7:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YxBCx2.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 73 38 11 1885 708 117 Max 74 39 12 1889 727 120 Sum 2629 1389 421 67931 25767 4291 bravais-lattice index = 14 lattice parameter (alat) = 10.0773 a.u. unit-cell volume = 680.4638 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.077342 celldm(2)= 1.000000 celldm(3)= 0.664916 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.664916 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.503948 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 5) = ( 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 = 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 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 = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -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 = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(13) = ( -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 = 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028736 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0028736 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0028736 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0028736 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0028736 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028736 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0028736 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0028736 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028736 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0028736 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0028736 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0028736 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0028736 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0028736 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028736 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0028736 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0028736 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0028736 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028736 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0028736 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0028736 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028736 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0028736 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028736 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0028736 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028736 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0028736 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.0000000 0.0167105), wk = 0.0028736 k( 108) = ( 0.0000000 0.0000000 0.0334211), wk = 0.0028736 k( 109) = ( 0.0000000 0.0000000 0.0501316), wk = 0.0028736 k( 110) = ( 0.0000000 0.0000000 0.0668421), wk = 0.0028736 k( 111) = ( 0.0000000 0.0000000 0.0835527), wk = 0.0028736 k( 112) = ( 0.0000000 0.0000000 0.1002632), wk = 0.0028736 k( 113) = ( 0.0000000 0.0000000 0.1169738), wk = 0.0028736 k( 114) = ( 0.0000000 0.0000000 0.1336843), wk = 0.0028736 k( 115) = ( 0.0000000 0.0000000 0.1503948), wk = 0.0028736 k( 116) = ( 0.0000000 0.0000000 0.1671054), wk = 0.0028736 k( 117) = ( 0.0000000 0.0000000 0.1838159), wk = 0.0028736 k( 118) = ( 0.0000000 0.0000000 0.2005264), wk = 0.0028736 k( 119) = ( 0.0000000 0.0000000 0.2172370), wk = 0.0028736 k( 120) = ( 0.0000000 0.0000000 0.2339475), wk = 0.0028736 k( 121) = ( 0.0000000 0.0000000 0.2506581), wk = 0.0028736 k( 122) = ( 0.0000000 0.0000000 0.2673686), wk = 0.0028736 k( 123) = ( 0.0000000 0.0000000 0.2840791), wk = 0.0028736 k( 124) = ( 0.0000000 0.0000000 0.3007897), wk = 0.0028736 k( 125) = ( 0.0000000 0.0000000 0.3175002), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.3342107), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.3509213), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.3676318), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.3843424), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.4010529), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.4177634), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.4344740), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.4511845), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.4678950), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.4846056), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.5013161), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.5180266), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.5347372), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.5514477), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.5681583), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.5848688), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.6015793), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.6182899), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.6350004), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.6517109), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.6684215), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.6851320), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.7018426), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.7185531), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.7352636), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.7519742), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.7519742), wk = 0.0028736 k( 153) = ( 0.0000000 0.0166667 0.7519742), wk = 0.0028736 k( 154) = ( 0.0000000 0.0333333 0.7519742), wk = 0.0028736 k( 155) = ( 0.0000000 0.0500000 0.7519742), wk = 0.0028736 k( 156) = ( 0.0000000 0.0666667 0.7519742), wk = 0.0028736 k( 157) = ( 0.0000000 0.0833333 0.7519742), wk = 0.0028736 k( 158) = ( 0.0000000 0.1000000 0.7519742), wk = 0.0028736 k( 159) = ( 0.0000000 0.1166667 0.7519742), wk = 0.0028736 k( 160) = ( 0.0000000 0.1333333 0.7519742), wk = 0.0028736 k( 161) = ( 0.0000000 0.1500000 0.7519742), wk = 0.0028736 k( 162) = ( 0.0000000 0.1666667 0.7519742), wk = 0.0028736 k( 163) = ( 0.0000000 0.1833333 0.7519742), wk = 0.0028736 k( 164) = ( 0.0000000 0.2000000 0.7519742), wk = 0.0028736 k( 165) = ( 0.0000000 0.2166667 0.7519742), wk = 0.0028736 k( 166) = ( 0.0000000 0.2333333 0.7519742), wk = 0.0028736 k( 167) = ( 0.0000000 0.2500000 0.7519742), wk = 0.0028736 k( 168) = ( 0.0000000 0.2666667 0.7519742), wk = 0.0028736 k( 169) = ( 0.0000000 0.2833333 0.7519742), wk = 0.0028736 k( 170) = ( 0.0000000 0.3000000 0.7519742), wk = 0.0028736 k( 171) = ( 0.0000000 0.3166667 0.7519742), wk = 0.0028736 k( 172) = ( 0.0000000 0.3333333 0.7519742), wk = 0.0028736 k( 173) = ( 0.0000000 0.3500000 0.7519742), wk = 0.0028736 k( 174) = ( 0.0000000 0.3666667 0.7519742), wk = 0.0028736 k( 175) = ( 0.0000000 0.3833333 0.7519742), wk = 0.0028736 k( 176) = ( 0.0000000 0.4000000 0.7519742), wk = 0.0028736 k( 177) = ( 0.0000000 0.4166667 0.7519742), wk = 0.0028736 k( 178) = ( 0.0000000 0.4333333 0.7519742), wk = 0.0028736 k( 179) = ( 0.0000000 0.4500000 0.7519742), wk = 0.0028736 k( 180) = ( 0.0000000 0.4666667 0.7519742), wk = 0.0028736 k( 181) = ( 0.0000000 0.4833333 0.7519742), wk = 0.0028736 k( 182) = ( 0.0000000 0.5000000 0.7519742), wk = 0.0028736 k( 183) = ( 0.0000000 0.5000000 0.7519742), wk = 0.0028736 k( 184) = ( 0.0166667 0.5000000 0.7519742), wk = 0.0028736 k( 185) = ( 0.0333333 0.5000000 0.7519742), wk = 0.0028736 k( 186) = ( 0.0500000 0.5000000 0.7519742), wk = 0.0028736 k( 187) = ( 0.0666667 0.5000000 0.7519742), wk = 0.0028736 k( 188) = ( 0.0833333 0.5000000 0.7519742), wk = 0.0028736 k( 189) = ( 0.1000000 0.5000000 0.7519742), wk = 0.0028736 k( 190) = ( 0.1166667 0.5000000 0.7519742), wk = 0.0028736 k( 191) = ( 0.1333333 0.5000000 0.7519742), wk = 0.0028736 k( 192) = ( 0.1500000 0.5000000 0.7519742), wk = 0.0028736 k( 193) = ( 0.1666667 0.5000000 0.7519742), wk = 0.0028736 k( 194) = ( 0.1833333 0.5000000 0.7519742), wk = 0.0028736 k( 195) = ( 0.2000000 0.5000000 0.7519742), wk = 0.0028736 k( 196) = ( 0.2166667 0.5000000 0.7519742), wk = 0.0028736 k( 197) = ( 0.2333333 0.5000000 0.7519742), wk = 0.0028736 k( 198) = ( 0.2500000 0.5000000 0.7519742), wk = 0.0028736 k( 199) = ( 0.2666667 0.5000000 0.7519742), wk = 0.0028736 k( 200) = ( 0.2833333 0.5000000 0.7519742), wk = 0.0028736 k( 201) = ( 0.3000000 0.5000000 0.7519742), wk = 0.0028736 k( 202) = ( 0.3166667 0.5000000 0.7519742), wk = 0.0028736 k( 203) = ( 0.3333333 0.5000000 0.7519742), wk = 0.0028736 k( 204) = ( 0.3500000 0.5000000 0.7519742), wk = 0.0028736 k( 205) = ( 0.3666667 0.5000000 0.7519742), wk = 0.0028736 k( 206) = ( 0.3833333 0.5000000 0.7519742), wk = 0.0028736 k( 207) = ( 0.4000000 0.5000000 0.7519742), wk = 0.0028736 k( 208) = ( 0.4166667 0.5000000 0.7519742), wk = 0.0028736 k( 209) = ( 0.4333333 0.5000000 0.7519742), wk = 0.0028736 k( 210) = ( 0.4500000 0.5000000 0.7519742), wk = 0.0028736 k( 211) = ( 0.4666667 0.5000000 0.7519742), wk = 0.0028736 k( 212) = ( 0.4833333 0.5000000 0.7519742), wk = 0.0028736 k( 213) = ( 0.5000000 0.5000000 0.7519742), wk = 0.0028736 k( 214) = ( 0.5000000 0.5000000 0.7519742), wk = 0.0028736 k( 215) = ( 0.4880952 0.4880952 0.7519742), wk = 0.0028736 k( 216) = ( 0.4761905 0.4761905 0.7519742), wk = 0.0028736 k( 217) = ( 0.4642857 0.4642857 0.7519742), wk = 0.0028736 k( 218) = ( 0.4523810 0.4523809 0.7519742), wk = 0.0028736 k( 219) = ( 0.4404762 0.4404762 0.7519742), wk = 0.0028736 k( 220) = ( 0.4285714 0.4285714 0.7519742), wk = 0.0028736 k( 221) = ( 0.4166667 0.4166667 0.7519742), wk = 0.0028736 k( 222) = ( 0.4047619 0.4047619 0.7519742), wk = 0.0028736 k( 223) = ( 0.3928571 0.3928571 0.7519742), wk = 0.0028736 k( 224) = ( 0.3809524 0.3809524 0.7519742), wk = 0.0028736 k( 225) = ( 0.3690476 0.3690476 0.7519742), wk = 0.0028736 k( 226) = ( 0.3571429 0.3571429 0.7519742), wk = 0.0028736 k( 227) = ( 0.3452381 0.3452381 0.7519742), wk = 0.0028736 k( 228) = ( 0.3333333 0.3333333 0.7519742), wk = 0.0028736 k( 229) = ( 0.3214286 0.3214286 0.7519742), wk = 0.0028736 k( 230) = ( 0.3095238 0.3095238 0.7519742), wk = 0.0028736 k( 231) = ( 0.2976190 0.2976190 0.7519742), wk = 0.0028736 k( 232) = ( 0.2857143 0.2857143 0.7519742), wk = 0.0028736 k( 233) = ( 0.2738095 0.2738095 0.7519742), wk = 0.0028736 k( 234) = ( 0.2619048 0.2619048 0.7519742), wk = 0.0028736 k( 235) = ( 0.2500000 0.2500000 0.7519742), wk = 0.0028736 k( 236) = ( 0.2380952 0.2380952 0.7519742), wk = 0.0028736 k( 237) = ( 0.2261905 0.2261905 0.7519742), wk = 0.0028736 k( 238) = ( 0.2142857 0.2142857 0.7519742), wk = 0.0028736 k( 239) = ( 0.2023810 0.2023809 0.7519742), wk = 0.0028736 k( 240) = ( 0.1904762 0.1904762 0.7519742), wk = 0.0028736 k( 241) = ( 0.1785714 0.1785714 0.7519742), wk = 0.0028736 k( 242) = ( 0.1666667 0.1666667 0.7519742), wk = 0.0028736 k( 243) = ( 0.1547619 0.1547619 0.7519742), wk = 0.0028736 k( 244) = ( 0.1428571 0.1428571 0.7519742), wk = 0.0028736 k( 245) = ( 0.1309524 0.1309524 0.7519742), wk = 0.0028736 k( 246) = ( 0.1190476 0.1190476 0.7519742), wk = 0.0028736 k( 247) = ( 0.1071429 0.1071429 0.7519742), wk = 0.0028736 k( 248) = ( 0.0952381 0.0952381 0.7519742), wk = 0.0028736 k( 249) = ( 0.0833333 0.0833333 0.7519742), wk = 0.0028736 k( 250) = ( 0.0714286 0.0714286 0.7519742), wk = 0.0028736 k( 251) = ( 0.0595238 0.0595238 0.7519742), wk = 0.0028736 k( 252) = ( 0.0476191 0.0476190 0.7519742), wk = 0.0028736 k( 253) = ( 0.0357143 0.0357143 0.7519742), wk = 0.0028736 k( 254) = ( 0.0238095 0.0238095 0.7519742), wk = 0.0028736 k( 255) = ( 0.0119048 0.0119048 0.7519742), wk = 0.0028736 k( 256) = ( 0.0000000 0.0000000 0.7519742), wk = 0.0028736 k( 257) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.5000000 0.0167105), wk = 0.0028736 k( 259) = ( 0.0000000 0.5000000 0.0334211), wk = 0.0028736 k( 260) = ( 0.0000000 0.5000000 0.0501316), wk = 0.0028736 k( 261) = ( 0.0000000 0.5000000 0.0668421), wk = 0.0028736 k( 262) = ( 0.0000000 0.5000000 0.0835527), wk = 0.0028736 k( 263) = ( 0.0000000 0.5000000 0.1002632), wk = 0.0028736 k( 264) = ( 0.0000000 0.5000000 0.1169738), wk = 0.0028736 k( 265) = ( 0.0000000 0.5000000 0.1336843), wk = 0.0028736 k( 266) = ( 0.0000000 0.5000000 0.1503948), wk = 0.0028736 k( 267) = ( 0.0000000 0.5000000 0.1671054), wk = 0.0028736 k( 268) = ( 0.0000000 0.5000000 0.1838159), wk = 0.0028736 k( 269) = ( 0.0000000 0.5000000 0.2005264), wk = 0.0028736 k( 270) = ( 0.0000000 0.5000000 0.2172370), wk = 0.0028736 k( 271) = ( 0.0000000 0.5000000 0.2339475), wk = 0.0028736 k( 272) = ( 0.0000000 0.5000000 0.2506581), wk = 0.0028736 k( 273) = ( 0.0000000 0.5000000 0.2673686), wk = 0.0028736 k( 274) = ( 0.0000000 0.5000000 0.2840791), wk = 0.0028736 k( 275) = ( 0.0000000 0.5000000 0.3007897), wk = 0.0028736 k( 276) = ( 0.0000000 0.5000000 0.3175002), wk = 0.0028736 k( 277) = ( 0.0000000 0.5000000 0.3342107), wk = 0.0028736 k( 278) = ( 0.0000000 0.5000000 0.3509213), wk = 0.0028736 k( 279) = ( 0.0000000 0.5000000 0.3676318), wk = 0.0028736 k( 280) = ( 0.0000000 0.5000000 0.3843424), wk = 0.0028736 k( 281) = ( 0.0000000 0.5000000 0.4010529), wk = 0.0028736 k( 282) = ( 0.0000000 0.5000000 0.4177634), wk = 0.0028736 k( 283) = ( 0.0000000 0.5000000 0.4344740), wk = 0.0028736 k( 284) = ( 0.0000000 0.5000000 0.4511845), wk = 0.0028736 k( 285) = ( 0.0000000 0.5000000 0.4678950), wk = 0.0028736 k( 286) = ( 0.0000000 0.5000000 0.4846056), wk = 0.0028736 k( 287) = ( 0.0000000 0.5000000 0.5013161), wk = 0.0028736 k( 288) = ( 0.0000000 0.5000000 0.5180266), wk = 0.0028736 k( 289) = ( 0.0000000 0.5000000 0.5347372), wk = 0.0028736 k( 290) = ( 0.0000000 0.5000000 0.5514477), wk = 0.0028736 k( 291) = ( 0.0000000 0.5000000 0.5681583), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 0.5848688), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.6015793), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.6182899), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.6350004), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.6517109), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.6684215), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.6851320), wk = 0.0028736 k( 299) = ( 0.0000000 0.5000000 0.7018426), wk = 0.0028736 k( 300) = ( 0.0000000 0.5000000 0.7185531), wk = 0.0028736 k( 301) = ( 0.0000000 0.5000000 0.7352636), wk = 0.0028736 k( 302) = ( 0.0000000 0.5000000 0.7519742), wk = 0.0028736 k( 303) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 304) = ( 0.5000000 0.5000000 0.0167105), wk = 0.0028736 k( 305) = ( 0.5000000 0.5000000 0.0334211), wk = 0.0028736 k( 306) = ( 0.5000000 0.5000000 0.0501316), wk = 0.0028736 k( 307) = ( 0.5000000 0.5000000 0.0668421), wk = 0.0028736 k( 308) = ( 0.5000000 0.5000000 0.0835527), wk = 0.0028736 k( 309) = ( 0.5000000 0.5000000 0.1002632), wk = 0.0028736 k( 310) = ( 0.5000000 0.5000000 0.1169738), wk = 0.0028736 k( 311) = ( 0.5000000 0.5000000 0.1336843), wk = 0.0028736 k( 312) = ( 0.5000000 0.5000000 0.1503948), wk = 0.0028736 k( 313) = ( 0.5000000 0.5000000 0.1671054), wk = 0.0028736 k( 314) = ( 0.5000000 0.5000000 0.1838159), wk = 0.0028736 k( 315) = ( 0.5000000 0.5000000 0.2005264), wk = 0.0028736 k( 316) = ( 0.5000000 0.5000000 0.2172370), wk = 0.0028736 k( 317) = ( 0.5000000 0.5000000 0.2339475), wk = 0.0028736 k( 318) = ( 0.5000000 0.5000000 0.2506581), wk = 0.0028736 k( 319) = ( 0.5000000 0.5000000 0.2673686), wk = 0.0028736 k( 320) = ( 0.5000000 0.5000000 0.2840791), wk = 0.0028736 k( 321) = ( 0.5000000 0.5000000 0.3007897), wk = 0.0028736 k( 322) = ( 0.5000000 0.5000000 0.3175002), wk = 0.0028736 k( 323) = ( 0.5000000 0.5000000 0.3342107), wk = 0.0028736 k( 324) = ( 0.5000000 0.5000000 0.3509213), wk = 0.0028736 k( 325) = ( 0.5000000 0.5000000 0.3676318), wk = 0.0028736 k( 326) = ( 0.5000000 0.5000000 0.3843424), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 0.4010529), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.4177634), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 0.4344740), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.4511845), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.4678950), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.4846056), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.5013161), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.5180266), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.5347372), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.5514477), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.5681583), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.5848688), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.6015793), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.6182899), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.6350004), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.6517109), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.6684215), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.6851320), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.7018426), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.7185531), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.7352636), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.7519742), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0028736 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0028736 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0028736 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0028736 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0028736 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028736 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0028736 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0028736 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028736 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0028736 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0028736 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0028736 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028736 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0028736 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0028736 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028736 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0028736 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0028736 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0028736 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0028736 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0028736 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028736 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0028736 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028736 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028736 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0028736 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028736 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0028736 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0028736 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0028736 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0028736 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0028736 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0028736 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0028736 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0028736 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0028736 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0028736 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0028736 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0028736 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0028736 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0028736 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0028736 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0028736 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0028736 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028736 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028736 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0028736 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028736 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0028736 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028736 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028736 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0028736 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0028736 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028736 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028736 k( 93) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028736 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0028736 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0028736 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028736 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028736 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0028736 k( 101) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028736 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0028736 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0028736 k( 108) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0028736 k( 109) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028736 k( 110) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0028736 k( 111) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028736 k( 112) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028736 k( 113) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0028736 k( 114) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0028736 k( 115) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028736 k( 117) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0028736 k( 118) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028736 k( 119) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0028736 k( 120) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0028736 k( 121) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 122) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0028736 k( 123) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0028736 k( 124) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 153) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0028736 k( 154) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0028736 k( 155) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028736 k( 156) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0028736 k( 157) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0028736 k( 158) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0028736 k( 160) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0028736 k( 161) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028736 k( 163) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0028736 k( 164) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0028736 k( 166) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0028736 k( 167) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028736 k( 168) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0028736 k( 169) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0028736 k( 170) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0028736 k( 172) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028736 k( 173) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028736 k( 174) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0028736 k( 175) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0028736 k( 178) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0028736 k( 179) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028736 k( 180) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0028736 k( 181) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0028736 k( 182) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028736 k( 193) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028736 k( 194) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0028736 k( 195) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028736 k( 196) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0028736 k( 197) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0028736 k( 198) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028736 k( 199) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0028736 k( 200) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0028736 k( 201) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028736 k( 202) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0028736 k( 203) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028736 k( 204) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028736 k( 205) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0028736 k( 206) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0028736 k( 207) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028736 k( 208) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0028736 k( 209) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0028736 k( 210) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028736 k( 211) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0028736 k( 212) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0028736 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 215) = ( 0.4880952 0.4880952 0.5000000), wk = 0.0028736 k( 216) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0028736 k( 217) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0028736 k( 218) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0028736 k( 219) = ( 0.4404762 0.4404762 0.5000000), wk = 0.0028736 k( 220) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0028736 k( 221) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0028736 k( 222) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0028736 k( 223) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0028736 k( 224) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0028736 k( 225) = ( 0.3690476 0.3690476 0.5000000), wk = 0.0028736 k( 226) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0028736 k( 227) = ( 0.3452381 0.3452381 0.5000000), wk = 0.0028736 k( 228) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 229) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028736 k( 230) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028736 k( 231) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028736 k( 232) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028736 k( 233) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028736 k( 234) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028736 k( 235) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028736 k( 236) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028736 k( 237) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028736 k( 238) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028736 k( 239) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028736 k( 240) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028736 k( 241) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028736 k( 242) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028736 k( 243) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028736 k( 244) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028736 k( 245) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028736 k( 246) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028736 k( 247) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028736 k( 248) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028736 k( 249) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028736 k( 250) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028736 k( 251) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028736 k( 252) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028736 k( 253) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028736 k( 254) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028736 k( 255) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028736 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 257) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0028736 k( 259) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0028736 k( 260) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028736 k( 261) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0028736 k( 262) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0028736 k( 263) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028736 k( 264) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0028736 k( 265) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0028736 k( 266) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028736 k( 267) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0028736 k( 268) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0028736 k( 269) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028736 k( 270) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0028736 k( 271) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0028736 k( 272) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 273) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0028736 k( 274) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0028736 k( 275) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028736 k( 276) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0028736 k( 277) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0028736 k( 278) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028736 k( 279) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0028736 k( 280) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0028736 k( 281) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028736 k( 282) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0028736 k( 283) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0028736 k( 284) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028736 k( 285) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0028736 k( 286) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0028736 k( 287) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 288) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0028736 k( 289) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0028736 k( 290) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028736 k( 291) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0028736 k( 299) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028736 k( 300) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0028736 k( 301) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0028736 k( 302) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 303) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 304) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0028736 k( 305) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0028736 k( 306) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028736 k( 307) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0028736 k( 308) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028736 k( 309) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028736 k( 310) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0028736 k( 311) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0028736 k( 312) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028736 k( 313) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028736 k( 314) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0028736 k( 315) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028736 k( 316) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0028736 k( 317) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0028736 k( 318) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 319) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0028736 k( 320) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0028736 k( 321) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028736 k( 322) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0028736 k( 323) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028736 k( 324) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028736 k( 325) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0028736 k( 326) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 67931 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 25767 G-vectors FFT dimensions: ( 45, 45, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 184, 60) NL pseudopotentials 0.25 Mb ( 92, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1889) G-vector shells 0.01 Mb ( 919) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 184, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.33 Mb ( 180, 2, 60) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./YxBCx2.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 18.0 secs Computing kpt #: 34 total cpu time spent up to now is 18.4 secs Computing kpt #: 35 total cpu time spent up to now is 18.8 secs Computing kpt #: 36 total cpu time spent up to now is 19.3 secs Computing kpt #: 37 total cpu time spent up to now is 19.7 secs Computing kpt #: 38 total cpu time spent up to now is 20.1 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.0 secs Computing kpt #: 41 total cpu time spent up to now is 21.5 secs Computing kpt #: 42 total cpu time spent up to now is 21.9 secs Computing kpt #: 43 total cpu time spent up to now is 22.4 secs Computing kpt #: 44 total cpu time spent up to now is 22.8 secs Computing kpt #: 45 total cpu time spent up to now is 23.3 secs Computing kpt #: 46 total cpu time spent up to now is 23.8 secs Computing kpt #: 47 total cpu time spent up to now is 24.2 secs Computing kpt #: 48 total cpu time spent up to now is 24.7 secs Computing kpt #: 49 total cpu time spent up to now is 25.2 secs Computing kpt #: 50 total cpu time spent up to now is 25.7 secs Computing kpt #: 51 total cpu time spent up to now is 26.2 secs Computing kpt #: 52 total cpu time spent up to now is 26.7 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.9 secs Computing kpt #: 57 total cpu time spent up to now is 29.5 secs Computing kpt #: 58 total cpu time spent up to now is 30.1 secs Computing kpt #: 59 total cpu time spent up to now is 30.7 secs Computing kpt #: 60 total cpu time spent up to now is 31.3 secs Computing kpt #: 61 total cpu time spent up to now is 31.8 secs Computing kpt #: 62 total cpu time spent up to now is 32.3 secs Computing kpt #: 63 total cpu time spent up to now is 32.8 secs Computing kpt #: 64 total cpu time spent up to now is 33.4 secs Computing kpt #: 65 total cpu time spent up to now is 34.0 secs Computing kpt #: 66 total cpu time spent up to now is 34.6 secs Computing kpt #: 67 total cpu time spent up to now is 35.5 secs Computing kpt #: 68 total cpu time spent up to now is 36.3 secs Computing kpt #: 69 total cpu time spent up to now is 37.0 secs Computing kpt #: 70 total cpu time spent up to now is 37.6 secs Computing kpt #: 71 total cpu time spent up to now is 38.5 secs Computing kpt #: 72 total cpu time spent up to now is 39.1 secs Computing kpt #: 73 total cpu time spent up to now is 39.6 secs Computing kpt #: 74 total cpu time spent up to now is 40.1 secs Computing kpt #: 75 total cpu time spent up to now is 40.5 secs Computing kpt #: 76 total cpu time spent up to now is 41.0 secs Computing kpt #: 77 total cpu time spent up to now is 41.4 secs Computing kpt #: 78 total cpu time spent up to now is 41.8 secs Computing kpt #: 79 total cpu time spent up to now is 42.3 secs Computing kpt #: 80 total cpu time spent up to now is 42.7 secs Computing kpt #: 81 total cpu time spent up to now is 43.1 secs Computing kpt #: 82 total cpu time spent up to now is 43.5 secs Computing kpt #: 83 total cpu time spent up to now is 43.9 secs Computing kpt #: 84 total cpu time spent up to now is 44.4 secs Computing kpt #: 85 total cpu time spent up to now is 44.8 secs Computing kpt #: 86 total cpu time spent up to now is 45.2 secs Computing kpt #: 87 total cpu time spent up to now is 45.6 secs Computing kpt #: 88 total cpu time spent up to now is 46.0 secs Computing kpt #: 89 total cpu time spent up to now is 46.4 secs Computing kpt #: 90 total cpu time spent up to now is 46.8 secs Computing kpt #: 91 total cpu time spent up to now is 47.2 secs Computing kpt #: 92 total cpu time spent up to now is 47.6 secs Computing kpt #: 93 total cpu time spent up to now is 48.0 secs Computing kpt #: 94 total cpu time spent up to now is 48.4 secs Computing kpt #: 95 total cpu time spent up to now is 48.9 secs Computing kpt #: 96 total cpu time spent up to now is 49.3 secs Computing kpt #: 97 total cpu time spent up to now is 49.7 secs Computing kpt #: 98 total cpu time spent up to now is 50.2 secs Computing kpt #: 99 total cpu time spent up to now is 50.7 secs Computing kpt #: 100 total cpu time spent up to now is 51.2 secs Computing kpt #: 101 total cpu time spent up to now is 51.7 secs Computing kpt #: 102 total cpu time spent up to now is 52.0 secs Computing kpt #: 103 total cpu time spent up to now is 52.4 secs Computing kpt #: 104 total cpu time spent up to now is 52.8 secs Computing kpt #: 105 total cpu time spent up to now is 53.2 secs Computing kpt #: 106 total cpu time spent up to now is 53.6 secs Computing kpt #: 107 total cpu time spent up to now is 54.0 secs Computing kpt #: 108 total cpu time spent up to now is 54.4 secs Computing kpt #: 109 total cpu time spent up to now is 54.9 secs Computing kpt #: 110 total cpu time spent up to now is 55.5 secs Computing kpt #: 111 total cpu time spent up to now is 55.9 secs Computing kpt #: 112 total cpu time spent up to now is 56.3 secs Computing kpt #: 113 total cpu time spent up to now is 56.7 secs Computing kpt #: 114 total cpu time spent up to now is 57.1 secs Computing kpt #: 115 total cpu time spent up to now is 57.6 secs Computing kpt #: 116 total cpu time spent up to now is 58.0 secs Computing kpt #: 117 total cpu time spent up to now is 58.4 secs Computing kpt #: 118 total cpu time spent up to now is 58.8 secs Computing kpt #: 119 total cpu time spent up to now is 59.3 secs Computing kpt #: 120 total cpu time spent up to now is 59.8 secs Computing kpt #: 121 total cpu time spent up to now is 60.2 secs Computing kpt #: 122 total cpu time spent up to now is 60.7 secs Computing kpt #: 123 total cpu time spent up to now is 61.3 secs Computing kpt #: 124 total cpu time spent up to now is 61.9 secs Computing kpt #: 125 total cpu time spent up to now is 62.5 secs Computing kpt #: 126 total cpu time spent up to now is 63.1 secs Computing kpt #: 127 total cpu time spent up to now is 63.8 secs Computing kpt #: 128 total cpu time spent up to now is 64.5 secs Computing kpt #: 129 total cpu time spent up to now is 65.1 secs Computing kpt #: 130 total cpu time spent up to now is 65.7 secs Computing kpt #: 131 total cpu time spent up to now is 66.4 secs Computing kpt #: 132 total cpu time spent up to now is 67.3 secs Computing kpt #: 133 total cpu time spent up to now is 68.1 secs Computing kpt #: 134 total cpu time spent up to now is 68.9 secs Computing kpt #: 135 total cpu time spent up to now is 69.8 secs Computing kpt #: 136 total cpu time spent up to now is 70.7 secs Computing kpt #: 137 total cpu time spent up to now is 71.3 secs Computing kpt #: 138 total cpu time spent up to now is 71.8 secs Computing kpt #: 139 total cpu time spent up to now is 72.4 secs Computing kpt #: 140 total cpu time spent up to now is 72.9 secs Computing kpt #: 141 total cpu time spent up to now is 73.5 secs Computing kpt #: 142 total cpu time spent up to now is 74.1 secs Computing kpt #: 143 total cpu time spent up to now is 74.7 secs Computing kpt #: 144 total cpu time spent up to now is 75.3 secs Computing kpt #: 145 total cpu time spent up to now is 75.9 secs Computing kpt #: 146 total cpu time spent up to now is 76.5 secs Computing kpt #: 147 total cpu time spent up to now is 77.0 secs Computing kpt #: 148 total cpu time spent up to now is 77.6 secs Computing kpt #: 149 total cpu time spent up to now is 78.1 secs Computing kpt #: 150 total cpu time spent up to now is 78.7 secs Computing kpt #: 151 total cpu time spent up to now is 79.2 secs Computing kpt #: 152 total cpu time spent up to now is 79.7 secs Computing kpt #: 153 total cpu time spent up to now is 80.2 secs Computing kpt #: 154 total cpu time spent up to now is 80.8 secs Computing kpt #: 155 total cpu time spent up to now is 81.4 secs Computing kpt #: 156 total cpu time spent up to now is 82.0 secs Computing kpt #: 157 total cpu time spent up to now is 82.5 secs Computing kpt #: 158 total cpu time spent up to now is 83.1 secs Computing kpt #: 159 total cpu time spent up to now is 83.6 secs Computing kpt #: 160 total cpu time spent up to now is 84.1 secs Computing kpt #: 161 total cpu time spent up to now is 84.5 secs Computing kpt #: 162 total cpu time spent up to now is 85.0 secs Computing kpt #: 163 total cpu time spent up to now is 85.4 secs Computing kpt #: 164 total cpu time spent up to now is 85.8 secs Computing kpt #: 165 total cpu time spent up to now is 86.3 secs Computing kpt #: 166 total cpu time spent up to now is 86.7 secs Computing kpt #: 167 total cpu time spent up to now is 87.2 secs Computing kpt #: 168 total cpu time spent up to now is 87.6 secs Computing kpt #: 169 total cpu time spent up to now is 88.1 secs Computing kpt #: 170 total cpu time spent up to now is 88.5 secs Computing kpt #: 171 total cpu time spent up to now is 89.0 secs Computing kpt #: 172 total cpu time spent up to now is 89.4 secs Computing kpt #: 173 total cpu time spent up to now is 89.9 secs Computing kpt #: 174 total cpu time spent up to now is 90.5 secs Computing kpt #: 175 total cpu time spent up to now is 91.0 secs Computing kpt #: 176 total cpu time spent up to now is 91.5 secs Computing kpt #: 177 total cpu time spent up to now is 92.0 secs Computing kpt #: 178 total cpu time spent up to now is 92.5 secs Computing kpt #: 179 total cpu time spent up to now is 93.1 secs Computing kpt #: 180 total cpu time spent up to now is 93.6 secs Computing kpt #: 181 total cpu time spent up to now is 94.2 secs Computing kpt #: 182 total cpu time spent up to now is 94.7 secs Computing kpt #: 183 total cpu time spent up to now is 95.2 secs Computing kpt #: 184 total cpu time spent up to now is 95.7 secs Computing kpt #: 185 total cpu time spent up to now is 96.3 secs Computing kpt #: 186 total cpu time spent up to now is 96.8 secs Computing kpt #: 187 total cpu time spent up to now is 97.3 secs Computing kpt #: 188 total cpu time spent up to now is 97.8 secs Computing kpt #: 189 total cpu time spent up to now is 98.3 secs Computing kpt #: 190 total cpu time spent up to now is 98.8 secs Computing kpt #: 191 total cpu time spent up to now is 99.3 secs Computing kpt #: 192 total cpu time spent up to now is 99.9 secs Computing kpt #: 193 total cpu time spent up to now is 100.4 secs Computing kpt #: 194 total cpu time spent up to now is 101.0 secs Computing kpt #: 195 total cpu time spent up to now is 101.6 secs Computing kpt #: 196 total cpu time spent up to now is 102.2 secs Computing kpt #: 197 total cpu time spent up to now is 102.8 secs Computing kpt #: 198 total cpu time spent up to now is 103.4 secs Computing kpt #: 199 total cpu time spent up to now is 104.1 secs Computing kpt #: 200 total cpu time spent up to now is 104.7 secs Computing kpt #: 201 total cpu time spent up to now is 105.3 secs Computing kpt #: 202 total cpu time spent up to now is 105.9 secs Computing kpt #: 203 total cpu time spent up to now is 106.5 secs Computing kpt #: 204 total cpu time spent up to now is 107.1 secs Computing kpt #: 205 total cpu time spent up to now is 107.7 secs Computing kpt #: 206 total cpu time spent up to now is 108.3 secs Computing kpt #: 207 total cpu time spent up to now is 108.9 secs Computing kpt #: 208 total cpu time spent up to now is 109.5 secs Computing kpt #: 209 total cpu time spent up to now is 110.1 secs Computing kpt #: 210 total cpu time spent up to now is 110.6 secs Computing kpt #: 211 total cpu time spent up to now is 111.1 secs Computing kpt #: 212 total cpu time spent up to now is 111.7 secs Computing kpt #: 213 total cpu time spent up to now is 112.5 secs Computing kpt #: 214 total cpu time spent up to now is 113.3 secs Computing kpt #: 215 total cpu time spent up to now is 114.1 secs Computing kpt #: 216 total cpu time spent up to now is 115.0 secs Computing kpt #: 217 total cpu time spent up to now is 116.2 secs Computing kpt #: 218 total cpu time spent up to now is 116.8 secs Computing kpt #: 219 total cpu time spent up to now is 117.3 secs Computing kpt #: 220 total cpu time spent up to now is 117.9 secs Computing kpt #: 221 total cpu time spent up to now is 118.5 secs Computing kpt #: 222 total cpu time spent up to now is 119.0 secs Computing kpt #: 223 total cpu time spent up to now is 119.6 secs Computing kpt #: 224 total cpu time spent up to now is 120.2 secs Computing kpt #: 225 total cpu time spent up to now is 120.8 secs Computing kpt #: 226 total cpu time spent up to now is 121.4 secs Computing kpt #: 227 total cpu time spent up to now is 122.0 secs Computing kpt #: 228 total cpu time spent up to now is 122.6 secs Computing kpt #: 229 total cpu time spent up to now is 123.2 secs Computing kpt #: 230 total cpu time spent up to now is 123.9 secs Computing kpt #: 231 total cpu time spent up to now is 124.7 secs Computing kpt #: 232 total cpu time spent up to now is 125.6 secs Computing kpt #: 233 total cpu time spent up to now is 126.5 secs Computing kpt #: 234 total cpu time spent up to now is 127.1 secs Computing kpt #: 235 total cpu time spent up to now is 127.7 secs Computing kpt #: 236 total cpu time spent up to now is 128.3 secs Computing kpt #: 237 total cpu time spent up to now is 128.9 secs Computing kpt #: 238 total cpu time spent up to now is 129.5 secs Computing kpt #: 239 total cpu time spent up to now is 130.0 secs Computing kpt #: 240 total cpu time spent up to now is 130.5 secs Computing kpt #: 241 total cpu time spent up to now is 130.9 secs Computing kpt #: 242 total cpu time spent up to now is 131.4 secs Computing kpt #: 243 total cpu time spent up to now is 131.8 secs Computing kpt #: 244 total cpu time spent up to now is 132.2 secs Computing kpt #: 245 total cpu time spent up to now is 132.7 secs Computing kpt #: 246 total cpu time spent up to now is 133.1 secs Computing kpt #: 247 total cpu time spent up to now is 133.5 secs Computing kpt #: 248 total cpu time spent up to now is 133.9 secs Computing kpt #: 249 total cpu time spent up to now is 134.3 secs Computing kpt #: 250 total cpu time spent up to now is 134.8 secs Computing kpt #: 251 total cpu time spent up to now is 135.3 secs Computing kpt #: 252 total cpu time spent up to now is 135.9 secs Computing kpt #: 253 total cpu time spent up to now is 136.5 secs Computing kpt #: 254 total cpu time spent up to now is 137.0 secs Computing kpt #: 255 total cpu time spent up to now is 137.6 secs Computing kpt #: 256 total cpu time spent up to now is 138.1 secs Computing kpt #: 257 total cpu time spent up to now is 138.5 secs Computing kpt #: 258 total cpu time spent up to now is 139.0 secs Computing kpt #: 259 total cpu time spent up to now is 139.4 secs Computing kpt #: 260 total cpu time spent up to now is 139.9 secs Computing kpt #: 261 total cpu time spent up to now is 140.4 secs Computing kpt #: 262 total cpu time spent up to now is 140.8 secs Computing kpt #: 263 total cpu time spent up to now is 141.3 secs Computing kpt #: 264 total cpu time spent up to now is 141.7 secs Computing kpt #: 265 total cpu time spent up to now is 142.2 secs Computing kpt #: 266 total cpu time spent up to now is 142.7 secs Computing kpt #: 267 total cpu time spent up to now is 143.1 secs Computing kpt #: 268 total cpu time spent up to now is 143.6 secs Computing kpt #: 269 total cpu time spent up to now is 144.0 secs Computing kpt #: 270 total cpu time spent up to now is 144.5 secs Computing kpt #: 271 total cpu time spent up to now is 145.0 secs Computing kpt #: 272 total cpu time spent up to now is 145.4 secs Computing kpt #: 273 total cpu time spent up to now is 145.9 secs Computing kpt #: 274 total cpu time spent up to now is 146.4 secs Computing kpt #: 275 total cpu time spent up to now is 146.8 secs Computing kpt #: 276 total cpu time spent up to now is 147.3 secs Computing kpt #: 277 total cpu time spent up to now is 147.8 secs Computing kpt #: 278 total cpu time spent up to now is 148.2 secs Computing kpt #: 279 total cpu time spent up to now is 148.7 secs Computing kpt #: 280 total cpu time spent up to now is 149.2 secs Computing kpt #: 281 total cpu time spent up to now is 149.6 secs Computing kpt #: 282 total cpu time spent up to now is 150.1 secs Computing kpt #: 283 total cpu time spent up to now is 150.6 secs Computing kpt #: 284 total cpu time spent up to now is 151.1 secs Computing kpt #: 285 total cpu time spent up to now is 151.6 secs Computing kpt #: 286 total cpu time spent up to now is 152.1 secs Computing kpt #: 287 total cpu time spent up to now is 152.6 secs Computing kpt #: 288 total cpu time spent up to now is 153.0 secs Computing kpt #: 289 total cpu time spent up to now is 153.5 secs Computing kpt #: 290 total cpu time spent up to now is 154.0 secs Computing kpt #: 291 total cpu time spent up to now is 154.5 secs Computing kpt #: 292 total cpu time spent up to now is 155.0 secs Computing kpt #: 293 total cpu time spent up to now is 155.4 secs Computing kpt #: 294 total cpu time spent up to now is 155.9 secs Computing kpt #: 295 total cpu time spent up to now is 156.5 secs Computing kpt #: 296 total cpu time spent up to now is 157.0 secs Computing kpt #: 297 total cpu time spent up to now is 157.6 secs Computing kpt #: 298 total cpu time spent up to now is 158.1 secs Computing kpt #: 299 total cpu time spent up to now is 158.7 secs Computing kpt #: 300 total cpu time spent up to now is 159.2 secs Computing kpt #: 301 total cpu time spent up to now is 159.8 secs Computing kpt #: 302 total cpu time spent up to now is 160.3 secs Computing kpt #: 303 total cpu time spent up to now is 160.8 secs Computing kpt #: 304 total cpu time spent up to now is 161.4 secs Computing kpt #: 305 total cpu time spent up to now is 161.9 secs Computing kpt #: 306 total cpu time spent up to now is 162.5 secs Computing kpt #: 307 total cpu time spent up to now is 163.0 secs Computing kpt #: 308 total cpu time spent up to now is 163.5 secs Computing kpt #: 309 total cpu time spent up to now is 164.1 secs Computing kpt #: 310 total cpu time spent up to now is 164.5 secs Computing kpt #: 311 total cpu time spent up to now is 165.0 secs Computing kpt #: 312 total cpu time spent up to now is 165.4 secs Computing kpt #: 313 total cpu time spent up to now is 165.9 secs Computing kpt #: 314 total cpu time spent up to now is 166.3 secs Computing kpt #: 315 total cpu time spent up to now is 166.9 secs Computing kpt #: 316 total cpu time spent up to now is 167.5 secs Computing kpt #: 317 total cpu time spent up to now is 168.1 secs Computing kpt #: 318 total cpu time spent up to now is 168.8 secs Computing kpt #: 319 total cpu time spent up to now is 169.5 secs Computing kpt #: 320 total cpu time spent up to now is 170.1 secs Computing kpt #: 321 total cpu time spent up to now is 170.8 secs Computing kpt #: 322 total cpu time spent up to now is 171.3 secs Computing kpt #: 323 total cpu time spent up to now is 171.9 secs Computing kpt #: 324 total cpu time spent up to now is 172.4 secs Computing kpt #: 325 total cpu time spent up to now is 172.9 secs Computing kpt #: 326 total cpu time spent up to now is 173.5 secs Computing kpt #: 327 total cpu time spent up to now is 173.9 secs Computing kpt #: 328 total cpu time spent up to now is 174.4 secs Computing kpt #: 329 total cpu time spent up to now is 174.9 secs Computing kpt #: 330 total cpu time spent up to now is 175.4 secs Computing kpt #: 331 total cpu time spent up to now is 175.8 secs Computing kpt #: 332 total cpu time spent up to now is 176.3 secs Computing kpt #: 333 total cpu time spent up to now is 176.7 secs Computing kpt #: 334 total cpu time spent up to now is 177.2 secs Computing kpt #: 335 total cpu time spent up to now is 177.6 secs Computing kpt #: 336 total cpu time spent up to now is 178.1 secs Computing kpt #: 337 total cpu time spent up to now is 178.5 secs Computing kpt #: 338 total cpu time spent up to now is 179.0 secs Computing kpt #: 339 total cpu time spent up to now is 179.5 secs Computing kpt #: 340 total cpu time spent up to now is 179.9 secs Computing kpt #: 341 total cpu time spent up to now is 180.5 secs Computing kpt #: 342 total cpu time spent up to now is 181.0 secs Computing kpt #: 343 total cpu time spent up to now is 181.5 secs Computing kpt #: 344 total cpu time spent up to now is 182.0 secs Computing kpt #: 345 total cpu time spent up to now is 182.5 secs Computing kpt #: 346 total cpu time spent up to now is 183.1 secs Computing kpt #: 347 total cpu time spent up to now is 183.9 secs Computing kpt #: 348 total cpu time spent up to now is 184.7 secs ethr = 2.00E-08, avg # of iterations = 23.2 total cpu time spent up to now is 184.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3297 PWs) bands (ev): -30.2749 -30.2749 -30.2471 -30.2471 -11.3905 -11.3905 -11.2542 -11.2542 -10.0888 -10.0888 -9.8863 -9.8863 -9.8490 -9.8490 -9.8035 -9.8035 -3.6722 -3.6722 -1.7061 -1.7061 0.2073 0.2073 0.2799 0.2799 2.9811 2.9811 4.0393 4.0393 4.2670 4.2670 5.1597 5.1597 5.2006 5.2006 7.5731 7.5731 9.2542 9.2542 9.2618 9.2618 9.7567 9.7567 10.4012 10.4012 10.4132 10.4132 10.5340 10.5340 11.5197 11.5197 13.3930 13.3930 14.0440 14.0440 14.0684 14.0684 14.1817 14.1817 14.9676 14.9676 k = 0.0000 0.0167-0.0000 ( 3293 PWs) bands (ev): -30.2749 -30.2749 -30.2471 -30.2471 -11.3904 -11.3904 -11.2543 -11.2543 -10.0886 -10.0886 -9.8863 -9.8863 -9.8490 -9.8490 -9.8038 -9.8038 -3.6709 -3.6709 -1.7074 -1.7074 0.2072 0.2072 0.2797 0.2797 2.9792 2.9792 4.0322 4.0322 4.2701 4.2701 5.1658 5.1658 5.2066 5.2066 7.5732 7.5732 9.2497 9.2497 9.2607 9.2607 9.7528 9.7528 10.3977 10.3977 10.4096 10.4096 10.5421 10.5421 11.5207 11.5207 13.3967 13.3967 13.9738 13.9738 14.0595 14.0595 14.2662 14.2662 14.9674 14.9674 k = 0.0000 0.0333-0.0000 ( 3285 PWs) bands (ev): -30.2748 -30.2748 -30.2472 -30.2472 -11.3902 -11.3902 -11.2546 -11.2546 -10.0881 -10.0881 -9.8862 -9.8862 -9.8492 -9.8492 -9.8045 -9.8045 -3.6672 -3.6672 -1.7111 -1.7111 0.2069 0.2069 0.2790 0.2790 2.9734 2.9734 4.0117 4.0117 4.2795 4.2795 5.1833 5.1833 5.2247 5.2247 7.5733 7.5733 9.2306 9.2306 9.2635 9.2635 9.7408 9.7408 10.3870 10.3870 10.3989 10.3989 10.5656 10.5656 11.5238 11.5238 13.4080 13.4080 13.8552 13.8552 14.0656 14.0656 14.3951 14.3951 14.9669 14.9669 k = 0.0000 0.0500-0.0000 ( 3273 PWs) bands (ev): -30.2747 -30.2747 -30.2473 -30.2473 -11.3897 -11.3897 -11.2551 -11.2551 -10.0873 -10.0873 -9.8862 -9.8862 -9.8494 -9.8494 -9.8057 -9.8057 -3.6611 -3.6611 -1.7173 -1.7173 0.2065 0.2065 0.2781 0.2781 2.9638 2.9638 3.9790 3.9790 4.2953 4.2953 5.2102 5.2102 5.2552 5.2552 7.5736 7.5736 9.1991 9.1991 9.2697 9.2697 9.7209 9.7209 10.3692 10.3692 10.3815 10.3815 10.6029 10.6029 11.5290 11.5290 13.4265 13.4265 13.7356 13.7356 14.0768 14.0768 14.5309 14.5309 14.9661 14.9661 k = 0.0000 0.0667-0.0000 ( 3273 PWs) bands (ev): -30.2746 -30.2746 -30.2474 -30.2474 -11.3891 -11.3891 -11.2558 -11.2558 -10.0862 -10.0862 -9.8862 -9.8862 -9.8498 -9.8498 -9.8073 -9.8073 -3.6525 -3.6525 -1.7260 -1.7260 0.2058 0.2058 0.2770 0.2770 2.9507 2.9507 3.9364 3.9364 4.3175 4.3175 5.2448 5.2448 5.2973 5.2973 7.5741 7.5741 9.1578 9.1578 9.2785 9.2785 9.6929 9.6929 10.3443 10.3443 10.3578 10.3578 10.6517 10.6517 11.5365 11.5365 13.4520 13.4520 13.6191 13.6191 14.0926 14.0926 14.6702 14.6702 14.9650 14.9650 k = 0.0000 0.0833-0.0000 ( 3261 PWs) bands (ev): -30.2744 -30.2744 -30.2475 -30.2475 -11.3883 -11.3883 -11.2566 -11.2566 -10.0848 -10.0848 -9.8861 -9.8861 -9.8502 -9.8502 -9.8094 -9.8094 -3.6414 -3.6414 -1.7372 -1.7372 0.2047 0.2047 0.2760 0.2760 2.9342 2.9342 3.8857 3.8857 4.3464 4.3464 5.2863 5.2863 5.3492 5.3492 7.5747 7.5747 9.1089 9.1089 9.2899 9.2899 9.6567 9.6567 10.3127 10.3127 10.3285 10.3285 10.7093 10.7093 11.5462 11.5462 13.4838 13.4838 13.5072 13.5072 14.1129 14.1129 14.8120 14.8120 14.9639 14.9639 k = 0.0000 0.1000-0.0000 ( 3253 PWs) bands (ev): -30.2742 -30.2742 -30.2477 -30.2477 -11.3874 -11.3874 -11.2577 -11.2577 -10.0831 -10.0831 -9.8860 -9.8860 -9.8507 -9.8507 -9.8120 -9.8120 -3.6279 -3.6279 -1.7510 -1.7510 0.2034 0.2034 0.2753 0.2753 2.9147 2.9147 3.8290 3.8290 4.3819 4.3819 5.3343 5.3343 5.4087 5.4087 7.5755 7.5755 9.0544 9.0544 9.3039 9.3039 9.6124 9.6124 10.2746 10.2746 10.2939 10.2939 10.7731 10.7731 11.5583 11.5583 13.4007 13.4007 13.5219 13.5219 14.1374 14.1374 14.9483 14.9483 14.9701 14.9701 k = 0.0000 0.1167-0.0000 ( 3257 PWs) bands (ev): -30.2739 -30.2739 -30.2480 -30.2480 -11.3863 -11.3863 -11.2589 -11.2589 -10.0810 -10.0810 -9.8859 -9.8859 -9.8513 -9.8513 -9.8149 -9.8149 -3.6121 -3.6121 -1.7674 -1.7674 0.2017 0.2017 0.2751 0.2751 2.8924 2.8924 3.7679 3.7679 4.4241 4.4241 5.3885 5.3885 5.4738 5.4738 7.5766 7.5766 8.9960 8.9960 9.3204 9.3204 9.5600 9.5600 10.2307 10.2307 10.2545 10.2545 10.8406 10.8406 11.5730 11.5730 13.3010 13.3010 13.5651 13.5651 14.1661 14.1661 14.9580 14.9580 15.1040 15.1040 k = 0.0000 0.1333-0.0000 ( 3249 PWs) bands (ev): -30.2736 -30.2736 -30.2483 -30.2483 -11.3850 -11.3850 -11.2604 -11.2604 -10.0787 -10.0787 -9.8858 -9.8858 -9.8520 -9.8520 -9.8183 -9.8183 -3.5939 -3.5939 -1.7865 -1.7865 0.1998 0.1998 0.2755 0.2755 2.8679 2.8679 3.7035 3.7035 4.4729 4.4729 5.4484 5.4484 5.5432 5.5432 7.5780 7.5780 8.9350 8.9350 9.3394 9.3394 9.4997 9.4997 10.1817 10.1817 10.2105 10.2105 10.9093 10.9093 11.5905 11.5905 13.2092 13.2092 13.6130 13.6130 14.1988 14.1988 14.9543 14.9543 15.1027 15.1027 k = 0.0000 0.1500-0.0000 ( 3249 PWs) bands (ev): -30.2733 -30.2733 -30.2486 -30.2486 -11.3835 -11.3835 -11.2620 -11.2620 -10.0760 -10.0760 -9.8856 -9.8856 -9.8528 -9.8528 -9.8221 -9.8221 -3.5735 -3.5735 -1.8082 -1.8082 0.1979 0.1979 0.2766 0.2766 2.8415 2.8415 3.6370 3.6370 4.5281 4.5281 5.5135 5.5135 5.6155 5.6155 7.5797 7.5797 8.8725 8.8725 9.3609 9.3609 9.4317 9.4317 10.1280 10.1280 10.1622 10.1622 10.9767 10.9767 11.6108 11.6108 13.1269 13.1269 13.6648 13.6648 14.2352 14.2352 14.9441 14.9441 15.0367 15.0367 k = 0.0000 0.1667-0.0000 ( 3251 PWs) bands (ev): -30.2730 -30.2730 -30.2489 -30.2489 -11.3819 -11.3819 -11.2638 -11.2638 -10.0730 -10.0730 -9.8854 -9.8854 -9.8537 -9.8537 -9.8263 -9.8263 -3.5507 -3.5507 -1.8326 -1.8326 0.1961 0.1961 0.2783 0.2783 2.8137 2.8137 3.5692 3.5692 4.5895 4.5895 5.5833 5.5833 5.6899 5.6899 7.5820 7.5820 8.8094 8.8094 9.3562 9.3562 9.3851 9.3851 10.0704 10.0704 10.1100 10.1100 11.0400 11.0400 11.6343 11.6343 13.0559 13.0559 13.7197 13.7197 14.2752 14.2752 14.9079 14.9079 14.9921 14.9921 k = 0.0000 0.1833-0.0000 ( 3249 PWs) bands (ev): -30.2726 -30.2726 -30.2493 -30.2493 -11.3802 -11.3802 -11.2657 -11.2657 -10.0698 -10.0698 -9.8852 -9.8852 -9.8547 -9.8547 -9.8308 -9.8308 -3.5258 -3.5258 -1.8596 -1.8596 0.1948 0.1948 0.2807 0.2807 2.7850 2.7850 3.5008 3.5008 4.6569 4.6569 5.6572 5.6572 5.7656 5.7656 7.5847 7.5847 8.7462 8.7462 9.2740 9.2740 9.4115 9.4115 10.0095 10.0095 10.0541 10.0541 11.0966 11.0966 11.6610 11.6610 12.9983 12.9983 13.7767 13.7767 14.3184 14.3184 14.8369 14.8369 14.9792 14.9792 k = 0.0000 0.2000-0.0000 ( 3245 PWs) bands (ev): -30.2722 -30.2722 -30.2497 -30.2497 -11.3783 -11.3783 -11.2678 -11.2678 -10.0662 -10.0662 -9.8850 -9.8850 -9.8558 -9.8558 -9.8357 -9.8357 -3.4986 -3.4986 -1.8893 -1.8893 0.1940 0.1940 0.2835 0.2835 2.7558 2.7558 3.4322 3.4322 4.7298 4.7298 5.7347 5.7347 5.8419 5.8419 7.5880 7.5880 8.6835 8.6835 9.1854 9.1854 9.4405 9.4405 9.9457 9.9457 9.9948 9.9948 11.1437 11.1437 11.6909 11.6909 12.9566 12.9566 13.8345 13.8345 14.3646 14.3646 14.7537 14.7537 14.9773 14.9773 k = 0.0000 0.2167-0.0000 ( 3241 PWs) bands (ev): -30.2717 -30.2717 -30.2501 -30.2501 -11.3762 -11.3762 -11.2701 -11.2701 -10.0623 -10.0623 -9.8848 -9.8848 -9.8570 -9.8570 -9.8407 -9.8407 -3.4694 -3.4694 -1.9215 -1.9215 0.1941 0.1941 0.2867 0.2867 2.7266 2.7266 3.3641 3.3641 4.8080 4.8080 5.8153 5.8153 5.9183 5.9183 7.5920 7.5920 8.6216 8.6216 9.0909 9.0909 9.4719 9.4719 9.8797 9.8797 9.9323 9.9323 11.1785 11.1785 11.7244 11.7244 12.9328 12.9328 13.8912 13.8912 14.4131 14.4131 14.6675 14.6675 14.9793 14.9793 k = 0.0000 0.2333-0.0000 ( 3233 PWs) bands (ev): -30.2712 -30.2712 -30.2506 -30.2506 -11.3740 -11.3740 -11.2725 -11.2725 -10.0582 -10.0582 -9.8845 -9.8845 -9.8585 -9.8585 -9.8459 -9.8459 -3.4381 -3.4381 -1.9561 -1.9561 0.1951 0.1951 0.2902 0.2902 2.6978 2.6978 3.2968 3.2968 4.8910 4.8910 5.8986 5.8986 5.9942 5.9942 7.5968 7.5968 8.5608 8.5608 8.9913 8.9913 9.5057 9.5057 9.8120 9.8120 9.8671 9.8671 11.1991 11.1991 11.7613 11.7613 12.9287 12.9287 13.9438 13.9438 14.4636 14.4636 14.5830 14.5830 14.9842 14.9842 k = 0.0000 0.2500-0.0000 ( 3237 PWs) bands (ev): -30.2707 -30.2707 -30.2511 -30.2511 -11.3716 -11.3716 -11.2750 -11.2750 -10.0538 -10.0538 -9.8842 -9.8842 -9.8604 -9.8604 -9.8510 -9.8510 -3.4048 -3.4048 -1.9932 -1.9932 0.1971 0.1971 0.2939 0.2939 2.6698 2.6698 3.2305 3.2305 4.9785 4.9785 5.9840 5.9840 6.0690 6.0690 7.6024 7.6024 8.5014 8.5014 8.8871 8.8871 9.5420 9.5420 9.7431 9.7431 9.7995 9.7995 11.2043 11.2043 11.8019 11.8019 12.9451 12.9451 13.9868 13.9868 14.5021 14.5021 14.5194 14.5194 14.9918 14.9918 k = 0.0000 0.2667-0.0000 ( 3213 PWs) bands (ev): -30.2702 -30.2702 -30.2516 -30.2516 -11.3691 -11.3691 -11.2777 -11.2777 -10.0491 -10.0491 -9.8838 -9.8838 -9.8634 -9.8634 -9.8552 -9.8552 -3.3696 -3.3696 -2.0324 -2.0324 0.2002 0.2002 0.2977 0.2977 2.6430 2.6430 3.1658 3.1658 5.0700 5.0700 6.0712 6.0712 6.1423 6.1423 7.6089 7.6089 8.4436 8.4436 8.7790 8.7790 9.5806 9.5806 9.6736 9.6736 9.7299 9.7299 11.1942 11.1942 11.8460 11.8460 12.9816 12.9816 14.0106 14.0106 14.4454 14.4454 14.5690 14.5690 15.0024 15.0024 k = 0.0000 0.2833-0.0000 ( 3215 PWs) bands (ev): -30.2696 -30.2696 -30.2521 -30.2521 -11.3665 -11.3665 -11.2805 -11.2805 -10.0442 -10.0442 -9.8835 -9.8835 -9.8681 -9.8681 -9.8581 -9.8581 -3.3325 -3.3325 -2.0739 -2.0739 0.2044 0.2044 0.3013 0.3013 2.6176 2.6176 3.1028 3.1028 5.1651 5.1651 6.1596 6.1596 6.2136 6.2136 7.6165 7.6165 8.3876 8.3876 8.6676 8.6676 9.6035 9.6035 9.6218 9.6218 9.6590 9.6590 11.1700 11.1700 11.8937 11.8937 13.0367 13.0367 14.0022 14.0022 14.4158 14.4158 14.6212 14.6212 15.0165 15.0165 k = 0.0000 0.3000-0.0000 ( 3215 PWs) bands (ev): -30.2690 -30.2690 -30.2527 -30.2527 -11.3638 -11.3638 -11.2834 -11.2834 -10.0390 -10.0390 -9.8831 -9.8831 -9.8739 -9.8739 -9.8600 -9.8600 -3.2937 -3.2937 -2.1172 -2.1172 0.2096 0.2096 0.3048 0.3048 2.5941 2.5941 3.0418 3.0418 5.2635 5.2635 6.2483 6.2483 6.2826 6.2826 7.6251 7.6251 8.3333 8.3333 8.5538 8.5538 9.5344 9.5344 9.5869 9.5869 9.6651 9.6651 11.1335 11.1335 11.9451 11.9451 13.1083 13.1083 13.9568 13.9568 14.4205 14.4205 14.6720 14.6720 15.0345 15.0345 k = 0.0000 0.3167-0.0000 ( 3211 PWs) bands (ev): -30.2684 -30.2684 -30.2533 -30.2533 -11.3610 -11.3610 -11.2865 -11.2865 -10.0335 -10.0335 -9.8828 -9.8828 -9.8801 -9.8801 -9.8616 -9.8616 -3.2532 -3.2532 -2.1624 -2.1624 0.2157 0.2157 0.3081 0.3081 2.5728 2.5728 2.9831 2.9831 5.3646 5.3646 6.3331 6.3331 6.3523 6.3523 7.6349 7.6349 8.2810 8.2810 8.4381 8.4381 9.4660 9.4660 9.5149 9.5149 9.7106 9.7106 11.0871 11.0871 12.0000 12.0000 13.1938 13.1938 13.8845 13.8845 14.4492 14.4492 14.7199 14.7199 15.0561 15.0561 k = 0.0000 0.3333-0.0000 ( 3209 PWs) bands (ev): -30.2678 -30.2678 -30.2539 -30.2539 -11.3580 -11.3580 -11.2896 -11.2896 -10.0279 -10.0279 -9.8873 -9.8873 -9.8819 -9.8819 -9.8630 -9.8630 -3.2111 -3.2111 -2.2092 -2.2092 0.2227 0.2227 0.3110 0.3110 2.5538 2.5538 2.9269 2.9269 5.4681 5.4681 6.4004 6.4004 6.4349 6.4349 7.6459 7.6459 8.2307 8.2307 8.3213 8.3213 9.3992 9.3992 9.4434 9.4434 9.7585 9.7585 11.0328 11.0328 12.0584 12.0584 13.2908 13.2908 13.7971 13.7971 14.4892 14.4892 14.7632 14.7632 15.0713 15.0713 k = 0.0000 0.3500-0.0000 ( 3213 PWs) bands (ev): -30.2672 -30.2672 -30.2546 -30.2546 -11.3550 -11.3550 -11.2928 -11.2928 -10.0220 -10.0220 -9.8943 -9.8943 -9.8814 -9.8814 -9.8643 -9.8643 -3.1675 -3.1675 -2.2573 -2.2573 0.2303 0.2303 0.3134 0.3134 2.5376 2.5376 2.8735 2.8735 5.5732 5.5732 6.4557 6.4557 6.5236 6.5236 7.6583 7.6583 8.1824 8.1824 8.2042 8.2042 9.3346 9.3346 9.3735 9.3735 9.8087 9.8087 10.9726 10.9726 12.1204 12.1204 13.3969 13.3969 13.7021 13.7021 14.5328 14.5328 14.7995 14.7995 15.0528 15.0528 k = 0.0000 0.3667-0.0000 ( 3209 PWs) bands (ev): -30.2665 -30.2665 -30.2552 -30.2552 -11.3518 -11.3518 -11.2962 -11.2962 -10.0158 -10.0158 -9.9014 -9.9014 -9.8809 -9.8809 -9.8656 -9.8656 -3.1225 -3.1225 -2.3068 -2.3068 0.2385 0.2385 0.3152 0.3152 2.5243 2.5243 2.8230 2.8230 5.6796 5.6796 6.5031 6.5031 6.6125 6.6125 7.6721 7.6721 8.0876 8.0876 8.1362 8.1362 9.2729 9.2729 9.3060 9.3060 9.8610 9.8610 10.9081 10.9081 12.1858 12.1858 13.5101 13.5101 13.6034 13.6034 14.5757 14.5757 14.8265 14.8265 15.0255 15.0255 k = 0.0000 0.3833-0.0000 ( 3223 PWs) bands (ev): -30.2658 -30.2658 -30.2559 -30.2559 -11.3486 -11.3486 -11.2995 -11.2995 -10.0095 -10.0095 -9.9087 -9.9087 -9.8802 -9.8802 -9.8668 -9.8668 -3.0762 -3.0762 -2.3572 -2.3572 0.2469 0.2469 0.3163 0.3163 2.5142 2.5142 2.7757 2.7757 5.7863 5.7863 6.5419 6.5419 6.7006 6.7006 7.6874 7.6874 7.9724 7.9724 8.0921 8.0921 9.2150 9.2150 9.2420 9.2420 9.9154 9.9154 10.8406 10.8406 12.2545 12.2545 13.5030 13.5030 13.6286 13.6286 14.6160 14.6160 14.8411 14.8411 14.9978 14.9978 k = 0.0000 0.4000-0.0000 ( 3219 PWs) bands (ev): -30.2652 -30.2652 -30.2566 -30.2566 -11.3453 -11.3453 -11.3030 -11.3030 -10.0030 -10.0030 -9.9161 -9.9161 -9.8796 -9.8796 -9.8680 -9.8680 -3.0286 -3.0286 -2.4085 -2.4085 0.2555 0.2555 0.3167 0.3167 2.5075 2.5075 2.7318 2.7318 5.8928 5.8928 6.5705 6.5705 6.7872 6.7872 7.7042 7.7042 7.8597 7.8597 8.0501 8.0501 9.1617 9.1617 9.1829 9.1829 9.9720 9.9720 10.7713 10.7713 12.3265 12.3265 13.4023 13.4023 13.7508 13.7508 14.6527 14.6527 14.8407 14.8407 14.9706 14.9706 k = 0.0000 0.4167-0.0000 ( 3215 PWs) bands (ev): -30.2644 -30.2644 -30.2573 -30.2573 -11.3419 -11.3419 -11.3065 -11.3065 -9.9963 -9.9963 -9.9235 -9.9235 -9.8788 -9.8788 -9.8692 -9.8692 -2.9800 -2.9800 -2.4605 -2.4605 0.2641 0.2641 0.3163 0.3163 2.5044 2.5044 2.6914 2.6914 5.9978 5.9978 6.5873 6.5873 6.8722 6.8722 7.7220 7.7220 7.7510 7.7510 8.0102 8.0102 9.1140 9.1140 9.1299 9.1299 10.0305 10.0305 10.7008 10.7008 12.4018 12.4018 13.3019 13.3019 13.8751 13.8751 14.6861 14.6861 14.8230 14.8230 14.9442 14.9442 k = 0.0000 0.4333-0.0000 ( 3215 PWs) bands (ev): -30.2637 -30.2637 -30.2580 -30.2580 -11.3385 -11.3385 -11.3100 -11.3100 -9.9895 -9.9895 -9.9310 -9.9310 -9.8781 -9.8781 -9.8703 -9.8703 -2.9303 -2.9303 -2.5130 -2.5130 0.2724 0.2724 0.3150 0.3150 2.5051 2.5051 2.6547 2.6547 6.1002 6.1002 6.5905 6.5905 6.9552 6.9552 7.6451 7.6451 7.7432 7.7432 7.9724 7.9724 9.0730 9.0730 9.0841 9.0841 10.0910 10.0910 10.6298 10.6298 12.4801 12.4801 13.2026 13.2026 14.0001 14.0001 14.7163 14.7163 14.7866 14.7866 14.9184 14.9184 k = 0.0000 0.4500-0.0000 ( 3209 PWs) bands (ev): -30.2630 -30.2630 -30.2587 -30.2587 -11.3350 -11.3350 -11.3136 -11.3136 -9.9825 -9.9825 -9.9385 -9.9385 -9.8772 -9.8772 -9.8714 -9.8714 -2.8798 -2.8798 -2.5657 -2.5657 0.2803 0.2803 0.3127 0.3127 2.5096 2.5096 2.6219 2.6219 6.1984 6.1984 6.5785 6.5785 7.0366 7.0366 7.5455 7.5455 7.7651 7.7651 7.9367 7.9367 9.0397 9.0397 9.0470 9.0470 10.1534 10.1534 10.5589 10.5589 12.5614 12.5614 13.1046 13.1046 14.1240 14.1240 14.7305 14.7305 14.7452 14.7452 14.8932 14.8932 k = 0.0000 0.4667-0.0000 ( 3213 PWs) bands (ev): -30.2623 -30.2623 -30.2594 -30.2594 -11.3315 -11.3315 -11.3171 -11.3171 -9.9754 -9.9754 -9.9460 -9.9460 -9.8764 -9.8764 -9.8725 -9.8725 -2.8285 -2.8285 -2.6186 -2.6186 0.2877 0.2877 0.3095 0.3095 2.5181 2.5181 2.5930 2.5930 6.2905 6.2905 6.5505 6.5505 7.1169 7.1169 7.4515 7.4515 7.7888 7.7888 7.9031 7.9031 9.0152 9.0152 9.0194 9.0194 10.2175 10.2175 10.4885 10.4885 12.6457 12.6457 13.0084 13.0084 14.2452 14.2452 14.6587 14.6587 14.7707 14.7707 14.8686 14.8686 k = 0.0000 0.4833-0.0000 ( 3212 PWs) bands (ev): -30.2616 -30.2616 -30.2601 -30.2601 -11.3279 -11.3279 -11.3207 -11.3207 -9.9682 -9.9682 -9.9534 -9.9534 -9.8755 -9.8755 -9.8735 -9.8735 -2.7766 -2.7766 -2.6715 -2.6715 0.2944 0.2944 0.3054 0.3054 2.5307 2.5307 2.5681 2.5681 6.3741 6.3741 6.5062 6.5062 7.1970 7.1970 7.3628 7.3628 7.8144 7.8144 7.8716 7.8716 9.0004 9.0004 9.0023 9.0023 10.2833 10.2833 10.4190 10.4190 12.7326 12.7326 12.9142 12.9142 14.3617 14.3617 14.5711 14.5711 14.7957 14.7957 14.8443 14.8443 k = 0.0000 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2609 -30.2609 -30.2609 -30.2609 -11.3243 -11.3243 -11.3243 -11.3243 -9.9608 -9.9608 -9.9608 -9.9608 -9.8745 -9.8745 -9.8745 -9.8745 -2.7242 -2.7242 -2.7242 -2.7242 0.3003 0.3003 0.3003 0.3003 2.5473 2.5473 2.5473 2.5473 6.4468 6.4468 6.4468 6.4468 7.2784 7.2784 7.2784 7.2784 7.8420 7.8420 7.8420 7.8420 8.9959 8.9959 8.9959 8.9959 10.3505 10.3505 10.3505 10.3505 12.8222 12.8222 12.8222 12.8222 14.4712 14.4712 14.4712 14.4712 14.8202 14.8202 14.8202 14.8202 k = 0.0000 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2609 -30.2609 -30.2609 -30.2609 -11.3243 -11.3243 -11.3243 -11.3243 -9.9608 -9.9608 -9.9608 -9.9608 -9.8745 -9.8745 -9.8745 -9.8745 -2.7242 -2.7242 -2.7242 -2.7242 0.3003 0.3003 0.3003 0.3003 2.5473 2.5473 2.5473 2.5473 6.4468 6.4468 6.4468 6.4468 7.2784 7.2784 7.2784 7.2784 7.8420 7.8420 7.8420 7.8420 8.9959 8.9959 8.9959 8.9959 10.3505 10.3505 10.3505 10.3505 12.8222 12.8222 12.8222 12.8222 14.4712 14.4712 14.4712 14.4712 14.8202 14.8202 14.8202 14.8202 k = 0.0167 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2609 -30.2609 -30.2609 -30.2609 -11.3244 -11.3244 -11.3244 -11.3244 -9.9612 -9.9612 -9.9612 -9.9612 -9.8742 -9.8742 -9.8742 -9.8742 -2.7233 -2.7233 -2.7233 -2.7233 0.2965 0.2965 0.2965 0.2965 2.5518 2.5518 2.5518 2.5518 6.4475 6.4475 6.4475 6.4475 7.2756 7.2756 7.2756 7.2756 7.8411 7.8411 7.8411 7.8411 8.9965 8.9965 8.9965 8.9965 10.3517 10.3517 10.3517 10.3517 12.8193 12.8193 12.8193 12.8193 14.4738 14.4738 14.4738 14.4738 14.8225 14.8225 14.8225 14.8225 k = 0.0333 0.5000-0.0000 ( 3210 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3245 -11.3245 -11.3245 -11.3245 -9.9621 -9.9621 -9.9621 -9.9621 -9.8731 -9.8731 -9.8731 -9.8731 -2.7206 -2.7206 -2.7206 -2.7206 0.2852 0.2852 0.2852 0.2852 2.5650 2.5650 2.5650 2.5650 6.4497 6.4497 6.4497 6.4497 7.2672 7.2672 7.2672 7.2672 7.8383 7.8383 7.8383 7.8383 8.9980 8.9980 8.9980 8.9980 10.3553 10.3553 10.3553 10.3553 12.8107 12.8107 12.8107 12.8107 14.4815 14.4815 14.4815 14.4815 14.8296 14.8296 14.8296 14.8296 k = 0.0500 0.5000-0.0000 ( 3216 PWs) bands (ev): -30.2609 -30.2609 -30.2609 -30.2609 -11.3247 -11.3247 -11.3247 -11.3247 -9.9637 -9.9637 -9.9637 -9.9637 -9.8715 -9.8715 -9.8715 -9.8715 -2.7161 -2.7161 -2.7161 -2.7161 0.2666 0.2666 0.2666 0.2666 2.5868 2.5868 2.5868 2.5868 6.4530 6.4530 6.4530 6.4530 7.2535 7.2535 7.2535 7.2535 7.8337 7.8337 7.8337 7.8337 9.0003 9.0003 9.0003 9.0003 10.3612 10.3612 10.3612 10.3612 12.7969 12.7969 12.7969 12.7969 14.4943 14.4943 14.4943 14.4943 14.8413 14.8413 14.8413 14.8413 k = 0.0667 0.5000-0.0000 ( 3212 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3250 -11.3250 -11.3250 -11.3250 -9.9657 -9.9657 -9.9657 -9.9657 -9.8693 -9.8693 -9.8693 -9.8693 -2.7098 -2.7098 -2.7098 -2.7098 0.2413 0.2413 0.2413 0.2413 2.6165 2.6165 2.6165 2.6165 6.4574 6.4574 6.4574 6.4574 7.2352 7.2352 7.2352 7.2352 7.8274 7.8274 7.8274 7.8274 9.0029 9.0029 9.0029 9.0029 10.3694 10.3694 10.3694 10.3694 12.7782 12.7782 12.7782 12.7782 14.5123 14.5123 14.5123 14.5123 14.8576 14.8576 14.8576 14.8576 k = 0.0833 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3254 -11.3254 -11.3254 -11.3254 -9.9682 -9.9682 -9.9682 -9.9682 -9.8666 -9.8666 -9.8666 -9.8666 -2.7017 -2.7017 -2.7017 -2.7017 0.2099 0.2099 0.2099 0.2099 2.6537 2.6537 2.6537 2.6537 6.4625 6.4625 6.4625 6.4625 7.2128 7.2128 7.2128 7.2128 7.8195 7.8195 7.8195 7.8195 9.0055 9.0055 9.0055 9.0055 10.3797 10.3797 10.3797 10.3797 12.7553 12.7553 12.7553 12.7553 14.5353 14.5353 14.5353 14.5353 14.8782 14.8782 14.8782 14.8782 k = 0.1000 0.5000-0.0000 ( 3218 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3258 -11.3258 -11.3258 -11.3258 -9.9710 -9.9710 -9.9710 -9.9710 -9.8636 -9.8636 -9.8636 -9.8636 -2.6919 -2.6919 -2.6919 -2.6919 0.1730 0.1730 0.1730 0.1730 2.6975 2.6975 2.6975 2.6975 6.4678 6.4678 6.4678 6.4678 7.1875 7.1875 7.1875 7.1875 7.8101 7.8101 7.8101 7.8101 9.0073 9.0073 9.0073 9.0073 10.3920 10.3920 10.3920 10.3920 12.7291 12.7291 12.7291 12.7291 14.5633 14.5633 14.5633 14.5633 14.9031 14.9031 14.9031 14.9031 k = 0.1167 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3263 -11.3263 -11.3263 -11.3263 -9.9740 -9.9740 -9.9740 -9.9740 -9.8602 -9.8602 -9.8602 -9.8602 -2.6804 -2.6804 -2.6804 -2.6804 0.1314 0.1314 0.1314 0.1314 2.7473 2.7473 2.7473 2.7473 6.4725 6.4725 6.4725 6.4725 7.1604 7.1604 7.1604 7.1604 7.7994 7.7994 7.7994 7.7994 9.0078 9.0078 9.0078 9.0078 10.4060 10.4060 10.4060 10.4060 12.7004 12.7004 12.7004 12.7004 14.5962 14.5962 14.5962 14.5962 14.9320 14.9320 14.9320 14.9320 k = 0.1333 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3269 -11.3269 -11.3269 -11.3269 -9.9773 -9.9773 -9.9773 -9.9773 -9.8567 -9.8567 -9.8567 -9.8567 -2.6673 -2.6673 -2.6673 -2.6673 0.0857 0.0857 0.0857 0.0857 2.8024 2.8024 2.8024 2.8024 6.4758 6.4758 6.4758 6.4758 7.1330 7.1330 7.1330 7.1330 7.7874 7.7874 7.7874 7.7874 9.0063 9.0063 9.0063 9.0063 10.4217 10.4217 10.4217 10.4217 12.6700 12.6700 12.6700 12.6700 14.6340 14.6340 14.6340 14.6340 14.9648 14.9648 14.9648 14.9648 k = 0.1500 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3275 -11.3275 -11.3275 -11.3275 -9.9806 -9.9806 -9.9806 -9.9806 -9.8530 -9.8530 -9.8530 -9.8530 -2.6526 -2.6526 -2.6526 -2.6526 0.0367 0.0367 0.0367 0.0367 2.8619 2.8619 2.8619 2.8619 6.4766 6.4766 6.4766 6.4766 7.1068 7.1068 7.1068 7.1068 7.7745 7.7745 7.7745 7.7745 9.0022 9.0022 9.0022 9.0022 10.4387 10.4387 10.4387 10.4387 12.6388 12.6388 12.6388 12.6388 14.6764 14.6764 14.6764 14.6764 15.0013 15.0013 15.0013 15.0013 k = 0.1667 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3282 -11.3282 -11.3282 -11.3282 -9.9840 -9.9840 -9.9840 -9.9840 -9.8493 -9.8493 -9.8493 -9.8493 -2.6364 -2.6364 -2.6364 -2.6364 -0.0149 -0.0149 -0.0149 -0.0149 2.9252 2.9252 2.9252 2.9252 6.4733 6.4733 6.4733 6.4733 7.0839 7.0839 7.0839 7.0839 7.7607 7.7607 7.7607 7.7607 8.9951 8.9951 8.9951 8.9951 10.4569 10.4569 10.4569 10.4569 12.6076 12.6076 12.6076 12.6076 14.7235 14.7235 14.7235 14.7235 15.0415 15.0415 15.0415 15.0415 k = 0.1833 0.5000-0.0000 ( 3222 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3289 -11.3289 -11.3289 -11.3289 -9.9874 -9.9874 -9.9874 -9.9874 -9.8455 -9.8455 -9.8455 -9.8455 -2.6188 -2.6188 -2.6188 -2.6188 -0.0686 -0.0686 -0.0686 -0.0686 2.9917 2.9917 2.9917 2.9917 6.4646 6.4646 6.4646 6.4646 7.0661 7.0661 7.0661 7.0661 7.7463 7.7463 7.7463 7.7463 8.9842 8.9842 8.9842 8.9842 10.4760 10.4760 10.4760 10.4760 12.5771 12.5771 12.5771 12.5771 14.7749 14.7749 14.7749 14.7749 15.0852 15.0852 15.0852 15.0852 k = 0.2000 0.5000-0.0000 ( 3220 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3296 -11.3296 -11.3296 -11.3296 -9.9907 -9.9907 -9.9907 -9.9907 -9.8417 -9.8417 -9.8417 -9.8417 -2.5999 -2.5999 -2.5999 -2.5999 -0.1237 -0.1237 -0.1237 -0.1237 3.0608 3.0608 3.0608 3.0608 6.4492 6.4492 6.4492 6.4492 7.0552 7.0552 7.0552 7.0552 7.7314 7.7314 7.7314 7.7314 8.9694 8.9694 8.9694 8.9694 10.4957 10.4957 10.4957 10.4957 12.5479 12.5479 12.5479 12.5479 14.8304 14.8304 14.8304 14.8304 15.1323 15.1323 15.1323 15.1323 k = 0.2167 0.5000-0.0000 ( 3222 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3304 -11.3304 -11.3304 -11.3304 -9.9940 -9.9940 -9.9940 -9.9940 -9.8380 -9.8380 -9.8380 -9.8380 -2.5798 -2.5798 -2.5798 -2.5798 -0.1798 -0.1798 -0.1798 -0.1798 3.1318 3.1318 3.1318 3.1318 6.4263 6.4263 6.4263 6.4263 7.0522 7.0522 7.0522 7.0522 7.7162 7.7162 7.7162 7.7162 8.9502 8.9502 8.9502 8.9502 10.5160 10.5160 10.5160 10.5160 12.5206 12.5206 12.5206 12.5206 14.8897 14.8897 14.8897 14.8897 15.1827 15.1827 15.1827 15.1827 k = 0.2333 0.5000-0.0000 ( 3218 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3312 -11.3312 -11.3312 -11.3312 -9.9973 -9.9973 -9.9973 -9.9973 -9.8344 -9.8344 -9.8344 -9.8344 -2.5585 -2.5585 -2.5585 -2.5585 -0.2363 -0.2363 -0.2363 -0.2363 3.2042 3.2042 3.2042 3.2042 6.3958 6.3958 6.3958 6.3958 7.0578 7.0578 7.0578 7.0578 7.7009 7.7009 7.7009 7.7009 8.9265 8.9265 8.9265 8.9265 10.5364 10.5364 10.5364 10.5364 12.4955 12.4955 12.4955 12.4955 14.9524 14.9524 14.9524 14.9524 15.2363 15.2363 15.2363 15.2363 k = 0.2500 0.5000-0.0000 ( 3218 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3320 -11.3320 -11.3320 -11.3320 -10.0004 -10.0004 -10.0004 -10.0004 -9.8308 -9.8308 -9.8308 -9.8308 -2.5364 -2.5364 -2.5364 -2.5364 -0.2928 -0.2928 -0.2928 -0.2928 3.2776 3.2776 3.2776 3.2776 6.3585 6.3585 6.3585 6.3585 7.0716 7.0716 7.0716 7.0716 7.6856 7.6856 7.6856 7.6856 8.8982 8.8982 8.8982 8.8982 10.5568 10.5568 10.5568 10.5568 12.4729 12.4729 12.4729 12.4729 15.0180 15.0180 15.0180 15.0180 15.2929 15.2929 15.2929 15.2929 k = 0.2667 0.5000-0.0000 ( 3210 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3328 -11.3328 -11.3328 -11.3328 -10.0033 -10.0033 -10.0033 -10.0033 -9.8274 -9.8274 -9.8274 -9.8274 -2.5135 -2.5135 -2.5135 -2.5135 -0.3487 -0.3487 -0.3487 -0.3487 3.3513 3.3513 3.3513 3.3513 6.3154 6.3154 6.3154 6.3154 7.0928 7.0928 7.0928 7.0928 7.6706 7.6706 7.6706 7.6706 8.8654 8.8654 8.8654 8.8654 10.5771 10.5771 10.5771 10.5771 12.4530 12.4530 12.4530 12.4530 15.0858 15.0858 15.0858 15.0858 15.3524 15.3524 15.3524 15.3524 k = 0.2833 0.5000-0.0000 ( 3212 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3336 -11.3336 -11.3336 -11.3336 -10.0062 -10.0062 -10.0062 -10.0062 -9.8241 -9.8241 -9.8241 -9.8241 -2.4900 -2.4900 -2.4900 -2.4900 -0.4038 -0.4038 -0.4038 -0.4038 3.4249 3.4249 3.4249 3.4249 6.2677 6.2677 6.2677 6.2677 7.1205 7.1205 7.1205 7.1205 7.6560 7.6560 7.6560 7.6560 8.8282 8.8282 8.8282 8.8282 10.5968 10.5968 10.5968 10.5968 12.4359 12.4359 12.4359 12.4359 15.1547 15.1547 15.1547 15.1547 15.4146 15.4146 15.4146 15.4146 k = 0.3000 0.5000-0.0000 ( 3216 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3344 -11.3344 -11.3344 -11.3344 -10.0088 -10.0088 -10.0088 -10.0088 -9.8210 -9.8210 -9.8210 -9.8210 -2.4661 -2.4661 -2.4661 -2.4661 -0.4576 -0.4576 -0.4576 -0.4576 3.4978 3.4978 3.4978 3.4978 6.2168 6.2168 6.2168 6.2168 7.1536 7.1536 7.1536 7.1536 7.6419 7.6419 7.6419 7.6419 8.7870 8.7870 8.7870 8.7870 10.6160 10.6160 10.6160 10.6160 12.4213 12.4213 12.4213 12.4213 15.2235 15.2235 15.2235 15.2235 15.4794 15.4794 15.4794 15.4794 k = 0.3167 0.5000-0.0000 ( 3212 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3351 -11.3351 -11.3351 -11.3351 -10.0113 -10.0113 -10.0113 -10.0113 -9.8181 -9.8181 -9.8181 -9.8181 -2.4421 -2.4421 -2.4421 -2.4421 -0.5096 -0.5096 -0.5096 -0.5096 3.5695 3.5695 3.5695 3.5695 6.1639 6.1639 6.1639 6.1639 7.1913 7.1913 7.1913 7.1913 7.6284 7.6284 7.6284 7.6284 8.7420 8.7420 8.7420 8.7420 10.6343 10.6343 10.6343 10.6343 12.4094 12.4094 12.4094 12.4094 15.2906 15.2906 15.2906 15.2906 15.5464 15.5464 15.5464 15.5464 k = 0.3333 0.5000-0.0000 ( 3216 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3359 -11.3359 -11.3359 -11.3359 -10.0136 -10.0136 -10.0136 -10.0136 -9.8155 -9.8155 -9.8155 -9.8155 -2.4183 -2.4183 -2.4183 -2.4183 -0.5594 -0.5594 -0.5594 -0.5594 3.6394 3.6394 3.6394 3.6394 6.1102 6.1102 6.1102 6.1102 7.2327 7.2327 7.2327 7.2327 7.6157 7.6157 7.6157 7.6157 8.6940 8.6940 8.6940 8.6940 10.6516 10.6516 10.6516 10.6516 12.3997 12.3997 12.3997 12.3997 15.3538 15.3538 15.3538 15.3538 15.6153 15.6153 15.6153 15.6153 k = 0.3500 0.5000-0.0000 ( 3212 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3365 -11.3365 -11.3365 -11.3365 -10.0158 -10.0158 -10.0158 -10.0158 -9.8130 -9.8130 -9.8130 -9.8130 -2.3950 -2.3950 -2.3950 -2.3950 -0.6066 -0.6066 -0.6066 -0.6066 3.7068 3.7068 3.7068 3.7068 6.0566 6.0566 6.0566 6.0566 7.2769 7.2769 7.2769 7.2769 7.6039 7.6039 7.6039 7.6039 8.6434 8.6434 8.6434 8.6434 10.6678 10.6678 10.6678 10.6678 12.3922 12.3922 12.3922 12.3922 15.4108 15.4108 15.4108 15.4108 15.6858 15.6858 15.6858 15.6858 k = 0.3667 0.5000-0.0000 ( 3208 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3372 -11.3372 -11.3372 -11.3372 -10.0177 -10.0177 -10.0177 -10.0177 -9.8107 -9.8107 -9.8107 -9.8107 -2.3725 -2.3725 -2.3725 -2.3725 -0.6507 -0.6507 -0.6507 -0.6507 3.7710 3.7710 3.7710 3.7710 6.0043 6.0043 6.0043 6.0043 7.3232 7.3232 7.3232 7.3232 7.5930 7.5930 7.5930 7.5930 8.5910 8.5910 8.5910 8.5910 10.6827 10.6827 10.6827 10.6827 12.3864 12.3864 12.3864 12.3864 15.4592 15.4592 15.4592 15.4592 15.7572 15.7572 15.7572 15.7572 k = 0.3833 0.5000-0.0000 ( 3194 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3377 -11.3377 -11.3377 -11.3377 -10.0194 -10.0194 -10.0194 -10.0194 -9.8087 -9.8087 -9.8087 -9.8087 -2.3512 -2.3512 -2.3512 -2.3512 -0.6913 -0.6913 -0.6913 -0.6913 3.8311 3.8311 3.8311 3.8311 5.9542 5.9542 5.9542 5.9542 7.3707 7.3707 7.3707 7.3707 7.5833 7.5833 7.5833 7.5833 8.5378 8.5378 8.5378 8.5378 10.6962 10.6962 10.6962 10.6962 12.3822 12.3822 12.3822 12.3822 15.4975 15.4975 15.4975 15.4975 15.8287 15.8287 15.8287 15.8287 k = 0.4000 0.5000-0.0000 ( 3192 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3382 -11.3382 -11.3382 -11.3382 -10.0208 -10.0208 -10.0208 -10.0208 -9.8070 -9.8070 -9.8070 -9.8070 -2.3315 -2.3315 -2.3315 -2.3315 -0.7278 -0.7278 -0.7278 -0.7278 3.8863 3.8863 3.8863 3.8863 5.9074 5.9074 5.9074 5.9074 7.4183 7.4183 7.4183 7.4183 7.5747 7.5747 7.5747 7.5747 8.4849 8.4849 8.4849 8.4849 10.7081 10.7081 10.7081 10.7081 12.3792 12.3792 12.3792 12.3792 15.5257 15.5257 15.5257 15.5257 15.8988 15.8988 15.8988 15.8988 k = 0.4167 0.5000-0.0000 ( 3186 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3387 -11.3387 -11.3387 -11.3387 -10.0221 -10.0221 -10.0221 -10.0221 -9.8055 -9.8055 -9.8055 -9.8055 -2.3138 -2.3138 -2.3138 -2.3138 -0.7598 -0.7598 -0.7598 -0.7598 3.9357 3.9357 3.9357 3.9357 5.8651 5.8651 5.8651 5.8651 7.4647 7.4647 7.4647 7.4647 7.5673 7.5673 7.5673 7.5673 8.4336 8.4336 8.4336 8.4336 10.7183 10.7183 10.7183 10.7183 12.3773 12.3773 12.3773 12.3773 15.5449 15.5449 15.5449 15.5449 15.9654 15.9654 15.9654 15.9654 k = 0.4333 0.5000-0.0000 ( 3186 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3390 -11.3390 -11.3390 -11.3390 -10.0231 -10.0231 -10.0231 -10.0231 -9.8042 -9.8042 -9.8042 -9.8042 -2.2987 -2.2987 -2.2987 -2.2987 -0.7867 -0.7867 -0.7867 -0.7867 3.9781 3.9781 3.9781 3.9781 5.8284 5.8284 5.8284 5.8284 7.5083 7.5083 7.5083 7.5083 7.5612 7.5612 7.5612 7.5612 8.3858 8.3858 8.3858 8.3858 10.7268 10.7268 10.7268 10.7268 12.3760 12.3760 12.3760 12.3760 15.5571 15.5571 15.5571 15.5571 16.0250 16.0250 16.0250 16.0250 k = 0.4500 0.5000-0.0000 ( 3178 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3393 -11.3393 -11.3393 -11.3393 -10.0240 -10.0240 -10.0240 -10.0240 -9.8032 -9.8032 -9.8032 -9.8032 -2.2864 -2.2864 -2.2864 -2.2864 -0.8083 -0.8083 -0.8083 -0.8083 4.0124 4.0124 4.0124 4.0124 5.7983 5.7983 5.7983 5.7983 7.5467 7.5467 7.5467 7.5467 7.5566 7.5566 7.5566 7.5566 8.3438 8.3438 8.3438 8.3438 10.7335 10.7335 10.7335 10.7335 12.3752 12.3752 12.3752 12.3752 15.5643 15.5643 15.5643 15.5643 16.0732 16.0732 16.0732 16.0732 k = 0.4667 0.5000-0.0000 ( 3170 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3395 -11.3395 -11.3395 -11.3395 -10.0245 -10.0245 -10.0245 -10.0245 -9.8026 -9.8026 -9.8026 -9.8026 -2.2773 -2.2773 -2.2773 -2.2773 -0.8239 -0.8239 -0.8239 -0.8239 4.0379 4.0379 4.0379 4.0379 5.7760 5.7760 5.7760 5.7760 7.5527 7.5527 7.5527 7.5527 7.5782 7.5782 7.5782 7.5782 8.3103 8.3103 8.3103 8.3103 10.7383 10.7383 10.7383 10.7383 12.3748 12.3748 12.3748 12.3748 15.5683 15.5683 15.5683 15.5683 16.1066 16.1066 16.1066 16.1066 k = 0.4833 0.5000-0.0000 ( 3166 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3396 -11.3396 -11.3396 -11.3396 -10.0249 -10.0249 -10.0249 -10.0249 -9.8021 -9.8021 -9.8021 -9.8021 -2.2717 -2.2717 -2.2717 -2.2717 -0.8335 -0.8335 -0.8335 -0.8335 4.0535 4.0535 4.0535 4.0535 5.7622 5.7622 5.7622 5.7622 7.5507 7.5507 7.5507 7.5507 7.5984 7.5984 7.5984 7.5984 8.2884 8.2884 8.2884 8.2884 10.7412 10.7412 10.7412 10.7412 12.3746 12.3746 12.3746 12.3746 15.5702 15.5702 15.5702 15.5702 16.1252 16.1252 16.1252 16.1252 k = 0.5000 0.5000-0.0000 ( 3164 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3397 -11.3397 -11.3397 -11.3397 -10.0250 -10.0250 -10.0250 -10.0250 -9.8020 -9.8020 -9.8020 -9.8020 -2.2698 -2.2698 -2.2698 -2.2698 -0.8367 -0.8367 -0.8367 -0.8367 4.0587 4.0587 4.0587 4.0587 5.7575 5.7575 5.7575 5.7575 7.5500 7.5500 7.5500 7.5500 7.6055 7.6055 7.6055 7.6055 8.2808 8.2808 8.2808 8.2808 10.7422 10.7422 10.7422 10.7422 12.3746 12.3746 12.3746 12.3746 15.5707 15.5707 15.5707 15.5707 16.1311 16.1311 16.1311 16.1311 k = 0.5000 0.5000-0.0000 ( 3164 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3397 -11.3397 -11.3397 -11.3397 -10.0250 -10.0250 -10.0250 -10.0250 -9.8020 -9.8020 -9.8020 -9.8020 -2.2698 -2.2698 -2.2698 -2.2698 -0.8367 -0.8367 -0.8367 -0.8367 4.0587 4.0587 4.0587 4.0587 5.7575 5.7575 5.7575 5.7575 7.5500 7.5500 7.5500 7.5500 7.6055 7.6055 7.6055 7.6055 8.2808 8.2808 8.2808 8.2808 10.7422 10.7422 10.7422 10.7422 12.3746 12.3746 12.3746 12.3746 15.5707 15.5707 15.5707 15.5707 16.1311 16.1311 16.1311 16.1311 k = 0.4881 0.4881-0.0000 ( 3164 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3397 -11.3397 -11.3395 -11.3395 -10.0250 -10.0250 -10.0248 -10.0248 -9.8022 -9.8022 -9.8020 -9.8020 -2.2742 -2.2742 -2.2693 -2.2693 -0.8354 -0.8354 -0.8314 -0.8314 4.0489 4.0489 4.0579 4.0579 5.7557 5.7557 5.7689 5.7689 7.5501 7.5501 7.5513 7.5513 7.5880 7.5880 7.6087 7.6087 8.2795 8.2795 8.2974 8.2974 10.7391 10.7391 10.7433 10.7433 12.3723 12.3723 12.3770 12.3770 15.5644 15.5644 15.5760 15.5760 16.1170 16.1170 16.1332 16.1332 k = 0.4762 0.4762-0.0000 ( 3176 PWs) bands (ev): -30.2608 -30.2608 -30.2606 -30.2606 -11.3399 -11.3399 -11.3391 -11.3391 -10.0250 -10.0250 -10.0240 -10.0240 -9.8030 -9.8030 -9.8022 -9.8022 -2.2871 -2.2871 -2.2677 -2.2677 -0.8317 -0.8317 -0.8157 -0.8157 4.0201 4.0201 4.0553 4.0553 5.7501 5.7501 5.8021 5.8021 7.5400 7.5400 7.5505 7.5505 7.5552 7.5552 7.6183 7.6183 8.2756 8.2756 8.3429 8.3429 10.7298 10.7298 10.7467 10.7467 12.3655 12.3655 12.3842 12.3842 15.5458 15.5458 15.5919 15.5919 16.0747 16.0747 16.1396 16.1396 k = 0.4643 0.4643-0.0000 ( 3180 PWs) bands (ev): -30.2609 -30.2609 -30.2605 -30.2605 -11.3402 -11.3402 -11.3384 -11.3384 -10.0251 -10.0251 -10.0228 -10.0228 -9.8041 -9.8041 -9.8024 -9.8024 -2.3079 -2.3079 -2.2650 -2.2650 -0.8256 -0.8256 -0.7903 -0.7903 3.9747 3.9747 4.0510 4.0510 5.7410 5.7410 5.8549 5.8549 7.4705 7.4705 7.5511 7.5511 7.5616 7.5616 7.6342 7.6342 8.2691 8.2691 8.4082 8.4082 10.7145 10.7145 10.7524 10.7524 12.3543 12.3543 12.3962 12.3962 15.5164 15.5164 15.6181 15.6181 16.0066 16.0066 16.1492 16.1492 k = 0.4524 0.4524-0.0000 ( 3184 PWs) bands (ev): -30.2610 -30.2610 -30.2604 -30.2604 -11.3405 -11.3405 -11.3375 -11.3375 -10.0251 -10.0251 -10.0211 -10.0211 -9.8058 -9.8058 -9.8027 -9.8027 -2.3359 -2.3359 -2.2612 -2.2612 -0.8169 -0.8169 -0.7560 -0.7560 3.9155 3.9155 4.0451 4.0451 5.7284 5.7284 5.9243 5.9243 7.3873 7.3873 7.5519 7.5519 7.5707 7.5707 7.6560 7.6560 8.2601 8.2601 8.4854 8.4854 10.6935 10.6935 10.7603 10.7603 12.3391 12.3391 12.4130 12.4130 15.4780 15.4780 15.6543 15.6543 15.9205 15.9205 16.1544 16.1544 k = 0.4405 0.4405-0.0000 ( 3184 PWs) bands (ev): -30.2612 -30.2612 -30.2602 -30.2602 -11.3410 -11.3410 -11.3362 -11.3362 -10.0252 -10.0252 -10.0190 -10.0190 -9.8078 -9.8078 -9.8031 -9.8031 -2.3699 -2.3699 -2.2563 -2.2563 -0.8059 -0.8059 -0.7140 -0.7140 3.8456 3.8456 4.0376 4.0376 5.7128 5.7128 6.0071 6.0071 7.2956 7.2956 7.5530 7.5530 7.5823 7.5823 7.6836 7.6836 8.2484 8.2484 8.5695 8.5695 10.6670 10.6670 10.7705 10.7705 12.3201 12.3201 12.4347 12.4347 15.4326 15.4326 15.7000 15.7000 15.8252 15.8252 16.0223 16.0223 k = 0.4286 0.4286-0.0000 ( 3185 PWs) bands (ev): -30.2614 -30.2614 -30.2600 -30.2600 -11.3416 -11.3416 -11.3348 -11.3348 -10.0253 -10.0253 -10.0163 -10.0163 -9.8103 -9.8103 -9.8036 -9.8036 -2.4090 -2.4090 -2.2504 -2.2504 -0.7925 -0.7925 -0.6652 -0.6652 3.7679 3.7679 4.0285 4.0285 5.6942 5.6942 6.1003 6.1003 7.1986 7.1986 7.5543 7.5543 7.5965 7.5965 7.7166 7.7166 8.2343 8.2343 8.6572 8.6572 10.6355 10.6355 10.7829 10.7829 12.2977 12.2977 12.4612 12.4612 15.3820 15.3820 15.7208 15.7208 15.7593 15.7593 15.8490 15.8490 k = 0.4167 0.4167-0.0000 ( 3195 PWs) bands (ev): -30.2617 -30.2617 -30.2598 -30.2598 -11.3423 -11.3423 -11.3331 -11.3331 -10.0255 -10.0255 -10.0132 -10.0132 -9.8131 -9.8131 -9.8042 -9.8042 -2.4521 -2.4521 -2.2434 -2.2434 -0.7768 -0.7768 -0.6108 -0.6108 3.6847 3.6847 4.0180 4.0180 5.6730 5.6730 6.2013 6.2013 7.0983 7.0983 7.5558 7.5558 7.6132 7.6132 7.7547 7.7547 8.2179 8.2179 8.7467 8.7467 10.5994 10.5994 10.7977 10.7977 12.2724 12.2724 12.4927 12.4927 15.3277 15.3277 15.6220 15.6220 15.6747 15.6747 15.8216 15.8216 k = 0.4048 0.4048-0.0000 ( 3203 PWs) bands (ev): -30.2620 -30.2620 -30.2596 -30.2596 -11.3431 -11.3431 -11.3311 -11.3311 -10.0257 -10.0257 -10.0097 -10.0097 -9.8163 -9.8163 -9.8048 -9.8048 -2.4985 -2.4985 -2.2353 -2.2353 -0.7589 -0.7589 -0.5519 -0.5519 3.5980 3.5980 4.0061 4.0061 5.6496 5.6496 6.3076 6.3076 6.9958 6.9958 7.5574 7.5574 7.6325 7.6325 7.7975 7.7975 8.1994 8.1994 8.8367 8.8367 10.5591 10.5591 10.8147 10.8147 12.2447 12.2447 12.5291 12.5291 15.2709 15.2709 15.5020 15.5020 15.5213 15.5213 15.8937 15.8937 k = 0.3929 0.3929-0.0000 ( 3209 PWs) bands (ev): -30.2623 -30.2623 -30.2592 -30.2592 -11.3440 -11.3440 -11.3290 -11.3290 -10.0260 -10.0260 -10.0057 -10.0057 -9.8198 -9.8198 -9.8055 -9.8055 -2.5472 -2.5472 -2.2263 -2.2263 -0.7387 -0.7387 -0.4893 -0.4893 3.5094 3.5094 3.9930 3.9930 5.6240 5.6240 6.4171 6.4171 6.8922 6.8922 7.5592 7.5592 7.6544 7.6544 7.8446 7.8446 8.1793 8.1793 8.9264 8.9264 10.5153 10.5153 10.8340 10.8340 12.2151 12.2151 12.5705 12.5705 15.2125 15.2125 15.3309 15.3309 15.4212 15.4212 15.8880 15.8880 k = 0.3810 0.3810-0.0000 ( 3209 PWs) bands (ev): -30.2626 -30.2626 -30.2589 -30.2589 -11.3450 -11.3450 -11.3266 -11.3266 -10.0264 -10.0264 -10.0013 -10.0013 -9.8235 -9.8235 -9.8063 -9.8063 -2.5977 -2.5977 -2.2162 -2.2162 -0.7163 -0.7163 -0.4239 -0.4239 3.4203 3.4203 3.9787 3.9787 5.5967 5.5967 6.5279 6.5279 6.7880 6.7880 7.5610 7.5610 7.6787 7.6787 7.8957 7.8957 8.1584 8.1584 9.0152 9.0152 10.4683 10.4683 10.8555 10.8555 12.1841 12.1841 12.6168 12.6168 15.1517 15.1517 15.1630 15.1630 15.3229 15.3229 15.8241 15.8241 k = 0.3690 0.3690-0.0000 ( 3211 PWs) bands (ev): -30.2630 -30.2630 -30.2586 -30.2586 -11.3462 -11.3462 -11.3241 -11.3241 -10.0269 -10.0269 -9.9965 -9.9965 -9.8274 -9.8274 -9.8071 -9.8071 -2.6494 -2.6494 -2.2050 -2.2050 -0.6919 -0.6919 -0.3565 -0.3565 3.3317 3.3317 3.9634 3.9634 5.5678 5.5678 6.6373 6.6373 6.6841 6.6841 7.5629 7.5629 7.7056 7.7056 7.9503 7.9503 8.1377 8.1377 9.1026 9.1026 10.4187 10.4187 10.8792 10.8792 12.1522 12.1522 12.6682 12.6682 14.9936 14.9936 15.0943 15.0943 15.2267 15.2267 15.7594 15.7594 k = 0.3571 0.3571-0.0000 ( 3213 PWs) bands (ev): -30.2634 -30.2634 -30.2582 -30.2582 -11.3474 -11.3474 -11.3214 -11.3214 -10.0275 -10.0275 -9.9912 -9.9912 -9.8315 -9.8315 -9.8080 -9.8080 -2.7017 -2.7017 -2.1929 -2.1929 -0.6656 -0.6656 -0.2879 -0.2879 3.2446 3.2446 3.9473 3.9473 5.5375 5.5375 6.5799 6.5799 6.7435 6.7435 7.5648 7.5648 7.7350 7.7350 8.0081 8.0081 8.1191 8.1191 9.1884 9.1884 10.3671 10.3671 10.9050 10.9050 12.1199 12.1199 12.7246 12.7246 14.8286 14.8286 15.0351 15.0351 15.1329 15.1329 15.6944 15.6944 k = 0.3452 0.3452-0.0000 ( 3217 PWs) bands (ev): -30.2638 -30.2638 -30.2578 -30.2578 -11.3487 -11.3487 -11.3186 -11.3186 -10.0282 -10.0282 -9.9857 -9.9857 -9.8357 -9.8357 -9.8090 -9.8090 -2.7544 -2.7544 -2.1798 -2.1798 -0.6373 -0.6373 -0.2187 -0.2187 3.1598 3.1598 3.9304 3.9304 5.5059 5.5059 6.4771 6.4771 6.8425 6.8425 7.5667 7.5667 7.7669 7.7669 8.0682 8.0682 8.1056 8.1056 9.2722 9.2722 10.3137 10.3137 10.9328 10.9328 12.0875 12.0875 12.7861 12.7861 14.6663 14.6663 14.9764 14.9764 15.0416 15.0416 15.6297 15.6297 k = 0.3333 0.3333-0.0000 ( 3225 PWs) bands (ev): -30.2643 -30.2643 -30.2573 -30.2573 -11.3501 -11.3501 -11.3156 -11.3156 -10.0291 -10.0291 -9.9797 -9.9797 -9.8399 -9.8399 -9.8100 -9.8100 -2.8070 -2.8070 -2.1658 -2.1658 -0.6073 -0.6073 -0.1496 -0.1496 3.0781 3.0781 3.9129 3.9129 5.4731 5.4731 6.3754 6.3754 6.9306 6.9306 7.5685 7.5685 7.8013 7.8013 8.0964 8.0964 8.1344 8.1344 9.3538 9.3538 10.2591 10.2591 10.9625 10.9625 12.0554 12.0554 12.8526 12.8526 14.5071 14.5071 14.9186 14.9186 14.9531 14.9531 15.5659 15.5659 k = 0.3214 0.3214-0.0000 ( 3229 PWs) bands (ev): -30.2648 -30.2648 -30.2569 -30.2569 -11.3516 -11.3516 -11.3126 -11.3126 -10.0302 -10.0302 -9.9735 -9.9735 -9.8441 -9.8441 -9.8110 -9.8110 -2.8594 -2.8594 -2.1509 -2.1509 -0.5756 -0.5756 -0.0814 -0.0814 3.0004 3.0004 3.8950 3.8950 5.4390 5.4390 6.2755 6.2755 7.0030 7.0030 7.5703 7.5703 7.8381 7.8381 8.1027 8.1027 8.1995 8.1995 9.4331 9.4331 10.2037 10.2037 10.9939 10.9939 12.0238 12.0238 12.9241 12.9241 14.3513 14.3513 14.8610 14.8610 14.8683 14.8683 15.5034 15.5034 k = 0.3095 0.3095-0.0000 ( 3229 PWs) bands (ev): -30.2652 -30.2652 -30.2564 -30.2564 -11.3531 -11.3531 -11.3094 -11.3094 -10.0315 -10.0315 -9.9669 -9.9669 -9.8482 -9.8482 -9.8120 -9.8120 -2.9111 -2.9111 -2.1351 -2.1351 -0.5424 -0.5424 -0.0148 -0.0148 2.9273 2.9273 3.8768 3.8768 5.4037 5.4037 6.1778 6.1778 7.0550 7.0550 7.5720 7.5720 7.8773 7.8773 8.1248 8.1248 8.2673 8.2673 9.5098 9.5098 10.1478 10.1478 11.0267 11.0267 11.9930 11.9930 13.0005 13.0005 14.1995 14.1995 14.7835 14.7835 14.8073 14.8073 15.4427 15.4427 k = 0.2976 0.2976-0.0000 ( 3229 PWs) bands (ev): -30.2657 -30.2657 -30.2559 -30.2559 -11.3548 -11.3548 -11.3063 -11.3063 -10.0330 -10.0330 -9.9601 -9.9601 -9.8523 -9.8523 -9.8131 -9.8131 -2.9621 -2.9621 -2.1184 -2.1184 -0.5078 -0.5078 0.0496 0.0496 2.8595 2.8595 3.8586 3.8586 5.3669 5.3669 6.0827 6.0827 7.0830 7.0830 7.5735 7.5735 7.9190 7.9190 8.1666 8.1666 8.3370 8.3370 9.5839 9.5839 10.0919 10.0919 11.0605 11.0605 11.9630 11.9630 13.0818 13.0818 14.0521 14.0521 14.7031 14.7031 14.7532 14.7532 15.3844 15.3844 k = 0.2857 0.2857-0.0000 ( 3229 PWs) bands (ev): -30.2662 -30.2662 -30.2554 -30.2554 -11.3565 -11.3565 -11.3030 -11.3030 -10.0347 -10.0347 -9.9531 -9.9531 -9.8562 -9.8562 -9.8141 -9.8141 -3.0122 -3.0122 -2.1010 -2.1010 -0.4719 -0.4719 0.1108 0.1108 2.7979 2.7979 3.8404 3.8404 5.3284 5.3284 5.9910 5.9910 7.0862 7.0862 7.5749 7.5749 7.9629 7.9629 8.2288 8.2288 8.4083 8.4083 9.6552 9.6552 10.0362 10.0362 11.0949 11.0949 11.9341 11.9341 13.1679 13.1679 13.9097 13.9097 14.6251 14.6251 14.7009 14.7009 15.3289 15.3289 k = 0.2738 0.2738-0.0000 ( 3227 PWs) bands (ev): -30.2668 -30.2668 -30.2549 -30.2549 -11.3583 -11.3583 -11.2998 -11.2998 -10.0366 -10.0366 -9.9459 -9.9459 -9.8598 -9.8598 -9.8152 -9.8152 -3.0611 -3.0611 -2.0828 -2.0828 -0.4348 -0.4348 0.1682 0.1682 2.7432 2.7432 3.8226 3.8226 5.2879 5.2879 5.9032 5.9032 7.0662 7.0662 7.5762 7.5762 8.0092 8.0092 8.3095 8.3095 8.4808 8.4808 9.7235 9.7235 9.9810 9.9810 11.1293 11.1293 11.9060 11.9060 13.2586 13.2586 13.7732 13.7732 14.5495 14.5495 14.6502 14.6502 15.2766 15.2766 k = 0.2619 0.2619-0.0000 ( 3229 PWs) bands (ev): -30.2673 -30.2673 -30.2544 -30.2544 -11.3601 -11.3601 -11.2966 -11.2966 -10.0388 -10.0388 -9.9385 -9.9385 -9.8633 -9.8633 -9.8162 -9.8162 -3.1088 -3.1088 -2.0639 -2.0639 -0.3968 -0.3968 0.2209 0.2209 2.6961 2.6961 3.8054 3.8054 5.2449 5.2449 5.8201 5.8201 7.0267 7.0267 7.5772 7.5772 8.0578 8.0578 8.4051 8.4051 8.5544 8.5544 9.7887 9.7887 9.9268 9.9268 11.1630 11.1630 11.8790 11.8790 13.3538 13.3538 13.6433 13.6433 14.4761 14.4761 14.6013 14.6013 15.2280 15.2280 k = 0.2500 0.2500-0.0000 ( 3233 PWs) bands (ev): -30.2678 -30.2678 -30.2539 -30.2539 -11.3620 -11.3620 -11.2934 -11.2934 -10.0412 -10.0412 -9.9310 -9.9310 -9.8665 -9.8665 -9.8172 -9.8172 -3.1552 -3.1552 -2.0444 -2.0444 -0.3580 -0.3580 0.2682 0.2682 2.6573 2.6573 3.7888 3.7888 5.1991 5.1991 5.7424 5.7424 6.9714 6.9714 7.5781 7.5781 8.1086 8.1086 8.5118 8.5118 8.6287 8.6287 9.8496 9.8496 9.8749 9.8749 11.1949 11.1949 11.8528 11.8528 13.4530 13.4530 13.5215 13.5215 14.4047 14.4047 14.5542 14.5542 15.1833 15.1833 k = 0.2381 0.2381-0.0000 ( 3237 PWs) bands (ev): -30.2684 -30.2684 -30.2534 -30.2534 -11.3639 -11.3639 -11.2902 -11.2902 -10.0437 -10.0437 -9.9235 -9.9235 -9.8694 -9.8694 -9.8182 -9.8182 -3.2000 -3.2000 -2.0243 -2.0243 -0.3186 -0.3186 0.3094 0.3094 2.6274 2.6274 3.7733 3.7733 5.1500 5.1500 5.6707 5.6707 6.9035 6.9035 7.5788 7.5788 8.1616 8.1616 8.6262 8.6262 8.7035 8.7035 9.8206 9.8206 9.9109 9.9109 11.2239 11.2239 11.8274 11.8274 13.4079 13.4079 13.5572 13.5572 14.3351 14.3351 14.5091 14.5091 15.1429 15.1429 k = 0.2262 0.2262-0.0000 ( 3237 PWs) bands (ev): -30.2689 -30.2689 -30.2529 -30.2529 -11.3658 -11.3658 -11.2871 -11.2871 -10.0465 -10.0465 -9.9160 -9.9160 -9.8721 -9.8721 -9.8191 -9.8191 -3.2433 -3.2433 -2.0037 -2.0037 -0.2787 -0.2787 0.3439 0.3439 2.6068 2.6068 3.7590 3.7590 5.0975 5.0975 5.6056 5.6056 6.8258 6.8258 7.5793 7.5793 8.2166 8.2166 8.7454 8.7454 8.7789 8.7789 9.7703 9.7703 9.9665 9.9665 11.2485 11.2485 11.8029 11.8029 13.3056 13.3056 13.6644 13.6644 14.2671 14.2671 14.4659 14.4659 15.1068 15.1068 k = 0.2143 0.2143-0.0000 ( 3235 PWs) bands (ev): -30.2694 -30.2694 -30.2524 -30.2524 -11.3677 -11.3677 -11.2840 -11.2840 -10.0493 -10.0493 -9.9086 -9.9086 -9.8744 -9.8744 -9.8199 -9.8199 -3.2849 -3.2849 -1.9828 -1.9828 -0.2386 -0.2386 0.3713 0.3713 2.5957 2.5957 3.7463 3.7463 5.0417 5.0417 5.5472 5.5472 6.7403 6.7403 7.5796 7.5796 8.2736 8.2736 8.8517 8.8517 8.8702 8.8702 9.7214 9.7214 10.0190 10.0190 11.2672 11.2672 11.7790 11.7790 13.2157 13.2157 13.7752 13.7752 14.2005 14.2005 14.4247 14.4247 15.0753 15.0753 k = 0.2024 0.2024-0.0000 ( 3235 PWs) bands (ev): -30.2699 -30.2699 -30.2519 -30.2519 -11.3697 -11.3697 -11.2811 -11.2811 -10.0524 -10.0524 -9.9013 -9.9013 -9.8765 -9.8765 -9.8206 -9.8206 -3.3248 -3.3248 -1.9615 -1.9615 -0.1985 -0.1985 0.3916 0.3916 2.5940 2.5940 3.7355 3.7355 4.9829 4.9829 5.4955 5.4955 6.6486 6.6486 7.5797 7.5797 8.3326 8.3326 8.9271 8.9271 8.9936 8.9936 9.6744 9.6744 10.0682 10.0682 11.2780 11.2780 11.7558 11.7558 13.1402 13.1402 13.8890 13.8890 14.1352 14.1352 14.3855 14.3855 15.0483 15.0483 k = 0.1905 0.1905-0.0000 ( 3239 PWs) bands (ev): -30.2704 -30.2704 -30.2514 -30.2514 -11.3716 -11.3716 -11.2782 -11.2782 -10.0555 -10.0555 -9.8942 -9.8942 -9.8783 -9.8783 -9.8212 -9.8212 -3.3627 -3.3627 -1.9401 -1.9401 -0.1587 -0.1587 0.4048 0.4048 2.6013 2.6013 3.7270 3.7270 4.9219 4.9219 5.4499 5.4499 6.5519 6.5519 7.5797 7.5797 8.3934 8.3934 9.0010 9.0010 9.1181 9.1181 9.6293 9.6293 10.1139 10.1139 11.2792 11.2792 11.7333 11.7333 13.0809 13.0809 14.0047 14.0047 14.0718 14.0718 14.3485 14.3485 15.0257 15.0257 k = 0.1786 0.1786-0.0000 ( 3241 PWs) bands (ev): -30.2709 -30.2709 -30.2509 -30.2509 -11.3735 -11.3735 -11.2755 -11.2755 -10.0586 -10.0586 -9.8875 -9.8875 -9.8798 -9.8798 -9.8215 -9.8215 -3.3988 -3.3988 -1.9186 -1.9186 -0.1193 -0.1193 0.4114 0.4114 2.6169 2.6169 3.7211 3.7211 4.8595 4.8595 5.4099 5.4099 6.4513 6.4513 7.5795 7.5795 8.4558 8.4558 9.0739 9.0739 9.2418 9.2418 9.5863 9.5863 10.1562 10.1562 11.2694 11.2694 11.7114 11.7114 13.0394 13.0394 14.0069 14.0069 14.1252 14.1252 14.3136 14.3136 15.0072 15.0072 k = 0.1667 0.1667-0.0000 ( 3245 PWs) bands (ev): -30.2713 -30.2713 -30.2505 -30.2505 -11.3754 -11.3754 -11.2729 -11.2729 -10.0618 -10.0618 -9.8819 -9.8819 -9.8802 -9.8802 -9.8217 -9.8217 -3.4329 -3.4329 -1.8971 -1.8971 -0.0806 -0.0806 0.4118 0.4118 2.6396 2.6396 3.7184 3.7184 4.7968 4.7968 5.3748 5.3748 6.3477 6.3477 7.5792 7.5792 8.5197 8.5197 9.1453 9.1453 9.3639 9.3639 9.5456 9.5456 10.1950 10.1950 11.2477 11.2477 11.6902 11.6902 13.0168 13.0168 13.9454 13.9454 14.2443 14.2443 14.2817 14.2817 14.9925 14.9925 k = 0.1548 0.1548-0.0000 ( 3235 PWs) bands (ev): -30.2718 -30.2718 -30.2501 -30.2501 -11.3772 -11.3772 -11.2704 -11.2704 -10.0649 -10.0649 -9.8824 -9.8824 -9.8748 -9.8748 -9.8216 -9.8216 -3.4649 -3.4649 -1.8759 -1.8759 -0.0428 -0.0428 0.4069 0.4069 2.6684 2.6684 3.7195 3.7195 4.7347 4.7347 5.3439 5.3439 6.2420 6.2420 7.5788 7.5788 8.5848 8.5848 9.2151 9.2151 9.4834 9.4834 9.5073 9.5073 10.2303 10.2303 11.2141 11.2141 11.6697 11.6697 13.0133 13.0133 13.8848 13.8848 14.2496 14.2496 14.3669 14.3669 14.9813 14.9813 k = 0.1429 0.1429-0.0000 ( 3235 PWs) bands (ev): -30.2722 -30.2722 -30.2496 -30.2496 -11.3790 -11.3790 -11.2681 -11.2681 -10.0680 -10.0680 -9.8833 -9.8833 -9.8695 -9.8695 -9.8211 -9.8211 -3.4949 -3.4949 -1.8551 -1.8551 -0.0064 -0.0064 0.3977 0.3977 2.7016 2.7016 3.7247 3.7247 4.6741 4.6741 5.3168 5.3168 6.1350 6.1350 7.5784 7.5784 8.6510 8.6510 9.2827 9.2827 9.4714 9.4714 9.5996 9.5996 10.2620 10.2620 11.1694 11.1694 11.6501 11.6501 13.0282 13.0282 13.8257 13.8257 14.2213 14.2213 14.4881 14.4881 14.9731 14.9731 k = 0.1310 0.1310-0.0000 ( 3239 PWs) bands (ev): -30.2726 -30.2726 -30.2493 -30.2493 -11.3807 -11.3807 -11.2660 -11.2660 -10.0710 -10.0710 -9.8840 -9.8840 -9.8647 -9.8647 -9.8203 -9.8203 -3.5226 -3.5226 -1.8349 -1.8349 0.0284 0.0284 0.3851 0.3851 2.7376 2.7376 3.7347 3.7347 4.6157 4.6157 5.2929 5.2929 6.0274 6.0274 7.5778 7.5778 8.7179 8.7179 9.3479 9.3479 9.4381 9.4381 9.7114 9.7114 10.2902 10.2902 11.1153 11.1153 11.6314 11.6314 13.0602 13.0602 13.7683 13.7683 14.1952 14.1952 14.6085 14.6085 14.9674 14.9674 k = 0.1190 0.1190-0.0000 ( 3241 PWs) bands (ev): -30.2730 -30.2730 -30.2489 -30.2489 -11.3822 -11.3822 -11.2640 -11.2640 -10.0738 -10.0738 -9.8846 -9.8846 -9.8607 -9.8607 -9.8191 -9.8191 -3.5481 -3.5481 -1.8154 -1.8154 0.0614 0.0614 0.3701 0.3701 2.7747 2.7747 3.7500 3.7500 4.5602 4.5602 5.2718 5.2718 5.9202 5.9202 7.5772 7.5772 8.7850 8.7850 9.4067 9.4067 9.4108 9.4108 9.8182 9.8182 10.3149 10.3149 11.0537 11.0537 11.6137 11.6137 13.1077 13.1077 13.7129 13.7129 14.1712 14.1712 14.7270 14.7270 14.9639 14.9639 k = 0.1071 0.1071-0.0000 ( 3243 PWs) bands (ev): -30.2733 -30.2733 -30.2486 -30.2486 -11.3837 -11.3837 -11.2622 -11.2622 -10.0764 -10.0764 -9.8850 -9.8850 -9.8575 -9.8575 -9.8174 -9.8174 -3.5714 -3.5714 -1.7968 -1.7968 0.0920 0.0920 0.3538 0.3538 2.8114 2.8114 3.7710 3.7710 4.5081 4.5081 5.2533 5.2533 5.8141 5.8141 7.5766 7.5766 8.8520 8.8520 9.3794 9.3794 9.4691 9.4691 9.9190 9.9190 10.3362 10.3362 10.9868 10.9868 11.5972 11.5972 13.1688 13.1688 13.6600 13.6600 14.1494 14.1494 14.8423 14.8423 14.9620 14.9620 k = 0.0952 0.0952-0.0000 ( 3253 PWs) bands (ev): -30.2736 -30.2736 -30.2483 -30.2483 -11.3851 -11.3851 -11.2605 -11.2605 -10.0789 -10.0789 -9.8854 -9.8854 -9.8549 -9.8549 -9.8155 -9.8155 -3.5923 -3.5923 -1.7794 -1.7794 0.1201 0.1201 0.3371 0.3371 2.8462 2.8462 3.7976 3.7976 4.4602 4.4602 5.2371 5.2371 5.7103 5.7103 7.5760 7.5760 8.9180 8.9180 9.3542 9.3542 9.5240 9.5240 10.0130 10.0130 10.3542 10.3542 10.9170 10.9170 11.5820 11.5820 13.2418 13.2418 13.6101 13.6101 14.1299 14.1299 14.9511 14.9511 14.9630 14.9630 k = 0.0833 0.0833-0.0000 ( 3257 PWs) bands (ev): -30.2739 -30.2739 -30.2480 -30.2480 -11.3863 -11.3863 -11.2591 -11.2591 -10.0811 -10.0811 -9.8857 -9.8857 -9.8530 -9.8530 -9.8134 -9.8134 -3.6109 -3.6109 -1.7634 -1.7634 0.1450 0.1450 0.3209 0.3209 2.8780 2.8780 3.8295 3.8295 4.4167 4.4167 5.2231 5.2231 5.6099 5.6099 7.5754 7.5754 8.9823 8.9823 9.3319 9.3319 9.5746 9.5746 10.0993 10.0993 10.3690 10.3690 10.8465 10.8465 11.5681 11.5681 13.3252 13.3252 13.5638 13.5638 14.1127 14.1127 14.9609 14.9609 15.0570 15.0570 k = 0.0714 0.0714-0.0000 ( 3259 PWs) bands (ev): -30.2742 -30.2742 -30.2477 -30.2477 -11.3874 -11.3874 -11.2578 -11.2578 -10.0831 -10.0831 -9.8859 -9.8859 -9.8516 -9.8516 -9.8112 -9.8112 -3.6270 -3.6270 -1.7490 -1.7490 0.1663 0.1663 0.3064 0.3064 2.9059 2.9059 3.8659 3.8659 4.3782 4.3782 5.2110 5.2110 5.5145 5.5145 7.5749 7.5749 9.0439 9.0439 9.3124 9.3124 9.6201 9.6201 10.1767 10.1767 10.3809 10.3809 10.7775 10.7775 11.5558 11.5558 13.4176 13.4176 13.5216 13.5216 14.0977 14.0977 14.9578 14.9578 14.9890 14.9890 k = 0.0595 0.0595-0.0000 ( 3265 PWs) bands (ev): -30.2744 -30.2744 -30.2475 -30.2475 -11.3883 -11.3883 -11.2567 -11.2567 -10.0848 -10.0848 -9.8860 -9.8860 -9.8506 -9.8506 -9.8091 -9.8091 -3.6408 -3.6408 -1.7364 -1.7364 0.1834 0.1834 0.2943 0.2943 2.9294 2.9294 3.9050 3.9050 4.3449 4.3449 5.2006 5.2006 5.4261 5.4261 7.5744 7.5744 9.1012 9.1012 9.2959 9.2959 9.6601 9.6601 10.2444 10.2444 10.3902 10.3902 10.7125 10.7125 11.5451 11.5451 13.4842 13.4842 13.5181 13.5181 14.0851 14.0851 14.8318 14.8318 14.9645 14.9645 k = 0.0476 0.0476-0.0000 ( 3277 PWs) bands (ev): -30.2746 -30.2746 -30.2474 -30.2474 -11.3891 -11.3891 -11.2558 -11.2558 -10.0862 -10.0862 -9.8861 -9.8861 -9.8499 -9.8499 -9.8072 -9.8072 -3.6520 -3.6520 -1.7258 -1.7258 0.1957 0.1957 0.2858 0.2858 2.9484 2.9484 3.9446 3.9446 4.3172 4.3172 5.1918 5.1918 5.3471 5.3471 7.5739 7.5739 9.1526 9.1526 9.2824 9.2824 9.6939 9.6939 10.3014 10.3014 10.3972 10.3972 10.6539 10.6539 11.5361 11.5361 13.4525 13.4525 13.6252 13.6252 14.0747 14.0747 14.6839 14.6839 14.9652 14.9652 k = 0.0357 0.0357-0.0000 ( 3273 PWs) bands (ev): -30.2747 -30.2747 -30.2473 -30.2473 -11.3897 -11.3897 -11.2551 -11.2551 -10.0873 -10.0873 -9.8862 -9.8862 -9.8495 -9.8495 -9.8056 -9.8056 -3.6608 -3.6608 -1.7173 -1.7173 0.2030 0.2030 0.2812 0.2812 2.9630 2.9630 3.9814 3.9814 4.2954 4.2954 5.1839 5.1839 5.2812 5.2812 7.5736 7.5736 9.1961 9.1961 9.2718 9.2718 9.7209 9.7209 10.3466 10.3466 10.4024 10.4024 10.6043 10.6043 11.5290 11.5290 13.4270 13.4270 13.7382 13.7382 14.0667 14.0667 14.5394 14.5394 14.9661 14.9661 k = 0.0238 0.0238-0.0000 ( 3281 PWs) bands (ev): -30.2748 -30.2748 -30.2472 -30.2472 -11.3902 -11.3902 -11.2546 -11.2546 -10.0881 -10.0881 -9.8862 -9.8862 -9.8492 -9.8492 -9.8045 -9.8045 -3.6671 -3.6671 -1.7111 -1.7111 0.2062 0.2062 0.2797 0.2797 2.9731 2.9731 4.0119 4.0119 4.2797 4.2797 5.1755 5.1755 5.2329 5.2329 7.5733 7.5733 9.2293 9.2293 9.2645 9.2645 9.7407 9.7407 10.3790 10.3790 10.4063 10.4063 10.5662 10.5662 11.5239 11.5239 13.4082 13.4082 13.8557 13.8557 14.0611 14.0611 14.3995 14.3995 14.9669 14.9669 k = 0.0119 0.0119-0.0000 ( 3293 PWs) bands (ev): -30.2749 -30.2749 -30.2471 -30.2471 -11.3904 -11.3904 -11.2543 -11.2543 -10.0886 -10.0886 -9.8863 -9.8863 -9.8490 -9.8490 -9.8038 -9.8038 -3.6709 -3.6709 -1.7074 -1.7074 0.2071 0.2071 0.2797 0.2797 2.9791 2.9791 4.0321 4.0321 4.2702 4.2702 5.1653 5.1653 5.2073 5.2073 7.5732 7.5732 9.2494 9.2494 9.2609 9.2609 9.7527 9.7527 10.3968 10.3968 10.4103 10.4103 10.5422 10.5422 11.5208 11.5208 13.3968 13.3968 13.9734 13.9734 14.0584 14.0584 14.2678 14.2678 14.9674 14.9674 k = 0.0000 0.0000 0.0000 ( 3297 PWs) bands (ev): -30.2749 -30.2749 -30.2471 -30.2471 -11.3905 -11.3905 -11.2542 -11.2542 -10.0888 -10.0888 -9.8863 -9.8863 -9.8490 -9.8490 -9.8035 -9.8035 -3.6722 -3.6722 -1.7061 -1.7061 0.2073 0.2073 0.2799 0.2799 2.9811 2.9811 4.0393 4.0393 4.2670 4.2670 5.1597 5.1597 5.2006 5.2006 7.5731 7.5731 9.2542 9.2542 9.2618 9.2618 9.7567 9.7567 10.4012 10.4012 10.4132 10.4132 10.5340 10.5340 11.5197 11.5197 13.3930 13.3930 14.0440 14.0440 14.0684 14.0684 14.1817 14.1817 14.9676 14.9676 k = 0.0000 0.0000 0.0000 ( 3297 PWs) bands (ev): -30.2749 -30.2749 -30.2471 -30.2471 -11.3905 -11.3905 -11.2542 -11.2542 -10.0888 -10.0888 -9.8863 -9.8863 -9.8490 -9.8490 -9.8035 -9.8035 -3.6722 -3.6722 -1.7061 -1.7061 0.2073 0.2073 0.2799 0.2799 2.9811 2.9811 4.0393 4.0393 4.2670 4.2670 5.1597 5.1597 5.2006 5.2006 7.5731 7.5731 9.2542 9.2542 9.2618 9.2618 9.7567 9.7567 10.4012 10.4012 10.4132 10.4132 10.5340 10.5340 11.5197 11.5197 13.3930 13.3930 14.0440 14.0440 14.0684 14.0684 14.1817 14.1817 14.9676 14.9676 k = 0.0000 0.0000 0.0167 ( 3290 PWs) bands (ev): -30.2749 -30.2749 -30.2470 -30.2470 -11.3906 -11.3906 -11.2544 -11.2544 -10.0886 -10.0886 -9.8867 -9.8867 -9.8495 -9.8495 -9.8034 -9.8034 -3.6710 -3.6710 -1.7058 -1.7058 0.2066 0.2066 0.2792 0.2792 2.9817 2.9817 4.0398 4.0398 4.2687 4.2687 5.1590 5.1590 5.1998 5.1998 7.5676 7.5676 9.2543 9.2543 9.2620 9.2620 9.7573 9.7573 10.4010 10.4010 10.4130 10.4130 10.5260 10.5260 11.5256 11.5256 13.3977 13.3977 14.0443 14.0443 14.0686 14.0686 14.1551 14.1551 14.9998 14.9998 k = 0.0000 0.0000 0.0334 ( 3282 PWs) bands (ev): -30.2747 -30.2747 -30.2469 -30.2469 -11.3907 -11.3907 -11.2550 -11.2550 -10.0881 -10.0881 -9.8879 -9.8879 -9.8511 -9.8511 -9.8031 -9.8031 -3.6675 -3.6675 -1.7046 -1.7046 0.2048 0.2048 0.2771 0.2771 2.9836 2.9836 4.0413 4.0413 4.2739 4.2739 5.1569 5.1569 5.1975 5.1975 7.5513 7.5513 9.2546 9.2546 9.2627 9.2627 9.7592 9.7592 10.4002 10.4002 10.4122 10.4122 10.5021 10.5021 11.5431 11.5431 13.4101 13.4101 14.0453 14.0453 14.0674 14.0674 14.0903 14.0903 15.0851 15.0851 k = 0.0000 0.0000 0.0501 ( 3274 PWs) bands (ev): -30.2745 -30.2745 -30.2468 -30.2468 -11.3909 -11.3909 -11.2559 -11.2559 -10.0873 -10.0873 -9.8899 -9.8899 -9.8536 -9.8536 -9.8027 -9.8027 -3.6617 -3.6617 -1.7026 -1.7026 0.2016 0.2016 0.2735 0.2735 2.9868 2.9868 4.0438 4.0438 4.2825 4.2825 5.1533 5.1533 5.1936 5.1936 7.5244 7.5244 9.2550 9.2550 9.2638 9.2638 9.7622 9.7622 10.3990 10.3990 10.4109 10.4109 10.4634 10.4634 11.5719 11.5719 13.4230 13.4230 14.0051 14.0051 14.0469 14.0469 14.0730 14.0730 15.2035 15.2035 k = 0.0000 0.0000 0.0668 ( 3278 PWs) bands (ev): -30.2743 -30.2743 -30.2465 -30.2465 -11.3911 -11.3911 -11.2572 -11.2572 -10.0861 -10.0861 -9.8928 -9.8928 -9.8572 -9.8572 -9.8020 -9.8020 -3.6537 -3.6537 -1.6998 -1.6998 0.1973 0.1973 0.2685 0.2685 2.9912 2.9912 4.0473 4.0473 4.2945 4.2945 5.1483 5.1483 5.1883 5.1883 7.4875 7.4875 9.2556 9.2556 9.2653 9.2653 9.7663 9.7663 10.3972 10.3972 10.4090 10.4090 10.4113 10.4113 11.6116 11.6116 13.4217 13.4217 13.9374 13.9374 14.0491 14.0491 14.0751 14.0751 15.3408 15.3408 k = 0.0000 0.0000 0.0836 ( 3270 PWs) bands (ev): -30.2739 -30.2739 -30.2462 -30.2462 -11.3915 -11.3915 -11.2588 -11.2588 -10.0846 -10.0846 -9.8964 -9.8964 -9.8617 -9.8617 -9.8011 -9.8011 -3.6433 -3.6433 -1.6963 -1.6963 0.1917 0.1917 0.2622 0.2622 2.9969 2.9969 4.0517 4.0517 4.3098 4.3098 5.1420 5.1420 5.1814 5.1814 7.4413 7.4413 9.2564 9.2564 9.2674 9.2674 9.7717 9.7717 10.3471 10.3471 10.3950 10.3950 10.4068 10.4068 11.6617 11.6617 13.3862 13.3862 13.9088 13.9088 14.0521 14.0521 14.0784 14.0784 15.4589 15.4589 k = 0.0000 0.0000 0.1003 ( 3262 PWs) bands (ev): -30.2735 -30.2735 -30.2458 -30.2458 -11.3919 -11.3919 -11.2608 -11.2608 -10.0828 -10.0828 -9.9007 -9.9007 -9.8671 -9.8671 -9.8001 -9.8001 -3.6308 -3.6308 -1.6920 -1.6920 0.1850 0.1850 0.2545 0.2545 3.0037 3.0037 4.0571 4.0571 4.3284 4.3284 5.1343 5.1343 5.1731 5.1731 7.3865 7.3865 9.2573 9.2573 9.2698 9.2698 9.7782 9.7782 10.2729 10.2729 10.3924 10.3924 10.4040 10.4040 11.7213 11.7213 13.3086 13.3086 13.9299 13.9299 14.0558 14.0558 14.0825 14.0825 15.4783 15.4783 k = 0.0000 0.0000 0.1170 ( 3266 PWs) bands (ev): -30.2730 -30.2730 -30.2453 -30.2453 -11.3925 -11.3925 -11.2632 -11.2632 -10.0807 -10.0807 -9.9058 -9.9058 -9.8734 -9.8734 -9.7989 -9.7989 -3.6162 -3.6162 -1.6870 -1.6870 0.1772 0.1772 0.2455 0.2455 3.0118 3.0118 4.0634 4.0634 4.3501 4.3501 5.1252 5.1252 5.1634 5.1634 7.3239 7.3239 9.2584 9.2584 9.2727 9.2727 9.7858 9.7858 10.1902 10.1902 10.3894 10.3894 10.4008 10.4008 11.7897 11.7897 13.2005 13.2005 13.9898 13.9898 14.0602 14.0602 14.0877 14.0877 15.5011 15.5011 k = 0.0000 0.0000 0.1337 ( 3258 PWs) bands (ev): -30.2725 -30.2725 -30.2448 -30.2448 -11.3931 -11.3931 -11.2660 -11.2660 -10.0782 -10.0782 -9.9115 -9.9115 -9.8806 -9.8806 -9.7975 -9.7975 -3.5995 -3.5995 -1.6812 -1.6812 0.1682 0.1682 0.2352 0.2352 3.0211 3.0211 4.0706 4.0706 4.3750 4.3750 5.1150 5.1150 5.1523 5.1523 7.2545 7.2545 9.2597 9.2597 9.2760 9.2760 9.7945 9.7945 10.1007 10.1007 10.3860 10.3860 10.3973 10.3973 11.8664 11.8664 13.0757 13.0757 14.0655 14.0655 14.0722 14.0722 14.0961 14.0961 15.5274 15.5274 k = 0.0000 0.0000 0.1504 ( 3242 PWs) bands (ev): -30.2718 -30.2718 -30.2441 -30.2441 -11.3938 -11.3938 -11.2691 -11.2691 -10.0755 -10.0755 -9.9178 -9.9178 -9.8884 -9.8884 -9.7959 -9.7959 -3.5808 -3.5808 -1.6747 -1.6747 0.1582 0.1582 0.2237 0.2237 3.0315 3.0315 4.0787 4.0787 4.4028 4.4028 5.1035 5.1035 5.1400 5.1400 7.1791 7.1791 9.2612 9.2612 9.2797 9.2797 9.8043 9.8043 10.0058 10.0058 10.3823 10.3823 10.3934 10.3934 11.9504 11.9504 12.9426 12.9426 14.0716 14.0716 14.0988 14.0988 14.1774 14.1774 15.5572 15.5572 k = 0.0000 0.0000 0.1671 ( 3246 PWs) bands (ev): -30.2712 -30.2712 -30.2435 -30.2435 -11.3947 -11.3947 -11.2726 -11.2726 -10.0725 -10.0725 -9.9248 -9.9248 -9.8970 -9.8970 -9.7942 -9.7942 -3.5603 -3.5603 -1.6676 -1.6676 0.1472 0.1472 0.2111 0.2111 3.0430 3.0430 4.0875 4.0875 4.4334 4.4334 5.0909 5.0909 5.1265 5.1265 7.0985 7.0985 9.2629 9.2629 9.2838 9.2838 9.8152 9.8152 9.9066 9.9066 10.3783 10.3783 10.3892 10.3892 12.0412 12.0412 12.8055 12.8055 14.0787 14.0787 14.1070 14.1070 14.2890 14.2890 15.5904 15.5904 k = 0.0000 0.0000 0.1838 ( 3238 PWs) bands (ev): -30.2704 -30.2704 -30.2428 -30.2428 -11.3956 -11.3956 -11.2764 -11.2764 -10.0692 -10.0692 -9.9322 -9.9322 -9.9061 -9.9061 -9.7923 -9.7923 -3.5379 -3.5379 -1.6598 -1.6598 0.1353 0.1353 0.1974 0.1974 3.0556 3.0556 4.0971 4.0971 4.4668 4.4668 5.0773 5.0773 5.1118 5.1118 7.0135 7.0135 9.2647 9.2647 9.2882 9.2882 9.8044 9.8044 9.8271 9.8271 10.3741 10.3741 10.3848 10.3848 12.1382 12.1382 12.6668 12.6668 14.0867 14.0867 14.1159 14.1159 14.4090 14.4090 15.6269 15.6269 k = 0.0000 0.0000 0.2005 ( 3234 PWs) bands (ev): -30.2696 -30.2696 -30.2420 -30.2420 -11.3967 -11.3967 -11.2806 -11.2806 -10.0657 -10.0657 -9.9402 -9.9402 -9.9158 -9.9158 -9.7903 -9.7903 -3.5139 -3.5139 -1.6514 -1.6514 0.1224 0.1224 0.1827 0.1827 3.0693 3.0693 4.1074 4.1074 4.5028 4.5028 5.0627 5.0627 5.0960 5.0960 6.9249 6.9249 9.2668 9.2668 9.2931 9.2931 9.7000 9.7000 9.8400 9.8400 10.3697 10.3697 10.3802 10.3802 12.2407 12.2407 12.5278 12.5278 14.0957 14.0957 14.1257 14.1257 14.5351 14.5351 15.6668 15.6668 k = 0.0000 0.0000 0.2172 ( 3238 PWs) bands (ev): -30.2688 -30.2688 -30.2412 -30.2412 -11.3979 -11.3979 -11.2852 -11.2852 -10.0620 -10.0620 -9.9485 -9.9485 -9.9260 -9.9260 -9.7882 -9.7882 -3.4882 -3.4882 -1.6424 -1.6424 0.1088 0.1088 0.1671 0.1671 3.0840 3.0840 4.1184 4.1184 4.5412 4.5412 5.0471 5.0471 5.0792 5.0792 6.8334 6.8334 9.2691 9.2691 9.2983 9.2983 9.5942 9.5942 9.8538 9.8538 10.3651 10.3651 10.3754 10.3754 12.3483 12.3483 12.3895 12.3895 14.1057 14.1057 14.1365 14.1365 14.6659 14.6659 15.7101 15.7101 k = 0.0000 0.0000 0.2339 ( 3226 PWs) bands (ev): -30.2679 -30.2679 -30.2403 -30.2403 -11.3992 -11.3992 -11.2901 -11.2901 -10.0580 -10.0580 -9.9572 -9.9572 -9.9365 -9.9365 -9.7859 -9.7859 -3.4611 -3.4611 -1.6328 -1.6328 0.0944 0.0944 0.1507 0.1507 3.0996 3.0996 4.1299 4.1299 4.5818 4.5818 5.0307 5.0307 5.0616 5.0616 6.7396 6.7396 9.2715 9.2715 9.3038 9.3038 9.4878 9.4878 9.8685 9.8685 10.3605 10.3605 10.3705 10.3705 12.2525 12.2525 12.4605 12.4605 14.1168 14.1168 14.1485 14.1485 14.8004 14.8004 15.7566 15.7566 k = 0.0000 0.0000 0.2507 ( 3222 PWs) bands (ev): -30.2669 -30.2669 -30.2395 -30.2395 -11.4007 -11.4007 -11.2953 -11.2953 -10.0539 -10.0539 -9.9663 -9.9663 -9.9473 -9.9473 -9.7836 -9.7836 -3.4327 -3.4327 -1.6228 -1.6228 0.0794 0.0794 0.1334 0.1334 3.1162 3.1162 4.1421 4.1421 4.6245 4.6245 5.0135 5.0135 5.0431 5.0431 6.6441 6.6441 9.2742 9.2742 9.3096 9.3096 9.3812 9.3812 9.8840 9.8840 10.3558 10.3558 10.3656 10.3656 12.1171 12.1171 12.5769 12.5769 14.1291 14.1291 14.1617 14.1617 14.9375 14.9375 15.8062 15.8062 k = 0.0000 0.0000 0.2674 ( 3226 PWs) bands (ev): -30.2659 -30.2659 -30.2385 -30.2385 -11.4022 -11.4022 -11.3009 -11.3009 -10.0495 -10.0495 -9.9756 -9.9756 -9.9583 -9.9583 -9.7811 -9.7811 -3.4031 -3.4031 -1.6123 -1.6123 0.0637 0.0637 0.1155 0.1155 3.1336 3.1336 4.1547 4.1547 4.6690 4.6690 4.9958 4.9958 5.0240 5.0240 6.5475 6.5475 9.2746 9.2746 9.2770 9.2770 9.3161 9.3161 9.9003 9.9003 10.3510 10.3510 10.3607 10.3607 11.9837 11.9837 12.6973 12.6973 14.1425 14.1425 14.1760 14.1760 15.0767 15.0767 15.8590 15.8590 k = 0.0000 0.0000 0.2841 ( 3234 PWs) bands (ev): -30.2649 -30.2649 -30.2376 -30.2376 -11.4040 -11.4040 -11.3068 -11.3068 -10.0450 -10.0450 -9.9850 -9.9850 -9.9695 -9.9695 -9.7785 -9.7785 -3.3724 -3.3724 -1.6013 -1.6013 0.0475 0.0475 0.0970 0.0970 3.1518 3.1518 4.1677 4.1677 4.7152 4.7152 4.9774 4.9774 5.0042 5.0042 6.4501 6.4501 9.1693 9.1693 9.2800 9.2800 9.3223 9.3223 9.9174 9.9174 10.3463 10.3463 10.3557 10.3557 11.8526 11.8526 12.8214 12.8214 14.1571 14.1571 14.1914 14.1914 15.2173 15.2173 15.8961 15.8961 k = 0.0000 0.0000 0.3008 ( 3234 PWs) bands (ev): -30.2639 -30.2639 -30.2366 -30.2366 -11.4058 -11.4058 -11.3130 -11.3130 -10.0404 -10.0404 -9.9946 -9.9946 -9.9808 -9.9808 -9.7759 -9.7759 -3.3408 -3.3408 -1.5900 -1.5900 0.0309 0.0309 0.0779 0.0779 3.1707 3.1707 4.1812 4.1812 4.7628 4.7628 4.9586 4.9586 4.9840 4.9840 6.3525 6.3525 9.0651 9.0651 9.2832 9.2832 9.3290 9.3290 9.9351 9.9351 10.3417 10.3417 10.3509 10.3509 11.7240 11.7240 12.9487 12.9487 14.1730 14.1730 14.2082 14.2082 15.3589 15.3589 15.9283 15.9283 k = 0.0000 0.0000 0.3175 ( 3234 PWs) bands (ev): -30.2628 -30.2628 -30.2356 -30.2356 -11.4078 -11.4078 -11.3194 -11.3194 -10.0356 -10.0356 -10.0043 -10.0043 -9.9920 -9.9920 -9.7732 -9.7732 -3.3083 -3.3083 -1.5783 -1.5783 0.0139 0.0139 0.0585 0.0585 3.1903 3.1903 4.1949 4.1949 4.8115 4.8115 4.9395 4.9395 4.9633 4.9633 6.2551 6.2551 8.9624 8.9624 9.2866 9.2866 9.3359 9.3359 9.9534 9.9534 10.3371 10.3371 10.3461 10.3461 11.5982 11.5982 13.0793 13.0793 14.1901 14.1901 14.2261 14.2261 15.5010 15.5010 15.9616 15.9616 k = 0.0000 0.0000 0.3342 ( 3230 PWs) bands (ev): -30.2617 -30.2617 -30.2345 -30.2345 -11.4099 -11.4099 -11.3261 -11.3261 -10.0308 -10.0308 -10.0140 -10.0140 -10.0031 -10.0031 -9.7705 -9.7705 -3.2752 -3.2752 -1.5664 -1.5664 -0.0033 -0.0033 0.0388 0.0388 3.2105 3.2105 4.2089 4.2089 4.8608 4.8608 4.9206 4.9206 4.9423 4.9423 6.1582 6.1582 8.8616 8.8616 9.2901 9.2901 9.3429 9.3429 9.9723 9.9723 10.3327 10.3327 10.3415 10.3415 11.4752 11.4752 13.2127 13.2127 14.2085 14.2085 14.2454 14.2454 15.6431 15.6431 15.9961 15.9961 k = 0.0000 0.0000 0.3509 ( 3230 PWs) bands (ev): -30.2606 -30.2606 -30.2335 -30.2335 -11.4121 -11.4121 -11.3330 -11.3330 -10.0259 -10.0259 -10.0236 -10.0236 -10.0142 -10.0142 -9.7677 -9.7677 -3.2417 -3.2417 -1.5542 -1.5542 -0.0208 -0.0208 0.0189 0.0189 3.2312 3.2312 4.2231 4.2231 4.8957 4.8957 4.9167 4.9167 4.9212 4.9212 6.0623 6.0623 8.7629 8.7629 9.2938 9.2938 9.3502 9.3502 9.9915 9.9915 10.3284 10.3284 10.3371 10.3371 11.3553 11.3553 13.3488 13.3488 14.2281 14.2281 14.2659 14.2659 15.7846 15.7846 16.0316 16.0316 k = 0.0000 0.0000 0.3676 ( 3230 PWs) bands (ev): -30.2595 -30.2595 -30.2324 -30.2324 -11.4145 -11.4145 -11.3401 -11.3401 -10.0331 -10.0331 -10.0250 -10.0250 -10.0209 -10.0209 -9.7649 -9.7649 -3.2077 -3.2077 -1.5419 -1.5419 -0.0383 -0.0383 -0.0012 -0.0012 3.2523 3.2523 4.2374 4.2374 4.8791 4.8791 4.8999 4.8999 4.9648 4.9648 5.9676 5.9676 8.6665 8.6665 9.2977 9.2977 9.3576 9.3576 10.0112 10.0112 10.3243 10.3243 10.3328 10.3328 11.2386 11.2386 13.4874 13.4874 14.2491 14.2491 14.2876 14.2876 15.9239 15.9239 16.0692 16.0692 k = 0.0000 0.0000 0.3843 ( 3230 PWs) bands (ev): -30.2584 -30.2584 -30.2313 -30.2313 -11.4170 -11.4170 -11.3473 -11.3473 -10.0425 -10.0425 -10.0355 -10.0355 -10.0159 -10.0159 -9.7620 -9.7620 -3.1736 -3.1736 -1.5295 -1.5295 -0.0558 -0.0558 -0.0212 -0.0212 3.2737 3.2737 4.2518 4.2518 4.8596 4.8596 4.8787 4.8787 5.0160 5.0160 5.8744 5.8744 8.5727 8.5727 9.3016 9.3016 9.3651 9.3651 10.0311 10.0311 10.3204 10.3204 10.3287 10.3287 11.1254 11.1254 13.6282 13.6282 14.2714 14.2714 14.3106 14.3106 16.0515 16.0515 16.1175 16.1175 k = 0.0000 0.0000 0.4011 ( 3238 PWs) bands (ev): -30.2573 -30.2573 -30.2303 -30.2303 -11.4195 -11.4195 -11.3547 -11.3547 -10.0517 -10.0517 -10.0458 -10.0458 -10.0109 -10.0109 -9.7592 -9.7592 -3.1395 -3.1395 -1.5170 -1.5170 -0.0733 -0.0733 -0.0412 -0.0412 3.2954 3.2954 4.2661 4.2661 4.8401 4.8401 4.8575 4.8575 5.0675 5.0675 5.7831 5.7831 8.4817 8.4817 9.3057 9.3057 9.3726 9.3726 10.0512 10.0512 10.3166 10.3166 10.3248 10.3248 11.0157 11.0157 13.7711 13.7711 14.2949 14.2949 14.3348 14.3348 16.1196 16.1196 16.2233 16.2233 k = 0.0000 0.0000 0.4178 ( 3238 PWs) bands (ev): -30.2562 -30.2562 -30.2292 -30.2292 -11.4222 -11.4222 -11.3621 -11.3621 -10.0607 -10.0607 -10.0557 -10.0557 -10.0060 -10.0060 -9.7564 -9.7564 -3.1054 -3.1054 -1.5045 -1.5045 -0.0906 -0.0906 -0.0610 -0.0610 3.3172 3.3172 4.2805 4.2805 4.8206 4.8206 4.8366 4.8366 5.1189 5.1189 5.6939 5.6939 8.3938 8.3938 9.3098 9.3098 9.3802 9.3802 10.0714 10.0714 10.3131 10.3131 10.3212 10.3212 10.9097 10.9097 13.9156 13.9156 14.3199 14.3199 14.3602 14.3602 16.1559 16.1559 16.3577 16.3577 k = 0.0000 0.0000 0.4345 ( 3238 PWs) bands (ev): -30.2551 -30.2551 -30.2282 -30.2282 -11.4249 -11.4249 -11.3696 -11.3696 -10.0694 -10.0694 -10.0653 -10.0653 -10.0011 -10.0011 -9.7537 -9.7537 -3.0717 -3.0717 -1.4921 -1.4921 -0.1077 -0.1077 -0.0805 -0.0805 3.3390 3.3390 4.2947 4.2947 4.8014 4.8014 4.8160 4.8160 5.1699 5.1699 5.6070 5.6070 8.3089 8.3089 9.3140 9.3140 9.3877 9.3877 10.0916 10.0916 10.3099 10.3099 10.3178 10.3178 10.8076 10.8076 14.0614 14.0614 14.3465 14.3465 14.3869 14.3869 16.1853 16.1853 16.4942 16.4942 k = 0.0000 0.0000 0.4512 ( 3258 PWs) bands (ev): -30.2540 -30.2540 -30.2272 -30.2272 -11.4277 -11.4277 -11.3771 -11.3771 -10.0778 -10.0778 -10.0744 -10.0744 -9.9962 -9.9962 -9.7509 -9.7509 -3.0384 -3.0384 -1.4799 -1.4799 -0.1245 -0.1245 -0.0997 -0.0997 3.3608 3.3608 4.3088 4.3088 4.7826 4.7826 4.7959 4.7959 5.2201 5.2201 5.5228 5.5228 8.2274 8.2274 9.3182 9.3182 9.3952 9.3952 10.1117 10.1117 10.3068 10.3068 10.3146 10.3146 10.7095 10.7095 14.2072 14.2072 14.3753 14.3753 14.4147 14.4147 16.2087 16.2087 16.6028 16.6028 k = 0.0000 0.0000 0.4679 ( 3258 PWs) bands (ev): -30.2530 -30.2530 -30.2262 -30.2262 -11.4305 -11.4305 -11.3846 -11.3846 -10.0859 -10.0859 -10.0830 -10.0830 -9.9915 -9.9915 -9.7483 -9.7483 -3.0057 -3.0057 -1.4678 -1.4678 -0.1408 -0.1408 -0.1184 -0.1184 3.3824 3.3824 4.3227 4.3227 4.7643 4.7643 4.7762 4.7762 5.2695 5.2695 5.4413 5.4413 8.1495 8.1495 9.3224 9.3224 9.4026 9.4026 10.1316 10.1316 10.3039 10.3039 10.3117 10.3117 10.6155 10.6155 14.3461 14.3461 14.4132 14.4132 14.4436 14.4436 16.2248 16.2248 16.5944 16.5944 k = 0.0000 0.0000 0.4846 ( 3274 PWs) bands (ev): -30.2520 -30.2520 -30.2252 -30.2252 -11.4333 -11.4333 -11.3919 -11.3919 -10.0936 -10.0936 -10.0912 -10.0912 -9.9869 -9.9869 -9.7457 -9.7457 -2.9737 -2.9737 -1.4560 -1.4560 -0.1567 -0.1567 -0.1365 -0.1365 3.4036 3.4036 4.3364 4.3364 4.7464 4.7464 4.7571 4.7571 5.3176 5.3176 5.3629 5.3629 8.0751 8.0751 9.3266 9.3266 9.4099 9.4099 10.1511 10.1511 10.3013 10.3013 10.3090 10.3090 10.5259 10.5259 14.4193 14.4193 14.4735 14.4735 14.5182 14.5182 16.2322 16.2322 16.5251 16.5251 k = 0.0000 0.0000 0.5013 ( 3274 PWs) bands (ev): -30.2510 -30.2510 -30.2243 -30.2243 -11.4362 -11.4362 -11.3991 -11.3991 -10.1010 -10.1010 -10.0989 -10.0989 -9.9824 -9.9824 -9.7432 -9.7432 -2.9427 -2.9427 -1.4445 -1.4445 -0.1720 -0.1720 -0.1540 -0.1540 3.4245 3.4245 4.3499 4.3499 4.7293 4.7293 4.7387 4.7387 5.2878 5.2878 5.3643 5.3643 8.0046 8.0046 9.3308 9.3308 9.4170 9.4170 10.1702 10.1702 10.2990 10.2990 10.3065 10.3065 10.4407 10.4407 14.4541 14.4541 14.5044 14.5044 14.6627 14.6627 16.2301 16.2301 16.4530 16.4530 k = 0.0000 0.0000 0.5180 ( 3266 PWs) bands (ev): -30.2500 -30.2500 -30.2234 -30.2234 -11.4389 -11.4389 -11.4061 -11.4061 -10.1079 -10.1079 -10.1061 -10.1061 -9.9781 -9.9781 -9.7408 -9.7408 -2.9128 -2.9128 -1.4334 -1.4334 -0.1867 -0.1867 -0.1708 -0.1708 3.4447 3.4447 4.3630 4.3630 4.7128 4.7128 4.7212 4.7212 5.2160 5.2160 5.4094 5.4094 7.9379 7.9379 9.3348 9.3348 9.4239 9.4239 10.1888 10.1888 10.2968 10.2968 10.3042 10.3042 10.3603 10.3603 14.4864 14.4864 14.5362 14.5362 14.8100 14.8100 16.2191 16.2191 16.3815 16.3815 k = 0.0000 0.0000 0.5347 ( 3266 PWs) bands (ev): -30.2491 -30.2491 -30.2225 -30.2225 -11.4417 -11.4417 -11.4129 -11.4129 -10.1145 -10.1145 -10.1128 -10.1128 -9.9740 -9.9740 -9.7384 -9.7384 -2.8841 -2.8841 -1.4227 -1.4227 -0.2007 -0.2007 -0.1868 -0.1868 3.4643 3.4643 4.3759 4.3759 4.6972 4.6972 4.7044 4.7044 5.1478 5.1478 5.4525 5.4525 7.8753 7.8753 9.3388 9.3388 9.4306 9.4306 10.2067 10.2067 10.2841 10.2841 10.2948 10.2948 10.3026 10.3026 14.5187 14.5187 14.5687 14.5687 14.9568 14.9568 16.2010 16.2010 16.3114 16.3114 k = 0.0000 0.0000 0.5514 ( 3246 PWs) bands (ev): -30.2482 -30.2482 -30.2217 -30.2217 -11.4443 -11.4443 -11.4193 -11.4193 -10.1206 -10.1206 -10.1189 -10.1189 -9.9701 -9.9701 -9.7363 -9.7363 -2.8568 -2.8568 -1.4125 -1.4125 -0.2139 -0.2139 -0.2019 -0.2019 3.4831 3.4831 4.3885 4.3885 4.6824 4.6824 4.6886 4.6886 5.0834 5.0834 5.4935 5.4935 7.8168 7.8168 9.3426 9.3426 9.4369 9.4369 10.2122 10.2122 10.2251 10.2251 10.2931 10.2931 10.3005 10.3005 14.5514 14.5514 14.6019 14.6019 15.1019 15.1019 16.1778 16.1778 16.2430 16.2430 k = 0.0000 0.0000 0.5682 ( 3246 PWs) bands (ev): -30.2474 -30.2474 -30.2209 -30.2209 -11.4469 -11.4469 -11.4255 -11.4255 -10.1263 -10.1263 -10.1245 -10.1245 -9.9664 -9.9664 -9.7342 -9.7342 -2.8311 -2.8311 -1.4030 -1.4030 -0.2263 -0.2263 -0.2161 -0.2161 3.5010 3.5010 4.4007 4.4007 4.6685 4.6685 4.6738 4.6738 5.0228 5.0228 5.5320 5.5320 7.7626 7.7626 9.3463 9.3463 9.4429 9.4429 10.1474 10.1474 10.2405 10.2405 10.2915 10.2915 10.2989 10.2989 14.5843 14.5843 14.6355 14.6355 15.2442 15.2442 16.1509 16.1509 16.1768 16.1768 k = 0.0000 0.0000 0.5849 ( 3242 PWs) bands (ev): -30.2467 -30.2467 -30.2202 -30.2202 -11.4493 -11.4493 -11.4313 -11.4313 -10.1314 -10.1314 -10.1296 -10.1296 -9.9630 -9.9630 -9.7323 -9.7323 -2.8070 -2.8070 -1.3940 -1.3940 -0.2379 -0.2379 -0.2292 -0.2292 3.5178 3.5178 4.4127 4.4127 4.6556 4.6556 4.6600 4.6600 4.9663 4.9663 5.5681 5.5681 7.7128 7.7128 9.3497 9.3497 9.4486 9.4486 10.0868 10.0868 10.2557 10.2557 10.2901 10.2901 10.2975 10.2975 14.6174 14.6174 14.6693 14.6693 15.3825 15.3825 16.1131 16.1131 16.1196 16.1196 k = 0.0000 0.0000 0.6016 ( 3238 PWs) bands (ev): -30.2460 -30.2460 -30.2195 -30.2195 -11.4516 -11.4516 -11.4366 -11.4366 -10.1361 -10.1361 -10.1343 -10.1343 -9.9599 -9.9599 -9.7305 -9.7305 -2.7847 -2.7847 -1.3857 -1.3857 -0.2485 -0.2485 -0.2414 -0.2414 3.5334 3.5334 4.4243 4.4243 4.6438 4.6438 4.6474 4.6474 4.9138 4.9138 5.6013 5.6013 7.6674 7.6674 9.3529 9.3529 9.4538 9.4538 10.0315 10.0315 10.2699 10.2699 10.2889 10.2889 10.2962 10.2962 14.6502 14.6502 14.7029 14.7029 15.5156 15.5156 16.0524 16.0524 16.0763 16.0763 k = 0.0000 0.0000 0.6183 ( 3238 PWs) bands (ev): -30.2454 -30.2454 -30.2189 -30.2189 -11.4537 -11.4537 -11.4415 -11.4415 -10.1403 -10.1403 -10.1384 -10.1384 -9.9570 -9.9570 -9.7289 -9.7289 -2.7645 -2.7645 -1.3781 -1.3781 -0.2581 -0.2581 -0.2524 -0.2524 3.5477 3.5477 4.4357 4.4357 4.6331 4.6331 4.6359 4.6359 4.8656 4.8656 5.6315 5.6315 7.6265 7.6265 9.3559 9.3559 9.4585 9.4585 9.9816 9.9816 10.2829 10.2829 10.2878 10.2878 10.2951 10.2951 14.6826 14.6826 14.7361 14.7361 15.6417 15.6417 15.9954 15.9954 16.0230 16.0230 k = 0.0000 0.0000 0.6350 ( 3246 PWs) bands (ev): -30.2448 -30.2448 -30.2184 -30.2184 -11.4556 -11.4556 -11.4460 -11.4460 -10.1440 -10.1440 -10.1421 -10.1421 -9.9544 -9.9544 -9.7275 -9.7275 -2.7463 -2.7463 -1.3714 -1.3714 -0.2667 -0.2667 -0.2622 -0.2622 3.5607 3.5607 4.4469 4.4469 4.6235 4.6235 4.6257 4.6257 4.8217 4.8217 5.6587 5.6587 7.5903 7.5903 9.3586 9.3586 9.4628 9.4628 9.9373 9.9373 10.2869 10.2869 10.2939 10.2939 10.2949 10.2949 14.7140 14.7140 14.7684 14.7684 15.7582 15.7582 15.9436 15.9436 15.9699 15.9699 k = 0.0000 0.0000 0.6517 ( 3238 PWs) bands (ev): -30.2443 -30.2443 -30.2179 -30.2179 -11.4573 -11.4573 -11.4499 -11.4499 -10.1472 -10.1472 -10.1452 -10.1452 -9.9522 -9.9522 -9.7262 -9.7262 -2.7303 -2.7303 -1.3654 -1.3654 -0.2743 -0.2743 -0.2708 -0.2708 3.5721 3.5721 4.4578 4.4578 4.6151 4.6151 4.6167 4.6167 4.7821 4.7821 5.6825 5.6825 7.5587 7.5587 9.3609 9.3609 9.4666 9.4666 9.8986 9.8986 10.2862 10.2862 10.2934 10.2934 10.3050 10.3050 14.7438 14.7438 14.7991 14.7991 15.8505 15.8505 15.9106 15.9106 15.9204 15.9204 k = 0.0000 0.0000 0.6684 ( 3246 PWs) bands (ev): -30.2439 -30.2439 -30.2175 -30.2175 -11.4588 -11.4588 -11.4532 -11.4532 -10.1499 -10.1499 -10.1479 -10.1479 -9.9503 -9.9503 -9.7252 -9.7252 -2.7166 -2.7166 -1.3603 -1.3603 -0.2807 -0.2807 -0.2781 -0.2781 3.5820 3.5820 4.4685 4.4685 4.6079 4.6079 4.6091 4.6091 4.7472 4.7472 5.7029 5.7029 7.5319 7.5319 9.3630 9.3630 9.4699 9.4699 9.8658 9.8658 10.2855 10.2855 10.2927 10.2927 10.3139 10.3139 14.7713 14.7713 14.8276 14.8276 15.8389 15.8389 15.8757 15.8757 15.9748 15.9748 k = 0.0000 0.0000 0.6851 ( 3246 PWs) bands (ev): -30.2436 -30.2436 -30.2172 -30.2172 -11.4600 -11.4600 -11.4560 -11.4560 -10.1522 -10.1522 -10.1501 -10.1501 -9.9487 -9.9487 -9.7243 -9.7243 -2.7052 -2.7052 -1.3560 -1.3560 -0.2860 -0.2860 -0.2842 -0.2842 3.5901 3.5901 4.4786 4.4786 4.6020 4.6020 4.6028 4.6028 4.7170 4.7170 5.7198 5.7198 7.5099 7.5099 9.3647 9.3647 9.4725 9.4725 9.8387 9.8387 10.2850 10.2850 10.2922 10.2922 10.3213 10.3213 14.7958 14.7958 14.8530 14.8530 15.8037 15.8037 15.8370 15.8370 16.0004 16.0004 k = 0.0000 0.0000 0.7018 ( 3250 PWs) bands (ev): -30.2433 -30.2433 -30.2170 -30.2170 -11.4610 -11.4610 -11.4582 -11.4582 -10.1539 -10.1539 -10.1518 -10.1518 -9.9474 -9.9474 -9.7236 -9.7236 -2.6963 -2.6963 -1.3527 -1.3527 -0.2902 -0.2902 -0.2889 -0.2889 3.5965 3.5965 4.4880 4.4880 4.5974 4.5974 4.5979 4.5979 4.6920 4.6920 5.7330 5.7330 7.4928 7.4928 9.3660 9.3660 9.4746 9.4746 9.8176 9.8176 10.2847 10.2847 10.2918 10.2918 10.3271 10.3271 14.8163 14.8163 14.8742 14.8742 15.7735 15.7735 15.8052 15.8052 15.9880 15.9880 k = 0.0000 0.0000 0.7186 ( 3246 PWs) bands (ev): -30.2431 -30.2431 -30.2168 -30.2168 -11.4617 -11.4617 -11.4597 -11.4597 -10.1551 -10.1551 -10.1530 -10.1530 -9.9465 -9.9465 -9.7231 -9.7231 -2.6899 -2.6899 -1.3503 -1.3503 -0.2932 -0.2932 -0.2923 -0.2923 3.6012 3.6012 4.4959 4.4959 4.5940 4.5940 4.5943 4.5943 4.6729 4.6729 5.7425 5.7425 7.4805 7.4805 9.3670 9.3670 9.4762 9.4762 9.8025 9.8025 10.2844 10.2844 10.2915 10.2915 10.3313 10.3313 14.8318 14.8318 14.8904 14.8904 15.7507 15.7507 15.7815 15.7815 15.9790 15.9790 k = 0.0000 0.0000 0.7353 ( 3246 PWs) bands (ev): -30.2430 -30.2430 -30.2167 -30.2167 -11.4621 -11.4621 -11.4607 -11.4607 -10.1558 -10.1558 -10.1537 -10.1537 -9.9460 -9.9460 -9.7228 -9.7228 -2.6860 -2.6860 -1.3489 -1.3489 -0.2949 -0.2949 -0.2944 -0.2944 3.6040 3.6040 4.5013 4.5013 4.5920 4.5920 4.5922 4.5922 4.6607 4.6607 5.7482 5.7482 7.4731 7.4731 9.3676 9.3676 9.4771 9.4771 9.7934 9.7934 10.2842 10.2842 10.2914 10.2914 10.3338 10.3338 14.8416 14.8416 14.9006 14.9006 15.7365 15.7365 15.7668 15.7668 15.9736 15.9736 k = 0.0000 0.0000 0.7520 ( 3230 PWs) bands (ev): -30.2429 -30.2429 -30.2166 -30.2166 -11.4622 -11.4622 -11.4610 -11.4610 -10.1561 -10.1561 -10.1539 -10.1539 -9.9458 -9.9458 -9.7227 -9.7227 -2.6847 -2.6847 -1.3484 -1.3484 -0.2955 -0.2955 -0.2950 -0.2950 3.6049 3.6049 4.5033 4.5033 4.5913 4.5913 4.5915 4.5915 4.6565 4.6565 5.7501 5.7501 7.4706 7.4706 9.3678 9.3678 9.4774 9.4774 9.7904 9.7904 10.2842 10.2842 10.2913 10.2913 10.3346 10.3346 14.8449 14.8449 14.9041 14.9041 15.7317 15.7317 15.7619 15.7619 15.9718 15.9718 k = 0.0000 0.0000 0.7520 ( 3230 PWs) bands (ev): -30.2429 -30.2429 -30.2166 -30.2166 -11.4622 -11.4622 -11.4610 -11.4610 -10.1561 -10.1561 -10.1539 -10.1539 -9.9458 -9.9458 -9.7227 -9.7227 -2.6847 -2.6847 -1.3484 -1.3484 -0.2955 -0.2955 -0.2950 -0.2950 3.6049 3.6049 4.5033 4.5033 4.5913 4.5913 4.5915 4.5915 4.6565 4.6565 5.7501 5.7501 7.4706 7.4706 9.3678 9.3678 9.4774 9.4774 9.7904 9.7904 10.2842 10.2842 10.2913 10.2913 10.3346 10.3346 14.8449 14.8449 14.9041 14.9041 15.7317 15.7317 15.7619 15.7619 15.9718 15.9718 k = 0.0000 0.0167 0.7520 ( 3238 PWs) bands (ev): -30.2429 -30.2429 -30.2166 -30.2166 -11.4622 -11.4622 -11.4610 -11.4610 -10.1561 -10.1561 -10.1539 -10.1539 -9.9457 -9.9457 -9.7229 -9.7229 -2.6846 -2.6846 -1.3526 -1.3526 -0.2944 -0.2944 -0.2907 -0.2907 3.5956 3.5956 4.4688 4.4688 4.6030 4.6030 4.6267 4.6267 4.6582 4.6582 5.7507 5.7507 7.4694 7.4694 9.3670 9.3670 9.4762 9.4762 9.7921 9.7921 10.2546 10.2546 10.2857 10.2857 10.3598 10.3598 14.8350 14.8350 14.8974 14.8974 15.7340 15.7340 15.7644 15.7644 15.9866 15.9866 k = 0.0000 0.0333 0.7520 ( 3250 PWs) bands (ev): -30.2429 -30.2429 -30.2167 -30.2167 -11.4622 -11.4622 -11.4609 -11.4609 -10.1562 -10.1562 -10.1540 -10.1540 -9.9453 -9.9453 -9.7234 -9.7234 -2.6840 -2.6840 -1.3650 -1.3650 -0.2919 -0.2919 -0.2773 -0.2773 3.5691 3.5691 4.4107 4.4107 4.6366 4.6366 4.6635 4.6635 4.6871 4.6871 5.7524 5.7524 7.4655 7.4655 9.3648 9.3648 9.4726 9.4726 9.7972 9.7972 10.1994 10.1994 10.2785 10.2785 10.3921 10.3921 14.7932 14.7932 14.8928 14.8928 15.7400 15.7400 15.7726 15.7726 16.0281 16.0281 k = 0.0000 0.0500 0.7520 ( 3254 PWs) bands (ev): -30.2428 -30.2428 -30.2168 -30.2168 -11.4621 -11.4621 -11.4608 -11.4608 -10.1563 -10.1563 -10.1541 -10.1541 -9.9446 -9.9446 -9.7242 -9.7242 -2.6829 -2.6829 -1.3847 -1.3847 -0.2876 -0.2876 -0.2557 -0.2557 3.5284 3.5284 4.3495 4.3495 4.6722 4.6722 4.6890 4.6890 4.7521 4.7521 5.7553 5.7553 7.4590 7.4590 9.3612 9.3612 9.4673 9.4673 9.8053 9.8053 10.1358 10.1358 10.2668 10.2668 10.4177 10.4177 14.7171 14.7171 14.8993 14.8993 15.7480 15.7480 15.7878 15.7878 16.0887 16.0887 k = 0.0000 0.0667 0.7520 ( 3248 PWs) bands (ev): -30.2426 -30.2426 -30.2169 -30.2169 -11.4619 -11.4619 -11.4607 -11.4607 -10.1564 -10.1564 -10.1542 -10.1542 -9.9436 -9.9436 -9.7254 -9.7254 -2.6815 -2.6815 -1.4110 -1.4110 -0.2816 -0.2816 -0.2270 -0.2270 3.4776 3.4776 4.2881 4.2881 4.6844 4.6844 4.7563 4.7563 4.8188 4.8188 5.7593 5.7593 7.4497 7.4497 9.3560 9.3560 9.4608 9.4608 9.8161 9.8161 10.0655 10.0655 10.2507 10.2507 10.4351 10.4351 14.6179 14.6179 14.9133 14.9133 15.7570 15.7570 15.8108 15.8108 16.1562 16.1562 k = 0.0000 0.0833 0.7520 ( 3244 PWs) bands (ev): -30.2425 -30.2425 -30.2171 -30.2171 -11.4618 -11.4618 -11.4605 -11.4605 -10.1565 -10.1565 -10.1543 -10.1543 -9.9424 -9.9424 -9.7269 -9.7269 -2.6796 -2.6796 -1.4426 -1.4426 -0.2739 -0.2739 -0.1924 -0.1924 3.4199 3.4199 4.2270 4.2270 4.7001 4.7001 4.8352 4.8352 4.8865 4.8865 5.7645 5.7645 7.4375 7.4375 9.3496 9.3496 9.4538 9.4538 9.8290 9.8290 9.9897 9.9897 10.2301 10.2301 10.4438 10.4438 14.5033 14.5033 14.9327 14.9327 15.7668 15.7668 15.8413 15.8413 16.2042 16.2042 k = 0.0000 0.1000 0.7520 ( 3244 PWs) bands (ev): -30.2423 -30.2423 -30.2173 -30.2173 -11.4616 -11.4616 -11.4603 -11.4603 -10.1567 -10.1567 -10.1545 -10.1545 -9.9409 -9.9409 -9.7287 -9.7287 -2.6773 -2.6773 -1.4786 -1.4786 -0.2646 -0.2646 -0.1532 -0.1532 3.3583 3.3583 4.1664 4.1664 4.7192 4.7192 4.9229 4.9229 4.9548 4.9548 5.7709 5.7709 7.4220 7.4220 9.3420 9.3420 9.4468 9.4468 9.8438 9.8438 9.9089 9.9089 10.2052 10.2052 10.4438 10.4438 14.3780 14.3780 14.9570 14.9570 15.7778 15.7778 15.8783 15.8783 16.2247 16.2247 k = 0.0000 0.1167 0.7520 ( 3250 PWs) bands (ev): -30.2421 -30.2421 -30.2175 -30.2175 -11.4614 -11.4614 -11.4601 -11.4601 -10.1570 -10.1570 -10.1547 -10.1547 -9.9391 -9.9391 -9.7308 -9.7308 -2.6745 -2.6745 -1.5179 -1.5179 -0.2536 -0.2536 -0.1105 -0.1105 3.2948 3.2948 4.1066 4.1066 4.7417 4.7417 5.0173 5.0173 5.0236 5.0236 5.7787 5.7787 7.4032 7.4032 9.3337 9.3337 9.4402 9.4402 9.8236 9.8236 9.8605 9.8605 10.1762 10.1762 10.4350 10.4350 14.2453 14.2453 14.9859 14.9859 15.7902 15.7902 15.9210 15.9210 16.2388 16.2388 k = 0.0000 0.1333 0.7520 ( 3252 PWs) bands (ev): -30.2418 -30.2418 -30.2177 -30.2177 -11.4611 -11.4611 -11.4598 -11.4598 -10.1572 -10.1572 -10.1550 -10.1550 -9.9371 -9.9371 -9.7333 -9.7333 -2.6713 -2.6713 -1.5595 -1.5595 -0.2410 -0.2410 -0.0654 -0.0654 3.2311 3.2311 4.0475 4.0475 4.7676 4.7676 5.0926 5.0926 5.1169 5.1169 5.7878 5.7878 7.3807 7.3807 9.3251 9.3251 9.4340 9.4340 9.7351 9.7351 9.8784 9.8784 10.1433 10.1433 10.4177 10.4177 14.1072 14.1072 15.0192 15.0192 15.8041 15.8041 15.9686 15.9686 16.2524 16.2524 k = 0.0000 0.1500 0.7520 ( 3248 PWs) bands (ev): -30.2415 -30.2415 -30.2180 -30.2180 -11.4608 -11.4608 -11.4596 -11.4596 -10.1575 -10.1575 -10.1552 -10.1552 -9.9348 -9.9348 -9.7360 -9.7360 -2.6675 -2.6675 -1.6030 -1.6030 -0.2268 -0.2268 -0.0189 -0.0189 3.1683 3.1683 3.9891 3.9891 4.7968 4.7968 5.1617 5.1617 5.2205 5.2205 5.7983 5.7983 7.3544 7.3544 9.3168 9.3168 9.4284 9.4284 9.6436 9.6436 9.8981 9.8981 10.1066 10.1066 10.3922 10.3922 13.9654 13.9654 15.0569 15.0569 15.8195 15.8195 16.0202 16.0202 16.2669 16.2669 k = 0.0000 0.1667 0.7520 ( 3252 PWs) bands (ev): -30.2412 -30.2412 -30.2184 -30.2184 -11.4605 -11.4605 -11.4592 -11.4592 -10.1578 -10.1578 -10.1555 -10.1555 -9.9322 -9.9322 -9.7391 -9.7391 -2.6631 -2.6631 -1.6475 -1.6475 -0.2111 -0.2111 0.0282 0.0282 3.1073 3.1073 3.9314 3.9314 4.8293 4.8293 5.2307 5.2307 5.3271 5.3271 5.8106 5.8106 7.3241 7.3241 9.3092 9.3092 9.4232 9.4232 9.5498 9.5498 9.9194 9.9194 10.0666 10.0666 10.3589 10.3589 13.8208 13.8208 15.0988 15.0988 15.8365 15.8365 16.0746 16.0746 16.2824 16.2824 k = 0.0000 0.1833 0.7520 ( 3250 PWs) bands (ev): -30.2408 -30.2408 -30.2187 -30.2187 -11.4602 -11.4602 -11.4589 -11.4589 -10.1581 -10.1581 -10.1558 -10.1558 -9.9294 -9.9294 -9.7424 -9.7424 -2.6581 -2.6581 -1.6926 -1.6926 -0.1938 -0.1938 0.0750 0.0750 3.0491 3.0491 3.8744 3.8744 4.8650 4.8650 5.2993 5.2993 5.4356 5.4356 5.8250 5.8250 7.2896 7.2896 9.3027 9.3027 9.4184 9.4184 9.4542 9.4542 9.9426 9.9426 10.0233 10.0233 10.3181 10.3181 13.6744 13.6744 15.1448 15.1448 15.8550 15.8550 16.1307 16.1307 16.2993 16.2993 k = 0.0000 0.2000 0.7520 ( 3254 PWs) bands (ev): -30.2404 -30.2404 -30.2191 -30.2191 -11.4598 -11.4598 -11.4586 -11.4586 -10.1584 -10.1584 -10.1562 -10.1562 -9.9264 -9.9264 -9.7460 -9.7460 -2.6525 -2.6525 -1.7380 -1.7380 -0.1751 -0.1751 0.1208 0.1208 2.9942 2.9942 3.8181 3.8181 4.9038 4.9038 5.3673 5.3673 5.5445 5.5445 5.8426 5.8426 7.2509 7.2509 9.2975 9.2975 9.3576 9.3576 9.4139 9.4139 9.9680 9.9680 9.9773 9.9773 10.2704 10.2704 13.5270 13.5270 15.1947 15.1947 15.8750 15.8750 16.1872 16.1872 16.3176 16.3176 k = 0.0000 0.2167 0.7520 ( 3262 PWs) bands (ev): -30.2400 -30.2400 -30.2195 -30.2195 -11.4595 -11.4595 -11.4582 -11.4582 -10.1587 -10.1587 -10.1565 -10.1565 -9.9231 -9.9231 -9.7498 -9.7498 -2.6463 -2.6463 -1.7832 -1.7832 -0.1550 -0.1550 0.1649 0.1649 2.9433 2.9433 3.7624 3.7624 4.9458 4.9458 5.4345 5.4345 5.6508 5.6508 5.8659 5.8659 7.2078 7.2078 9.2597 9.2597 9.2945 9.2945 9.4095 9.4095 9.9287 9.9287 9.9958 9.9958 10.2165 10.2165 13.3790 13.3790 15.2484 15.2484 15.8963 15.8963 16.2425 16.2425 16.3373 16.3373 k = 0.0000 0.2333 0.7520 ( 3262 PWs) bands (ev): -30.2395 -30.2395 -30.2200 -30.2200 -11.4591 -11.4591 -11.4579 -11.4579 -10.1591 -10.1591 -10.1569 -10.1569 -9.9196 -9.9196 -9.7539 -9.7539 -2.6393 -2.6393 -1.8280 -1.8280 -0.1335 -0.1335 0.2067 0.2067 2.8968 2.8968 3.7073 3.7073 4.9907 4.9907 5.5006 5.5006 5.7463 5.7463 5.9027 5.9027 7.1606 7.1606 9.1624 9.1624 9.2924 9.2924 9.4054 9.4054 9.8780 9.8780 10.0266 10.0266 10.1571 10.1571 13.2310 13.2310 15.3056 15.3056 15.9189 15.9189 16.2949 16.2949 16.3589 16.3589 k = 0.0000 0.2500 0.7520 ( 3266 PWs) bands (ev): -30.2391 -30.2391 -30.2205 -30.2205 -11.4587 -11.4587 -11.4575 -11.4575 -10.1594 -10.1594 -10.1572 -10.1572 -9.9159 -9.9159 -9.7582 -9.7582 -2.6316 -2.6316 -1.8723 -1.8723 -0.1107 -0.1107 0.2455 0.2455 2.8553 2.8553 3.6528 3.6528 5.0387 5.0387 5.5652 5.5652 5.8146 5.8146 5.9691 5.9691 7.1093 7.1093 9.0652 9.0652 9.2919 9.2919 9.4014 9.4014 9.8256 9.8256 10.0605 10.0605 10.0928 10.0928 13.0834 13.0834 15.3662 15.3662 15.9428 15.9428 16.3416 16.3416 16.3834 16.3834 k = 0.0000 0.2667 0.7520 ( 3270 PWs) bands (ev): -30.2386 -30.2386 -30.2210 -30.2210 -11.4584 -11.4584 -11.4572 -11.4572 -10.1597 -10.1597 -10.1576 -10.1576 -9.9119 -9.9119 -9.7628 -9.7628 -2.6231 -2.6231 -1.9158 -1.9158 -0.0868 -0.0868 0.2809 0.2809 2.8192 2.8192 3.5989 3.5989 5.0894 5.0894 5.6279 5.6279 5.8547 5.8547 6.0659 6.0659 7.0540 7.0540 8.9686 8.9686 9.2929 9.2929 9.3974 9.3974 9.7720 9.7720 10.0245 10.0245 10.0980 10.0980 12.9366 12.9366 15.4298 15.4298 15.9679 15.9679 16.3793 16.3793 16.4124 16.4124 k = 0.0000 0.2833 0.7520 ( 3268 PWs) bands (ev): -30.2380 -30.2380 -30.2215 -30.2215 -11.4580 -11.4580 -11.4568 -11.4568 -10.1600 -10.1600 -10.1580 -10.1580 -9.9078 -9.9078 -9.7675 -9.7675 -2.6138 -2.6138 -1.9584 -1.9584 -0.0616 -0.0616 0.3123 0.3123 2.7888 2.7888 3.5455 3.5455 5.1429 5.1429 5.6885 5.6885 5.8823 5.8823 6.1767 6.1767 6.9950 6.9950 8.8731 8.8731 9.2951 9.2951 9.3936 9.3936 9.7176 9.7176 9.9531 9.9531 10.1395 10.1395 12.7909 12.7909 15.4963 15.4963 15.9939 15.9939 16.4086 16.4086 16.4440 16.4440 k = 0.0000 0.3000 0.7520 ( 3264 PWs) bands (ev): -30.2375 -30.2375 -30.2220 -30.2220 -11.4576 -11.4576 -11.4565 -11.4565 -10.1603 -10.1603 -10.1584 -10.1584 -9.9034 -9.9034 -9.7724 -9.7724 -2.6036 -2.6036 -1.9999 -1.9999 -0.0355 -0.0355 0.3393 0.3393 2.7644 2.7644 3.4926 3.4926 5.1991 5.1991 5.7465 5.7465 5.9058 5.9058 6.2929 6.2929 6.9327 6.9327 8.7788 8.7788 9.2982 9.2982 9.3898 9.3898 9.6631 9.6631 9.8795 9.8795 10.1853 10.1853 12.6467 12.6467 15.5652 15.5652 16.0210 16.0210 16.4338 16.4338 16.4726 16.4726 k = 0.0000 0.3167 0.7520 ( 3268 PWs) bands (ev): -30.2369 -30.2369 -30.2226 -30.2226 -11.4572 -11.4572 -11.4562 -11.4562 -10.1606 -10.1606 -10.1587 -10.1587 -9.8989 -9.8989 -9.7775 -9.7775 -2.5925 -2.5925 -2.0403 -2.0403 -0.0084 -0.0084 0.3616 0.3616 2.7463 2.7463 3.4402 3.4402 5.2579 5.2579 5.8014 5.8014 5.9279 5.9279 6.4116 6.4116 6.8673 6.8673 8.6858 8.6858 9.3020 9.3020 9.3862 9.3862 9.6088 9.6088 9.8047 9.8047 10.2357 10.2357 12.5042 12.5042 15.6362 15.6362 16.0488 16.0488 16.4572 16.4572 16.4951 16.4951 k = 0.0000 0.3333 0.7520 ( 3264 PWs) bands (ev): -30.2363 -30.2363 -30.2232 -30.2232 -11.4569 -11.4569 -11.4559 -11.4559 -10.1609 -10.1609 -10.1591 -10.1591 -9.8941 -9.8941 -9.7827 -9.7827 -2.5803 -2.5803 -2.0795 -2.0795 0.0195 0.0195 0.3789 0.3789 2.7345 2.7345 3.3884 3.3884 5.3191 5.3191 5.8528 5.8528 5.9492 5.9492 6.5311 6.5311 6.7992 6.7992 8.5943 8.5943 9.3063 9.3063 9.3826 9.3826 9.5556 9.5556 9.7299 9.7299 10.2908 10.2908 12.3637 12.3637 15.7090 15.7090 16.0773 16.0773 16.4788 16.4788 16.5110 16.5110 k = 0.0000 0.3500 0.7520 ( 3252 PWs) bands (ev): -30.2357 -30.2357 -30.2238 -30.2238 -11.4565 -11.4565 -11.4556 -11.4556 -10.1611 -10.1611 -10.1595 -10.1595 -9.8892 -9.8892 -9.7881 -9.7881 -2.5672 -2.5672 -2.1174 -2.1174 0.0481 0.0481 0.3911 0.3911 2.7290 2.7290 3.3372 3.3372 5.3826 5.3826 5.9003 5.9003 5.9702 5.9702 6.6502 6.6502 6.7295 6.7295 8.5041 8.5041 9.3109 9.3109 9.3790 9.3790 9.5040 9.5040 9.6561 9.6561 10.3510 10.3510 12.2255 12.2255 15.7832 15.7832 16.1065 16.1065 16.4970 16.4970 16.5216 16.5216 k = 0.0000 0.3667 0.7520 ( 3248 PWs) bands (ev): -30.2351 -30.2351 -30.2244 -30.2244 -11.4562 -11.4562 -11.4554 -11.4554 -10.1613 -10.1613 -10.1598 -10.1598 -9.8842 -9.8842 -9.7936 -9.7936 -2.5530 -2.5530 -2.1540 -2.1540 0.0772 0.0772 0.3983 0.3983 2.7298 2.7298 3.2866 3.2866 5.4483 5.4483 5.9434 5.9434 5.9908 5.9908 6.6543 6.6543 6.7725 6.7725 8.4149 8.4149 9.3156 9.3156 9.3754 9.3754 9.4549 9.4549 9.5848 9.5848 10.4162 10.4162 12.0897 12.0897 15.8581 15.8581 16.1361 16.1361 16.5067 16.5067 16.5317 16.5317 k = 0.0000 0.3833 0.7520 ( 3240 PWs) bands (ev): -30.2344 -30.2344 -30.2250 -30.2250 -11.4559 -11.4559 -11.4551 -11.4551 -10.1615 -10.1615 -10.1601 -10.1601 -9.8790 -9.8790 -9.7992 -9.7992 -2.5377 -2.5377 -2.1893 -2.1893 0.1066 0.1066 0.4005 0.4005 2.7366 2.7366 3.2367 3.2367 5.5161 5.5161 5.9817 5.9817 6.0106 6.0106 6.5803 6.5803 6.8911 6.8911 8.3264 8.3264 9.3202 9.3202 9.3717 9.3717 9.4091 9.4091 9.5172 9.5172 10.4866 10.4866 11.9567 11.9567 15.9334 15.9334 16.1660 16.1660 16.5052 16.5052 16.5436 16.5436 k = 0.0000 0.4000 0.7520 ( 3248 PWs) bands (ev): -30.2338 -30.2338 -30.2257 -30.2257 -11.4556 -11.4556 -11.4550 -11.4550 -10.1616 -10.1616 -10.1604 -10.1604 -9.8737 -9.8737 -9.8049 -9.8049 -2.5213 -2.5213 -2.2231 -2.2231 0.1362 0.1362 0.3980 0.3980 2.7491 2.7491 3.1876 3.1876 5.5858 5.5858 6.0149 6.0149 6.0295 6.0295 6.5045 6.5045 7.0091 7.0091 8.2379 8.2379 9.3247 9.3247 9.3633 9.3633 9.3722 9.3722 9.4546 9.4546 10.5621 10.5621 11.8265 11.8265 16.0084 16.0084 16.1961 16.1961 16.4963 16.4963 16.5527 16.5527 k = 0.0000 0.4167 0.7520 ( 3252 PWs) bands (ev): -30.2331 -30.2331 -30.2263 -30.2263 -11.4554 -11.4554 -11.4548 -11.4548 -10.1617 -10.1617 -10.1607 -10.1607 -9.8683 -9.8683 -9.8106 -9.8106 -2.5037 -2.5037 -2.2556 -2.2556 0.1657 0.1657 0.3910 0.3910 2.7669 2.7669 3.1394 3.1394 5.6572 5.6572 6.0428 6.0428 6.0470 6.0470 6.4276 6.4276 7.1257 7.1257 8.1489 8.1489 9.3265 9.3265 9.3315 9.3315 9.3660 9.3660 9.3985 9.3985 10.6426 10.6426 11.6995 11.6995 16.0825 16.0825 16.2262 16.2262 16.4824 16.4824 16.5553 16.5553 k = 0.0000 0.4333 0.7520 ( 3248 PWs) bands (ev): -30.2325 -30.2325 -30.2270 -30.2270 -11.4551 -11.4551 -11.4547 -11.4547 -10.1618 -10.1618 -10.1610 -10.1610 -9.8627 -9.8627 -9.8164 -9.8164 -2.4849 -2.4849 -2.2866 -2.2866 0.1950 0.1950 0.3799 0.3799 2.7896 2.7896 3.0923 3.0923 5.7301 5.7301 6.0626 6.0626 6.0651 6.0651 6.3500 6.3500 7.2405 7.2405 8.0587 8.0587 9.2974 9.2974 9.3333 9.3333 9.3503 9.3503 9.3626 9.3626 10.7282 10.7282 11.5757 11.5757 16.1548 16.1548 16.2564 16.2564 16.4647 16.4647 16.5487 16.5487 k = 0.0000 0.4500 0.7520 ( 3240 PWs) bands (ev): -30.2318 -30.2318 -30.2277 -30.2277 -11.4550 -11.4550 -11.4546 -11.4546 -10.1618 -10.1618 -10.1612 -10.1612 -9.8571 -9.8571 -9.8223 -9.8223 -2.4648 -2.4648 -2.3162 -2.3162 0.2237 0.2237 0.3652 0.3652 2.8168 2.8168 3.0466 3.0466 5.8044 5.8044 6.0757 6.0757 6.0820 6.0820 6.2722 6.2722 7.3531 7.3531 7.9667 7.9667 9.2730 9.2730 9.3097 9.3097 9.3380 9.3380 9.3591 9.3591 10.8187 10.8187 11.4555 11.4555 16.2243 16.2243 16.2866 16.2866 16.4440 16.4440 16.5311 16.5311 k = 0.0000 0.4667 0.7520 ( 3228 PWs) bands (ev): -30.2311 -30.2311 -30.2283 -30.2283 -11.4548 -11.4548 -11.4546 -11.4546 -10.1618 -10.1618 -10.1614 -10.1614 -9.8514 -9.8514 -9.8281 -9.8281 -2.4434 -2.4434 -2.3444 -2.3444 0.2515 0.2515 0.3472 0.3472 2.8479 2.8479 3.0024 3.0024 5.8797 5.8797 6.0852 6.0852 6.0935 6.0935 6.1950 6.1950 7.4630 7.4630 7.8721 7.8721 9.2561 9.2561 9.2795 9.2795 9.3417 9.3417 9.3558 9.3558 10.9139 10.9139 11.3391 11.3391 16.2888 16.2888 16.3178 16.3178 16.4211 16.4211 16.5021 16.5021 k = 0.0000 0.4833 0.7520 ( 3228 PWs) bands (ev): -30.2304 -30.2304 -30.2290 -30.2290 -11.4547 -11.4547 -11.4546 -11.4546 -10.1617 -10.1617 -10.1615 -10.1615 -9.8456 -9.8456 -9.8340 -9.8340 -2.4207 -2.4207 -2.3712 -2.3712 0.2782 0.2782 0.3264 0.3264 2.8824 2.8824 2.9601 2.9601 5.9557 5.9557 6.0846 6.0846 6.1001 6.1001 6.1245 6.1245 7.5700 7.5700 7.7746 7.7746 9.2477 9.2477 9.2590 9.2590 9.3454 9.3454 9.3524 9.3524 11.0137 11.0137 11.2265 11.2265 16.3370 16.3370 16.3591 16.3591 16.3969 16.3969 16.4626 16.4626 k = 0.0000 0.5000 0.7520 ( 3220 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4546 -11.4546 -11.4546 -11.4546 -10.1616 -10.1616 -10.1616 -10.1616 -9.8398 -9.8398 -9.8398 -9.8398 -2.3966 -2.3966 -2.3966 -2.3966 0.3033 0.3033 0.3033 0.3033 2.9200 2.9200 2.9200 2.9200 6.0309 6.0309 6.0309 6.0309 6.1036 6.1036 6.1036 6.1036 7.6739 7.6739 7.6739 7.6739 9.2485 9.2485 9.2485 9.2485 9.3489 9.3489 9.3489 9.3489 11.1180 11.1180 11.1180 11.1180 16.3670 16.3670 16.3670 16.3670 16.4151 16.4151 16.4151 16.4151 k = 0.0000 0.5000 0.7520 ( 3220 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4546 -11.4546 -11.4546 -11.4546 -10.1616 -10.1616 -10.1616 -10.1616 -9.8398 -9.8398 -9.8398 -9.8398 -2.3966 -2.3966 -2.3966 -2.3966 0.3033 0.3033 0.3033 0.3033 2.9200 2.9200 2.9200 2.9200 6.0309 6.0309 6.0309 6.0309 6.1036 6.1036 6.1036 6.1036 7.6739 7.6739 7.6739 7.6739 9.2485 9.2485 9.2485 9.2485 9.3489 9.3489 9.3489 9.3489 11.1180 11.1180 11.1180 11.1180 16.3670 16.3670 16.3670 16.3670 16.4151 16.4151 16.4151 16.4151 k = 0.0167 0.5000 0.7520 ( 3224 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4546 -11.4546 -11.4546 -11.4546 -10.1617 -10.1617 -10.1617 -10.1617 -9.8397 -9.8397 -9.8397 -9.8397 -2.3970 -2.3970 -2.3970 -2.3970 0.3028 0.3028 0.3028 0.3028 2.9224 2.9224 2.9224 2.9224 6.0322 6.0322 6.0322 6.0322 6.1031 6.1031 6.1031 6.1031 7.6734 7.6734 7.6734 7.6734 9.2467 9.2467 9.2467 9.2467 9.3432 9.3432 9.3432 9.3432 11.1237 11.1237 11.1237 11.1237 16.3687 16.3687 16.3687 16.3687 16.4106 16.4106 16.4106 16.4106 k = 0.0333 0.5000 0.7520 ( 3224 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4546 -11.4546 -11.4546 -11.4546 -10.1619 -10.1619 -10.1619 -10.1619 -9.8394 -9.8394 -9.8394 -9.8394 -2.3980 -2.3980 -2.3980 -2.3980 0.3013 0.3013 0.3013 0.3013 2.9297 2.9297 2.9297 2.9297 6.0360 6.0360 6.0360 6.0360 6.1018 6.1018 6.1018 6.1018 7.6716 7.6716 7.6716 7.6716 9.2415 9.2415 9.2415 9.2415 9.3264 9.3264 9.3264 9.3264 11.1406 11.1406 11.1406 11.1406 16.3714 16.3714 16.3714 16.3714 16.3995 16.3995 16.3995 16.3995 k = 0.0500 0.5000 0.7520 ( 3232 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4547 -11.4547 -11.4547 -11.4547 -10.1623 -10.1623 -10.1623 -10.1623 -9.8390 -9.8390 -9.8390 -9.8390 -2.3996 -2.3996 -2.3996 -2.3996 0.2989 0.2989 0.2989 0.2989 2.9418 2.9418 2.9418 2.9418 6.0423 6.0423 6.0423 6.0423 6.0997 6.0997 6.0997 6.0997 7.6685 7.6685 7.6685 7.6685 9.2331 9.2331 9.2331 9.2331 9.2990 9.2990 9.2990 9.2990 11.1679 11.1679 11.1679 11.1679 16.3601 16.3601 16.3601 16.3601 16.3975 16.3975 16.3975 16.3975 k = 0.0667 0.5000 0.7520 ( 3232 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4547 -11.4547 -11.4547 -11.4547 -10.1628 -10.1628 -10.1628 -10.1628 -9.8384 -9.8384 -9.8384 -9.8384 -2.4019 -2.4019 -2.4019 -2.4019 0.2955 0.2955 0.2955 0.2955 2.9586 2.9586 2.9586 2.9586 6.0506 6.0506 6.0506 6.0506 6.0975 6.0975 6.0975 6.0975 7.6638 7.6638 7.6638 7.6638 9.2215 9.2215 9.2215 9.2215 9.2623 9.2623 9.2623 9.2623 11.2047 11.2047 11.2047 11.2047 16.3300 16.3300 16.3300 16.3300 16.4104 16.4104 16.4104 16.4104 k = 0.0833 0.5000 0.7520 ( 3244 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4548 -11.4548 -11.4548 -11.4548 -10.1634 -10.1634 -10.1634 -10.1634 -9.8376 -9.8376 -9.8376 -9.8376 -2.4049 -2.4049 -2.4049 -2.4049 0.2914 0.2914 0.2914 0.2914 2.9799 2.9799 2.9799 2.9799 6.0599 6.0599 6.0599 6.0599 6.0961 6.0961 6.0961 6.0961 7.6573 7.6573 7.6573 7.6573 9.2063 9.2063 9.2063 9.2063 9.2184 9.2184 9.2184 9.2184 11.2497 11.2497 11.2497 11.2497 16.2908 16.2908 16.2908 16.2908 16.4296 16.4296 16.4296 16.4296 k = 0.1000 0.5000 0.7520 ( 3252 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4549 -11.4549 -11.4549 -11.4549 -10.1642 -10.1642 -10.1642 -10.1642 -9.8366 -9.8366 -9.8366 -9.8366 -2.4084 -2.4084 -2.4084 -2.4084 0.2865 0.2865 0.2865 0.2865 3.0055 3.0055 3.0055 3.0055 6.0672 6.0672 6.0672 6.0672 6.0989 6.0989 6.0989 6.0989 7.6485 7.6485 7.6485 7.6485 9.1636 9.1636 9.1636 9.1636 9.1926 9.1926 9.1926 9.1926 11.3015 11.3015 11.3015 11.3015 16.2460 16.2460 16.2460 16.2460 16.4532 16.4532 16.4532 16.4532 k = 0.1167 0.5000 0.7520 ( 3256 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4549 -11.4549 -11.4549 -11.4549 -10.1650 -10.1650 -10.1650 -10.1650 -9.8355 -9.8355 -9.8355 -9.8355 -2.4124 -2.4124 -2.4124 -2.4124 0.2809 0.2809 0.2809 0.2809 3.0352 3.0352 3.0352 3.0352 6.0686 6.0686 6.0686 6.0686 6.1096 6.1096 6.1096 6.1096 7.6370 7.6370 7.6370 7.6370 9.1057 9.1057 9.1057 9.1057 9.1747 9.1747 9.1747 9.1747 11.3589 11.3589 11.3589 11.3589 16.1976 16.1976 16.1976 16.1976 16.4801 16.4801 16.4801 16.4801 k = 0.1333 0.5000 0.7520 ( 3260 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4550 -11.4550 -11.4550 -11.4550 -10.1660 -10.1660 -10.1660 -10.1660 -9.8343 -9.8343 -9.8343 -9.8343 -2.4170 -2.4170 -2.4170 -2.4170 0.2748 0.2748 0.2748 0.2748 3.0687 3.0687 3.0687 3.0687 6.0658 6.0658 6.0658 6.0658 6.1271 6.1271 6.1271 6.1271 7.6223 7.6223 7.6223 7.6223 9.0426 9.0426 9.0426 9.0426 9.1562 9.1562 9.1562 9.1562 11.4206 11.4206 11.4206 11.4206 16.1473 16.1473 16.1473 16.1473 16.5099 16.5099 16.5099 16.5099 k = 0.1500 0.5000 0.7520 ( 3252 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4551 -11.4551 -11.4551 -11.4551 -10.1670 -10.1670 -10.1670 -10.1670 -9.8330 -9.8330 -9.8330 -9.8330 -2.4219 -2.4219 -2.4219 -2.4219 0.2683 0.2683 0.2683 0.2683 3.1058 3.1058 3.1058 3.1058 6.0613 6.0613 6.0613 6.0613 6.1488 6.1488 6.1488 6.1488 7.6040 7.6040 7.6040 7.6040 8.9755 8.9755 8.9755 8.9755 9.1375 9.1375 9.1375 9.1375 11.4856 11.4856 11.4856 11.4856 16.0967 16.0967 16.0967 16.0967 16.5418 16.5418 16.5418 16.5418 k = 0.1667 0.5000 0.7520 ( 3248 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4552 -11.4552 -11.4552 -11.4552 -10.1682 -10.1682 -10.1682 -10.1682 -9.8316 -9.8316 -9.8316 -9.8316 -2.4273 -2.4273 -2.4273 -2.4273 0.2613 0.2613 0.2613 0.2613 3.1460 3.1460 3.1460 3.1460 6.0564 6.0564 6.0564 6.0564 6.1737 6.1737 6.1737 6.1737 7.5817 7.5817 7.5817 7.5817 8.9053 8.9053 8.9053 8.9053 9.1191 9.1191 9.1191 9.1191 11.5528 11.5528 11.5528 11.5528 16.0470 16.0470 16.0470 16.0470 16.5750 16.5750 16.5750 16.5750 k = 0.1833 0.5000 0.7520 ( 3244 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4554 -11.4554 -11.4554 -11.4554 -10.1693 -10.1693 -10.1693 -10.1693 -9.8301 -9.8301 -9.8301 -9.8301 -2.4329 -2.4329 -2.4329 -2.4329 0.2542 0.2542 0.2542 0.2542 3.1891 3.1891 3.1891 3.1891 6.0516 6.0516 6.0516 6.0516 6.2013 6.2013 6.2013 6.2013 7.5548 7.5548 7.5548 7.5548 8.8326 8.8326 8.8326 8.8326 9.1017 9.1017 9.1017 9.1017 11.6213 11.6213 11.6213 11.6213 15.9994 15.9994 15.9994 15.9994 16.6086 16.6086 16.6086 16.6086 k = 0.2000 0.5000 0.7520 ( 3244 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4555 -11.4555 -11.4555 -11.4555 -10.1705 -10.1705 -10.1705 -10.1705 -9.8285 -9.8285 -9.8285 -9.8285 -2.4389 -2.4389 -2.4389 -2.4389 0.2469 0.2469 0.2469 0.2469 3.2345 3.2345 3.2345 3.2345 6.0475 6.0475 6.0475 6.0475 6.2316 6.2316 6.2316 6.2316 7.5232 7.5232 7.5232 7.5232 8.7581 8.7581 8.7581 8.7581 9.0858 9.0858 9.0858 9.0858 11.6903 11.6903 11.6903 11.6903 15.9548 15.9548 15.9548 15.9548 16.6416 16.6416 16.6416 16.6416 k = 0.2167 0.5000 0.7520 ( 3244 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4556 -11.4556 -11.4556 -11.4556 -10.1718 -10.1718 -10.1718 -10.1718 -9.8269 -9.8269 -9.8269 -9.8269 -2.4450 -2.4450 -2.4450 -2.4450 0.2395 0.2395 0.2395 0.2395 3.2820 3.2820 3.2820 3.2820 6.0443 6.0443 6.0443 6.0443 6.2642 6.2642 6.2642 6.2642 7.4867 7.4867 7.4867 7.4867 8.6823 8.6823 8.6823 8.6823 9.0717 9.0717 9.0717 9.0717 11.7591 11.7591 11.7591 11.7591 15.9140 15.9140 15.9140 15.9140 16.6728 16.6728 16.6728 16.6728 k = 0.2333 0.5000 0.7520 ( 3248 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4558 -11.4558 -11.4558 -11.4558 -10.1731 -10.1731 -10.1731 -10.1731 -9.8253 -9.8253 -9.8253 -9.8253 -2.4512 -2.4512 -2.4512 -2.4512 0.2322 0.2322 0.2322 0.2322 3.3310 3.3310 3.3310 3.3310 6.0424 6.0424 6.0424 6.0424 6.2992 6.2992 6.2992 6.2992 7.4451 7.4451 7.4451 7.4451 8.6057 8.6057 8.6057 8.6057 9.0598 9.0598 9.0598 9.0598 11.8269 11.8269 11.8269 11.8269 15.8777 15.8777 15.8777 15.8777 16.7012 16.7012 16.7012 16.7012 k = 0.2500 0.5000 0.7520 ( 3240 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4559 -11.4559 -11.4559 -11.4559 -10.1743 -10.1743 -10.1743 -10.1743 -9.8237 -9.8237 -9.8237 -9.8237 -2.4575 -2.4575 -2.4575 -2.4575 0.2250 0.2250 0.2250 0.2250 3.3812 3.3812 3.3812 3.3812 6.0422 6.0422 6.0422 6.0422 6.3363 6.3363 6.3363 6.3363 7.3986 7.3986 7.3986 7.3986 8.5285 8.5285 8.5285 8.5285 9.0502 9.0502 9.0502 9.0502 11.8933 11.8933 11.8933 11.8933 15.8467 15.8467 15.8467 15.8467 16.7255 16.7255 16.7255 16.7255 k = 0.2667 0.5000 0.7520 ( 3232 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4560 -11.4560 -11.4560 -11.4560 -10.1756 -10.1756 -10.1756 -10.1756 -9.8221 -9.8221 -9.8221 -9.8221 -2.4638 -2.4638 -2.4638 -2.4638 0.2180 0.2180 0.2180 0.2180 3.4319 3.4319 3.4319 3.4319 6.0439 6.0439 6.0439 6.0439 6.3754 6.3754 6.3754 6.3754 7.3474 7.3474 7.3474 7.3474 8.4513 8.4513 8.4513 8.4513 9.0429 9.0429 9.0429 9.0429 11.9575 11.9575 11.9575 11.9575 15.8212 15.8212 15.8212 15.8212 16.7448 16.7448 16.7448 16.7448 k = 0.2833 0.5000 0.7520 ( 3236 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4561 -11.4561 -11.4561 -11.4561 -10.1768 -10.1768 -10.1768 -10.1768 -9.8205 -9.8205 -9.8205 -9.8205 -2.4700 -2.4700 -2.4700 -2.4700 0.2113 0.2113 0.2113 0.2113 3.4828 3.4828 3.4828 3.4828 6.0478 6.0478 6.0478 6.0478 6.4164 6.4164 6.4164 6.4164 7.2919 7.2919 7.2919 7.2919 8.3743 8.3743 8.3743 8.3743 9.0378 9.0378 9.0378 9.0378 12.0191 12.0191 12.0191 12.0191 15.8018 15.8018 15.8018 15.8018 16.7585 16.7585 16.7585 16.7585 k = 0.3000 0.5000 0.7520 ( 3240 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4563 -11.4563 -11.4563 -11.4563 -10.1780 -10.1780 -10.1780 -10.1780 -9.8189 -9.8189 -9.8189 -9.8189 -2.4760 -2.4760 -2.4760 -2.4760 0.2049 0.2049 0.2049 0.2049 3.5331 3.5331 3.5331 3.5331 6.0544 6.0544 6.0544 6.0544 6.4591 6.4591 6.4591 6.4591 7.2325 7.2325 7.2325 7.2325 8.2979 8.2979 8.2979 8.2979 9.0348 9.0348 9.0348 9.0348 12.0776 12.0776 12.0776 12.0776 15.7887 15.7887 15.7887 15.7887 16.7664 16.7664 16.7664 16.7664 k = 0.3167 0.5000 0.7520 ( 3244 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4564 -11.4564 -11.4564 -11.4564 -10.1791 -10.1791 -10.1791 -10.1791 -9.8175 -9.8175 -9.8175 -9.8175 -2.4819 -2.4819 -2.4819 -2.4819 0.1988 0.1988 0.1988 0.1988 3.5824 3.5824 3.5824 3.5824 6.0639 6.0639 6.0639 6.0639 6.5031 6.5031 6.5031 6.5031 7.1698 7.1698 7.1698 7.1698 8.2224 8.2224 8.2224 8.2224 9.0335 9.0335 9.0335 9.0335 12.1325 12.1325 12.1325 12.1325 15.7820 15.7820 15.7820 15.7820 16.7690 16.7690 16.7690 16.7690 k = 0.3333 0.5000 0.7520 ( 3252 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4565 -11.4565 -11.4565 -11.4565 -10.1802 -10.1802 -10.1802 -10.1802 -9.8161 -9.8161 -9.8161 -9.8161 -2.4874 -2.4874 -2.4874 -2.4874 0.1932 0.1932 0.1932 0.1932 3.6302 3.6302 3.6302 3.6302 6.0766 6.0766 6.0766 6.0766 6.5484 6.5484 6.5484 6.5484 7.1043 7.1043 7.1043 7.1043 8.1483 8.1483 8.1483 8.1483 9.0338 9.0338 9.0338 9.0338 12.1834 12.1834 12.1834 12.1834 15.7818 15.7818 15.7818 15.7818 16.7670 16.7670 16.7670 16.7670 k = 0.3500 0.5000 0.7520 ( 3252 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4566 -11.4566 -11.4566 -11.4566 -10.1812 -10.1812 -10.1812 -10.1812 -9.8148 -9.8148 -9.8148 -9.8148 -2.4926 -2.4926 -2.4926 -2.4926 0.1880 0.1880 0.1880 0.1880 3.6757 3.6757 3.6757 3.6757 6.0929 6.0929 6.0929 6.0929 6.5944 6.5944 6.5944 6.5944 7.0367 7.0367 7.0367 7.0367 8.0759 8.0759 8.0759 8.0759 9.0352 9.0352 9.0352 9.0352 12.2302 12.2302 12.2302 12.2302 15.7878 15.7878 15.7878 15.7878 16.7615 16.7615 16.7615 16.7615 k = 0.3667 0.5000 0.7520 ( 3248 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4567 -11.4567 -11.4567 -11.4567 -10.1821 -10.1821 -10.1821 -10.1821 -9.8136 -9.8136 -9.8136 -9.8136 -2.4974 -2.4974 -2.4974 -2.4974 0.1833 0.1833 0.1833 0.1833 3.7185 3.7185 3.7185 3.7185 6.1129 6.1129 6.1129 6.1129 6.6408 6.6408 6.6408 6.6408 6.9678 6.9678 6.9678 6.9678 8.0058 8.0058 8.0058 8.0058 9.0375 9.0375 9.0375 9.0375 12.2724 12.2724 12.2724 12.2724 15.7998 15.7998 15.7998 15.7998 16.7536 16.7536 16.7536 16.7536 k = 0.3833 0.5000 0.7520 ( 3240 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4568 -11.4568 -11.4568 -11.4568 -10.1829 -10.1829 -10.1829 -10.1829 -9.8125 -9.8125 -9.8125 -9.8125 -2.5018 -2.5018 -2.5018 -2.5018 0.1791 0.1791 0.1791 0.1791 3.7579 3.7579 3.7579 3.7579 6.1370 6.1370 6.1370 6.1370 6.6869 6.6869 6.6869 6.6869 6.8982 6.8982 6.8982 6.8982 7.9385 7.9385 7.9385 7.9385 9.0404 9.0404 9.0404 9.0404 12.3100 12.3100 12.3100 12.3100 15.8170 15.8170 15.8170 15.8170 16.7442 16.7442 16.7442 16.7442 k = 0.4000 0.5000 0.7520 ( 3240 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4569 -11.4569 -11.4569 -11.4569 -10.1836 -10.1836 -10.1836 -10.1836 -9.8115 -9.8115 -9.8115 -9.8115 -2.5057 -2.5057 -2.5057 -2.5057 0.1754 0.1754 0.1754 0.1754 3.7933 3.7933 3.7933 3.7933 6.1652 6.1652 6.1652 6.1652 6.7316 6.7316 6.7316 6.7316 6.8289 6.8289 6.8289 6.8289 7.8751 7.8751 7.8751 7.8751 9.0435 9.0435 9.0435 9.0435 12.3426 12.3426 12.3426 12.3426 15.8385 15.8385 15.8385 15.8385 16.7344 16.7344 16.7344 16.7344 k = 0.4167 0.5000 0.7520 ( 3236 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4570 -11.4570 -11.4570 -11.4570 -10.1843 -10.1843 -10.1843 -10.1843 -9.8107 -9.8107 -9.8107 -9.8107 -2.5090 -2.5090 -2.5090 -2.5090 0.1723 0.1723 0.1723 0.1723 3.8244 3.8244 3.8244 3.8244 6.1977 6.1977 6.1977 6.1977 6.7545 6.7545 6.7545 6.7545 6.7802 6.7802 6.7802 6.7802 7.8164 7.8164 7.8164 7.8164 9.0466 9.0466 9.0466 9.0466 12.3704 12.3704 12.3704 12.3704 15.8631 15.8631 15.8631 15.8631 16.7250 16.7250 16.7250 16.7250 k = 0.4333 0.5000 0.7520 ( 3240 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4571 -11.4571 -11.4571 -11.4571 -10.1848 -10.1848 -10.1848 -10.1848 -9.8100 -9.8100 -9.8100 -9.8100 -2.5118 -2.5118 -2.5118 -2.5118 0.1697 0.1697 0.1697 0.1697 3.8504 3.8504 3.8504 3.8504 6.2343 6.2343 6.2343 6.2343 6.6905 6.6905 6.6905 6.6905 6.8163 6.8163 6.8163 6.8163 7.7639 7.7639 7.7639 7.7639 9.0494 9.0494 9.0494 9.0494 12.3931 12.3931 12.3931 12.3931 15.8888 15.8888 15.8888 15.8888 16.7164 16.7164 16.7164 16.7164 k = 0.4500 0.5000 0.7520 ( 3236 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4571 -11.4571 -11.4571 -11.4571 -10.1852 -10.1852 -10.1852 -10.1852 -9.8094 -9.8094 -9.8094 -9.8094 -2.5140 -2.5140 -2.5140 -2.5140 0.1676 0.1676 0.1676 0.1676 3.8712 3.8712 3.8712 3.8712 6.2749 6.2749 6.2749 6.2749 6.6255 6.6255 6.6255 6.6255 6.8505 6.8505 6.8505 6.8505 7.7194 7.7194 7.7194 7.7194 9.0519 9.0519 9.0519 9.0519 12.4107 12.4107 12.4107 12.4107 15.9135 15.9135 15.9135 15.9135 16.7092 16.7092 16.7092 16.7092 k = 0.4667 0.5000 0.7520 ( 3232 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4571 -11.4571 -11.4571 -11.4571 -10.1855 -10.1855 -10.1855 -10.1855 -9.8090 -9.8090 -9.8090 -9.8090 -2.5156 -2.5156 -2.5156 -2.5156 0.1662 0.1662 0.1662 0.1662 3.8862 3.8862 3.8862 3.8862 6.3183 6.3183 6.3183 6.3183 6.5641 6.5641 6.5641 6.5641 6.8776 6.8776 6.8776 6.8776 7.6851 7.6851 7.6851 7.6851 9.0537 9.0537 9.0537 9.0537 12.4233 12.4233 12.4233 12.4233 15.9344 15.9344 15.9344 15.9344 16.7039 16.7039 16.7039 16.7039 k = 0.4833 0.5000 0.7520 ( 3216 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4572 -11.4572 -11.4572 -11.4572 -10.1857 -10.1857 -10.1857 -10.1857 -9.8088 -9.8088 -9.8088 -9.8088 -2.5166 -2.5166 -2.5166 -2.5166 0.1653 0.1653 0.1653 0.1653 3.8954 3.8954 3.8954 3.8954 6.3612 6.3612 6.3612 6.3612 6.5103 6.5103 6.5103 6.5103 6.8951 6.8951 6.8951 6.8951 7.6633 7.6633 7.6633 7.6633 9.0548 9.0548 9.0548 9.0548 12.4309 12.4309 12.4309 12.4309 15.9485 15.9485 15.9485 15.9485 16.7005 16.7005 16.7005 16.7005 k = 0.5000 0.5000 0.7520 ( 3208 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4572 -11.4572 -11.4572 -11.4572 -10.1857 -10.1857 -10.1857 -10.1857 -9.8087 -9.8087 -9.8087 -9.8087 -2.5169 -2.5169 -2.5169 -2.5169 0.1651 0.1651 0.1651 0.1651 3.8984 3.8984 3.8984 3.8984 6.3855 6.3855 6.3855 6.3855 6.4824 6.4824 6.4824 6.4824 6.9012 6.9012 6.9012 6.9012 7.6558 7.6558 7.6558 7.6558 9.0552 9.0552 9.0552 9.0552 12.4334 12.4334 12.4334 12.4334 15.9535 15.9535 15.9535 15.9535 16.6994 16.6994 16.6994 16.6994 k = 0.5000 0.5000 0.7520 ( 3208 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4572 -11.4572 -11.4572 -11.4572 -10.1857 -10.1857 -10.1857 -10.1857 -9.8087 -9.8087 -9.8087 -9.8087 -2.5169 -2.5169 -2.5169 -2.5169 0.1651 0.1651 0.1651 0.1651 3.8984 3.8984 3.8984 3.8984 6.3855 6.3855 6.3855 6.3855 6.4824 6.4824 6.4824 6.4824 6.9012 6.9012 6.9012 6.9012 7.6558 7.6558 7.6558 7.6558 9.0552 9.0552 9.0552 9.0552 12.4334 12.4334 12.4334 12.4334 15.9535 15.9535 15.9535 15.9535 16.6994 16.6994 16.6994 16.6994 k = 0.4881 0.4881 0.7520 ( 3216 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4572 -11.4572 -11.4572 -11.4572 -10.1857 -10.1857 -10.1857 -10.1857 -9.8090 -9.8090 -9.8087 -9.8087 -2.5172 -2.5172 -2.5160 -2.5160 0.1644 0.1644 0.1663 0.1663 3.8917 3.8917 3.8989 3.8989 6.3379 6.3379 6.3932 6.3932 6.4805 6.4805 6.5316 6.5316 6.8883 6.8883 6.9018 6.9018 7.6579 7.6579 7.6690 7.6690 9.0510 9.0510 9.0587 9.0587 12.4265 12.4265 12.4352 12.4352 15.9353 15.9353 15.9616 15.9616 16.6987 16.6987 16.7024 16.7024 k = 0.4762 0.4762 0.7520 ( 3236 PWs) bands (ev): -30.2297 -30.2297 -30.2295 -30.2295 -11.4572 -11.4572 -11.4571 -11.4571 -10.1855 -10.1855 -10.1855 -10.1855 -9.8096 -9.8096 -9.8085 -9.8085 -2.5180 -2.5180 -2.5132 -2.5132 0.1624 0.1624 0.1700 0.1700 3.8718 3.8718 3.9004 3.9004 6.2626 6.2626 6.4162 6.4162 6.4747 6.4747 6.6118 6.6118 6.8521 6.8521 6.9035 6.9035 7.6641 7.6641 7.7059 7.7059 9.0384 9.0384 9.0689 9.0689 12.4061 12.4061 12.4405 12.4405 15.8853 15.8853 15.9859 15.9859 16.6966 16.6966 16.7112 16.7112 k = 0.4643 0.4643 0.7520 ( 3240 PWs) bands (ev): -30.2298 -30.2298 -30.2295 -30.2295 -11.4571 -11.4571 -11.4571 -11.4571 -10.1852 -10.1852 -10.1852 -10.1852 -9.8108 -9.8108 -9.8081 -9.8081 -2.5194 -2.5194 -2.5086 -2.5086 0.1591 0.1591 0.1762 0.1762 3.8396 3.8396 3.9029 3.9029 6.1851 6.1851 6.4535 6.4535 6.4653 6.4653 6.6974 6.6974 6.7982 6.7982 6.9063 6.9063 7.6745 7.6745 7.7612 7.7612 9.0176 9.0176 9.0858 9.0858 12.3726 12.3726 12.4494 12.4494 15.8126 15.8126 16.0255 16.0255 16.6930 16.6930 16.7255 16.7255 k = 0.4524 0.4524 0.7520 ( 3244 PWs) bands (ev): -30.2299 -30.2299 -30.2293 -30.2293 -11.4571 -11.4571 -11.4570 -11.4570 -10.1848 -10.1848 -10.1848 -10.1848 -9.8124 -9.8124 -9.8076 -9.8076 -2.5213 -2.5213 -2.5020 -2.5020 0.1546 0.1546 0.1847 0.1847 3.7963 3.7963 3.9064 3.9064 6.1082 6.1082 6.4523 6.4523 6.5036 6.5036 6.7322 6.7322 6.7856 6.7856 6.9104 6.9104 7.6890 7.6890 7.8290 7.8290 8.9889 8.9889 9.1091 9.1091 12.3273 12.3273 12.4618 12.4618 15.7261 15.7261 16.0791 16.0791 16.6877 16.6877 16.7437 16.7437 k = 0.4405 0.4405 0.7520 ( 3240 PWs) bands (ev): -30.2301 -30.2301 -30.2292 -30.2292 -11.4571 -11.4571 -11.4569 -11.4569 -10.1843 -10.1843 -10.1842 -10.1842 -9.8144 -9.8144 -9.8070 -9.8070 -2.5237 -2.5237 -2.4937 -2.4937 0.1488 0.1488 0.1955 0.1955 3.7436 3.7436 3.9109 3.9109 6.0327 6.0327 6.4362 6.4362 6.5645 6.5645 6.6588 6.6588 6.8749 6.8749 6.9163 6.9163 7.7076 7.7076 7.9050 7.9050 8.9529 8.9529 9.1384 9.1384 12.2711 12.2711 12.4777 12.4777 15.6319 15.6319 16.1452 16.1452 16.6805 16.6805 16.7562 16.7562 k = 0.4286 0.4286 0.7520 ( 3246 PWs) bands (ev): -30.2303 -30.2303 -30.2290 -30.2290 -11.4571 -11.4571 -11.4568 -11.4568 -10.1836 -10.1836 -10.1836 -10.1836 -9.8168 -9.8168 -9.8062 -9.8062 -2.5266 -2.5266 -2.4835 -2.4835 0.1418 0.1418 0.2084 0.2084 3.6831 3.6831 3.9163 3.9163 5.9587 5.9587 6.4172 6.4172 6.5776 6.5776 6.6375 6.6375 6.9198 6.9198 6.9695 6.9695 7.7301 7.7301 7.9863 7.9863 8.9101 8.9101 9.1733 9.1733 12.2056 12.2056 12.4971 12.4971 15.5341 15.5341 16.2216 16.2216 16.6713 16.6713 16.7652 16.7652 k = 0.4167 0.4167 0.7520 ( 3256 PWs) bands (ev): -30.2305 -30.2305 -30.2288 -30.2288 -11.4570 -11.4570 -11.4567 -11.4567 -10.1829 -10.1829 -10.1828 -10.1828 -9.8197 -9.8197 -9.8053 -9.8053 -2.5300 -2.5300 -2.4714 -2.4714 0.1336 0.1336 0.2232 0.2232 3.6164 3.6164 3.9226 3.9226 5.8863 5.8863 6.3957 6.3957 6.4968 6.4968 6.7144 6.7144 6.9276 6.9276 7.0622 7.0622 7.7565 7.7565 8.0706 8.0706 8.8615 8.8615 9.2135 9.2135 12.1320 12.1320 12.5201 12.5201 15.4354 15.4354 16.3059 16.3059 16.6597 16.6597 16.7751 16.7751 k = 0.4048 0.4048 0.7520 ( 3254 PWs) bands (ev): -30.2308 -30.2308 -30.2285 -30.2285 -11.4570 -11.4570 -11.4566 -11.4566 -10.1821 -10.1821 -10.1820 -10.1820 -9.8229 -9.8229 -9.8042 -9.8042 -2.5338 -2.5338 -2.4575 -2.4575 0.1243 0.1243 0.2398 0.2398 3.5452 3.5452 3.9298 3.9298 5.8157 5.8157 6.3721 6.3721 6.4135 6.4135 6.7973 6.7973 6.9359 6.9359 7.1570 7.1570 7.7868 7.7868 8.1567 8.1567 8.8080 8.8080 9.2583 9.2583 12.0517 12.0517 12.5465 12.5465 15.3375 15.3375 16.3950 16.3950 16.6456 16.6456 16.7863 16.7863 k = 0.3929 0.3929 0.7520 ( 3250 PWs) bands (ev): -30.2311 -30.2311 -30.2282 -30.2282 -11.4570 -11.4570 -11.4565 -11.4565 -10.1812 -10.1812 -10.1810 -10.1810 -9.8264 -9.8264 -9.8030 -9.8030 -2.5380 -2.5380 -2.4418 -2.4418 0.1139 0.1139 0.2577 0.2577 3.4708 3.4708 3.9378 3.9378 5.7468 5.7468 6.3293 6.3293 6.3467 6.3467 6.8833 6.8833 6.9452 6.9452 7.2533 7.2533 7.8208 7.8208 8.2434 8.2434 8.7511 8.7511 9.3072 9.3072 11.9659 11.9659 12.5764 12.5764 15.2419 15.2419 16.4842 16.4842 16.6289 16.6289 16.7988 16.7988 k = 0.3810 0.3810 0.7520 ( 3242 PWs) bands (ev): -30.2314 -30.2314 -30.2279 -30.2279 -11.4569 -11.4569 -11.4564 -11.4564 -10.1802 -10.1802 -10.1800 -10.1800 -9.8303 -9.8303 -9.8015 -9.8015 -2.5425 -2.5425 -2.4243 -2.4243 0.1025 0.1025 0.2769 0.2769 3.3947 3.3947 3.9467 3.9467 5.6797 5.6797 6.2451 6.2451 6.3199 6.3199 6.9554 6.9554 6.9697 6.9697 7.3508 7.3508 7.8583 7.8583 8.3299 8.3299 8.6925 8.6925 9.3598 9.3598 11.8757 11.8757 12.6098 12.6098 15.1494 15.1494 16.5664 16.5664 16.6097 16.6097 16.8123 16.8123 k = 0.3690 0.3690 0.7520 ( 3238 PWs) bands (ev): -30.2317 -30.2317 -30.2276 -30.2276 -11.4569 -11.4569 -11.4563 -11.4563 -10.1791 -10.1791 -10.1789 -10.1789 -9.8345 -9.8345 -9.8000 -9.8000 -2.5474 -2.5474 -2.4050 -2.4050 0.0902 0.0902 0.2968 0.2968 3.3180 3.3180 3.9563 3.9563 5.6145 5.6145 6.1611 6.1611 6.2920 6.2920 6.9666 6.9666 7.0537 7.0537 7.4496 7.4496 7.8993 7.8993 8.4155 8.4155 8.6348 8.6348 9.4155 9.4155 11.7822 11.7822 12.6466 12.6466 15.0609 15.0609 16.5851 16.5851 16.6355 16.6355 16.8269 16.8269 k = 0.3571 0.3571 0.7520 ( 3246 PWs) bands (ev): -30.2321 -30.2321 -30.2272 -30.2272 -11.4569 -11.4569 -11.4562 -11.4562 -10.1779 -10.1779 -10.1778 -10.1778 -9.8389 -9.8389 -9.7982 -9.7982 -2.5527 -2.5527 -2.3839 -2.3839 0.0770 0.0770 0.3171 0.3171 3.2418 3.2418 3.9667 3.9667 5.5511 5.5511 6.0779 6.0779 6.2634 6.2634 6.9788 6.9788 7.1317 7.1317 7.5495 7.5495 7.9436 7.9436 8.4988 8.4988 8.5817 8.5817 9.4738 9.4738 11.6862 11.6862 12.6868 12.6868 14.9771 14.9771 16.5596 16.5596 16.6791 16.6791 16.8423 16.8423 k = 0.3452 0.3452 0.7520 ( 3250 PWs) bands (ev): -30.2325 -30.2325 -30.2268 -30.2268 -11.4569 -11.4569 -11.4561 -11.4561 -10.1767 -10.1767 -10.1766 -10.1766 -9.8436 -9.8436 -9.7963 -9.7963 -2.5582 -2.5582 -2.3611 -2.3611 0.0630 0.0630 0.3373 0.3373 3.1673 3.1673 3.9777 3.9777 5.4896 5.4896 5.9957 5.9957 6.2344 6.2344 6.9920 6.9920 7.1995 7.1995 7.6504 7.6504 7.9910 7.9910 8.5301 8.5301 8.5866 8.5866 9.5341 9.5341 11.5885 11.5885 12.7304 12.7304 14.8985 14.8985 16.5308 16.5308 16.6996 16.6996 16.8585 16.8585 k = 0.3333 0.3333 0.7520 ( 3254 PWs) bands (ev): -30.2330 -30.2330 -30.2264 -30.2264 -11.4569 -11.4569 -11.4560 -11.4560 -10.1755 -10.1755 -10.1754 -10.1754 -9.8485 -9.8485 -9.7942 -9.7942 -2.5639 -2.5639 -2.3365 -2.3365 0.0482 0.0482 0.3569 0.3569 3.0955 3.0955 3.9893 3.9893 5.4300 5.4300 5.9148 5.9148 6.2052 6.2052 7.0060 7.0060 7.2518 7.2518 7.7523 7.7523 8.0414 8.0414 8.4983 8.4983 8.6651 8.6651 9.5959 9.5959 11.4898 11.4898 12.7774 12.7774 14.8257 14.8257 16.4993 16.4993 16.7027 16.7027 16.8755 16.8755 k = 0.3214 0.3214 0.7520 ( 3254 PWs) bands (ev): -30.2334 -30.2334 -30.2260 -30.2260 -11.4570 -11.4570 -11.4560 -11.4560 -10.1743 -10.1743 -10.1741 -10.1741 -9.8535 -9.8535 -9.7920 -9.7920 -2.5698 -2.5698 -2.3102 -2.3102 0.0329 0.0329 0.3753 0.3753 3.0274 3.0274 4.0015 4.0015 5.3723 5.3723 5.8353 5.8353 6.1760 6.1760 7.0210 7.0210 7.2833 7.2833 7.8550 7.8550 8.0945 8.0945 8.4828 8.4828 8.7427 8.7427 9.6588 9.6588 11.3907 11.3907 12.8277 12.8277 14.7590 14.7590 16.4652 16.4652 16.6947 16.6947 16.8928 16.8928 k = 0.3095 0.3095 0.7520 ( 3258 PWs) bands (ev): -30.2339 -30.2339 -30.2255 -30.2255 -11.4570 -11.4570 -11.4560 -11.4560 -10.1730 -10.1730 -10.1728 -10.1728 -9.8587 -9.8587 -9.7895 -9.7895 -2.5758 -2.5758 -2.2822 -2.2822 0.0169 0.0169 0.3918 0.3918 2.9639 2.9639 4.0141 4.0141 5.3166 5.3166 5.7575 5.7575 6.1471 6.1471 7.0369 7.0369 7.2896 7.2896 7.9585 7.9585 8.1501 8.1501 8.4892 8.4892 8.8175 8.8175 9.7223 9.7223 11.2917 11.2917 12.8813 12.8813 14.6987 14.6987 16.4291 16.4291 16.6798 16.6798 16.9098 16.9098 k = 0.2976 0.2976 0.7520 ( 3252 PWs) bands (ev): -30.2343 -30.2343 -30.2251 -30.2251 -11.4571 -11.4571 -11.4560 -11.4560 -10.1718 -10.1718 -10.1715 -10.1715 -9.8639 -9.8639 -9.7869 -9.7869 -2.5820 -2.5820 -2.2525 -2.2525 0.0006 0.0006 0.4058 0.4058 2.9060 2.9060 4.0272 4.0272 5.2628 5.2628 5.6814 5.6814 6.1187 6.1187 7.0536 7.0536 7.2692 7.2692 8.0626 8.0626 8.2081 8.2081 8.5190 8.5190 8.8890 8.8890 9.7859 9.7859 11.1933 11.1933 12.9381 12.9381 14.6454 14.6454 16.3913 16.3913 16.6607 16.6607 16.9242 16.9242 k = 0.2857 0.2857 0.7520 ( 3252 PWs) bands (ev): -30.2348 -30.2348 -30.2246 -30.2246 -11.4572 -11.4572 -11.4560 -11.4560 -10.1705 -10.1705 -10.1702 -10.1702 -9.8692 -9.8692 -9.7842 -9.7842 -2.5882 -2.5882 -2.2212 -2.2212 -0.0161 -0.0161 0.4166 0.4166 2.8547 2.8547 4.0407 4.0407 5.2110 5.2110 5.6073 5.6073 6.0908 6.0908 7.0711 7.0711 7.2240 7.2240 8.1673 8.1673 8.2680 8.2680 8.5706 8.5706 8.9569 8.9569 9.8492 9.8492 11.0958 11.0958 12.9982 12.9982 14.5990 14.5990 16.3522 16.3522 16.6388 16.6388 16.9232 16.9232 k = 0.2738 0.2738 0.7520 ( 3252 PWs) bands (ev): -30.2353 -30.2353 -30.2241 -30.2241 -11.4573 -11.4573 -11.4561 -11.4561 -10.1693 -10.1693 -10.1689 -10.1689 -9.8745 -9.8745 -9.7813 -9.7813 -2.5945 -2.5945 -2.1883 -2.1883 -0.0331 -0.0331 0.4234 0.4234 2.8108 2.8108 4.0545 4.0545 5.1612 5.1612 5.5353 5.5353 6.0637 6.0637 7.0893 7.0893 7.1577 7.1577 8.2722 8.2722 8.3298 8.3298 8.6399 8.6399 9.0210 9.0210 9.9117 9.9117 10.9996 10.9996 13.0613 13.0613 14.5599 14.5599 16.3124 16.3124 16.6150 16.6150 16.8843 16.8843 k = 0.2619 0.2619 0.7520 ( 3262 PWs) bands (ev): -30.2358 -30.2358 -30.2237 -30.2237 -11.4575 -11.4575 -11.4562 -11.4562 -10.1681 -10.1681 -10.1675 -10.1675 -9.8798 -9.8798 -9.7782 -9.7782 -2.6008 -2.6008 -2.1539 -2.1539 -0.0502 -0.0502 0.4257 0.4257 2.7751 2.7751 4.0685 4.0685 5.1134 5.1134 5.4654 5.4654 6.0374 6.0374 7.0748 7.0748 7.1082 7.1082 8.3770 8.3770 8.3935 8.3935 8.7226 8.7226 9.0809 9.0809 9.9729 9.9729 10.9052 10.9052 13.1276 13.1276 14.5282 14.5282 16.2721 16.2721 16.5901 16.5901 16.8306 16.8306 k = 0.2500 0.2500 0.7520 ( 3252 PWs) bands (ev): -30.2363 -30.2363 -30.2231 -30.2231 -11.4577 -11.4577 -11.4564 -11.4564 -10.1670 -10.1670 -10.1663 -10.1663 -9.8850 -9.8850 -9.7751 -9.7751 -2.6070 -2.6070 -2.1180 -2.1180 -0.0675 -0.0675 0.4228 0.4228 2.7483 2.7483 4.0827 4.0827 5.0676 5.0676 5.3978 5.3978 6.0121 6.0121 6.9792 6.9792 7.1278 7.1278 8.4567 8.4567 8.4835 8.4835 8.8146 8.8146 9.1365 9.1365 10.0326 10.0326 10.8127 10.8127 13.1970 13.1970 14.5039 14.5039 16.2317 16.2317 16.5644 16.5644 16.7730 16.7730 k = 0.2381 0.2381 0.7520 ( 3256 PWs) bands (ev): -30.2368 -30.2368 -30.2227 -30.2227 -11.4579 -11.4579 -11.4565 -11.4565 -10.1659 -10.1659 -10.1650 -10.1650 -9.8902 -9.8902 -9.7718 -9.7718 -2.6132 -2.6132 -2.0806 -2.0806 -0.0847 -0.0847 0.4143 0.4143 2.7310 2.7310 4.0970 4.0970 5.0238 5.0238 5.3326 5.3326 5.9878 5.9878 6.8741 6.8741 7.1480 7.1480 8.5222 8.5222 8.5886 8.5886 8.9127 8.9127 9.1877 9.1877 10.0902 10.0902 10.7225 10.7225 13.2693 13.2693 14.4868 14.4868 16.1917 16.1917 16.5382 16.5382 16.7133 16.7133 k = 0.2262 0.2262 0.7520 ( 3252 PWs) bands (ev): -30.2373 -30.2373 -30.2222 -30.2222 -11.4581 -11.4581 -11.4567 -11.4567 -10.1649 -10.1649 -10.1638 -10.1638 -9.8952 -9.8952 -9.7685 -9.7685 -2.6193 -2.6193 -2.0419 -2.0419 -0.1017 -0.1017 0.4000 0.4000 2.7234 2.7234 4.1114 4.1114 4.9820 4.9820 5.2699 5.2699 5.9645 5.9645 6.7618 6.7618 7.1686 7.1686 8.5880 8.5880 8.6936 8.6936 9.0144 9.0144 9.2343 9.2343 10.1454 10.1454 10.6348 10.6348 13.3445 13.3445 14.4770 14.4770 16.1524 16.1524 16.5118 16.5118 16.6520 16.6520 k = 0.2143 0.2143 0.7520 ( 3248 PWs) bands (ev): -30.2378 -30.2378 -30.2217 -30.2217 -11.4583 -11.4583 -11.4569 -11.4569 -10.1639 -10.1639 -10.1627 -10.1627 -9.9002 -9.9002 -9.7650 -9.7650 -2.6252 -2.6252 -2.0019 -2.0019 -0.1186 -0.1186 0.3797 0.3797 2.7258 2.7258 4.1258 4.1258 4.9424 4.9424 5.2098 5.2098 5.9424 5.9424 6.6441 6.6441 7.1897 7.1897 8.6539 8.6539 8.7982 8.7982 9.1179 9.1179 9.2763 9.2763 10.1977 10.1977 10.5500 10.5500 13.4226 13.4226 14.4741 14.4741 16.1139 16.1139 16.4849 16.4849 16.5898 16.5898 k = 0.2024 0.2024 0.7520 ( 3240 PWs) bands (ev): -30.2382 -30.2382 -30.2212 -30.2212 -11.4586 -11.4586 -11.4572 -11.4572 -10.1629 -10.1629 -10.1616 -10.1616 -9.9049 -9.9049 -9.7616 -9.7616 -2.6310 -2.6310 -1.9606 -1.9606 -0.1351 -0.1351 0.3537 0.3537 2.7379 2.7379 4.1402 4.1402 4.9047 4.9047 5.1524 5.1524 5.9215 5.9215 6.5223 6.5223 7.2110 7.2110 8.7196 8.7196 8.9022 8.9022 9.2215 9.2215 9.3137 9.3137 10.2469 10.2469 10.4684 10.4684 13.5033 13.5033 14.4779 14.4779 16.0766 16.0766 16.4568 16.4568 16.5280 16.5280 k = 0.1905 0.1905 0.7520 ( 3252 PWs) bands (ev): -30.2387 -30.2387 -30.2208 -30.2208 -11.4588 -11.4588 -11.4575 -11.4575 -10.1621 -10.1621 -10.1606 -10.1606 -9.9094 -9.9094 -9.7581 -9.7581 -2.6366 -2.6366 -1.9183 -1.9183 -0.1513 -0.1513 0.3221 0.3221 2.7596 2.7596 4.1545 4.1545 4.8692 4.8692 5.0978 5.0978 5.9017 5.9017 6.3976 6.3976 7.2326 7.2326 8.7847 8.7847 9.0054 9.0054 9.3234 9.3234 9.3475 9.3475 10.2925 10.2925 10.3901 10.3901 13.5867 13.5867 14.4878 14.4878 16.0407 16.0407 16.4237 16.4237 16.4709 16.4709 k = 0.1786 0.1786 0.7520 ( 3248 PWs) bands (ev): -30.2392 -30.2392 -30.2203 -30.2203 -11.4591 -11.4591 -11.4577 -11.4577 -10.1613 -10.1613 -10.1596 -10.1596 -9.9137 -9.9137 -9.7546 -9.7546 -2.6420 -2.6420 -1.8750 -1.8750 -0.1669 -0.1669 0.2857 0.2857 2.7903 2.7903 4.1687 4.1687 4.8358 4.8358 5.0460 5.0460 5.8831 5.8831 6.2708 6.2708 7.2543 7.2543 8.8488 8.8488 9.1075 9.1075 9.3738 9.3738 9.4264 9.4264 10.3154 10.3154 10.3343 10.3343 13.6725 13.6725 14.5035 14.5035 16.0064 16.0064 16.3757 16.3757 16.4288 16.4288 k = 0.1667 0.1667 0.7520 ( 3252 PWs) bands (ev): -30.2396 -30.2396 -30.2199 -30.2199 -11.4594 -11.4594 -11.4580 -11.4580 -10.1605 -10.1605 -10.1588 -10.1588 -9.9178 -9.9178 -9.7512 -9.7512 -2.6471 -2.6471 -1.8309 -1.8309 -0.1820 -0.1820 0.2449 0.2449 2.8293 2.8293 4.1828 4.1828 4.8045 4.8045 4.9972 4.9972 5.8658 5.8658 6.1425 6.1425 7.2759 7.2759 8.9114 8.9114 9.2082 9.2082 9.3980 9.3980 9.5243 9.5243 10.2450 10.2450 10.3716 10.3716 13.7607 13.7607 14.5242 14.5242 15.9738 15.9738 16.3158 16.3158 16.3997 16.3997 k = 0.1548 0.1548 0.7520 ( 3244 PWs) bands (ev): -30.2400 -30.2400 -30.2195 -30.2195 -11.4597 -11.4597 -11.4583 -11.4583 -10.1599 -10.1599 -10.1580 -10.1580 -9.9217 -9.9217 -9.7478 -9.7478 -2.6520 -2.6520 -1.7861 -1.7861 -0.1964 -0.1964 0.2004 0.2004 2.8761 2.8761 4.1968 4.1968 4.7753 4.7753 4.9514 4.9514 5.8497 5.8497 6.0135 6.0135 7.2974 7.2974 8.9721 8.9721 9.3074 9.3074 9.4178 9.4178 9.6190 9.6190 10.1788 10.1788 10.4044 10.4044 13.8510 13.8510 14.5493 14.5493 15.9431 15.9431 16.2529 16.2529 16.3752 16.3752 k = 0.1429 0.1429 0.7520 ( 3244 PWs) bands (ev): -30.2404 -30.2404 -30.2191 -30.2191 -11.4600 -11.4600 -11.4587 -11.4587 -10.1592 -10.1592 -10.1573 -10.1573 -9.9252 -9.9252 -9.7446 -9.7446 -2.6566 -2.6566 -1.7409 -1.7409 -0.2101 -0.2101 0.1531 0.1531 2.9296 2.9296 4.2107 4.2107 4.7482 4.7482 4.9086 4.9086 5.8348 5.8348 5.8843 5.8843 7.3184 7.3184 9.0305 9.0305 9.4046 9.4046 9.4336 9.4336 9.7096 9.7096 10.1172 10.1172 10.4324 10.4324 13.9432 13.9432 14.5780 14.5780 15.9144 15.9144 16.1902 16.1902 16.3528 16.3528 k = 0.1310 0.1310 0.7520 ( 3244 PWs) bands (ev): -30.2408 -30.2408 -30.2187 -30.2187 -11.4603 -11.4603 -11.4590 -11.4590 -10.1587 -10.1587 -10.1567 -10.1567 -9.9285 -9.9285 -9.7415 -9.7415 -2.6610 -2.6610 -1.6955 -1.6955 -0.2230 -0.2230 0.1037 0.1037 2.9891 2.9891 4.2247 4.2247 4.7232 4.7232 4.8691 4.8691 5.7554 5.7554 5.8212 5.8212 7.3390 7.3390 9.0860 9.0860 9.4452 9.4452 9.4999 9.4999 9.7954 9.7954 10.0607 10.0607 10.4551 10.4551 14.0370 14.0370 14.6095 14.6095 15.8877 15.8877 16.1290 16.1290 16.3320 16.3320 k = 0.1190 0.1190 0.7520 ( 3240 PWs) bands (ev): -30.2411 -30.2411 -30.2184 -30.2184 -11.4606 -11.4606 -11.4593 -11.4593 -10.1582 -10.1582 -10.1561 -10.1561 -9.9315 -9.9315 -9.7385 -9.7385 -2.6649 -2.6649 -1.6503 -1.6503 -0.2350 -0.2350 0.0532 0.0532 3.0535 3.0535 4.2389 4.2389 4.7004 4.7004 4.8327 4.8327 5.6274 5.6274 5.8087 5.8087 7.3588 7.3588 9.1382 9.1382 9.4536 9.4536 9.5925 9.5925 9.8758 9.8758 10.0095 10.0095 10.4725 10.4725 14.1320 14.1320 14.6430 14.6430 15.8631 15.8631 16.0703 16.0703 16.3125 16.3125 k = 0.1071 0.1071 0.7520 ( 3240 PWs) bands (ev): -30.2415 -30.2415 -30.2180 -30.2180 -11.4609 -11.4609 -11.4596 -11.4596 -10.1578 -10.1578 -10.1556 -10.1556 -9.9343 -9.9343 -9.7357 -9.7357 -2.6686 -2.6686 -1.6057 -1.6057 -0.2460 -0.2460 0.0024 0.0024 3.1218 3.1218 4.2535 4.2535 4.6798 4.6798 4.7996 4.7996 5.5007 5.5007 5.7975 5.7975 7.3777 7.3777 9.1864 9.1864 9.4589 9.4589 9.6823 9.6823 9.9501 9.9501 9.9641 9.9641 10.4841 10.4841 14.2277 14.2277 14.6774 14.6774 15.8408 15.8408 16.0148 16.0148 16.2945 16.2945 k = 0.0952 0.0952 0.7520 ( 3236 PWs) bands (ev): -30.2418 -30.2418 -30.2177 -30.2177 -11.4611 -11.4611 -11.4598 -11.4598 -10.1574 -10.1574 -10.1552 -10.1552 -9.9367 -9.9367 -9.7331 -9.7331 -2.6719 -2.6719 -1.5621 -1.5621 -0.2561 -0.2561 -0.0479 -0.0479 3.1928 3.1928 4.2689 4.2689 4.6612 4.6612 4.7699 4.7699 5.3760 5.3760 5.7875 5.7875 7.3954 7.3954 9.2302 9.2302 9.4616 9.4616 9.7690 9.7690 9.9239 9.9239 10.0186 10.0186 10.4900 10.4900 14.3236 14.3236 14.7118 14.7118 15.8206 15.8206 15.9632 15.9632 16.2780 16.2780 k = 0.0833 0.0833 0.7520 ( 3240 PWs) bands (ev): -30.2420 -30.2420 -30.2175 -30.2175 -11.4614 -11.4614 -11.4601 -11.4601 -10.1571 -10.1571 -10.1549 -10.1549 -9.9388 -9.9388 -9.7308 -9.7308 -2.6749 -2.6749 -1.5201 -1.5201 -0.2651 -0.2651 -0.0965 -0.0965 3.2650 3.2650 4.2855 4.2855 4.6449 4.6449 4.7435 4.7435 5.2539 5.2539 5.7787 5.7787 7.4118 7.4118 9.2688 9.2688 9.4625 9.4625 9.8521 9.8521 9.8898 9.8898 10.0798 10.0798 10.4897 10.4897 14.4186 14.4186 14.7454 14.7454 15.8025 15.8025 15.9162 15.9162 16.2629 16.2629 k = 0.0714 0.0714 0.7520 ( 3240 PWs) bands (ev): -30.2423 -30.2423 -30.2173 -30.2173 -11.4616 -11.4616 -11.4603 -11.4603 -10.1568 -10.1568 -10.1546 -10.1546 -9.9407 -9.9407 -9.7287 -9.7287 -2.6775 -2.6775 -1.4805 -1.4805 -0.2729 -0.2729 -0.1426 -0.1426 3.3367 3.3367 4.3042 4.3042 4.6307 4.6307 4.7205 4.7205 5.1351 5.1351 5.7711 5.7711 7.4265 7.4265 9.3014 9.3014 9.4626 9.4626 9.8613 9.8613 9.9315 9.9315 10.1338 10.1338 10.4833 10.4833 14.5115 14.5115 14.7772 14.7772 15.7866 15.7866 15.8744 15.8744 16.2495 16.2495 k = 0.0595 0.0595 0.7520 ( 3244 PWs) bands (ev): -30.2425 -30.2425 -30.2171 -30.2171 -11.4618 -11.4618 -11.4605 -11.4605 -10.1566 -10.1566 -10.1544 -10.1544 -9.9423 -9.9423 -9.7269 -9.7269 -2.6797 -2.6797 -1.4442 -1.4442 -0.2797 -0.2797 -0.1848 -0.1848 3.4058 3.4058 4.3260 4.3260 4.6187 4.6187 4.7010 4.7010 5.0206 5.0206 5.7647 5.7647 7.4395 7.4395 9.3273 9.3273 9.4631 9.4631 9.8383 9.8383 10.0067 10.0067 10.1801 10.1801 10.4707 10.4707 14.6005 14.6005 14.8065 14.8065 15.7726 15.7726 15.8386 15.8386 16.2379 16.2379 k = 0.0476 0.0476 0.7520 ( 3246 PWs) bands (ev): -30.2426 -30.2426 -30.2169 -30.2169 -11.4619 -11.4619 -11.4607 -11.4607 -10.1564 -10.1564 -10.1542 -10.1542 -9.9435 -9.9435 -9.7254 -9.7254 -2.6815 -2.6815 -1.4121 -1.4121 -0.2853 -0.2853 -0.2219 -0.2219 3.4695 3.4695 4.3522 4.3522 4.6089 4.6089 4.6850 4.6850 4.9115 4.9115 5.7594 5.7594 7.4504 7.4504 9.3459 9.3459 9.4651 9.4651 9.8203 9.8203 10.0772 10.0772 10.2185 10.2185 10.4519 10.4519 14.6825 14.6825 14.8327 14.8327 15.7603 15.7603 15.8093 15.8093 16.1823 16.1823 k = 0.0357 0.0357 0.7520 ( 3254 PWs) bands (ev): -30.2428 -30.2428 -30.2168 -30.2168 -11.4621 -11.4621 -11.4608 -11.4608 -10.1563 -10.1563 -10.1541 -10.1541 -9.9445 -9.9445 -9.7242 -9.7242 -2.6829 -2.6829 -1.3854 -1.3854 -0.2897 -0.2897 -0.2528 -0.2528 3.5247 3.5247 4.3846 4.3846 4.6012 4.6012 4.6726 4.6726 4.8092 4.8092 5.7553 5.7553 7.4591 7.4591 9.3577 9.3577 9.4686 9.4686 9.8069 9.8069 10.1428 10.1428 10.2486 10.2486 10.4269 10.4269 14.7533 14.7533 14.8559 14.8559 15.7495 15.7495 15.7873 15.7873 16.0977 16.0977 k = 0.0238 0.0238 0.7520 ( 3250 PWs) bands (ev): -30.2429 -30.2429 -30.2167 -30.2167 -11.4622 -11.4622 -11.4609 -11.4609 -10.1562 -10.1562 -10.1540 -10.1540 -9.9452 -9.9452 -9.7234 -9.7234 -2.6839 -2.6839 -1.3653 -1.3653 -0.2928 -0.2928 -0.2760 -0.2760 3.5678 3.5678 4.4244 4.4244 4.5958 4.5958 4.6636 4.6636 4.7158 4.7158 5.7524 5.7524 7.4655 7.4655 9.3641 9.3641 9.4728 9.4728 9.7976 9.7976 10.2028 10.2028 10.2704 10.2704 10.3961 10.3961 14.8064 14.8064 14.8772 14.8772 15.7404 15.7404 15.7726 15.7726 16.0307 16.0307 k = 0.0119 0.0119 0.7520 ( 3238 PWs) bands (ev): -30.2429 -30.2429 -30.2166 -30.2166 -11.4622 -11.4622 -11.4610 -11.4610 -10.1561 -10.1561 -10.1539 -10.1539 -9.9457 -9.9457 -9.7229 -9.7229 -2.6845 -2.6845 -1.3527 -1.3527 -0.2947 -0.2947 -0.2904 -0.2904 3.5954 3.5954 4.4708 4.4708 4.5925 4.5925 4.6356 4.6356 4.6583 4.6583 5.7507 5.7507 7.4693 7.4693 9.3670 9.3670 9.4761 9.4761 9.7922 9.7922 10.2555 10.2555 10.2837 10.2837 10.3608 10.3608 14.8361 14.8361 14.8959 14.8959 15.7341 15.7341 15.7644 15.7644 15.9870 15.9870 k = 0.0000 0.0000 0.7520 ( 3230 PWs) bands (ev): -30.2429 -30.2429 -30.2166 -30.2166 -11.4622 -11.4622 -11.4610 -11.4610 -10.1561 -10.1561 -10.1539 -10.1539 -9.9458 -9.9458 -9.7227 -9.7227 -2.6847 -2.6847 -1.3484 -1.3484 -0.2955 -0.2955 -0.2950 -0.2950 3.6049 3.6049 4.5033 4.5033 4.5913 4.5913 4.5915 4.5915 4.6565 4.6565 5.7501 5.7501 7.4706 7.4706 9.3678 9.3678 9.4774 9.4774 9.7904 9.7904 10.2842 10.2842 10.2913 10.2913 10.3346 10.3346 14.8449 14.8449 14.9041 14.9041 15.7317 15.7317 15.7619 15.7619 15.9718 15.9718 k = 0.0000 0.5000-0.0000 ( 3214 PWs) bands (ev): -30.2609 -30.2609 -30.2609 -30.2609 -11.3243 -11.3243 -11.3243 -11.3243 -9.9608 -9.9608 -9.9608 -9.9608 -9.8745 -9.8745 -9.8745 -9.8745 -2.7242 -2.7242 -2.7242 -2.7242 0.3003 0.3003 0.3003 0.3003 2.5473 2.5473 2.5473 2.5473 6.4468 6.4468 6.4468 6.4468 7.2784 7.2784 7.2784 7.2784 7.8420 7.8420 7.8420 7.8420 8.9959 8.9959 8.9959 8.9959 10.3505 10.3505 10.3505 10.3505 12.8222 12.8222 12.8222 12.8222 14.4712 14.4712 14.4712 14.4712 14.8202 14.8202 14.8202 14.8202 k = 0.0000 0.5000 0.0167 ( 3216 PWs) bands (ev): -30.2608 -30.2608 -30.2608 -30.2608 -11.3245 -11.3245 -11.3244 -11.3244 -9.9608 -9.9608 -9.9607 -9.9607 -9.8751 -9.8751 -9.8748 -9.8748 -2.7239 -2.7239 -2.7237 -2.7237 0.2996 0.2996 0.3013 0.3013 2.5469 2.5469 2.5485 2.5485 6.4458 6.4458 6.4458 6.4458 7.2785 7.2785 7.2785 7.2785 7.8399 7.8399 7.8402 7.8402 8.9954 8.9954 8.9959 8.9959 10.3493 10.3493 10.3501 10.3501 12.8262 12.8262 12.8262 12.8262 14.4490 14.4490 14.4493 14.4493 14.8362 14.8362 14.8369 14.8369 k = 0.0000 0.5000 0.0334 ( 3214 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3249 -11.3249 -11.3246 -11.3246 -9.9604 -9.9604 -9.9603 -9.9603 -9.8765 -9.8765 -9.8759 -9.8759 -2.7226 -2.7226 -2.7222 -2.7222 0.2991 0.2991 0.3024 0.3024 2.5472 2.5472 2.5503 2.5503 6.4426 6.4426 6.4427 6.4427 7.2788 7.2788 7.2788 7.2788 7.8339 7.8339 7.8345 7.8345 8.9943 8.9943 8.9954 8.9954 10.3466 10.3466 10.3482 10.3482 12.8382 12.8382 12.8383 12.8383 14.3920 14.3920 14.3927 14.3927 14.8762 14.8762 14.8774 14.8774 k = 0.0000 0.5000 0.0501 ( 3214 PWs) bands (ev): -30.2605 -30.2605 -30.2605 -30.2605 -11.3254 -11.3254 -11.3250 -11.3250 -9.9599 -9.9599 -9.9597 -9.9597 -9.8788 -9.8788 -9.8779 -9.8779 -2.7204 -2.7204 -2.7199 -2.7199 0.2988 0.2988 0.3038 0.3038 2.5482 2.5482 2.5528 2.5528 6.4374 6.4374 6.4375 6.4375 7.2791 7.2791 7.2792 7.2792 7.8241 7.8241 7.8250 7.8250 8.9927 8.9927 8.9943 8.9943 10.3425 10.3425 10.3447 10.3447 12.8581 12.8581 12.8583 12.8583 14.3145 14.3145 14.3157 14.3157 14.9266 14.9266 14.9281 14.9281 k = 0.0000 0.5000 0.0668 ( 3208 PWs) bands (ev): -30.2602 -30.2602 -30.2602 -30.2602 -11.3262 -11.3262 -11.3256 -11.3256 -9.9591 -9.9591 -9.9589 -9.9589 -9.8819 -9.8819 -9.8807 -9.8807 -2.7174 -2.7174 -2.7166 -2.7166 0.2987 0.2987 0.3053 0.3053 2.5499 2.5499 2.5560 2.5560 6.4302 6.4302 6.4303 6.4303 7.2796 7.2796 7.2797 7.2797 7.8107 7.8107 7.8120 7.8120 8.9906 8.9906 8.9927 8.9927 10.3368 10.3368 10.3398 10.3398 12.8858 12.8858 12.8861 12.8861 14.2253 14.2253 14.2269 14.2269 14.9801 14.9801 14.9817 14.9817 k = 0.0000 0.5000 0.0836 ( 3220 PWs) bands (ev): -30.2599 -30.2599 -30.2599 -30.2599 -11.3272 -11.3272 -11.3265 -11.3265 -9.9582 -9.9582 -9.9578 -9.9578 -9.8858 -9.8858 -9.8843 -9.8843 -2.7135 -2.7135 -2.7125 -2.7125 0.2988 0.2988 0.3069 0.3069 2.5523 2.5523 2.5599 2.5599 6.4210 6.4210 6.4211 6.4211 7.2800 7.2800 7.2803 7.2803 7.7940 7.7940 7.7955 7.7955 8.9881 8.9881 8.9906 8.9906 10.3297 10.3297 10.3333 10.3333 12.9209 12.9209 12.9214 12.9214 14.1287 14.1287 14.1306 14.1306 15.0339 15.0339 15.0354 15.0354 k = 0.0000 0.5000 0.1003 ( 3216 PWs) bands (ev): -30.2595 -30.2595 -30.2595 -30.2595 -11.3284 -11.3284 -11.3275 -11.3275 -9.9571 -9.9571 -9.9566 -9.9566 -9.8903 -9.8903 -9.8885 -9.8885 -2.7087 -2.7087 -2.7076 -2.7076 0.2991 0.2991 0.3088 0.3088 2.5554 2.5554 2.5645 2.5645 6.4099 6.4099 6.4101 6.4101 7.2804 7.2804 7.2807 7.2807 7.7742 7.7742 7.7760 7.7760 8.9852 8.9852 8.9881 8.9881 10.3211 10.3211 10.3254 10.3254 12.9633 12.9633 12.9639 12.9639 14.0272 14.0272 14.0296 14.0296 15.0872 15.0872 15.0883 15.0883 k = 0.0000 0.5000 0.1170 ( 3232 PWs) bands (ev): -30.2591 -30.2591 -30.2591 -30.2591 -11.3298 -11.3298 -11.3288 -11.3288 -9.9559 -9.9559 -9.9553 -9.9553 -9.8955 -9.8955 -9.8934 -9.8934 -2.7031 -2.7031 -2.7018 -2.7018 0.2996 0.2996 0.3107 0.3107 2.5593 2.5593 2.5697 2.5697 6.3970 6.3970 6.3972 6.3972 7.2804 7.2804 7.2808 7.2808 7.7517 7.7517 7.7538 7.7538 8.9820 8.9820 8.9853 8.9853 10.3112 10.3112 10.3161 10.3161 13.0125 13.0125 13.0133 13.0133 13.9225 13.9225 13.9252 13.9252 15.1401 15.1401 15.1407 15.1407 k = 0.0000 0.5000 0.1337 ( 3234 PWs) bands (ev): -30.2585 -30.2585 -30.2585 -30.2585 -11.3313 -11.3313 -11.3302 -11.3302 -9.9547 -9.9547 -9.9540 -9.9540 -9.9013 -9.9013 -9.8988 -9.8988 -2.6968 -2.6968 -2.6953 -2.6953 0.3002 0.3002 0.3127 0.3127 2.5638 2.5638 2.5756 2.5756 6.3824 6.3824 6.3826 6.3826 7.2799 7.2799 7.2805 7.2805 7.7270 7.7270 7.7294 7.7294 8.9786 8.9786 8.9822 8.9822 10.2998 10.2998 10.3053 10.3053 13.0681 13.0681 13.0692 13.0692 13.8156 13.8156 13.8187 13.8187 15.1927 15.1927 15.1927 15.1927 k = 0.0000 0.5000 0.1504 ( 3240 PWs) bands (ev): -30.2579 -30.2579 -30.2579 -30.2579 -11.3332 -11.3332 -11.3319 -11.3319 -9.9536 -9.9536 -9.9528 -9.9528 -9.9073 -9.9073 -9.9046 -9.9046 -2.6897 -2.6897 -2.6881 -2.6881 0.3009 0.3009 0.3148 0.3148 2.5691 2.5691 2.5822 2.5822 6.3662 6.3662 6.3663 6.3663 7.2787 7.2787 7.2795 7.2795 7.7006 7.7006 7.7033 7.7033 8.9751 8.9751 8.9789 8.9789 10.2872 10.2872 10.2931 10.2931 13.1293 13.1293 13.1310 13.1310 13.7077 13.7077 13.7114 13.7114 15.2448 15.2448 15.2453 15.2453 k = 0.0000 0.5000 0.1671 ( 3252 PWs) bands (ev): -30.2573 -30.2573 -30.2573 -30.2573 -11.3352 -11.3352 -11.3338 -11.3338 -9.9528 -9.9528 -9.9519 -9.9519 -9.9134 -9.9134 -9.9103 -9.9103 -2.6820 -2.6820 -2.6802 -2.6802 0.3017 0.3017 0.3169 0.3169 2.5751 2.5751 2.5893 2.5893 6.3485 6.3485 6.3487 6.3487 7.2763 7.2763 7.2773 7.2773 7.6731 7.6731 7.6762 7.6762 8.9716 8.9716 8.9756 8.9756 10.2732 10.2732 10.2796 10.2796 13.1947 13.1947 13.1974 13.1974 13.6001 13.6001 13.6048 13.6048 15.2970 15.2970 15.2982 15.2982 k = 0.0000 0.5000 0.1838 ( 3246 PWs) bands (ev): -30.2565 -30.2565 -30.2565 -30.2565 -11.3374 -11.3374 -11.3360 -11.3360 -9.9528 -9.9528 -9.9519 -9.9519 -9.9189 -9.9189 -9.9157 -9.9157 -2.6736 -2.6736 -2.6716 -2.6716 0.3026 0.3026 0.3190 0.3190 2.5818 2.5818 2.5972 2.5972 6.3294 6.3294 6.3296 6.3296 7.2723 7.2723 7.2735 7.2735 7.6454 7.6454 7.6487 7.6487 8.9681 8.9681 8.9722 8.9722 10.2579 10.2579 10.2647 10.2647 13.2597 13.2597 13.2650 13.2650 13.4965 13.4965 13.5037 13.5037 15.3497 15.3497 15.3515 15.3515 k = 0.0000 0.5000 0.2005 ( 3238 PWs) bands (ev): -30.2557 -30.2557 -30.2557 -30.2557 -11.3399 -11.3399 -11.3383 -11.3383 -9.9542 -9.9542 -9.9536 -9.9536 -9.9231 -9.9231 -9.9199 -9.9199 -2.6647 -2.6647 -2.6625 -2.6625 0.3036 0.3036 0.3211 0.3211 2.5892 2.5892 2.6056 2.6056 6.3093 6.3093 6.3094 6.3094 7.2660 7.2660 7.2674 7.2674 7.6182 7.6182 7.6217 7.6217 8.9648 8.9648 8.9689 8.9689 10.2415 10.2415 10.2486 10.2486 13.2960 13.2960 13.3064 13.3064 13.4244 13.4244 13.4368 13.4368 15.4026 15.4026 15.4049 15.4049 k = 0.0000 0.5000 0.2172 ( 3234 PWs) bands (ev): -30.2549 -30.2549 -30.2549 -30.2549 -11.3425 -11.3425 -11.3409 -11.3409 -9.9577 -9.9577 -9.9576 -9.9576 -9.9251 -9.9251 -9.9224 -9.9224 -2.6552 -2.6552 -2.6529 -2.6529 0.3046 0.3046 0.3231 0.3231 2.5973 2.5973 2.6146 2.6146 6.2880 6.2880 6.2882 6.2882 7.2567 7.2567 7.2583 7.2583 7.5925 7.5925 7.5963 7.5963 8.9618 8.9618 8.9658 8.9658 10.2238 10.2238 10.2311 10.2311 13.2364 13.2364 13.2420 13.2420 13.4634 13.4634 13.4709 13.4709 15.4556 15.4556 15.4584 15.4584 k = 0.0000 0.5000 0.2339 ( 3238 PWs) bands (ev): -30.2540 -30.2540 -30.2540 -30.2540 -11.3454 -11.3454 -11.3437 -11.3437 -9.9639 -9.9639 -9.9633 -9.9633 -9.9251 -9.9251 -9.9229 -9.9229 -2.6453 -2.6453 -2.6428 -2.6428 0.3055 0.3055 0.3250 0.3250 2.6060 2.6060 2.6242 2.6242 6.2660 6.2660 6.2662 6.2662 7.2437 7.2437 7.2454 7.2454 7.5695 7.5695 7.5733 7.5733 8.9591 8.9591 8.9630 8.9630 10.2049 10.2049 10.2125 10.2125 13.1373 13.1373 13.1403 13.1403 13.5451 13.5451 13.5498 13.5498 15.5085 15.5085 15.5116 15.5116 k = 0.0000 0.5000 0.2507 ( 3238 PWs) bands (ev): -30.2531 -30.2531 -30.2531 -30.2531 -11.3485 -11.3485 -11.3467 -11.3467 -9.9718 -9.9718 -9.9706 -9.9706 -9.9236 -9.9236 -9.9219 -9.9219 -2.6349 -2.6349 -2.6323 -2.6323 0.3065 0.3065 0.3268 0.3268 2.6154 2.6154 2.6343 2.6343 6.2433 6.2433 6.2435 6.2435 7.2262 7.2262 7.2280 7.2280 7.5499 7.5499 7.5538 7.5538 8.9568 8.9568 8.9606 8.9606 10.1849 10.1849 10.1926 10.1926 13.0321 13.0321 13.0341 13.0341 13.6363 13.6363 13.6400 13.6400 15.5609 15.5609 15.5642 15.5642 k = 0.0000 0.5000 0.2674 ( 3238 PWs) bands (ev): -30.2522 -30.2522 -30.2522 -30.2522 -11.3519 -11.3519 -11.3499 -11.3499 -9.9806 -9.9806 -9.9789 -9.9789 -9.9212 -9.9212 -9.9199 -9.9199 -2.6243 -2.6243 -2.6215 -2.6215 0.3074 0.3074 0.3285 0.3285 2.6253 2.6253 2.6449 2.6449 6.2201 6.2201 6.2203 6.2203 7.2039 7.2039 7.2056 7.2056 7.5345 7.5345 7.5382 7.5382 8.9551 8.9551 8.9586 8.9586 10.1638 10.1638 10.1715 10.1715 12.9261 12.9261 12.9278 12.9278 13.7331 13.7331 13.7362 13.7362 15.6125 15.6125 15.6157 15.6157 k = 0.0000 0.5000 0.2841 ( 3238 PWs) bands (ev): -30.2512 -30.2512 -30.2512 -30.2512 -11.3554 -11.3554 -11.3534 -11.3534 -9.9900 -9.9900 -9.9880 -9.9880 -9.9183 -9.9183 -9.9173 -9.9173 -2.6133 -2.6133 -2.6105 -2.6105 0.3082 0.3082 0.3299 0.3299 2.6359 2.6359 2.6560 2.6560 6.1967 6.1967 6.1969 6.1969 7.1767 7.1767 7.1783 7.1783 7.5234 7.5234 7.5268 7.5268 8.9540 8.9540 8.9571 8.9571 10.1415 10.1415 10.1493 10.1493 12.8207 12.8207 12.8222 12.8222 13.8342 13.8342 13.8371 13.8371 15.6627 15.6627 15.6656 15.6656 k = 0.0000 0.5000 0.3008 ( 3242 PWs) bands (ev): -30.2501 -30.2501 -30.2501 -30.2501 -11.3591 -11.3591 -11.3571 -11.3571 -9.9997 -9.9997 -9.9974 -9.9974 -9.9151 -9.9151 -9.9142 -9.9142 -2.6021 -2.6021 -2.5992 -2.5992 0.3090 0.3090 0.3312 0.3312 2.6470 2.6470 2.6676 2.6676 6.1732 6.1732 6.1734 6.1734 7.1451 7.1451 7.1465 7.1465 7.5163 7.5163 7.5193 7.5193 8.9536 8.9536 8.9563 8.9563 10.1183 10.1183 10.1260 10.1260 12.7165 12.7165 12.7180 12.7180 13.9391 13.9391 13.9418 13.9418 15.7112 15.7112 15.7134 15.7134 k = 0.0000 0.5000 0.3175 ( 3244 PWs) bands (ev): -30.2491 -30.2491 -30.2491 -30.2491 -11.3630 -11.3630 -11.3609 -11.3609 -10.0097 -10.0097 -10.0072 -10.0072 -9.9116 -9.9116 -9.9109 -9.9109 -2.5908 -2.5908 -2.5878 -2.5878 0.3096 0.3096 0.3322 0.3322 2.6586 2.6586 2.6795 2.6795 6.1498 6.1498 6.1500 6.1500 7.1096 7.1096 7.1107 7.1107 7.5128 7.5128 7.5154 7.5154 8.9539 8.9539 8.9561 8.9561 10.0939 10.0939 10.1016 10.1016 12.6139 12.6139 12.6154 12.6154 14.0474 14.0474 14.0501 14.0501 15.7574 15.7574 15.7587 15.7587 k = 0.0000 0.5000 0.3342 ( 3244 PWs) bands (ev): -30.2480 -30.2480 -30.2480 -30.2480 -11.3671 -11.3671 -11.3650 -11.3650 -10.0197 -10.0197 -10.0170 -10.0170 -9.9079 -9.9079 -9.9073 -9.9073 -2.5794 -2.5794 -2.5763 -2.5763 0.3101 0.3101 0.3330 0.3330 2.6707 2.6707 2.6918 2.6918 6.1268 6.1268 6.1269 6.1269 7.0710 7.0710 7.0719 7.0719 7.5122 7.5122 7.5143 7.5143 8.9550 8.9550 8.9567 8.9567 10.0687 10.0687 10.0761 10.0761 12.5132 12.5132 12.5149 12.5149 14.1589 14.1589 14.1615 14.1615 15.8009 15.8009 15.8010 15.8010 k = 0.0000 0.5000 0.3509 ( 3244 PWs) bands (ev): -30.2470 -30.2470 -30.2470 -30.2470 -11.3714 -11.3714 -11.3692 -11.3692 -10.0296 -10.0296 -10.0268 -10.0268 -9.9041 -9.9041 -9.9036 -9.9036 -2.5679 -2.5679 -2.5647 -2.5647 0.3105 0.3105 0.3335 0.3335 2.6832 2.6832 2.7044 2.7044 6.1043 6.1043 6.1044 6.1044 7.0299 7.0299 7.0306 7.0306 7.5139 7.5139 7.5156 7.5156 8.9569 8.9569 8.9581 8.9581 10.0424 10.0424 10.0497 10.0497 12.4147 12.4147 12.4165 12.4165 14.2732 14.2732 14.2759 14.2759 15.8400 15.8400 15.8413 15.8413 k = 0.0000 0.5000 0.3676 ( 3244 PWs) bands (ev): -30.2459 -30.2459 -30.2459 -30.2459 -11.3758 -11.3758 -11.3736 -11.3736 -10.0395 -10.0395 -10.0366 -10.0366 -9.9002 -9.9002 -9.8998 -9.8998 -2.5565 -2.5565 -2.5533 -2.5533 0.3107 0.3107 0.3338 0.3338 2.6960 2.6960 2.7172 2.7172 6.0824 6.0824 6.0825 6.0825 6.9869 6.9869 6.9874 6.9874 7.5176 7.5176 7.5188 7.5188 8.9597 8.9597 8.9603 8.9603 10.0153 10.0153 10.0223 10.0223 12.3185 12.3185 12.3204 12.3204 14.3901 14.3901 14.3929 14.3929 15.8754 15.8754 15.8783 15.8783 k = 0.0000 0.5000 0.3843 ( 3236 PWs) bands (ev): -30.2448 -30.2448 -30.2448 -30.2448 -11.3803 -11.3803 -11.3782 -11.3782 -10.0492 -10.0492 -10.0463 -10.0463 -9.8963 -9.8963 -9.8959 -9.8959 -2.5451 -2.5451 -2.5418 -2.5418 0.3108 0.3108 0.3338 0.3338 2.7091 2.7091 2.7302 2.7302 6.0615 6.0615 6.0616 6.0616 6.9426 6.9426 6.9429 6.9429 7.5227 7.5227 7.5235 7.5235 8.9634 8.9634 8.9634 8.9634 9.9872 9.9872 9.9939 9.9939 12.2249 12.2249 12.2270 12.2270 14.5094 14.5094 14.5123 14.5123 15.9073 15.9073 15.9119 15.9119 k = 0.0000 0.5000 0.4011 ( 3244 PWs) bands (ev): -30.2437 -30.2437 -30.2437 -30.2437 -11.3850 -11.3850 -11.3828 -11.3828 -10.0587 -10.0587 -10.0557 -10.0557 -9.8923 -9.8923 -9.8920 -9.8920 -2.5339 -2.5339 -2.5306 -2.5306 0.3107 0.3107 0.3335 0.3335 2.7225 2.7225 2.7433 2.7433 6.0416 6.0416 6.0417 6.0417 6.8973 6.8973 6.8974 6.8974 7.5290 7.5290 7.5295 7.5295 8.9674 8.9674 8.9681 8.9681 9.9584 9.9584 9.9647 9.9647 12.1340 12.1340 12.1363 12.1363 14.6309 14.6309 14.6339 14.6339 15.9358 15.9358 15.9420 15.9420 k = 0.0000 0.5000 0.4178 ( 3244 PWs) bands (ev): -30.2426 -30.2426 -30.2426 -30.2426 -11.3897 -11.3897 -11.3875 -11.3875 -10.0679 -10.0679 -10.0650 -10.0650 -9.8884 -9.8884 -9.8881 -9.8881 -2.5228 -2.5228 -2.5195 -2.5195 0.3106 0.3106 0.3330 0.3330 2.7360 2.7360 2.7565 2.7565 6.0230 6.0230 6.0231 6.0231 6.8513 6.8513 6.8514 6.8514 7.5363 7.5363 7.5364 7.5364 8.9724 8.9724 8.9737 8.9737 9.9288 9.9288 9.9347 9.9347 12.0461 12.0461 12.0485 12.0485 14.7542 14.7542 14.7574 14.7574 15.9611 15.9611 15.9690 15.9690 k = 0.0000 0.5000 0.4345 ( 3240 PWs) bands (ev): -30.2416 -30.2416 -30.2416 -30.2416 -11.3945 -11.3945 -11.3924 -11.3924 -10.0768 -10.0768 -10.0739 -10.0739 -9.8844 -9.8844 -9.8842 -9.8842 -2.5119 -2.5119 -2.5087 -2.5087 0.3102 0.3102 0.3323 0.3323 2.7496 2.7496 2.7696 2.7696 6.0058 6.0058 6.0058 6.0058 6.8050 6.8050 6.8050 6.8050 7.5440 7.5440 7.5443 7.5443 8.9783 8.9783 8.9802 8.9802 9.8986 9.8986 9.9040 9.9040 11.9613 11.9613 11.9638 11.9638 14.8792 14.8792 14.8826 14.8826 15.9838 15.9838 15.9932 15.9932 k = 0.0000 0.5000 0.4512 ( 3240 PWs) bands (ev): -30.2405 -30.2405 -30.2405 -30.2405 -11.3993 -11.3993 -11.3972 -11.3972 -10.0854 -10.0854 -10.0825 -10.0825 -9.8805 -9.8805 -9.8803 -9.8803 -2.5014 -2.5014 -2.4982 -2.4982 0.3098 0.3098 0.3314 0.3314 2.7631 2.7631 2.7827 2.7827 5.9901 5.9901 5.9901 5.9901 6.7584 6.7584 6.7585 6.7585 7.5523 7.5523 7.5529 7.5529 8.9852 8.9852 8.9878 8.9878 9.8677 9.8677 9.8727 9.8727 11.8797 11.8797 11.8823 11.8823 15.0056 15.0056 15.0091 15.0091 16.0043 16.0043 16.0151 16.0151 k = 0.0000 0.5000 0.4679 ( 3256 PWs) bands (ev): -30.2395 -30.2395 -30.2395 -30.2395 -11.4041 -11.4041 -11.4021 -11.4021 -10.0936 -10.0936 -10.0907 -10.0907 -9.8767 -9.8767 -9.8766 -9.8766 -2.4911 -2.4911 -2.4880 -2.4880 0.3092 0.3092 0.3302 0.3302 2.7766 2.7766 2.7956 2.7956 5.9760 5.9760 5.9761 5.9761 6.7120 6.7120 6.7122 6.7122 7.5610 7.5610 7.5619 7.5619 8.9930 8.9930 8.9963 8.9963 9.8363 9.8363 9.8407 9.8407 11.8015 11.8015 11.8043 11.8043 15.1328 15.1328 15.1365 15.1365 16.0230 16.0230 16.0353 16.0353 k = 0.0000 0.5000 0.4846 ( 3254 PWs) bands (ev): -30.2385 -30.2385 -30.2385 -30.2385 -11.4088 -11.4088 -11.4069 -11.4069 -10.1014 -10.1014 -10.0986 -10.0986 -9.8730 -9.8730 -9.8729 -9.8729 -2.4813 -2.4813 -2.4782 -2.4782 0.3086 0.3086 0.3288 0.3288 2.7899 2.7899 2.8082 2.8082 5.9638 5.9638 5.9638 5.9638 6.6658 6.6658 6.6661 6.6661 7.5700 7.5700 7.5712 7.5712 9.0019 9.0019 9.0058 9.0058 9.8044 9.8044 9.8082 9.8082 11.7269 11.7269 11.7297 11.7297 15.2607 15.2607 15.2645 15.2645 16.0407 16.0407 16.0544 16.0544 k = 0.0000 0.5000 0.5013 ( 3258 PWs) bands (ev): -30.2375 -30.2375 -30.2375 -30.2375 -11.4136 -11.4136 -11.4117 -11.4117 -10.1087 -10.1087 -10.1060 -10.1060 -9.8694 -9.8694 -9.8693 -9.8693 -2.4718 -2.4718 -2.4688 -2.4688 0.3079 0.3079 0.3273 0.3273 2.8030 2.8030 2.8205 2.8205 5.9534 5.9534 5.9535 5.9535 6.6201 6.6201 6.6204 6.6204 7.5793 7.5793 7.5807 7.5807 9.0117 9.0117 9.0163 9.0163 9.7722 9.7722 9.7754 9.7754 11.6561 11.6561 11.6589 11.6589 15.3886 15.3886 15.3924 15.3924 16.0577 16.0577 16.0729 16.0729 k = 0.0000 0.5000 0.5180 ( 3258 PWs) bands (ev): -30.2366 -30.2366 -30.2366 -30.2366 -11.4182 -11.4182 -11.4164 -11.4164 -10.1156 -10.1156 -10.1130 -10.1130 -9.8659 -9.8659 -9.8658 -9.8658 -2.4628 -2.4628 -2.4599 -2.4599 0.3071 0.3071 0.3256 0.3256 2.8158 2.8158 2.8324 2.8324 5.9450 5.9450 5.9451 5.9451 6.5751 6.5751 6.5753 6.5753 7.5886 7.5886 7.5902 7.5902 9.0226 9.0226 9.0278 9.0278 9.7397 9.7397 9.7423 9.7423 11.5890 11.5890 11.5919 11.5919 15.5159 15.5159 15.5196 15.5196 16.0746 16.0746 16.0915 16.0915 k = 0.0000 0.5000 0.5347 ( 3258 PWs) bands (ev): -30.2357 -30.2357 -30.2357 -30.2357 -11.4226 -11.4226 -11.4209 -11.4209 -10.1221 -10.1221 -10.1196 -10.1196 -9.8626 -9.8626 -9.8625 -9.8625 -2.4542 -2.4542 -2.4514 -2.4514 0.3063 0.3063 0.3239 0.3239 2.8281 2.8281 2.8438 2.8438 5.9387 5.9387 5.9388 5.9388 6.5307 6.5307 6.5310 6.5310 7.5980 7.5980 7.5997 7.5997 9.0345 9.0345 9.0403 9.0403 9.7070 9.7070 9.7089 9.7089 11.5260 11.5260 11.5289 11.5289 15.6419 15.6419 15.6450 15.6450 16.0917 16.0917 16.1109 16.1109 k = 0.0000 0.5000 0.5514 ( 3258 PWs) bands (ev): -30.2349 -30.2349 -30.2349 -30.2349 -11.4269 -11.4269 -11.4253 -11.4253 -10.1280 -10.1280 -10.1257 -10.1257 -9.8595 -9.8595 -9.8594 -9.8594 -2.4461 -2.4461 -2.4435 -2.4435 0.3055 0.3055 0.3220 0.3220 2.8400 2.8400 2.8547 2.8547 5.9346 5.9346 5.9347 5.9347 6.4872 6.4872 6.4875 6.4875 7.6072 7.6072 7.6090 7.6090 9.0474 9.0474 9.0537 9.0537 9.6743 9.6743 9.6755 9.6755 11.4671 11.4671 11.4699 11.4699 15.7654 15.7654 15.7671 15.7671 16.1095 16.1095 16.1319 16.1319 k = 0.0000 0.5000 0.5682 ( 3258 PWs) bands (ev): -30.2341 -30.2341 -30.2341 -30.2341 -11.4310 -11.4310 -11.4295 -11.4295 -10.1335 -10.1335 -10.1313 -10.1313 -9.8565 -9.8565 -9.8564 -9.8564 -2.4386 -2.4386 -2.4361 -2.4361 0.3047 0.3047 0.3201 0.3201 2.8513 2.8513 2.8650 2.8650 5.9326 5.9326 5.9327 5.9327 6.4447 6.4447 6.4450 6.4450 7.6163 7.6163 7.6181 7.6181 9.0614 9.0614 9.0681 9.0681 9.6417 9.6417 9.6422 9.6422 11.4125 11.4125 11.4152 11.4152 15.8837 15.8837 15.8850 15.8850 16.1282 16.1282 16.1557 16.1557 k = 0.0000 0.5000 0.5849 ( 3246 PWs) bands (ev): -30.2334 -30.2334 -30.2334 -30.2334 -11.4349 -11.4349 -11.4335 -11.4335 -10.1385 -10.1385 -10.1365 -10.1365 -9.8537 -9.8537 -9.8537 -9.8537 -2.4316 -2.4316 -2.4293 -2.4293 0.3040 0.3040 0.3182 0.3182 2.8619 2.8619 2.8745 2.8745 5.9329 5.9329 5.9330 5.9330 6.4034 6.4034 6.4037 6.4037 7.6250 7.6250 7.6268 7.6268 9.0763 9.0763 9.0834 9.0834 9.6089 9.6089 9.6092 9.6092 11.3622 11.3622 11.3648 11.3648 15.9905 15.9905 15.9989 15.9989 16.1485 16.1485 16.1853 16.1853 k = 0.0000 0.5000 0.6016 ( 3252 PWs) bands (ev): -30.2327 -30.2327 -30.2327 -30.2327 -11.4385 -11.4385 -11.4372 -11.4372 -10.1431 -10.1431 -10.1412 -10.1412 -9.8512 -9.8512 -9.8511 -9.8511 -2.4252 -2.4252 -2.4231 -2.4231 0.3033 0.3033 0.3163 0.3163 2.8718 2.8718 2.8833 2.8833 5.9354 5.9354 5.9355 5.9355 6.3633 6.3633 6.3636 6.3636 7.6332 7.6332 7.6351 7.6351 9.0923 9.0923 9.0997 9.0997 9.5760 9.5760 9.5770 9.5770 11.3163 11.3163 11.3188 11.3188 16.0797 16.0797 16.1029 16.1029 16.1724 16.1724 16.2263 16.2263 k = 0.0000 0.5000 0.6183 ( 3254 PWs) bands (ev): -30.2321 -30.2321 -30.2321 -30.2321 -11.4418 -11.4418 -11.4406 -11.4406 -10.1471 -10.1471 -10.1454 -10.1454 -9.8489 -9.8489 -9.8488 -9.8488 -2.4195 -2.4195 -2.4176 -2.4176 0.3028 0.3028 0.3144 0.3144 2.8810 2.8810 2.8913 2.8913 5.9401 5.9401 5.9403 5.9403 6.3246 6.3246 6.3248 6.3248 7.6410 7.6410 7.6427 7.6427 9.1092 9.1092 9.1168 9.1168 9.5436 9.5436 9.5453 9.5453 11.2750 11.2750 11.2773 11.2773 16.1429 16.1429 16.1758 16.1758 16.2183 16.2183 16.2841 16.2841 k = 0.0000 0.5000 0.6350 ( 3250 PWs) bands (ev): -30.2316 -30.2316 -30.2316 -30.2316 -11.4447 -11.4447 -11.4437 -11.4437 -10.1506 -10.1506 -10.1491 -10.1491 -9.8468 -9.8468 -9.8468 -9.8468 -2.4143 -2.4143 -2.4126 -2.4126 0.3023 0.3023 0.3126 0.3126 2.8893 2.8893 2.8984 2.8984 5.9471 5.9471 5.9473 5.9473 6.2874 6.2874 6.2876 6.2876 7.6481 7.6481 7.6498 7.6498 9.1271 9.1271 9.1348 9.1348 9.5117 9.5117 9.5141 9.5141 11.2384 11.2384 11.2405 11.2405 16.1853 16.1853 16.2067 16.2067 16.2934 16.2934 16.3491 16.3491 k = 0.0000 0.5000 0.6517 ( 3238 PWs) bands (ev): -30.2311 -30.2311 -30.2311 -30.2311 -11.4473 -11.4473 -11.4465 -11.4465 -10.1536 -10.1536 -10.1523 -10.1523 -9.8450 -9.8450 -9.8449 -9.8449 -2.4098 -2.4098 -2.4083 -2.4083 0.3019 0.3019 0.3108 0.3108 2.8967 2.8967 2.9045 2.9045 5.9563 5.9563 5.9564 5.9564 6.2519 6.2519 6.2521 6.2521 7.6545 7.6545 7.6560 7.6560 9.1459 9.1459 9.1536 9.1536 9.4806 9.4806 9.4836 9.4836 11.2065 11.2065 11.2084 11.2084 16.2183 16.2183 16.2325 16.2325 16.3571 16.3571 16.4051 16.4051 k = 0.0000 0.5000 0.6684 ( 3242 PWs) bands (ev): -30.2307 -30.2307 -30.2307 -30.2307 -11.4496 -11.4496 -11.4488 -11.4488 -10.1562 -10.1562 -10.1551 -10.1551 -9.8434 -9.8434 -9.8434 -9.8434 -2.4059 -2.4059 -2.4047 -2.4047 0.3017 0.3017 0.3092 0.3092 2.9032 2.9032 2.9097 2.9097 5.9676 5.9676 5.9677 5.9677 6.2182 6.2182 6.2184 6.2184 7.6602 7.6602 7.6615 7.6615 9.1654 9.1654 9.1730 9.1730 9.4505 9.4505 9.4541 9.4541 11.1795 11.1795 11.1810 11.1810 16.2479 16.2479 16.2583 16.2583 16.4012 16.4012 16.4422 16.4422 k = 0.0000 0.5000 0.6851 ( 3242 PWs) bands (ev): -30.2303 -30.2303 -30.2303 -30.2303 -11.4514 -11.4514 -11.4508 -11.4508 -10.1582 -10.1582 -10.1574 -10.1574 -9.8421 -9.8421 -9.8421 -9.8421 -2.4027 -2.4027 -2.4017 -2.4017 0.3017 0.3017 0.3077 0.3077 2.9086 2.9086 2.9139 2.9139 5.9807 5.9807 5.9808 5.9808 6.1866 6.1866 6.1867 6.1867 7.6649 7.6649 7.6660 7.6660 9.1854 9.1854 9.1928 9.1928 9.4218 9.4218 9.4259 9.4259 11.1573 11.1573 11.1585 11.1585 16.2761 16.2761 16.2847 16.2847 16.4252 16.4252 16.4586 16.4586 k = 0.0000 0.5000 0.7018 ( 3234 PWs) bands (ev): -30.2300 -30.2300 -30.2300 -30.2300 -11.4529 -11.4529 -11.4524 -11.4524 -10.1598 -10.1598 -10.1592 -10.1592 -9.8411 -9.8411 -9.8411 -9.8411 -2.4001 -2.4001 -2.3994 -2.3994 0.3018 0.3018 0.3063 0.3063 2.9131 2.9131 2.9170 2.9170 5.9954 5.9954 5.9955 5.9955 6.1575 6.1575 6.1576 6.1576 7.6687 7.6687 7.6695 7.6695 9.2055 9.2055 9.2123 9.2123 9.3951 9.3951 9.3994 9.3994 11.1400 11.1400 11.1409 11.1409 16.3033 16.3033 16.3112 16.3112 16.4322 16.4322 16.4582 16.4582 k = 0.0000 0.5000 0.7186 ( 3238 PWs) bands (ev): -30.2299 -30.2299 -30.2299 -30.2299 -11.4539 -11.4539 -11.4536 -11.4536 -10.1609 -10.1609 -10.1605 -10.1605 -9.8404 -9.8404 -9.8404 -9.8404 -2.3983 -2.3983 -2.3978 -2.3978 0.3021 0.3021 0.3051 0.3051 2.9164 2.9164 2.9191 2.9191 6.0108 6.0108 6.0108 6.0108 6.1319 6.1319 6.1319 6.1319 7.6715 7.6715 7.6721 7.6721 9.2246 9.2246 9.2304 9.2304 9.3717 9.3717 9.3758 9.3758 11.1276 11.1276 11.1283 11.1283 16.3294 16.3294 16.3371 16.3371 16.4273 16.4273 16.4466 16.4466 k = 0.0000 0.5000 0.7353 ( 3230 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4545 -11.4545 -11.4543 -11.4543 -10.1615 -10.1615 -10.1613 -10.1613 -9.8400 -9.8400 -9.8399 -9.8399 -2.3971 -2.3971 -2.3969 -2.3969 0.3026 0.3026 0.3041 0.3041 2.9187 2.9187 2.9201 2.9201 6.0245 6.0245 6.0246 6.0246 6.1119 6.1119 6.1119 6.1119 7.6732 7.6732 7.6735 7.6735 9.2406 9.2406 9.2442 9.2442 9.3546 9.3546 9.3574 9.3574 11.1203 11.1203 11.1206 11.1206 16.3526 16.3526 16.3594 16.3594 16.4171 16.4171 16.4295 16.4295 k = 0.0000 0.5000 0.7520 ( 3220 PWs) bands (ev): -30.2297 -30.2297 -30.2297 -30.2297 -11.4546 -11.4546 -11.4546 -11.4546 -10.1616 -10.1616 -10.1616 -10.1616 -9.8398 -9.8398 -9.8398 -9.8398 -2.3966 -2.3966 -2.3966 -2.3966 0.3033 0.3033 0.3033 0.3033 2.9200 2.9200 2.9200 2.9200 6.0309 6.0309 6.0309 6.0309 6.1036 6.1036 6.1036 6.1036 7.6739 7.6739 7.6739 7.6739 9.2485 9.2485 9.2485 9.2485 9.3489 9.3489 9.3489 9.3489 11.1180 11.1180 11.1180 11.1180 16.3670 16.3670 16.3670 16.3670 16.4151 16.4151 16.4151 16.4151 k = 0.5000 0.5000-0.0000 ( 3164 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3397 -11.3397 -11.3397 -11.3397 -10.0250 -10.0250 -10.0250 -10.0250 -9.8020 -9.8020 -9.8020 -9.8020 -2.2698 -2.2698 -2.2698 -2.2698 -0.8367 -0.8367 -0.8367 -0.8367 4.0587 4.0587 4.0587 4.0587 5.7575 5.7575 5.7575 5.7575 7.5500 7.5500 7.5500 7.5500 7.6055 7.6055 7.6055 7.6055 8.2808 8.2808 8.2808 8.2808 10.7422 10.7422 10.7422 10.7422 12.3746 12.3746 12.3746 12.3746 15.5707 15.5707 15.5707 15.5707 16.1311 16.1311 16.1311 16.1311 k = 0.5000 0.5000 0.0167 ( 3172 PWs) bands (ev): -30.2607 -30.2607 -30.2607 -30.2607 -11.3398 -11.3398 -11.3398 -11.3398 -10.0251 -10.0251 -10.0251 -10.0251 -9.8023 -9.8023 -9.8023 -9.8023 -2.2701 -2.2701 -2.2701 -2.2701 -0.8355 -0.8355 -0.8355 -0.8355 4.0584 4.0584 4.0584 4.0584 5.7582 5.7582 5.7582 5.7582 7.5492 7.5492 7.5492 7.5492 7.6039 7.6039 7.6039 7.6039 8.2817 8.2817 8.2817 8.2817 10.7352 10.7352 10.7352 10.7352 12.3796 12.3796 12.3796 12.3796 15.5739 15.5739 15.5739 15.5739 16.1229 16.1229 16.1230 16.1230 k = 0.5000 0.5000 0.0334 ( 3188 PWs) bands (ev): -30.2606 -30.2606 -30.2606 -30.2606 -11.3400 -11.3400 -11.3400 -11.3400 -10.0253 -10.0253 -10.0253 -10.0253 -9.8030 -9.8030 -9.8030 -9.8030 -2.2710 -2.2710 -2.2710 -2.2710 -0.8320 -0.8320 -0.8320 -0.8320 4.0575 4.0575 4.0575 4.0575 5.7601 5.7601 5.7601 5.7601 7.5467 7.5467 7.5467 7.5467 7.5990 7.5990 7.5990 7.5990 8.2843 8.2843 8.2843 8.2843 10.7142 10.7142 10.7142 10.7142 12.3944 12.3944 12.3944 12.3944 15.5836 15.5836 15.5836 15.5836 16.0951 16.0951 16.0951 16.0951 k = 0.5000 0.5000 0.0501 ( 3192 PWs) bands (ev): -30.2604 -30.2604 -30.2604 -30.2604 -11.3404 -11.3404 -11.3404 -11.3404 -10.0256 -10.0256 -10.0256 -10.0256 -9.8043 -9.8043 -9.8043 -9.8043 -2.2723 -2.2723 -2.2723 -2.2723 -0.8263 -0.8263 -0.8263 -0.8263 4.0560 4.0560 4.0560 4.0560 5.7632 5.7632 5.7632 5.7632 7.5425 7.5425 7.5425 7.5425 7.5909 7.5909 7.5909 7.5909 8.2886 8.2886 8.2886 8.2886 10.6803 10.6803 10.6803 10.6803 12.4184 12.4184 12.4184 12.4184 15.5995 15.5995 15.5995 15.5995 16.0420 16.0420 16.0420 16.0420 k = 0.5000 0.5000 0.0668 ( 3192 PWs) bands (ev): -30.2601 -30.2601 -30.2601 -30.2601 -11.3410 -11.3410 -11.3410 -11.3410 -10.0261 -10.0261 -10.0261 -10.0261 -9.8060 -9.8060 -9.8060 -9.8060 -2.2743 -2.2743 -2.2743 -2.2743 -0.8182 -0.8182 -0.8182 -0.8182 4.0539 4.0539 4.0539 4.0539 5.7676 5.7676 5.7676 5.7676 7.5366 7.5366 7.5366 7.5366 7.5798 7.5798 7.5798 7.5798 8.2947 8.2947 8.2947 8.2947 10.6344 10.6344 10.6344 10.6344 12.4506 12.4506 12.4506 12.4506 15.6217 15.6217 15.6217 15.6217 15.9656 15.9656 15.9656 15.9656 k = 0.5000 0.5000 0.0836 ( 3200 PWs) bands (ev): -30.2598 -30.2598 -30.2598 -30.2598 -11.3417 -11.3417 -11.3417 -11.3417 -10.0267 -10.0267 -10.0267 -10.0267 -9.8081 -9.8081 -9.8081 -9.8081 -2.2767 -2.2767 -2.2767 -2.2767 -0.8079 -0.8079 -0.8079 -0.8079 4.0512 4.0512 4.0512 4.0512 5.7733 5.7733 5.7733 5.7733 7.5290 7.5290 7.5290 7.5290 7.5658 7.5658 7.5658 7.5658 8.3024 8.3024 8.3024 8.3024 10.5780 10.5780 10.5780 10.5780 12.4897 12.4897 12.4897 12.4897 15.6498 15.6498 15.6498 15.6498 15.8738 15.8738 15.8738 15.8738 k = 0.5000 0.5000 0.1003 ( 3200 PWs) bands (ev): -30.2594 -30.2594 -30.2594 -30.2594 -11.3426 -11.3426 -11.3426 -11.3426 -10.0276 -10.0276 -10.0276 -10.0276 -9.8106 -9.8106 -9.8106 -9.8106 -2.2797 -2.2797 -2.2797 -2.2797 -0.7954 -0.7954 -0.7954 -0.7954 4.0479 4.0479 4.0479 4.0479 5.7801 5.7801 5.7801 5.7801 7.5195 7.5195 7.5195 7.5195 7.5491 7.5491 7.5491 7.5491 8.3117 8.3117 8.3117 8.3117 10.5125 10.5125 10.5125 10.5125 12.5348 12.5348 12.5348 12.5348 15.6824 15.6824 15.6824 15.6824 15.7749 15.7749 15.7749 15.7749 k = 0.5000 0.5000 0.1170 ( 3200 PWs) bands (ev): -30.2589 -30.2589 -30.2589 -30.2589 -11.3437 -11.3437 -11.3437 -11.3437 -10.0287 -10.0287 -10.0287 -10.0287 -9.8134 -9.8134 -9.8134 -9.8134 -2.2831 -2.2831 -2.2831 -2.2831 -0.7808 -0.7808 -0.7808 -0.7808 4.0442 4.0442 4.0442 4.0442 5.7882 5.7882 5.7882 5.7882 7.5076 7.5076 7.5076 7.5076 7.5306 7.5306 7.5306 7.5306 8.3227 8.3227 8.3227 8.3227 10.4393 10.4393 10.4393 10.4393 12.5847 12.5847 12.5847 12.5847 15.6611 15.6611 15.6611 15.6611 15.7311 15.7311 15.7311 15.7311 k = 0.5000 0.5000 0.1337 ( 3208 PWs) bands (ev): -30.2584 -30.2584 -30.2584 -30.2584 -11.3450 -11.3450 -11.3450 -11.3450 -10.0300 -10.0300 -10.0300 -10.0300 -9.8164 -9.8164 -9.8164 -9.8164 -2.2871 -2.2871 -2.2871 -2.2871 -0.7641 -0.7641 -0.7641 -0.7641 4.0400 4.0400 4.0400 4.0400 5.7974 5.7974 5.7974 5.7974 7.4921 7.4921 7.4921 7.4921 7.5117 7.5117 7.5117 7.5117 8.3351 8.3351 8.3351 8.3351 10.3596 10.3596 10.3596 10.3596 12.6385 12.6385 12.6385 12.6385 15.5565 15.5565 15.5565 15.5565 15.7740 15.7740 15.7740 15.7740 k = 0.5000 0.5000 0.1504 ( 3200 PWs) bands (ev): -30.2578 -30.2578 -30.2578 -30.2578 -11.3464 -11.3464 -11.3464 -11.3464 -10.0317 -10.0317 -10.0317 -10.0317 -9.8196 -9.8196 -9.8196 -9.8196 -2.2916 -2.2916 -2.2916 -2.2916 -0.7454 -0.7454 -0.7454 -0.7454 4.0354 4.0354 4.0354 4.0354 5.8078 5.8078 5.8078 5.8078 7.4712 7.4712 7.4712 7.4712 7.4942 7.4942 7.4942 7.4942 8.3490 8.3490 8.3490 8.3490 10.2746 10.2746 10.2746 10.2746 12.6955 12.6955 12.6955 12.6955 15.4487 15.4487 15.4487 15.4487 15.8250 15.8250 15.8250 15.8250 k = 0.5000 0.5000 0.1671 ( 3208 PWs) bands (ev): -30.2571 -30.2571 -30.2571 -30.2571 -11.3480 -11.3480 -11.3480 -11.3480 -10.0337 -10.0337 -10.0337 -10.0337 -9.8228 -9.8228 -9.8228 -9.8228 -2.2965 -2.2965 -2.2965 -2.2965 -0.7248 -0.7248 -0.7248 -0.7248 4.0303 4.0303 4.0303 4.0303 5.8193 5.8193 5.8193 5.8193 7.4456 7.4456 7.4456 7.4456 7.4780 7.4780 7.4780 7.4780 8.3642 8.3642 8.3642 8.3642 10.1852 10.1852 10.1852 10.1852 12.7548 12.7548 12.7548 12.7548 15.3409 15.3409 15.3409 15.3409 15.8815 15.8815 15.8815 15.8815 k = 0.5000 0.5000 0.1838 ( 3216 PWs) bands (ev): -30.2564 -30.2564 -30.2564 -30.2564 -11.3499 -11.3499 -11.3499 -11.3499 -10.0360 -10.0360 -10.0360 -10.0360 -9.8260 -9.8260 -9.8260 -9.8260 -2.3019 -2.3019 -2.3019 -2.3019 -0.7024 -0.7024 -0.7024 -0.7024 4.0250 4.0250 4.0250 4.0250 5.8318 5.8318 5.8318 5.8318 7.4167 7.4167 7.4167 7.4167 7.4617 7.4617 7.4617 7.4617 8.3807 8.3807 8.3807 8.3807 10.0923 10.0923 10.0923 10.0923 12.8160 12.8160 12.8160 12.8160 15.2344 15.2344 15.2344 15.2344 15.9431 15.9431 15.9431 15.9431 k = 0.5000 0.5000 0.2005 ( 3232 PWs) bands (ev): -30.2556 -30.2556 -30.2556 -30.2556 -11.3519 -11.3519 -11.3519 -11.3519 -10.0388 -10.0388 -10.0388 -10.0388 -9.8291 -9.8291 -9.8291 -9.8291 -2.3077 -2.3077 -2.3077 -2.3077 -0.6782 -0.6782 -0.6782 -0.6782 4.0193 4.0193 4.0193 4.0193 5.8454 5.8454 5.8454 5.8454 7.3855 7.3855 7.3855 7.3855 7.4447 7.4447 7.4447 7.4447 8.3984 8.3984 8.3984 8.3984 9.9967 9.9967 9.9967 9.9967 12.8783 12.8783 12.8783 12.8783 15.1302 15.1302 15.1302 15.1302 16.0092 16.0092 16.0092 16.0092 k = 0.5000 0.5000 0.2172 ( 3232 PWs) bands (ev): -30.2548 -30.2548 -30.2548 -30.2548 -11.3541 -11.3541 -11.3541 -11.3541 -10.0421 -10.0421 -10.0421 -10.0421 -9.8319 -9.8319 -9.8319 -9.8319 -2.3139 -2.3139 -2.3139 -2.3139 -0.6525 -0.6525 -0.6525 -0.6525 4.0134 4.0134 4.0134 4.0134 5.8600 5.8600 5.8600 5.8600 7.3523 7.3523 7.3523 7.3523 7.4269 7.4269 7.4269 7.4269 8.4171 8.4171 8.4171 8.4171 9.8991 9.8991 9.8991 9.8991 12.9410 12.9410 12.9410 12.9410 15.0292 15.0292 15.0292 15.0292 16.0783 16.0783 16.0783 16.0783 k = 0.5000 0.5000 0.2339 ( 3228 PWs) bands (ev): -30.2539 -30.2539 -30.2539 -30.2539 -11.3566 -11.3566 -11.3566 -11.3566 -10.0458 -10.0458 -10.0458 -10.0458 -9.8346 -9.8346 -9.8346 -9.8346 -2.3205 -2.3205 -2.3205 -2.3205 -0.6252 -0.6252 -0.6252 -0.6252 4.0073 4.0073 4.0073 4.0073 5.8755 5.8755 5.8755 5.8755 7.3176 7.3176 7.3176 7.3176 7.4083 7.4083 7.4083 7.4083 8.4367 8.4367 8.4367 8.4367 9.8001 9.8001 9.8001 9.8001 13.0035 13.0035 13.0035 13.0035 14.9324 14.9324 14.9324 14.9324 16.0680 16.0680 16.0680 16.0680 k = 0.5000 0.5000 0.2507 ( 3228 PWs) bands (ev): -30.2530 -30.2530 -30.2530 -30.2530 -11.3592 -11.3592 -11.3592 -11.3592 -10.0499 -10.0499 -10.0499 -10.0499 -9.8368 -9.8368 -9.8368 -9.8368 -2.3275 -2.3275 -2.3275 -2.3275 -0.5966 -0.5966 -0.5966 -0.5966 4.0011 4.0011 4.0011 4.0011 5.8919 5.8919 5.8919 5.8919 7.2816 7.2816 7.2816 7.2816 7.3889 7.3889 7.3889 7.3889 8.4570 8.4570 8.4570 8.4570 9.7004 9.7004 9.7004 9.7004 13.0646 13.0646 13.0646 13.0646 14.8411 14.8411 14.8411 14.8411 16.0337 16.0337 16.0337 16.0337 k = 0.5000 0.5000 0.2674 ( 3240 PWs) bands (ev): -30.2521 -30.2521 -30.2521 -30.2521 -11.3620 -11.3620 -11.3620 -11.3620 -10.0546 -10.0546 -10.0546 -10.0546 -9.8387 -9.8387 -9.8387 -9.8387 -2.3348 -2.3348 -2.3348 -2.3348 -0.5667 -0.5667 -0.5667 -0.5667 3.9948 3.9948 3.9948 3.9948 5.9092 5.9092 5.9092 5.9092 7.2445 7.2445 7.2445 7.2445 7.3688 7.3688 7.3688 7.3688 8.4779 8.4779 8.4779 8.4779 9.6003 9.6003 9.6003 9.6003 13.1231 13.1231 13.1231 13.1231 14.7568 14.7568 14.7568 14.7568 16.0009 16.0009 16.0009 16.0009 k = 0.5000 0.5000 0.2841 ( 3240 PWs) bands (ev): -30.2511 -30.2511 -30.2511 -30.2511 -11.3651 -11.3651 -11.3651 -11.3651 -10.0596 -10.0596 -10.0596 -10.0596 -9.8402 -9.8402 -9.8402 -9.8402 -2.3423 -2.3423 -2.3423 -2.3423 -0.5357 -0.5357 -0.5357 -0.5357 3.9884 3.9884 3.9884 3.9884 5.9272 5.9272 5.9272 5.9272 7.2066 7.2066 7.2066 7.2066 7.3481 7.3481 7.3481 7.3481 8.4991 8.4991 8.4991 8.4991 9.5006 9.5006 9.5006 9.5006 13.1773 13.1773 13.1773 13.1773 14.6814 14.6814 14.6814 14.6814 15.9698 15.9698 15.9698 15.9698 k = 0.5000 0.5000 0.3008 ( 3240 PWs) bands (ev): -30.2500 -30.2500 -30.2500 -30.2500 -11.3683 -11.3683 -11.3683 -11.3683 -10.0651 -10.0651 -10.0651 -10.0651 -9.8413 -9.8413 -9.8413 -9.8413 -2.3502 -2.3502 -2.3502 -2.3502 -0.5037 -0.5037 -0.5037 -0.5037 3.9821 3.9821 3.9821 3.9821 5.9459 5.9459 5.9459 5.9459 7.1680 7.1680 7.1680 7.1680 7.3268 7.3268 7.3268 7.3268 8.5203 8.5203 8.5203 8.5203 9.4017 9.4017 9.4017 9.4017 13.2251 13.2251 13.2251 13.2251 14.6174 14.6174 14.6174 14.6174 15.9408 15.9408 15.9408 15.9408 k = 0.5000 0.5000 0.3175 ( 3248 PWs) bands (ev): -30.2490 -30.2490 -30.2490 -30.2490 -11.3717 -11.3717 -11.3717 -11.3717 -10.0709 -10.0709 -10.0709 -10.0709 -9.8420 -9.8420 -9.8420 -9.8420 -2.3583 -2.3583 -2.3583 -2.3583 -0.4709 -0.4709 -0.4709 -0.4709 3.9758 3.9758 3.9758 3.9758 5.9653 5.9653 5.9653 5.9653 7.1291 7.1291 7.1291 7.1291 7.3051 7.3051 7.3051 7.3051 8.5410 8.5410 8.5410 8.5410 9.3044 9.3044 9.3044 9.3044 13.2640 13.2640 13.2640 13.2640 14.5673 14.5673 14.5673 14.5673 15.9139 15.9139 15.9139 15.9139 k = 0.5000 0.5000 0.3342 ( 3240 PWs) bands (ev): -30.2479 -30.2479 -30.2479 -30.2479 -11.3754 -11.3754 -11.3754 -11.3754 -10.0771 -10.0771 -10.0771 -10.0771 -9.8422 -9.8422 -9.8422 -9.8422 -2.3666 -2.3666 -2.3666 -2.3666 -0.4373 -0.4373 -0.4373 -0.4373 3.9697 3.9697 3.9697 3.9697 5.9852 5.9852 5.9852 5.9852 7.0900 7.0900 7.0900 7.0900 7.2830 7.2830 7.2830 7.2830 8.5608 8.5608 8.5608 8.5608 9.2096 9.2096 9.2096 9.2096 13.2912 13.2912 13.2912 13.2912 14.5342 14.5342 14.5342 14.5342 15.8893 15.8893 15.8893 15.8893 k = 0.5000 0.5000 0.3509 ( 3248 PWs) bands (ev): -30.2469 -30.2469 -30.2469 -30.2469 -11.3791 -11.3791 -11.3791 -11.3791 -10.0834 -10.0834 -10.0834 -10.0834 -9.8421 -9.8421 -9.8421 -9.8421 -2.3750 -2.3750 -2.3750 -2.3750 -0.4033 -0.4033 -0.4033 -0.4033 3.9636 3.9636 3.9636 3.9636 6.0056 6.0056 6.0056 6.0056 7.0509 7.0509 7.0509 7.0509 7.2606 7.2606 7.2606 7.2606 8.5784 8.5784 8.5784 8.5784 9.1183 9.1183 9.1183 9.1183 13.3045 13.3045 13.3045 13.3045 14.5206 14.5206 14.5206 14.5206 15.8671 15.8671 15.8671 15.8671 k = 0.5000 0.5000 0.3676 ( 3232 PWs) bands (ev): -30.2458 -30.2458 -30.2458 -30.2458 -11.3831 -11.3831 -11.3831 -11.3831 -10.0900 -10.0900 -10.0900 -10.0900 -9.8416 -9.8416 -9.8416 -9.8416 -2.3835 -2.3835 -2.3835 -2.3835 -0.3688 -0.3688 -0.3688 -0.3688 3.9578 3.9578 3.9578 3.9578 6.0265 6.0265 6.0265 6.0265 7.0120 7.0120 7.0120 7.0120 7.2382 7.2382 7.2382 7.2382 8.5920 8.5920 8.5920 8.5920 9.0328 9.0328 9.0328 9.0328 13.3027 13.3027 13.3027 13.3027 14.5279 14.5279 14.5279 14.5279 15.8474 15.8474 15.8474 15.8474 k = 0.5000 0.5000 0.3843 ( 3232 PWs) bands (ev): -30.2447 -30.2447 -30.2447 -30.2447 -11.3872 -11.3872 -11.3872 -11.3872 -10.0967 -10.0967 -10.0967 -10.0967 -9.8407 -9.8407 -9.8407 -9.8407 -2.3921 -2.3921 -2.3921 -2.3921 -0.3342 -0.3342 -0.3342 -0.3342 3.9522 3.9522 3.9522 3.9522 6.0477 6.0477 6.0477 6.0477 6.9735 6.9735 6.9735 6.9735 7.2156 7.2156 7.2156 7.2156 8.5983 8.5983 8.5983 8.5983 8.9565 8.9565 8.9565 8.9565 13.2859 13.2859 13.2859 13.2859 14.5560 14.5560 14.5560 14.5560 15.8302 15.8302 15.8302 15.8302 k = 0.5000 0.5000 0.4011 ( 3224 PWs) bands (ev): -30.2436 -30.2436 -30.2436 -30.2436 -11.3914 -11.3914 -11.3914 -11.3914 -10.1034 -10.1034 -10.1034 -10.1034 -9.8396 -9.8396 -9.8396 -9.8396 -2.4008 -2.4008 -2.4008 -2.4008 -0.2994 -0.2994 -0.2994 -0.2994 3.9468 3.9468 3.9468 3.9468 6.0691 6.0691 6.0691 6.0691 6.9355 6.9355 6.9355 6.9355 7.1931 7.1931 7.1931 7.1931 8.5914 8.5914 8.5914 8.5914 8.8954 8.8954 8.8954 8.8954 13.2560 13.2560 13.2560 13.2560 14.6032 14.6032 14.6032 14.6032 15.8156 15.8156 15.8156 15.8156 k = 0.5000 0.5000 0.4178 ( 3232 PWs) bands (ev): -30.2425 -30.2425 -30.2425 -30.2425 -11.3957 -11.3957 -11.3957 -11.3957 -10.1101 -10.1101 -10.1101 -10.1101 -9.8382 -9.8382 -9.8382 -9.8382 -2.4094 -2.4094 -2.4094 -2.4094 -0.2648 -0.2648 -0.2648 -0.2648 3.9417 3.9417 3.9417 3.9417 6.0907 6.0907 6.0907 6.0907 6.8982 6.8982 6.8982 6.8982 7.1708 7.1708 7.1708 7.1708 8.5645 8.5645 8.5645 8.5645 8.8564 8.8564 8.8564 8.8564 13.2155 13.2155 13.2155 13.2155 14.6670 14.6670 14.6670 14.6670 15.8037 15.8037 15.8037 15.8037 k = 0.5000 0.5000 0.4345 ( 3240 PWs) bands (ev): -30.2415 -30.2415 -30.2415 -30.2415 -11.4000 -11.4000 -11.4000 -11.4000 -10.1167 -10.1167 -10.1167 -10.1167 -9.8366 -9.8366 -9.8366 -9.8366 -2.4180 -2.4180 -2.4180 -2.4180 -0.2304 -0.2304 -0.2304 -0.2304 3.9368 3.9368 3.9368 3.9368 6.1124 6.1124 6.1124 6.1124 6.8618 6.8618 6.8618 6.8618 7.1487 7.1487 7.1487 7.1487 8.5167 8.5167 8.5167 8.5167 8.8405 8.8405 8.8405 8.8405 13.1673 13.1673 13.1673 13.1673 14.7449 14.7449 14.7449 14.7449 15.7945 15.7945 15.7945 15.7945 k = 0.5000 0.5000 0.4512 ( 3244 PWs) bands (ev): -30.2404 -30.2404 -30.2404 -30.2404 -11.4045 -11.4045 -11.4045 -11.4045 -10.1232 -10.1232 -10.1232 -10.1232 -9.8348 -9.8348 -9.8348 -9.8348 -2.4265 -2.4265 -2.4265 -2.4265 -0.1965 -0.1965 -0.1965 -0.1965 3.9323 3.9323 3.9323 3.9323 6.1340 6.1340 6.1340 6.1340 6.8265 6.8265 6.8265 6.8265 7.1270 7.1270 7.1270 7.1270 8.4548 8.4548 8.4548 8.4548 8.8412 8.8412 8.8412 8.8412 13.1138 13.1138 13.1138 13.1138 14.8343 14.8343 14.8343 14.8343 15.7879 15.7879 15.7879 15.7879 k = 0.5000 0.5000 0.4679 ( 3244 PWs) bands (ev): -30.2394 -30.2394 -30.2394 -30.2394 -11.4089 -11.4089 -11.4089 -11.4089 -10.1295 -10.1295 -10.1295 -10.1295 -9.8329 -9.8329 -9.8329 -9.8329 -2.4349 -2.4349 -2.4349 -2.4349 -0.1631 -0.1631 -0.1631 -0.1631 3.9281 3.9281 3.9281 3.9281 6.1555 6.1555 6.1555 6.1555 6.7923 6.7923 6.7923 6.7923 7.1057 7.1057 7.1057 7.1057 8.3862 8.3862 8.3862 8.3862 8.8510 8.8510 8.8510 8.8510 13.0572 13.0572 13.0572 13.0572 14.9332 14.9332 14.9332 14.9332 15.7841 15.7841 15.7841 15.7841 k = 0.5000 0.5000 0.4846 ( 3220 PWs) bands (ev): -30.2384 -30.2384 -30.2384 -30.2384 -11.4133 -11.4133 -11.4133 -11.4133 -10.1356 -10.1356 -10.1356 -10.1356 -9.8309 -9.8309 -9.8309 -9.8309 -2.4430 -2.4430 -2.4430 -2.4430 -0.1305 -0.1305 -0.1305 -0.1305 3.9242 3.9242 3.9242 3.9242 6.1767 6.1767 6.1767 6.1767 6.7593 6.7593 6.7593 6.7593 7.0851 7.0851 7.0851 7.0851 8.3155 8.3155 8.3155 8.3155 8.8656 8.8656 8.8656 8.8656 12.9990 12.9990 12.9990 12.9990 15.0400 15.0400 15.0400 15.0400 15.7829 15.7829 15.7829 15.7829 k = 0.5000 0.5000 0.5013 ( 3220 PWs) bands (ev): -30.2374 -30.2374 -30.2374 -30.2374 -11.4177 -11.4177 -11.4177 -11.4177 -10.1414 -10.1414 -10.1414 -10.1414 -9.8289 -9.8289 -9.8289 -9.8289 -2.4509 -2.4509 -2.4509 -2.4509 -0.0988 -0.0988 -0.0988 -0.0988 3.9206 3.9206 3.9206 3.9206 6.1976 6.1976 6.1976 6.1976 6.7278 6.7278 6.7278 6.7278 7.0650 7.0650 7.0650 7.0650 8.2451 8.2451 8.2451 8.2451 8.8824 8.8824 8.8824 8.8824 12.9407 12.9407 12.9407 12.9407 15.1532 15.1532 15.1532 15.1532 15.7843 15.7843 15.7843 15.7843 k = 0.5000 0.5000 0.5180 ( 3220 PWs) bands (ev): -30.2365 -30.2365 -30.2365 -30.2365 -11.4220 -11.4220 -11.4220 -11.4220 -10.1470 -10.1470 -10.1470 -10.1470 -9.8268 -9.8268 -9.8268 -9.8268 -2.4586 -2.4586 -2.4586 -2.4586 -0.0682 -0.0682 -0.0682 -0.0682 3.9173 3.9173 3.9173 3.9173 6.2180 6.2180 6.2180 6.2180 6.6978 6.6978 6.6978 6.6978 7.0458 7.0458 7.0458 7.0458 8.1765 8.1765 8.1765 8.1765 8.9003 8.9003 8.9003 8.9003 12.8832 12.8832 12.8832 12.8832 15.2718 15.2718 15.2718 15.2718 15.7883 15.7883 15.7883 15.7883 k = 0.5000 0.5000 0.5347 ( 3220 PWs) bands (ev): -30.2356 -30.2356 -30.2356 -30.2356 -11.4263 -11.4263 -11.4263 -11.4263 -10.1522 -10.1522 -10.1522 -10.1522 -9.8247 -9.8247 -9.8247 -9.8247 -2.4659 -2.4659 -2.4659 -2.4659 -0.0389 -0.0389 -0.0389 -0.0389 3.9144 3.9144 3.9144 3.9144 6.2378 6.2378 6.2378 6.2378 6.6695 6.6695 6.6695 6.6695 7.0274 7.0274 7.0274 7.0274 8.1105 8.1105 8.1105 8.1105 8.9184 8.9184 8.9184 8.9184 12.8273 12.8273 12.8273 12.8273 15.3949 15.3949 15.3949 15.3949 15.7948 15.7948 15.7948 15.7948 k = 0.5000 0.5000 0.5514 ( 3220 PWs) bands (ev): -30.2348 -30.2348 -30.2348 -30.2348 -11.4303 -11.4303 -11.4303 -11.4303 -10.1571 -10.1571 -10.1571 -10.1571 -9.8227 -9.8227 -9.8227 -9.8227 -2.4729 -2.4729 -2.4729 -2.4729 -0.0110 -0.0110 -0.0110 -0.0110 3.9117 3.9117 3.9117 3.9117 6.2570 6.2570 6.2570 6.2570 6.6428 6.6428 6.6428 6.6428 7.0099 7.0099 7.0099 7.0099 8.0478 8.0478 8.0478 8.0478 8.9362 8.9362 8.9362 8.9362 12.7737 12.7737 12.7737 12.7737 15.5215 15.5215 15.5215 15.5215 15.8036 15.8036 15.8036 15.8036 k = 0.5000 0.5000 0.5682 ( 3220 PWs) bands (ev): -30.2340 -30.2340 -30.2340 -30.2340 -11.4342 -11.4342 -11.4342 -11.4342 -10.1616 -10.1616 -10.1616 -10.1616 -9.8207 -9.8207 -9.8207 -9.8207 -2.4795 -2.4795 -2.4795 -2.4795 0.0153 0.0153 0.0153 0.0153 3.9093 3.9093 3.9093 3.9093 6.2753 6.2753 6.2753 6.2753 6.6180 6.6180 6.6180 6.6180 6.9935 6.9935 6.9935 6.9935 7.9887 7.9887 7.9887 7.9887 8.9534 8.9534 8.9534 8.9534 12.7228 12.7228 12.7228 12.7228 15.6506 15.6506 15.6506 15.6506 15.8149 15.8149 15.8149 15.8149 k = 0.5000 0.5000 0.5849 ( 3228 PWs) bands (ev): -30.2333 -30.2333 -30.2333 -30.2333 -11.4379 -11.4379 -11.4379 -11.4379 -10.1658 -10.1658 -10.1658 -10.1658 -9.8188 -9.8188 -9.8188 -9.8188 -2.4857 -2.4857 -2.4857 -2.4857 0.0399 0.0399 0.0399 0.0399 3.9072 3.9072 3.9072 3.9072 6.2926 6.2926 6.2926 6.2926 6.5951 6.5951 6.5951 6.5951 6.9782 6.9782 6.9782 6.9782 7.9336 7.9336 7.9336 7.9336 8.9698 8.9698 8.9698 8.9698 12.6752 12.6752 12.6752 12.6752 15.7791 15.7791 15.7791 15.7791 15.8306 15.8306 15.8306 15.8306 k = 0.5000 0.5000 0.6016 ( 3216 PWs) bands (ev): -30.2326 -30.2326 -30.2326 -30.2326 -11.4413 -11.4413 -11.4413 -11.4413 -10.1695 -10.1695 -10.1695 -10.1695 -9.8170 -9.8170 -9.8170 -9.8170 -2.4914 -2.4914 -2.4914 -2.4914 0.0627 0.0627 0.0627 0.0627 3.9054 3.9054 3.9054 3.9054 6.3089 6.3089 6.3089 6.3089 6.5741 6.5741 6.5741 6.5741 6.9641 6.9641 6.9641 6.9641 7.8829 7.8829 7.8829 7.8829 8.9851 8.9851 8.9851 8.9851 12.6311 12.6311 12.6311 12.6311 15.8382 15.8382 15.8382 15.8382 15.9183 15.9183 15.9183 15.9183 k = 0.5000 0.5000 0.6183 ( 3208 PWs) bands (ev): -30.2320 -30.2320 -30.2320 -30.2320 -11.4445 -11.4445 -11.4445 -11.4445 -10.1729 -10.1729 -10.1729 -10.1729 -9.8154 -9.8154 -9.8154 -9.8154 -2.4965 -2.4965 -2.4965 -2.4965 0.0834 0.0834 0.0834 0.0834 3.9039 3.9039 3.9039 3.9039 6.3239 6.3239 6.3239 6.3239 6.5552 6.5552 6.5552 6.5552 6.9513 6.9513 6.9513 6.9513 7.8367 7.8367 7.8367 7.8367 8.9991 8.9991 8.9991 8.9991 12.5909 12.5909 12.5909 12.5909 15.8553 15.8553 15.8553 15.8553 16.0487 16.0487 16.0487 16.0487 k = 0.5000 0.5000 0.6350 ( 3220 PWs) bands (ev): -30.2314 -30.2314 -30.2314 -30.2314 -11.4473 -11.4473 -11.4473 -11.4473 -10.1759 -10.1759 -10.1759 -10.1759 -9.8139 -9.8139 -9.8139 -9.8139 -2.5012 -2.5012 -2.5012 -2.5012 0.1021 0.1021 0.1021 0.1021 3.9025 3.9025 3.9025 3.9025 6.3376 6.3376 6.3376 6.3376 6.5383 6.5383 6.5383 6.5383 6.9398 6.9398 6.9398 6.9398 7.7953 7.7953 7.7953 7.7953 9.0118 9.0118 9.0118 9.0118 12.5549 12.5549 12.5549 12.5549 15.8722 15.8722 15.8722 15.8722 16.1784 16.1784 16.1784 16.1784 k = 0.5000 0.5000 0.6517 ( 3224 PWs) bands (ev): -30.2310 -30.2310 -30.2310 -30.2310 -11.4499 -11.4499 -11.4499 -11.4499 -10.1785 -10.1785 -10.1785 -10.1785 -9.8126 -9.8126 -9.8126 -9.8126 -2.5053 -2.5053 -2.5053 -2.5053 0.1184 0.1184 0.1184 0.1184 3.9014 3.9014 3.9014 3.9014 6.3498 6.3498 6.3498 6.3498 6.5236 6.5236 6.5236 6.5236 6.9297 6.9297 6.9297 6.9297 7.7590 7.7590 7.7590 7.7590 9.0231 9.0231 9.0231 9.0231 12.5232 12.5232 12.5232 12.5232 15.8891 15.8891 15.8891 15.8891 16.3040 16.3040 16.3040 16.3040 k = 0.5000 0.5000 0.6684 ( 3224 PWs) bands (ev): -30.2306 -30.2306 -30.2306 -30.2306 -11.4521 -11.4521 -11.4521 -11.4521 -10.1807 -10.1807 -10.1807 -10.1807 -9.8114 -9.8114 -9.8114 -9.8114 -2.5088 -2.5088 -2.5088 -2.5088 0.1325 0.1325 0.1325 0.1325 3.9004 3.9004 3.9004 3.9004 6.3604 6.3604 6.3604 6.3604 6.5111 6.5111 6.5111 6.5111 6.9211 6.9211 6.9211 6.9211 7.7279 7.7279 7.7279 7.7279 9.0327 9.0327 9.0327 9.0327 12.4961 12.4961 12.4961 12.4961 15.9056 15.9056 15.9056 15.9056 16.4223 16.4223 16.4223 16.4223 k = 0.5000 0.5000 0.6851 ( 3224 PWs) bands (ev): -30.2302 -30.2302 -30.2302 -30.2302 -11.4539 -11.4539 -11.4539 -11.4539 -10.1825 -10.1825 -10.1825 -10.1825 -9.8105 -9.8105 -9.8105 -9.8105 -2.5117 -2.5117 -2.5117 -2.5117 0.1441 0.1441 0.1441 0.1441 3.8997 3.8997 3.8997 3.8997 6.3693 6.3693 6.3693 6.3693 6.5008 6.5008 6.5008 6.5008 6.9140 6.9140 6.9140 6.9140 7.7021 7.7021 7.7021 7.7021 9.0407 9.0407 9.0407 9.0407 12.4737 12.4737 12.4737 12.4737 15.9209 15.9209 15.9209 15.9209 16.5287 16.5287 16.5287 16.5287 k = 0.5000 0.5000 0.7018 ( 3224 PWs) bands (ev): -30.2300 -30.2300 -30.2300 -30.2300 -11.4553 -11.4553 -11.4553 -11.4553 -10.1839 -10.1839 -10.1839 -10.1839 -9.8097 -9.8097 -9.8097 -9.8097 -2.5140 -2.5140 -2.5140 -2.5140 0.1532 0.1532 0.1532 0.1532 3.8991 3.8991 3.8991 3.8991 6.3763 6.3763 6.3763 6.3763 6.4928 6.4928 6.4928 6.4928 6.9084 6.9084 6.9084 6.9084 7.6820 7.6820 7.6820 7.6820 9.0470 9.0470 9.0470 9.0470 12.4562 12.4562 12.4562 12.4562 15.9342 15.9342 15.9342 15.9342 16.6177 16.6177 16.6177 16.6177 k = 0.5000 0.5000 0.7186 ( 3224 PWs) bands (ev): -30.2298 -30.2298 -30.2298 -30.2298 -11.4563 -11.4563 -11.4563 -11.4563 -10.1849 -10.1849 -10.1849 -10.1849 -9.8092 -9.8092 -9.8092 -9.8092 -2.5156 -2.5156 -2.5156 -2.5156 0.1598 0.1598 0.1598 0.1598 3.8988 3.8988 3.8988 3.8988 6.3814 6.3814 6.3814 6.3814 6.4870 6.4870 6.4870 6.4870 6.9044 6.9044 6.9044 6.9044 7.6675 7.6675 7.6675 7.6675 9.0516 9.0516 9.0516 9.0516 12.4436 12.4436 12.4436 12.4436 15.9446 15.9446 15.9446 15.9446 16.6833 16.6833 16.6833 16.6833 k = 0.5000 0.5000 0.7353 ( 3216 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4570 -11.4570 -11.4570 -11.4570 -10.1855 -10.1855 -10.1855 -10.1855 -9.8088 -9.8088 -9.8088 -9.8088 -2.5166 -2.5166 -2.5166 -2.5166 0.1637 0.1637 0.1637 0.1637 3.8985 3.8985 3.8985 3.8985 6.3844 6.3844 6.3844 6.3844 6.4836 6.4836 6.4836 6.4836 6.9020 6.9020 6.9020 6.9020 7.6587 7.6587 7.6587 7.6587 9.0543 9.0543 9.0543 9.0543 12.4360 12.4360 12.4360 12.4360 15.9512 15.9512 15.9512 15.9512 16.7034 16.7034 16.7034 16.7034 k = 0.5000 0.5000 0.7520 ( 3208 PWs) bands (ev): -30.2296 -30.2296 -30.2296 -30.2296 -11.4572 -11.4572 -11.4572 -11.4572 -10.1857 -10.1857 -10.1857 -10.1857 -9.8087 -9.8087 -9.8087 -9.8087 -2.5169 -2.5169 -2.5169 -2.5169 0.1651 0.1651 0.1651 0.1651 3.8984 3.8984 3.8984 3.8984 6.3855 6.3855 6.3855 6.3855 6.4824 6.4824 6.4824 6.4824 6.9012 6.9012 6.9012 6.9012 7.6558 7.6558 7.6558 7.6558 9.0552 9.0552 9.0552 9.0552 12.4334 12.4334 12.4334 12.4334 15.9535 15.9535 15.9535 15.9535 16.6994 16.6994 16.6994 16.6994 Writing output data file YxBCx2.save init_run : 0.35s CPU 0.62s WALL ( 1 calls) electrons : 177.26s CPU 181.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 177.25s CPU 181.71s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 348 calls) cegterg : 158.66s CPU 160.96s WALL ( 545 calls) Called by sum_band: Called by *egterg: h_psi : 80.98s CPU 82.57s WALL ( 8969 calls) s_psi : 6.12s CPU 5.97s WALL ( 8969 calls) g_psi : 0.28s CPU 0.20s WALL ( 8076 calls) cdiaghg : 70.93s CPU 71.99s WALL ( 8424 calls) cegterg:over : 6.02s CPU 6.15s WALL ( 8076 calls) cegterg:upda : 4.91s CPU 5.03s WALL ( 8076 calls) cegterg:last : 2.74s CPU 2.74s WALL ( 1241 calls) cdiaghg:chol : 4.00s CPU 4.01s WALL ( 8424 calls) cdiaghg:inve : 2.64s CPU 2.76s WALL ( 8424 calls) cdiaghg:para : 4.26s CPU 4.42s WALL ( 16848 calls) Called by h_psi: h_psi:vloc : 65.84s CPU 67.33s WALL ( 8969 calls) h_psi:vnl : 14.89s CPU 15.00s WALL ( 8969 calls) add_vuspsi : 7.22s CPU 7.44s WALL ( 8969 calls) General routines calbec : 7.64s CPU 7.53s WALL ( 8969 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 60.29s CPU 61.78s WALL ( 999976 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 696 calls) Parallel routines fft_scatter : 24.87s CPU 25.54s WALL ( 999999 calls) PWSCF : 3m14.43s CPU 3m49.49s WALL This run was terminated on: 16:11:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=