Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 8:10 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 36 19 5 1894 712 115 Max 37 20 6 1905 736 124 Sum 1321 697 213 68357 26113 4331 bravais-lattice index = 14 lattice parameter (alat) = 7.1432 a.u. unit-cell volume = 685.6631 (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)= 7.143164 celldm(2)= 1.000000 celldm(3)= 1.881217 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.881217 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.531571 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9406085 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9406085 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9406085 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9406085 ) 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9406085 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9406085 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9406085 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9406085 ) 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0027473 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027473 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027473 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0027473 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027473 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027473 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0027473 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0027473 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0027473 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0027473 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0027473 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027473 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027473 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0027473 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0027473 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0027473 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0027473 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027473 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0027473 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027473 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0027473 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0027473 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0027473 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0027473 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027473 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027473 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027473 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0027473 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027473 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0027473 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027473 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027473 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0027473 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0027473 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027473 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027473 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0027473 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0027473 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0027473 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0027473 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0027473 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027473 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027473 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0027473 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0027473 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0027473 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027473 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0027473 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027473 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027473 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0027473 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0027473 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027473 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027473 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0027473 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027473 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027473 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027473 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027473 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0027473 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027473 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027473 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0027473 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0027473 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0027473 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027473 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027473 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027473 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0027473 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0027473 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027473 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027473 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0027473 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027473 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027473 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0027473 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0027473 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027473 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027473 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0027473 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0027473 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027473 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027473 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0027473 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0027473 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027473 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027473 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027473 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027473 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0027473 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027473 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0027473 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027473 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027473 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0027473 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0027473 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027473 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0027473 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027473 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027473 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027473 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0027473 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027473 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027473 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027473 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0027473 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027473 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0027473 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027473 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027473 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027473 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0115559), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0231118), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0346677), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0462235), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.0577794), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.0693353), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.0808912), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.0924471), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1040030), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1155589), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1271148), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.1386706), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.1502265), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.1617824), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.1733383), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.1848942), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.1964501), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2080060), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2195619), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2311177), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.2426736), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.2542295), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.2657854), wk = 0.0027473 k( 171) = ( 0.0000000 0.0000000 0.2657854), wk = 0.0027473 k( 172) = ( 0.0000000 0.0119048 0.2657854), wk = 0.0027473 k( 173) = ( 0.0000000 0.0238095 0.2657854), wk = 0.0027473 k( 174) = ( 0.0000000 0.0357143 0.2657854), wk = 0.0027473 k( 175) = ( 0.0000000 0.0476191 0.2657854), wk = 0.0027473 k( 176) = ( 0.0000000 0.0595238 0.2657854), wk = 0.0027473 k( 177) = ( 0.0000000 0.0714286 0.2657854), wk = 0.0027473 k( 178) = ( 0.0000000 0.0833333 0.2657854), wk = 0.0027473 k( 179) = ( 0.0000000 0.0952381 0.2657854), wk = 0.0027473 k( 180) = ( 0.0000000 0.1071429 0.2657854), wk = 0.0027473 k( 181) = ( 0.0000000 0.1190476 0.2657854), wk = 0.0027473 k( 182) = ( 0.0000000 0.1309524 0.2657854), wk = 0.0027473 k( 183) = ( 0.0000000 0.1428571 0.2657854), wk = 0.0027473 k( 184) = ( 0.0000000 0.1547619 0.2657854), wk = 0.0027473 k( 185) = ( 0.0000000 0.1666667 0.2657854), wk = 0.0027473 k( 186) = ( 0.0000000 0.1785714 0.2657854), wk = 0.0027473 k( 187) = ( 0.0000000 0.1904762 0.2657854), wk = 0.0027473 k( 188) = ( 0.0000000 0.2023810 0.2657854), wk = 0.0027473 k( 189) = ( 0.0000000 0.2142857 0.2657854), wk = 0.0027473 k( 190) = ( 0.0000000 0.2261905 0.2657854), wk = 0.0027473 k( 191) = ( 0.0000000 0.2380952 0.2657854), wk = 0.0027473 k( 192) = ( 0.0000000 0.2500000 0.2657854), wk = 0.0027473 k( 193) = ( 0.0000000 0.2619048 0.2657854), wk = 0.0027473 k( 194) = ( 0.0000000 0.2738095 0.2657854), wk = 0.0027473 k( 195) = ( 0.0000000 0.2857143 0.2657854), wk = 0.0027473 k( 196) = ( 0.0000000 0.2976190 0.2657854), wk = 0.0027473 k( 197) = ( 0.0000000 0.3095238 0.2657854), wk = 0.0027473 k( 198) = ( 0.0000000 0.3214286 0.2657854), wk = 0.0027473 k( 199) = ( 0.0000000 0.3333333 0.2657854), wk = 0.0027473 k( 200) = ( 0.0000000 0.3452381 0.2657854), wk = 0.0027473 k( 201) = ( 0.0000000 0.3571429 0.2657854), wk = 0.0027473 k( 202) = ( 0.0000000 0.3690476 0.2657854), wk = 0.0027473 k( 203) = ( 0.0000000 0.3809524 0.2657854), wk = 0.0027473 k( 204) = ( 0.0000000 0.3928571 0.2657854), wk = 0.0027473 k( 205) = ( 0.0000000 0.4047619 0.2657854), wk = 0.0027473 k( 206) = ( 0.0000000 0.4166667 0.2657854), wk = 0.0027473 k( 207) = ( 0.0000000 0.4285714 0.2657854), wk = 0.0027473 k( 208) = ( 0.0000000 0.4404762 0.2657854), wk = 0.0027473 k( 209) = ( 0.0000000 0.4523810 0.2657854), wk = 0.0027473 k( 210) = ( 0.0000000 0.4642857 0.2657854), wk = 0.0027473 k( 211) = ( 0.0000000 0.4761905 0.2657854), wk = 0.0027473 k( 212) = ( 0.0000000 0.4880952 0.2657854), wk = 0.0027473 k( 213) = ( 0.0000000 0.5000000 0.2657854), wk = 0.0027473 k( 214) = ( 0.0000000 0.5000000 0.2657854), wk = 0.0027473 k( 215) = ( 0.0119048 0.5000000 0.2657854), wk = 0.0027473 k( 216) = ( 0.0238095 0.5000000 0.2657854), wk = 0.0027473 k( 217) = ( 0.0357143 0.5000000 0.2657854), wk = 0.0027473 k( 218) = ( 0.0476191 0.5000000 0.2657854), wk = 0.0027473 k( 219) = ( 0.0595238 0.5000000 0.2657854), wk = 0.0027473 k( 220) = ( 0.0714286 0.5000000 0.2657854), wk = 0.0027473 k( 221) = ( 0.0833333 0.5000000 0.2657854), wk = 0.0027473 k( 222) = ( 0.0952381 0.5000000 0.2657854), wk = 0.0027473 k( 223) = ( 0.1071429 0.5000000 0.2657854), wk = 0.0027473 k( 224) = ( 0.1190476 0.5000000 0.2657854), wk = 0.0027473 k( 225) = ( 0.1309524 0.5000000 0.2657854), wk = 0.0027473 k( 226) = ( 0.1428571 0.5000000 0.2657854), wk = 0.0027473 k( 227) = ( 0.1547619 0.5000000 0.2657854), wk = 0.0027473 k( 228) = ( 0.1666667 0.5000000 0.2657854), wk = 0.0027473 k( 229) = ( 0.1785714 0.5000000 0.2657854), wk = 0.0027473 k( 230) = ( 0.1904762 0.5000000 0.2657854), wk = 0.0027473 k( 231) = ( 0.2023810 0.5000000 0.2657854), wk = 0.0027473 k( 232) = ( 0.2142857 0.5000000 0.2657854), wk = 0.0027473 k( 233) = ( 0.2261905 0.5000000 0.2657854), wk = 0.0027473 k( 234) = ( 0.2380952 0.5000000 0.2657854), wk = 0.0027473 k( 235) = ( 0.2500000 0.5000000 0.2657854), wk = 0.0027473 k( 236) = ( 0.2619048 0.5000000 0.2657854), wk = 0.0027473 k( 237) = ( 0.2738095 0.5000000 0.2657854), wk = 0.0027473 k( 238) = ( 0.2857143 0.5000000 0.2657854), wk = 0.0027473 k( 239) = ( 0.2976190 0.5000000 0.2657854), wk = 0.0027473 k( 240) = ( 0.3095238 0.5000000 0.2657854), wk = 0.0027473 k( 241) = ( 0.3214286 0.5000000 0.2657854), wk = 0.0027473 k( 242) = ( 0.3333333 0.5000000 0.2657854), wk = 0.0027473 k( 243) = ( 0.3452381 0.5000000 0.2657854), wk = 0.0027473 k( 244) = ( 0.3571429 0.5000000 0.2657854), wk = 0.0027473 k( 245) = ( 0.3690476 0.5000000 0.2657854), wk = 0.0027473 k( 246) = ( 0.3809524 0.5000000 0.2657854), wk = 0.0027473 k( 247) = ( 0.3928571 0.5000000 0.2657854), wk = 0.0027473 k( 248) = ( 0.4047619 0.5000000 0.2657854), wk = 0.0027473 k( 249) = ( 0.4166667 0.5000000 0.2657854), wk = 0.0027473 k( 250) = ( 0.4285714 0.5000000 0.2657854), wk = 0.0027473 k( 251) = ( 0.4404762 0.5000000 0.2657854), wk = 0.0027473 k( 252) = ( 0.4523810 0.5000000 0.2657854), wk = 0.0027473 k( 253) = ( 0.4642857 0.5000000 0.2657854), wk = 0.0027473 k( 254) = ( 0.4761905 0.5000000 0.2657854), wk = 0.0027473 k( 255) = ( 0.4880952 0.5000000 0.2657854), wk = 0.0027473 k( 256) = ( 0.5000000 0.5000000 0.2657854), wk = 0.0027473 k( 257) = ( 0.5000000 0.5000000 0.2657854), wk = 0.0027473 k( 258) = ( 0.4915254 0.4915254 0.2657854), wk = 0.0027473 k( 259) = ( 0.4830508 0.4830508 0.2657854), wk = 0.0027473 k( 260) = ( 0.4745763 0.4745763 0.2657854), wk = 0.0027473 k( 261) = ( 0.4661017 0.4661017 0.2657854), wk = 0.0027473 k( 262) = ( 0.4576271 0.4576271 0.2657854), wk = 0.0027473 k( 263) = ( 0.4491525 0.4491525 0.2657854), wk = 0.0027473 k( 264) = ( 0.4406780 0.4406780 0.2657854), wk = 0.0027473 k( 265) = ( 0.4322034 0.4322034 0.2657854), wk = 0.0027473 k( 266) = ( 0.4237288 0.4237288 0.2657854), wk = 0.0027473 k( 267) = ( 0.4152542 0.4152542 0.2657854), wk = 0.0027473 k( 268) = ( 0.4067797 0.4067797 0.2657854), wk = 0.0027473 k( 269) = ( 0.3983051 0.3983051 0.2657854), wk = 0.0027473 k( 270) = ( 0.3898305 0.3898305 0.2657854), wk = 0.0027473 k( 271) = ( 0.3813559 0.3813559 0.2657854), wk = 0.0027473 k( 272) = ( 0.3728814 0.3728814 0.2657854), wk = 0.0027473 k( 273) = ( 0.3644068 0.3644068 0.2657854), wk = 0.0027473 k( 274) = ( 0.3559322 0.3559322 0.2657854), wk = 0.0027473 k( 275) = ( 0.3474576 0.3474576 0.2657854), wk = 0.0027473 k( 276) = ( 0.3389831 0.3389830 0.2657854), wk = 0.0027473 k( 277) = ( 0.3305085 0.3305085 0.2657854), wk = 0.0027473 k( 278) = ( 0.3220339 0.3220339 0.2657854), wk = 0.0027473 k( 279) = ( 0.3135593 0.3135593 0.2657854), wk = 0.0027473 k( 280) = ( 0.3050848 0.3050847 0.2657854), wk = 0.0027473 k( 281) = ( 0.2966102 0.2966102 0.2657854), wk = 0.0027473 k( 282) = ( 0.2881356 0.2881356 0.2657854), wk = 0.0027473 k( 283) = ( 0.2796610 0.2796610 0.2657854), wk = 0.0027473 k( 284) = ( 0.2711864 0.2711864 0.2657854), wk = 0.0027473 k( 285) = ( 0.2627119 0.2627119 0.2657854), wk = 0.0027473 k( 286) = ( 0.2542373 0.2542373 0.2657854), wk = 0.0027473 k( 287) = ( 0.2457627 0.2457627 0.2657854), wk = 0.0027473 k( 288) = ( 0.2372881 0.2372881 0.2657854), wk = 0.0027473 k( 289) = ( 0.2288136 0.2288136 0.2657854), wk = 0.0027473 k( 290) = ( 0.2203390 0.2203390 0.2657854), wk = 0.0027473 k( 291) = ( 0.2118644 0.2118644 0.2657854), wk = 0.0027473 k( 292) = ( 0.2033898 0.2033898 0.2657854), wk = 0.0027473 k( 293) = ( 0.1949153 0.1949152 0.2657854), wk = 0.0027473 k( 294) = ( 0.1864407 0.1864407 0.2657854), wk = 0.0027473 k( 295) = ( 0.1779661 0.1779661 0.2657854), wk = 0.0027473 k( 296) = ( 0.1694915 0.1694915 0.2657854), wk = 0.0027473 k( 297) = ( 0.1610169 0.1610169 0.2657854), wk = 0.0027473 k( 298) = ( 0.1525424 0.1525424 0.2657854), wk = 0.0027473 k( 299) = ( 0.1440678 0.1440678 0.2657854), wk = 0.0027473 k( 300) = ( 0.1355932 0.1355932 0.2657854), wk = 0.0027473 k( 301) = ( 0.1271186 0.1271186 0.2657854), wk = 0.0027473 k( 302) = ( 0.1186441 0.1186441 0.2657854), wk = 0.0027473 k( 303) = ( 0.1101695 0.1101695 0.2657854), wk = 0.0027473 k( 304) = ( 0.1016949 0.1016949 0.2657854), wk = 0.0027473 k( 305) = ( 0.0932203 0.0932203 0.2657854), wk = 0.0027473 k( 306) = ( 0.0847458 0.0847458 0.2657854), wk = 0.0027473 k( 307) = ( 0.0762712 0.0762712 0.2657854), wk = 0.0027473 k( 308) = ( 0.0677966 0.0677966 0.2657854), wk = 0.0027473 k( 309) = ( 0.0593220 0.0593220 0.2657854), wk = 0.0027473 k( 310) = ( 0.0508475 0.0508475 0.2657854), wk = 0.0027473 k( 311) = ( 0.0423729 0.0423729 0.2657854), wk = 0.0027473 k( 312) = ( 0.0338983 0.0338983 0.2657854), wk = 0.0027473 k( 313) = ( 0.0254237 0.0254237 0.2657854), wk = 0.0027473 k( 314) = ( 0.0169491 0.0169491 0.2657854), wk = 0.0027473 k( 315) = ( 0.0084746 0.0084746 0.2657854), wk = 0.0027473 k( 316) = ( 0.0000000 0.0000000 0.2657854), wk = 0.0027473 k( 317) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 318) = ( 0.0000000 0.5000000 0.0115559), wk = 0.0027473 k( 319) = ( 0.0000000 0.5000000 0.0231118), wk = 0.0027473 k( 320) = ( 0.0000000 0.5000000 0.0346677), wk = 0.0027473 k( 321) = ( 0.0000000 0.5000000 0.0462235), wk = 0.0027473 k( 322) = ( 0.0000000 0.5000000 0.0577794), wk = 0.0027473 k( 323) = ( 0.0000000 0.5000000 0.0693353), wk = 0.0027473 k( 324) = ( 0.0000000 0.5000000 0.0808912), wk = 0.0027473 k( 325) = ( 0.0000000 0.5000000 0.0924471), wk = 0.0027473 k( 326) = ( 0.0000000 0.5000000 0.1040030), wk = 0.0027473 k( 327) = ( 0.0000000 0.5000000 0.1155589), wk = 0.0027473 k( 328) = ( 0.0000000 0.5000000 0.1271148), wk = 0.0027473 k( 329) = ( 0.0000000 0.5000000 0.1386706), wk = 0.0027473 k( 330) = ( 0.0000000 0.5000000 0.1502265), wk = 0.0027473 k( 331) = ( 0.0000000 0.5000000 0.1617824), wk = 0.0027473 k( 332) = ( 0.0000000 0.5000000 0.1733383), wk = 0.0027473 k( 333) = ( 0.0000000 0.5000000 0.1848942), wk = 0.0027473 k( 334) = ( 0.0000000 0.5000000 0.1964501), wk = 0.0027473 k( 335) = ( 0.0000000 0.5000000 0.2080060), wk = 0.0027473 k( 336) = ( 0.0000000 0.5000000 0.2195619), wk = 0.0027473 k( 337) = ( 0.0000000 0.5000000 0.2311177), wk = 0.0027473 k( 338) = ( 0.0000000 0.5000000 0.2426736), wk = 0.0027473 k( 339) = ( 0.0000000 0.5000000 0.2542295), wk = 0.0027473 k( 340) = ( 0.0000000 0.5000000 0.2657854), wk = 0.0027473 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 342) = ( 0.5000000 0.5000000 0.0115559), wk = 0.0027473 k( 343) = ( 0.5000000 0.5000000 0.0231118), wk = 0.0027473 k( 344) = ( 0.5000000 0.5000000 0.0346677), wk = 0.0027473 k( 345) = ( 0.5000000 0.5000000 0.0462235), wk = 0.0027473 k( 346) = ( 0.5000000 0.5000000 0.0577794), wk = 0.0027473 k( 347) = ( 0.5000000 0.5000000 0.0693353), wk = 0.0027473 k( 348) = ( 0.5000000 0.5000000 0.0808912), wk = 0.0027473 k( 349) = ( 0.5000000 0.5000000 0.0924471), wk = 0.0027473 k( 350) = ( 0.5000000 0.5000000 0.1040030), wk = 0.0027473 k( 351) = ( 0.5000000 0.5000000 0.1155589), wk = 0.0027473 k( 352) = ( 0.5000000 0.5000000 0.1271148), wk = 0.0027473 k( 353) = ( 0.5000000 0.5000000 0.1386706), wk = 0.0027473 k( 354) = ( 0.5000000 0.5000000 0.1502265), wk = 0.0027473 k( 355) = ( 0.5000000 0.5000000 0.1617824), wk = 0.0027473 k( 356) = ( 0.5000000 0.5000000 0.1733383), wk = 0.0027473 k( 357) = ( 0.5000000 0.5000000 0.1848942), wk = 0.0027473 k( 358) = ( 0.5000000 0.5000000 0.1964501), wk = 0.0027473 k( 359) = ( 0.5000000 0.5000000 0.2080060), wk = 0.0027473 k( 360) = ( 0.5000000 0.5000000 0.2195619), wk = 0.0027473 k( 361) = ( 0.5000000 0.5000000 0.2311177), wk = 0.0027473 k( 362) = ( 0.5000000 0.5000000 0.2426736), wk = 0.0027473 k( 363) = ( 0.5000000 0.5000000 0.2542295), wk = 0.0027473 k( 364) = ( 0.5000000 0.5000000 0.2657854), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0027473 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0027473 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0027473 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0027473 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0027473 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0027473 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027473 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027473 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0027473 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027473 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027473 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0027473 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0027473 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0027473 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0027473 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0027473 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027473 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027473 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0027473 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0027473 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0027473 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0027473 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027473 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0027473 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027473 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0027473 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0027473 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0027473 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0027473 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027473 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027473 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027473 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0027473 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027473 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0027473 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027473 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027473 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0027473 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0027473 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0027473 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027473 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0027473 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0027473 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0027473 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0027473 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0027473 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027473 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027473 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0027473 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0027473 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0027473 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027473 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0027473 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027473 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027473 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0027473 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0027473 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027473 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027473 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0027473 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027473 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027473 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027473 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027473 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0027473 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027473 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027473 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0027473 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0027473 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0027473 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027473 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027473 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027473 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0027473 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0027473 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027473 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027473 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0027473 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027473 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027473 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0027473 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0027473 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027473 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027473 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0027473 k( 106) = ( 0.3389831 0.3389831 -0.0000000), wk = 0.0027473 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027473 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027473 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0027473 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0027473 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027473 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027473 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027473 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0027473 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0027473 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0027473 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0027473 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027473 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027473 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0027473 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0027473 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0027473 k( 123) = ( 0.1949153 0.1949153 -0.0000000), wk = 0.0027473 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0027473 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027473 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027473 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0027473 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027473 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027473 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0027473 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0027473 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027473 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0027473 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0027473 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0027473 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0027473 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027473 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027473 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0027473 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0027473 k( 173) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0027473 k( 174) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0027473 k( 175) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0027473 k( 176) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0027473 k( 177) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0027473 k( 178) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0027473 k( 179) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0027473 k( 180) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0027473 k( 181) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0027473 k( 182) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0027473 k( 183) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0027473 k( 184) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0027473 k( 185) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027473 k( 186) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0027473 k( 187) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0027473 k( 188) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0027473 k( 189) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0027473 k( 190) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0027473 k( 191) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0027473 k( 192) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027473 k( 193) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0027473 k( 194) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0027473 k( 195) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0027473 k( 196) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0027473 k( 197) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0027473 k( 198) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0027473 k( 199) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027473 k( 200) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0027473 k( 201) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0027473 k( 202) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0027473 k( 203) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0027473 k( 204) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0027473 k( 205) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0027473 k( 206) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0027473 k( 207) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0027473 k( 208) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0027473 k( 209) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0027473 k( 210) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0027473 k( 211) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0027473 k( 212) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0027473 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0027473 k( 222) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0027473 k( 223) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0027473 k( 224) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0027473 k( 225) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0027473 k( 226) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0027473 k( 227) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0027473 k( 228) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027473 k( 229) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0027473 k( 230) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0027473 k( 231) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0027473 k( 232) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0027473 k( 233) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0027473 k( 234) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0027473 k( 235) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027473 k( 236) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0027473 k( 237) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0027473 k( 238) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0027473 k( 239) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0027473 k( 240) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0027473 k( 241) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0027473 k( 242) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027473 k( 243) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0027473 k( 244) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0027473 k( 245) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0027473 k( 246) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0027473 k( 247) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0027473 k( 248) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0027473 k( 249) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0027473 k( 250) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0027473 k( 251) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0027473 k( 252) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0027473 k( 253) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0027473 k( 254) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0027473 k( 255) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0027473 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 258) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0027473 k( 259) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0027473 k( 260) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0027473 k( 261) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0027473 k( 262) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0027473 k( 263) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0027473 k( 264) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0027473 k( 265) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0027473 k( 266) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0027473 k( 267) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0027473 k( 268) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0027473 k( 269) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0027473 k( 270) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0027473 k( 271) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0027473 k( 272) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0027473 k( 273) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0027473 k( 274) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0027473 k( 275) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0027473 k( 276) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0027473 k( 277) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0027473 k( 278) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027473 k( 279) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0027473 k( 280) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027473 k( 281) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0027473 k( 282) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027473 k( 283) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0027473 k( 284) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027473 k( 285) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0027473 k( 286) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027473 k( 287) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0027473 k( 288) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027473 k( 289) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0027473 k( 290) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027473 k( 291) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0027473 k( 292) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027473 k( 293) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0027473 k( 294) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027473 k( 295) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0027473 k( 296) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027473 k( 297) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0027473 k( 298) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027473 k( 299) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0027473 k( 300) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027473 k( 301) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0027473 k( 302) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027473 k( 303) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0027473 k( 304) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027473 k( 305) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0027473 k( 306) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027473 k( 307) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0027473 k( 308) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027473 k( 309) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0027473 k( 310) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027473 k( 311) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0027473 k( 312) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027473 k( 313) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0027473 k( 314) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027473 k( 315) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0027473 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 317) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 318) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0027473 k( 319) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0027473 k( 320) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0027473 k( 321) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0027473 k( 322) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0027473 k( 323) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0027473 k( 324) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0027473 k( 325) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0027473 k( 326) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0027473 k( 327) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0027473 k( 328) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0027473 k( 329) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0027473 k( 330) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0027473 k( 331) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0027473 k( 332) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0027473 k( 333) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0027473 k( 334) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0027473 k( 335) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0027473 k( 336) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0027473 k( 337) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0027473 k( 338) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0027473 k( 339) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0027473 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 342) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0027473 k( 343) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0027473 k( 344) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0027473 k( 345) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0027473 k( 346) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0027473 k( 347) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0027473 k( 348) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0027473 k( 349) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0027473 k( 350) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0027473 k( 351) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0027473 k( 352) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0027473 k( 353) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0027473 k( 354) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0027473 k( 355) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0027473 k( 356) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0027473 k( 357) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0027473 k( 358) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0027473 k( 359) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0027473 k( 360) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0027473 k( 361) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0027473 k( 362) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0027473 k( 363) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0027473 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 Dense grid: 68357 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 26113 G-vectors FFT dimensions: ( 30, 30, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 194, 60) NL pseudopotentials 0.27 Mb ( 97, 180) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1905) G-vector shells 0.01 Mb ( 882) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 194, 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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.5 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.2 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 12.9 secs Computing kpt #: 16 total cpu time spent up to now is 13.4 secs Computing kpt #: 17 total cpu time spent up to now is 14.0 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.1 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.1 secs Computing kpt #: 22 total cpu time spent up to now is 16.6 secs Computing kpt #: 23 total cpu time spent up to now is 17.1 secs Computing kpt #: 24 total cpu time spent up to now is 17.6 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.9 secs Computing kpt #: 28 total cpu time spent up to now is 19.4 secs Computing kpt #: 29 total cpu time spent up to now is 19.8 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 20.8 secs Computing kpt #: 32 total cpu time spent up to now is 21.3 secs Computing kpt #: 33 total cpu time spent up to now is 21.8 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 22.9 secs Computing kpt #: 36 total cpu time spent up to now is 23.5 secs Computing kpt #: 37 total cpu time spent up to now is 24.0 secs Computing kpt #: 38 total cpu time spent up to now is 24.6 secs Computing kpt #: 39 total cpu time spent up to now is 25.2 secs Computing kpt #: 40 total cpu time spent up to now is 25.8 secs Computing kpt #: 41 total cpu time spent up to now is 26.3 secs Computing kpt #: 42 total cpu time spent up to now is 26.9 secs Computing kpt #: 43 total cpu time spent up to now is 27.5 secs Computing kpt #: 44 total cpu time spent up to now is 28.1 secs Computing kpt #: 45 total cpu time spent up to now is 28.8 secs Computing kpt #: 46 total cpu time spent up to now is 29.5 secs Computing kpt #: 47 total cpu time spent up to now is 30.0 secs Computing kpt #: 48 total cpu time spent up to now is 30.6 secs Computing kpt #: 49 total cpu time spent up to now is 31.2 secs Computing kpt #: 50 total cpu time spent up to now is 31.9 secs Computing kpt #: 51 total cpu time spent up to now is 32.5 secs Computing kpt #: 52 total cpu time spent up to now is 33.1 secs Computing kpt #: 53 total cpu time spent up to now is 33.6 secs Computing kpt #: 54 total cpu time spent up to now is 34.2 secs Computing kpt #: 55 total cpu time spent up to now is 34.7 secs Computing kpt #: 56 total cpu time spent up to now is 35.3 secs Computing kpt #: 57 total cpu time spent up to now is 35.8 secs Computing kpt #: 58 total cpu time spent up to now is 36.3 secs Computing kpt #: 59 total cpu time spent up to now is 36.9 secs Computing kpt #: 60 total cpu time spent up to now is 37.5 secs Computing kpt #: 61 total cpu time spent up to now is 38.0 secs Computing kpt #: 62 total cpu time spent up to now is 38.7 secs Computing kpt #: 63 total cpu time spent up to now is 39.4 secs Computing kpt #: 64 total cpu time spent up to now is 40.1 secs Computing kpt #: 65 total cpu time spent up to now is 40.7 secs Computing kpt #: 66 total cpu time spent up to now is 41.3 secs Computing kpt #: 67 total cpu time spent up to now is 41.9 secs Computing kpt #: 68 total cpu time spent up to now is 42.6 secs Computing kpt #: 69 total cpu time spent up to now is 43.3 secs Computing kpt #: 70 total cpu time spent up to now is 44.0 secs Computing kpt #: 71 total cpu time spent up to now is 44.6 secs Computing kpt #: 72 total cpu time spent up to now is 45.3 secs Computing kpt #: 73 total cpu time spent up to now is 45.9 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.9 secs Computing kpt #: 77 total cpu time spent up to now is 48.6 secs Computing kpt #: 78 total cpu time spent up to now is 49.3 secs Computing kpt #: 79 total cpu time spent up to now is 49.9 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.1 secs Computing kpt #: 82 total cpu time spent up to now is 51.6 secs Computing kpt #: 83 total cpu time spent up to now is 52.0 secs Computing kpt #: 84 total cpu time spent up to now is 52.5 secs Computing kpt #: 85 total cpu time spent up to now is 52.9 secs Computing kpt #: 86 total cpu time spent up to now is 53.3 secs Computing kpt #: 87 total cpu time spent up to now is 53.8 secs Computing kpt #: 88 total cpu time spent up to now is 54.2 secs Computing kpt #: 89 total cpu time spent up to now is 54.6 secs Computing kpt #: 90 total cpu time spent up to now is 55.1 secs Computing kpt #: 91 total cpu time spent up to now is 55.6 secs Computing kpt #: 92 total cpu time spent up to now is 56.2 secs Computing kpt #: 93 total cpu time spent up to now is 56.8 secs Computing kpt #: 94 total cpu time spent up to now is 57.4 secs Computing kpt #: 95 total cpu time spent up to now is 58.1 secs Computing kpt #: 96 total cpu time spent up to now is 58.7 secs Computing kpt #: 97 total cpu time spent up to now is 59.2 secs Computing kpt #: 98 total cpu time spent up to now is 59.8 secs Computing kpt #: 99 total cpu time spent up to now is 60.3 secs Computing kpt #: 100 total cpu time spent up to now is 60.8 secs Computing kpt #: 101 total cpu time spent up to now is 61.3 secs Computing kpt #: 102 total cpu time spent up to now is 61.8 secs Computing kpt #: 103 total cpu time spent up to now is 62.3 secs Computing kpt #: 104 total cpu time spent up to now is 62.7 secs Computing kpt #: 105 total cpu time spent up to now is 63.1 secs Computing kpt #: 106 total cpu time spent up to now is 63.6 secs Computing kpt #: 107 total cpu time spent up to now is 64.0 secs Computing kpt #: 108 total cpu time spent up to now is 64.4 secs Computing kpt #: 109 total cpu time spent up to now is 64.8 secs Computing kpt #: 110 total cpu time spent up to now is 65.2 secs Computing kpt #: 111 total cpu time spent up to now is 65.6 secs Computing kpt #: 112 total cpu time spent up to now is 66.1 secs Computing kpt #: 113 total cpu time spent up to now is 66.5 secs Computing kpt #: 114 total cpu time spent up to now is 66.9 secs Computing kpt #: 115 total cpu time spent up to now is 67.3 secs Computing kpt #: 116 total cpu time spent up to now is 67.7 secs Computing kpt #: 117 total cpu time spent up to now is 68.2 secs Computing kpt #: 118 total cpu time spent up to now is 68.6 secs Computing kpt #: 119 total cpu time spent up to now is 69.1 secs Computing kpt #: 120 total cpu time spent up to now is 69.6 secs Computing kpt #: 121 total cpu time spent up to now is 70.2 secs Computing kpt #: 122 total cpu time spent up to now is 71.3 secs Computing kpt #: 123 total cpu time spent up to now is 71.9 secs Computing kpt #: 124 total cpu time spent up to now is 72.5 secs Computing kpt #: 125 total cpu time spent up to now is 73.0 secs Computing kpt #: 126 total cpu time spent up to now is 73.6 secs Computing kpt #: 127 total cpu time spent up to now is 74.1 secs Computing kpt #: 128 total cpu time spent up to now is 74.7 secs Computing kpt #: 129 total cpu time spent up to now is 75.2 secs Computing kpt #: 130 total cpu time spent up to now is 75.8 secs Computing kpt #: 131 total cpu time spent up to now is 76.3 secs Computing kpt #: 132 total cpu time spent up to now is 76.9 secs Computing kpt #: 133 total cpu time spent up to now is 77.5 secs Computing kpt #: 134 total cpu time spent up to now is 78.0 secs Computing kpt #: 135 total cpu time spent up to now is 78.6 secs Computing kpt #: 136 total cpu time spent up to now is 79.1 secs Computing kpt #: 137 total cpu time spent up to now is 79.5 secs Computing kpt #: 138 total cpu time spent up to now is 80.0 secs Computing kpt #: 139 total cpu time spent up to now is 80.4 secs Computing kpt #: 140 total cpu time spent up to now is 80.8 secs Computing kpt #: 141 total cpu time spent up to now is 81.3 secs Computing kpt #: 142 total cpu time spent up to now is 81.7 secs Computing kpt #: 143 total cpu time spent up to now is 82.1 secs Computing kpt #: 144 total cpu time spent up to now is 82.6 secs Computing kpt #: 145 total cpu time spent up to now is 83.0 secs Computing kpt #: 146 total cpu time spent up to now is 83.4 secs Computing kpt #: 147 total cpu time spent up to now is 83.8 secs Computing kpt #: 148 total cpu time spent up to now is 84.3 secs Computing kpt #: 149 total cpu time spent up to now is 84.7 secs Computing kpt #: 150 total cpu time spent up to now is 85.1 secs Computing kpt #: 151 total cpu time spent up to now is 85.5 secs Computing kpt #: 152 total cpu time spent up to now is 85.9 secs Computing kpt #: 153 total cpu time spent up to now is 86.3 secs Computing kpt #: 154 total cpu time spent up to now is 86.7 secs Computing kpt #: 155 total cpu time spent up to now is 87.2 secs Computing kpt #: 156 total cpu time spent up to now is 87.6 secs Computing kpt #: 157 total cpu time spent up to now is 87.9 secs Computing kpt #: 158 total cpu time spent up to now is 88.3 secs Computing kpt #: 159 total cpu time spent up to now is 88.7 secs Computing kpt #: 160 total cpu time spent up to now is 89.1 secs Computing kpt #: 161 total cpu time spent up to now is 89.4 secs Computing kpt #: 162 total cpu time spent up to now is 89.8 secs Computing kpt #: 163 total cpu time spent up to now is 90.2 secs Computing kpt #: 164 total cpu time spent up to now is 90.5 secs Computing kpt #: 165 total cpu time spent up to now is 90.9 secs Computing kpt #: 166 total cpu time spent up to now is 91.2 secs Computing kpt #: 167 total cpu time spent up to now is 91.6 secs Computing kpt #: 168 total cpu time spent up to now is 92.0 secs Computing kpt #: 169 total cpu time spent up to now is 92.3 secs Computing kpt #: 170 total cpu time spent up to now is 92.7 secs Computing kpt #: 171 total cpu time spent up to now is 93.0 secs Computing kpt #: 172 total cpu time spent up to now is 93.4 secs Computing kpt #: 173 total cpu time spent up to now is 93.7 secs Computing kpt #: 174 total cpu time spent up to now is 94.1 secs Computing kpt #: 175 total cpu time spent up to now is 94.5 secs Computing kpt #: 176 total cpu time spent up to now is 94.8 secs Computing kpt #: 177 total cpu time spent up to now is 95.2 secs Computing kpt #: 178 total cpu time spent up to now is 95.6 secs Computing kpt #: 179 total cpu time spent up to now is 96.0 secs Computing kpt #: 180 total cpu time spent up to now is 96.3 secs Computing kpt #: 181 total cpu time spent up to now is 96.7 secs Computing kpt #: 182 total cpu time spent up to now is 97.1 secs Computing kpt #: 183 total cpu time spent up to now is 97.5 secs Computing kpt #: 184 total cpu time spent up to now is 98.0 secs Computing kpt #: 185 total cpu time spent up to now is 98.4 secs Computing kpt #: 186 total cpu time spent up to now is 98.8 secs Computing kpt #: 187 total cpu time spent up to now is 99.2 secs Computing kpt #: 188 total cpu time spent up to now is 99.7 secs Computing kpt #: 189 total cpu time spent up to now is 100.1 secs Computing kpt #: 190 total cpu time spent up to now is 100.6 secs Computing kpt #: 191 total cpu time spent up to now is 101.1 secs Computing kpt #: 192 total cpu time spent up to now is 101.6 secs Computing kpt #: 193 total cpu time spent up to now is 102.1 secs Computing kpt #: 194 total cpu time spent up to now is 102.5 secs Computing kpt #: 195 total cpu time spent up to now is 103.0 secs Computing kpt #: 196 total cpu time spent up to now is 103.4 secs Computing kpt #: 197 total cpu time spent up to now is 103.9 secs Computing kpt #: 198 total cpu time spent up to now is 104.4 secs Computing kpt #: 199 total cpu time spent up to now is 104.8 secs Computing kpt #: 200 total cpu time spent up to now is 105.3 secs Computing kpt #: 201 total cpu time spent up to now is 105.9 secs Computing kpt #: 202 total cpu time spent up to now is 106.4 secs Computing kpt #: 203 total cpu time spent up to now is 106.9 secs Computing kpt #: 204 total cpu time spent up to now is 107.5 secs Computing kpt #: 205 total cpu time spent up to now is 108.1 secs Computing kpt #: 206 total cpu time spent up to now is 108.7 secs Computing kpt #: 207 total cpu time spent up to now is 109.2 secs Computing kpt #: 208 total cpu time spent up to now is 109.7 secs Computing kpt #: 209 total cpu time spent up to now is 110.2 secs Computing kpt #: 210 total cpu time spent up to now is 110.7 secs Computing kpt #: 211 total cpu time spent up to now is 111.2 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 112.1 secs Computing kpt #: 214 total cpu time spent up to now is 112.5 secs Computing kpt #: 215 total cpu time spent up to now is 113.0 secs Computing kpt #: 216 total cpu time spent up to now is 113.4 secs Computing kpt #: 217 total cpu time spent up to now is 114.0 secs Computing kpt #: 218 total cpu time spent up to now is 114.5 secs Computing kpt #: 219 total cpu time spent up to now is 115.1 secs Computing kpt #: 220 total cpu time spent up to now is 115.7 secs Computing kpt #: 221 total cpu time spent up to now is 116.3 secs Computing kpt #: 222 total cpu time spent up to now is 116.9 secs Computing kpt #: 223 total cpu time spent up to now is 117.5 secs Computing kpt #: 224 total cpu time spent up to now is 118.0 secs Computing kpt #: 225 total cpu time spent up to now is 118.6 secs Computing kpt #: 226 total cpu time spent up to now is 119.1 secs Computing kpt #: 227 total cpu time spent up to now is 119.6 secs Computing kpt #: 228 total cpu time spent up to now is 120.2 secs Computing kpt #: 229 total cpu time spent up to now is 120.8 secs Computing kpt #: 230 total cpu time spent up to now is 121.4 secs Computing kpt #: 231 total cpu time spent up to now is 122.3 secs Computing kpt #: 232 total cpu time spent up to now is 123.2 secs Computing kpt #: 233 total cpu time spent up to now is 124.1 secs Computing kpt #: 234 total cpu time spent up to now is 124.9 secs Computing kpt #: 235 total cpu time spent up to now is 125.6 secs Computing kpt #: 236 total cpu time spent up to now is 126.2 secs Computing kpt #: 237 total cpu time spent up to now is 126.9 secs Computing kpt #: 238 total cpu time spent up to now is 127.6 secs Computing kpt #: 239 total cpu time spent up to now is 128.3 secs Computing kpt #: 240 total cpu time spent up to now is 128.9 secs Computing kpt #: 241 total cpu time spent up to now is 129.6 secs Computing kpt #: 242 total cpu time spent up to now is 130.3 secs Computing kpt #: 243 total cpu time spent up to now is 130.9 secs Computing kpt #: 244 total cpu time spent up to now is 131.5 secs Computing kpt #: 245 total cpu time spent up to now is 132.1 secs Computing kpt #: 246 total cpu time spent up to now is 132.7 secs Computing kpt #: 247 total cpu time spent up to now is 133.3 secs Computing kpt #: 248 total cpu time spent up to now is 133.8 secs Computing kpt #: 249 total cpu time spent up to now is 134.4 secs Computing kpt #: 250 total cpu time spent up to now is 135.0 secs Computing kpt #: 251 total cpu time spent up to now is 135.5 secs Computing kpt #: 252 total cpu time spent up to now is 136.1 secs Computing kpt #: 253 total cpu time spent up to now is 136.6 secs Computing kpt #: 254 total cpu time spent up to now is 137.1 secs Computing kpt #: 255 total cpu time spent up to now is 137.7 secs Computing kpt #: 256 total cpu time spent up to now is 138.2 secs Computing kpt #: 257 total cpu time spent up to now is 138.7 secs Computing kpt #: 258 total cpu time spent up to now is 139.2 secs Computing kpt #: 259 total cpu time spent up to now is 139.8 secs Computing kpt #: 260 total cpu time spent up to now is 140.3 secs Computing kpt #: 261 total cpu time spent up to now is 140.8 secs Computing kpt #: 262 total cpu time spent up to now is 141.4 secs Computing kpt #: 263 total cpu time spent up to now is 142.0 secs Computing kpt #: 264 total cpu time spent up to now is 142.5 secs Computing kpt #: 265 total cpu time spent up to now is 143.1 secs Computing kpt #: 266 total cpu time spent up to now is 143.7 secs Computing kpt #: 267 total cpu time spent up to now is 144.2 secs Computing kpt #: 268 total cpu time spent up to now is 144.8 secs Computing kpt #: 269 total cpu time spent up to now is 145.3 secs Computing kpt #: 270 total cpu time spent up to now is 145.9 secs Computing kpt #: 271 total cpu time spent up to now is 146.4 secs Computing kpt #: 272 total cpu time spent up to now is 146.8 secs Computing kpt #: 273 total cpu time spent up to now is 147.3 secs Computing kpt #: 274 total cpu time spent up to now is 147.8 secs Computing kpt #: 275 total cpu time spent up to now is 148.3 secs Computing kpt #: 276 total cpu time spent up to now is 148.7 secs Computing kpt #: 277 total cpu time spent up to now is 149.2 secs Computing kpt #: 278 total cpu time spent up to now is 149.6 secs Computing kpt #: 279 total cpu time spent up to now is 150.1 secs Computing kpt #: 280 total cpu time spent up to now is 150.5 secs Computing kpt #: 281 total cpu time spent up to now is 151.0 secs Computing kpt #: 282 total cpu time spent up to now is 151.4 secs Computing kpt #: 283 total cpu time spent up to now is 151.8 secs Computing kpt #: 284 total cpu time spent up to now is 152.3 secs Computing kpt #: 285 total cpu time spent up to now is 152.7 secs Computing kpt #: 286 total cpu time spent up to now is 153.1 secs Computing kpt #: 287 total cpu time spent up to now is 153.6 secs Computing kpt #: 288 total cpu time spent up to now is 154.0 secs Computing kpt #: 289 total cpu time spent up to now is 154.4 secs Computing kpt #: 290 total cpu time spent up to now is 154.9 secs Computing kpt #: 291 total cpu time spent up to now is 155.3 secs Computing kpt #: 292 total cpu time spent up to now is 155.7 secs Computing kpt #: 293 total cpu time spent up to now is 156.2 secs Computing kpt #: 294 total cpu time spent up to now is 156.6 secs Computing kpt #: 295 total cpu time spent up to now is 157.1 secs Computing kpt #: 296 total cpu time spent up to now is 157.6 secs Computing kpt #: 297 total cpu time spent up to now is 158.0 secs Computing kpt #: 298 total cpu time spent up to now is 158.5 secs Computing kpt #: 299 total cpu time spent up to now is 158.9 secs Computing kpt #: 300 total cpu time spent up to now is 159.3 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 160.2 secs Computing kpt #: 303 total cpu time spent up to now is 160.6 secs Computing kpt #: 304 total cpu time spent up to now is 161.0 secs Computing kpt #: 305 total cpu time spent up to now is 161.4 secs Computing kpt #: 306 total cpu time spent up to now is 161.7 secs Computing kpt #: 307 total cpu time spent up to now is 162.1 secs Computing kpt #: 308 total cpu time spent up to now is 162.5 secs Computing kpt #: 309 total cpu time spent up to now is 162.9 secs Computing kpt #: 310 total cpu time spent up to now is 163.2 secs Computing kpt #: 311 total cpu time spent up to now is 163.6 secs Computing kpt #: 312 total cpu time spent up to now is 164.0 secs Computing kpt #: 313 total cpu time spent up to now is 164.3 secs Computing kpt #: 314 total cpu time spent up to now is 164.7 secs Computing kpt #: 315 total cpu time spent up to now is 165.1 secs Computing kpt #: 316 total cpu time spent up to now is 165.4 secs Computing kpt #: 317 total cpu time spent up to now is 166.0 secs Computing kpt #: 318 total cpu time spent up to now is 166.6 secs Computing kpt #: 319 total cpu time spent up to now is 167.2 secs Computing kpt #: 320 total cpu time spent up to now is 167.8 secs Computing kpt #: 321 total cpu time spent up to now is 168.3 secs Computing kpt #: 322 total cpu time spent up to now is 168.9 secs Computing kpt #: 323 total cpu time spent up to now is 169.5 secs Computing kpt #: 324 total cpu time spent up to now is 170.1 secs Computing kpt #: 325 total cpu time spent up to now is 170.6 secs Computing kpt #: 326 total cpu time spent up to now is 171.2 secs Computing kpt #: 327 total cpu time spent up to now is 171.8 secs Computing kpt #: 328 total cpu time spent up to now is 172.3 secs Computing kpt #: 329 total cpu time spent up to now is 172.9 secs Computing kpt #: 330 total cpu time spent up to now is 173.5 secs Computing kpt #: 331 total cpu time spent up to now is 174.1 secs Computing kpt #: 332 total cpu time spent up to now is 174.7 secs Computing kpt #: 333 total cpu time spent up to now is 175.2 secs Computing kpt #: 334 total cpu time spent up to now is 175.8 secs Computing kpt #: 335 total cpu time spent up to now is 176.4 secs Computing kpt #: 336 total cpu time spent up to now is 177.0 secs Computing kpt #: 337 total cpu time spent up to now is 177.5 secs Computing kpt #: 338 total cpu time spent up to now is 178.1 secs Computing kpt #: 339 total cpu time spent up to now is 178.5 secs Computing kpt #: 340 total cpu time spent up to now is 179.0 secs Computing kpt #: 341 total cpu time spent up to now is 179.4 secs Computing kpt #: 342 total cpu time spent up to now is 179.8 secs Computing kpt #: 343 total cpu time spent up to now is 180.3 secs Computing kpt #: 344 total cpu time spent up to now is 180.8 secs Computing kpt #: 345 total cpu time spent up to now is 181.3 secs Computing kpt #: 346 total cpu time spent up to now is 181.7 secs Computing kpt #: 347 total cpu time spent up to now is 182.1 secs Computing kpt #: 348 total cpu time spent up to now is 182.6 secs Computing kpt #: 349 total cpu time spent up to now is 183.1 secs Computing kpt #: 350 total cpu time spent up to now is 183.5 secs Computing kpt #: 351 total cpu time spent up to now is 183.9 secs Computing kpt #: 352 total cpu time spent up to now is 184.4 secs Computing kpt #: 353 total cpu time spent up to now is 184.9 secs Computing kpt #: 354 total cpu time spent up to now is 185.4 secs Computing kpt #: 355 total cpu time spent up to now is 185.8 secs Computing kpt #: 356 total cpu time spent up to now is 186.3 secs Computing kpt #: 357 total cpu time spent up to now is 186.8 secs Computing kpt #: 358 total cpu time spent up to now is 187.2 secs Computing kpt #: 359 total cpu time spent up to now is 187.7 secs Computing kpt #: 360 total cpu time spent up to now is 188.3 secs Computing kpt #: 361 total cpu time spent up to now is 188.8 secs Computing kpt #: 362 total cpu time spent up to now is 189.4 secs Computing kpt #: 363 total cpu time spent up to now is 189.9 secs Computing kpt #: 364 total cpu time spent up to now is 190.5 secs ethr = 2.00E-08, avg # of iterations = 22.8 total cpu time spent up to now is 190.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3309 PWs) bands (ev): -30.3043 -30.3043 -30.2729 -30.2729 -11.5186 -11.5186 -11.2918 -11.2918 -10.2151 -10.2151 -9.8947 -9.8947 -9.8348 -9.8348 -9.7531 -9.7531 -4.8922 -4.8922 -4.0750 -4.0750 1.5070 1.5070 1.5087 1.5087 3.1141 3.1141 3.1242 3.1242 4.2946 4.2946 5.0040 5.0040 5.0307 5.0307 5.6781 5.6781 5.8698 5.8698 6.5923 6.5923 9.8534 9.8534 10.1886 10.1886 10.4562 10.4562 11.4634 11.4634 13.0204 13.0204 13.6030 13.6030 13.6089 13.6089 14.8139 14.8139 14.8206 14.8206 14.8462 14.8462 k = 0.0000 0.0119-0.0000 ( 3301 PWs) bands (ev): -30.3043 -30.3043 -30.2728 -30.2728 -11.5186 -11.5186 -11.2919 -11.2919 -10.2151 -10.2151 -9.8947 -9.8947 -9.8350 -9.8350 -9.7533 -9.7533 -4.8912 -4.8912 -4.0748 -4.0748 1.4967 1.4967 1.5082 1.5082 3.1179 3.1179 3.1328 3.1328 4.2962 4.2962 4.9911 4.9911 5.0243 5.0243 5.6946 5.6946 5.8744 5.8744 6.5924 6.5924 9.8505 9.8505 10.1877 10.1877 10.4519 10.4519 11.4643 11.4643 12.9939 12.9939 13.6053 13.6053 13.6337 13.6337 14.8083 14.8083 14.8176 14.8176 14.8413 14.8413 k = 0.0000 0.0238-0.0000 ( 3301 PWs) bands (ev): -30.3042 -30.3042 -30.2728 -30.2728 -11.5185 -11.5185 -11.2922 -11.2922 -10.2151 -10.2151 -9.8949 -9.8949 -9.8358 -9.8358 -9.7538 -9.7538 -4.8883 -4.8883 -4.0743 -4.0743 1.4646 1.4646 1.5088 1.5088 3.1213 3.1213 3.1656 3.1656 4.3012 4.3012 4.9421 4.9421 5.0215 5.0215 5.7340 5.7340 5.8922 5.8922 6.5928 6.5928 9.8417 9.8417 10.1850 10.1850 10.4390 10.4390 11.4668 11.4668 12.9257 12.9257 13.6044 13.6044 13.7044 13.7044 14.7868 14.7868 14.8092 14.8092 14.8329 14.8329 k = 0.0000 0.0357-0.0000 ( 3299 PWs) bands (ev): -30.3041 -30.3041 -30.2727 -30.2727 -11.5183 -11.5183 -11.2927 -11.2927 -10.2152 -10.2152 -9.8952 -9.8952 -9.8370 -9.8370 -9.7547 -9.7547 -4.8834 -4.8834 -4.0736 -4.0736 1.4139 1.4139 1.5098 1.5098 3.1249 3.1249 3.2195 3.2195 4.3094 4.3094 4.8679 4.8679 5.0230 5.0230 5.7734 5.7734 5.9347 5.9347 6.5934 6.5934 9.8271 9.8271 10.1805 10.1805 10.4179 10.4179 11.4709 11.4709 12.8349 12.8349 13.6025 13.6025 13.7990 13.7990 14.7476 14.7476 14.7962 14.7962 14.8270 14.8270 k = 0.0000 0.0476-0.0000 ( 3299 PWs) bands (ev): -30.3040 -30.3040 -30.2726 -30.2726 -11.5181 -11.5181 -11.2934 -11.2934 -10.2153 -10.2153 -9.8957 -9.8957 -9.8387 -9.8387 -9.7558 -9.7558 -4.8767 -4.8767 -4.0725 -4.0725 1.3478 1.3478 1.5113 1.5113 3.1296 3.1296 3.2903 3.2903 4.3210 4.3210 4.7803 4.7803 5.0263 5.0263 5.7972 5.7972 6.0080 6.0080 6.5943 6.5943 9.8068 9.8068 10.1739 10.1739 10.3887 10.3887 11.4766 11.4766 12.7339 12.7339 13.5991 13.5991 13.9038 13.9038 14.6968 14.6968 14.7790 14.7790 14.8238 14.8238 k = 0.0000 0.0595-0.0000 ( 3299 PWs) bands (ev): -30.3038 -30.3038 -30.2724 -30.2724 -11.5178 -11.5178 -11.2944 -11.2944 -10.2155 -10.2155 -9.8964 -9.8964 -9.8408 -9.8408 -9.7573 -9.7573 -4.8680 -4.8680 -4.0711 -4.0711 1.2696 1.2696 1.5131 1.5131 3.1356 3.1356 3.3744 3.3744 4.3358 4.3358 4.6857 4.6857 5.0309 5.0309 5.8094 5.8094 6.1022 6.1022 6.5954 6.5954 9.7811 9.7811 10.1650 10.1650 10.3521 10.3521 11.4838 11.4838 12.6290 12.6290 13.5940 13.5940 14.0105 14.0105 14.6399 14.6399 14.7586 14.7586 14.8247 14.8247 k = 0.0000 0.0714-0.0000 ( 3295 PWs) bands (ev): -30.3036 -30.3036 -30.2722 -30.2722 -11.5174 -11.5174 -11.2955 -11.2955 -10.2157 -10.2157 -9.8973 -9.8973 -9.8431 -9.8431 -9.7591 -9.7591 -4.8575 -4.8575 -4.0693 -4.0693 1.1822 1.1822 1.5154 1.5154 3.1428 3.1428 3.4688 3.4688 4.3538 4.3538 4.5877 4.5877 5.0366 5.0366 5.8163 5.8163 6.2076 6.2076 6.5968 6.5968 9.7501 9.7501 10.1536 10.1536 10.3084 10.3084 11.4925 11.4925 12.5237 12.5237 13.5865 13.5865 14.1125 14.1125 14.5811 14.5811 14.7359 14.7359 14.8331 14.8331 k = 0.0000 0.0833-0.0000 ( 3291 PWs) bands (ev): -30.3033 -30.3033 -30.2720 -30.2720 -11.5170 -11.5170 -11.2967 -11.2967 -10.2159 -10.2159 -9.8987 -9.8987 -9.8456 -9.8456 -9.7611 -9.7611 -4.8452 -4.8452 -4.0673 -4.0673 1.0881 1.0881 1.5181 1.5181 3.1513 3.1513 3.5710 3.5710 4.3750 4.3750 4.4883 4.4883 5.0434 5.0434 5.8211 5.8211 6.3190 6.3190 6.5984 6.5984 9.7142 9.7142 10.1392 10.1392 10.2584 10.2584 11.5025 11.5025 12.4198 12.4198 13.5757 13.5757 14.2032 14.2032 14.5235 14.5235 14.7119 14.7119 14.8542 14.8542 k = 0.0000 0.0952-0.0000 ( 3279 PWs) bands (ev): -30.3031 -30.3031 -30.2717 -30.2717 -11.5165 -11.5165 -11.2982 -11.2982 -10.2162 -10.2162 -9.9004 -9.9004 -9.8482 -9.8482 -9.7634 -9.7634 -4.8312 -4.8312 -4.0649 -4.0649 0.9890 0.9890 1.5212 1.5212 3.1610 3.1610 3.6786 3.6786 4.3886 4.3886 4.4000 4.4000 5.0512 5.0512 5.8249 5.8249 6.4337 6.4337 6.6003 6.6003 9.6737 9.6737 10.1215 10.1215 10.2026 10.2026 11.5137 11.5137 12.3188 12.3188 13.5608 13.5608 14.2759 14.2759 14.4699 14.4699 14.6874 14.6874 14.8937 14.8937 k = 0.0000 0.1071-0.0000 ( 3275 PWs) bands (ev): -30.3028 -30.3028 -30.2714 -30.2714 -11.5160 -11.5160 -11.2999 -11.2999 -10.2165 -10.2165 -9.9028 -9.9028 -9.8507 -9.8507 -9.7660 -9.7660 -4.8155 -4.8155 -4.0621 -4.0621 0.8863 0.8863 1.5246 1.5246 3.1719 3.1719 3.7891 3.7891 4.2920 4.2920 4.4269 4.4269 5.0600 5.0600 5.8283 5.8283 6.5492 6.5492 6.6037 6.6037 9.6288 9.6288 10.1001 10.1001 10.1418 10.1418 11.5261 11.5261 12.2215 12.2215 13.5408 13.5408 14.3262 14.3262 14.4229 14.4229 14.6633 14.6633 14.9555 14.9555 k = 0.0000 0.1190-0.0000 ( 3275 PWs) bands (ev): -30.3024 -30.3024 -30.2711 -30.2711 -11.5155 -11.5155 -11.3018 -11.3018 -10.2168 -10.2168 -9.9057 -9.9057 -9.8530 -9.8530 -9.7688 -9.7688 -4.7982 -4.7982 -4.0589 -4.0589 0.7812 0.7812 1.5285 1.5285 3.1839 3.1839 3.8979 3.8979 4.2010 4.2010 4.4573 4.4573 5.0697 5.0697 5.8316 5.8316 6.6016 6.6016 6.6716 6.6716 9.5799 9.5799 10.0741 10.0741 10.0769 10.0769 11.5395 11.5395 12.1286 12.1286 13.5150 13.5150 14.3523 14.3523 14.3867 14.3867 14.6405 14.6405 15.0387 15.0387 k = 0.0000 0.1310-0.0000 ( 3269 PWs) bands (ev): -30.3021 -30.3021 -30.2708 -30.2708 -11.5149 -11.5149 -11.3038 -11.3038 -10.2172 -10.2172 -9.9094 -9.9094 -9.8550 -9.8550 -9.7717 -9.7717 -4.7793 -4.7793 -4.0554 -4.0554 0.6746 0.6746 1.5327 1.5327 3.1971 3.1971 3.9808 3.9808 4.1398 4.1398 4.4908 4.4908 5.0805 5.0805 5.8349 5.8349 6.6048 6.6048 6.7891 6.7891 9.5275 9.5275 10.0075 10.0075 10.0443 10.0443 11.5538 11.5538 12.0406 12.0406 13.4829 13.4829 14.3434 14.3434 14.3782 14.3782 14.6198 14.6198 15.1383 15.1383 k = 0.0000 0.1429-0.0000 ( 3275 PWs) bands (ev): -30.3017 -30.3017 -30.2704 -30.2704 -11.5143 -11.5143 -11.3060 -11.3060 -10.2177 -10.2177 -9.9138 -9.9138 -9.8566 -9.8566 -9.7748 -9.7748 -4.7591 -4.7591 -4.0514 -4.0514 0.5670 0.5670 1.5374 1.5374 3.2114 3.2114 3.9560 3.9560 4.1894 4.1894 4.5271 4.5271 5.0921 5.0921 5.8384 5.8384 6.6072 6.6072 6.9072 6.9072 9.4718 9.4718 9.9354 9.9354 10.0091 10.0091 11.5688 11.5688 11.9580 11.9580 13.4445 13.4445 14.3237 14.3237 14.3795 14.3795 14.6019 14.6019 15.2484 15.2484 k = 0.0000 0.1548-0.0000 ( 3277 PWs) bands (ev): -30.3013 -30.3013 -30.2700 -30.2700 -11.5137 -11.5137 -11.3084 -11.3084 -10.2182 -10.2182 -9.9189 -9.9189 -9.8578 -9.8578 -9.7781 -9.7781 -4.7375 -4.7375 -4.0469 -4.0469 0.4591 0.4591 1.5423 1.5423 3.2267 3.2267 3.8750 3.8750 4.2981 4.2981 4.5663 4.5663 5.1047 5.1047 5.8421 5.8421 6.6096 6.6096 7.0248 7.0248 9.4132 9.4132 9.8607 9.8607 9.9686 9.9686 11.5846 11.5846 11.8811 11.8811 13.4002 13.4002 14.3112 14.3112 14.3773 14.3773 14.5875 14.5875 15.3643 15.3643 k = 0.0000 0.1667-0.0000 ( 3273 PWs) bands (ev): -30.3008 -30.3008 -30.2696 -30.2696 -11.5130 -11.5130 -11.3109 -11.3109 -10.2187 -10.2187 -9.9247 -9.9247 -9.8585 -9.8585 -9.7814 -9.7814 -4.7148 -4.7148 -4.0419 -4.0419 0.3512 0.3512 1.5477 1.5477 3.2431 3.2431 3.7865 3.7865 4.4168 4.4168 4.6082 4.6082 5.1181 5.1181 5.8461 5.8461 6.6120 6.6120 7.1414 7.1414 9.3522 9.3522 9.7840 9.7840 9.9227 9.9227 11.6010 11.6010 11.8101 11.8101 13.3509 13.3509 14.3071 14.3071 14.3735 14.3735 14.5772 14.5772 15.4824 15.4824 k = 0.0000 0.1786-0.0000 ( 3275 PWs) bands (ev): -30.3004 -30.3004 -30.2692 -30.2692 -11.5124 -11.5124 -11.3136 -11.3136 -10.2193 -10.2193 -9.9310 -9.9310 -9.8590 -9.8590 -9.7848 -9.7848 -4.6910 -4.6910 -4.0363 -4.0363 0.2436 0.2436 1.5535 1.5535 3.2603 3.2603 3.6976 3.6976 4.5379 4.5379 4.6527 4.6527 5.1323 5.1323 5.8504 5.8504 6.6144 6.6144 7.2563 7.2563 9.2891 9.2891 9.7059 9.7059 9.8711 9.8711 11.6178 11.6178 11.7451 11.7451 13.2974 13.2974 14.3107 14.3107 14.3702 14.3702 14.5717 14.5717 15.6001 15.6001 k = 0.0000 0.1905-0.0000 ( 3273 PWs) bands (ev): -30.2999 -30.2999 -30.2687 -30.2687 -11.5117 -11.5117 -11.3164 -11.3164 -10.2199 -10.2199 -9.9378 -9.9378 -9.8591 -9.8591 -9.7883 -9.7883 -4.6662 -4.6662 -4.0300 -4.0300 0.1368 0.1368 1.5596 1.5596 3.2784 3.2784 3.6098 3.6098 4.6595 4.6595 4.7001 4.7001 5.1473 5.1473 5.8551 5.8551 6.6169 6.6169 7.3694 7.3694 9.2243 9.2243 9.6268 9.6268 9.8139 9.8139 11.6344 11.6344 11.6867 11.6867 13.2410 13.2410 14.3212 14.3212 14.3690 14.3690 14.5714 14.5714 15.6447 15.6447 k = 0.0000 0.2024-0.0000 ( 3273 PWs) bands (ev): -30.2994 -30.2994 -30.2683 -30.2683 -11.5110 -11.5110 -11.3193 -11.3193 -10.2205 -10.2205 -9.9450 -9.9450 -9.8590 -9.8590 -9.7918 -9.7918 -4.6408 -4.6408 -4.0230 -4.0230 0.0308 0.0308 1.5661 1.5661 3.2973 3.2973 3.5239 3.5239 4.7486 4.7486 4.7820 4.7820 5.1630 5.1630 5.8601 5.8601 6.6194 6.6194 7.4800 7.4800 9.1582 9.1582 9.5472 9.5472 9.7513 9.7513 11.6266 11.6266 11.6587 11.6587 13.1827 13.1827 14.3379 14.3379 14.3713 14.3713 14.5768 14.5768 15.6703 15.6703 k = 0.0000 0.2143-0.0000 ( 3275 PWs) bands (ev): -30.2989 -30.2989 -30.2678 -30.2678 -11.5104 -11.5104 -11.3224 -11.3224 -10.2212 -10.2212 -9.9524 -9.9524 -9.8587 -9.8587 -9.7952 -9.7952 -4.6148 -4.6148 -4.0151 -4.0151 -0.0741 -0.0741 1.5731 1.5731 3.3169 3.3169 3.4400 3.4400 4.8007 4.8007 4.9022 4.9022 5.1794 5.1794 5.8655 5.8655 6.6219 6.6219 7.5879 7.5879 9.0911 9.0911 9.4675 9.4675 9.6836 9.6836 11.5801 11.5801 11.6754 11.6754 13.1233 13.1233 14.3597 14.3597 14.3780 14.3780 14.5882 14.5882 15.6962 15.6962 k = 0.0000 0.2262-0.0000 ( 3271 PWs) bands (ev): -30.2984 -30.2984 -30.2673 -30.2673 -11.5098 -11.5098 -11.3255 -11.3255 -10.2220 -10.2220 -9.9601 -9.9601 -9.8582 -9.8582 -9.7987 -9.7987 -4.5885 -4.5885 -4.0063 -4.0063 -0.1776 -0.1776 1.5803 1.5803 3.3368 3.3368 3.3586 3.3586 4.8547 4.8547 5.0213 5.0213 5.1964 5.1964 5.8714 5.8714 6.6244 6.6244 7.6926 7.6926 9.0233 9.0233 9.3881 9.3881 9.6111 9.6111 11.5361 11.5361 11.6951 11.6951 13.0635 13.0635 14.3847 14.3847 14.3914 14.3914 14.6059 14.6059 15.7223 15.7223 k = 0.0000 0.2381-0.0000 ( 3273 PWs) bands (ev): -30.2979 -30.2979 -30.2668 -30.2668 -11.5091 -11.5091 -11.3287 -11.3287 -10.2227 -10.2227 -9.9678 -9.9678 -9.8575 -9.8575 -9.8020 -9.8020 -4.5620 -4.5620 -3.9965 -3.9965 -0.2796 -0.2796 1.5880 1.5880 3.2787 3.2787 3.3582 3.3582 4.9107 4.9107 5.1384 5.1384 5.2139 5.2139 5.8778 5.8778 6.6269 6.6269 7.7937 7.7937 8.9553 8.9553 9.3093 9.3093 9.5344 9.5344 11.4961 11.4961 11.7162 11.7162 13.0041 13.0041 14.4050 14.4050 14.4192 14.4192 14.6299 14.6299 15.7487 15.7487 k = 0.0000 0.2500-0.0000 ( 3273 PWs) bands (ev): -30.2974 -30.2974 -30.2664 -30.2664 -11.5085 -11.5085 -11.3320 -11.3320 -10.2235 -10.2235 -9.9756 -9.9756 -9.8568 -9.8568 -9.8053 -9.8053 -4.5357 -4.5357 -3.9854 -3.9854 -0.3799 -0.3799 1.5961 1.5961 3.2018 3.2018 3.3794 3.3794 4.9686 4.9686 5.2315 5.2315 5.2537 5.2537 5.8848 5.8848 6.6295 6.6295 7.8909 7.8909 8.8874 8.8874 9.2314 9.2314 9.4538 9.4538 11.4597 11.4597 11.7385 11.7385 12.9455 12.9455 14.4282 14.4282 14.4538 14.4538 14.6605 14.6605 15.7754 15.7754 k = 0.0000 0.2619-0.0000 ( 3279 PWs) bands (ev): -30.2969 -30.2969 -30.2659 -30.2659 -11.5080 -11.5080 -11.3354 -11.3354 -10.2244 -10.2244 -9.9834 -9.9834 -9.8560 -9.8560 -9.8085 -9.8085 -4.5098 -4.5098 -3.9730 -3.9730 -0.4785 -0.4785 1.6046 1.6046 3.1273 3.1273 3.4010 3.4010 5.0282 5.0282 5.2502 5.2502 5.3653 5.3653 5.8925 5.8925 6.6322 6.6322 7.9838 7.9838 8.8200 8.8200 9.1548 9.1548 9.3701 9.3701 11.4266 11.4266 11.7623 11.7623 12.8881 12.8881 14.4573 14.4573 14.4920 14.4920 14.6976 14.6976 15.8023 15.8023 k = 0.0000 0.2738-0.0000 ( 3279 PWs) bands (ev): -30.2964 -30.2964 -30.2654 -30.2654 -11.5074 -11.5074 -11.3388 -11.3388 -10.2252 -10.2252 -9.9912 -9.9912 -9.8551 -9.8551 -9.8116 -9.8116 -4.4845 -4.4845 -3.9590 -3.9590 -0.5750 -0.5750 1.6135 1.6135 3.0554 3.0554 3.4229 3.4229 5.0893 5.0893 5.2689 5.2689 5.4736 5.4736 5.9012 5.9012 6.6349 6.6349 8.0721 8.0721 8.7533 8.7533 9.0797 9.0797 9.2836 9.2836 11.3964 11.3964 11.7876 11.7876 12.8324 12.8324 14.4926 14.4926 14.5334 14.5334 14.7411 14.7411 15.8295 15.8295 k = 0.0000 0.2857-0.0000 ( 3279 PWs) bands (ev): -30.2959 -30.2959 -30.2649 -30.2649 -11.5069 -11.5069 -11.3421 -11.3421 -10.2260 -10.2260 -9.9988 -9.9988 -9.8542 -9.8542 -9.8145 -9.8145 -4.4602 -4.4602 -3.9435 -3.9435 -0.6693 -0.6693 1.6228 1.6228 2.9860 2.9860 3.4449 3.4449 5.1517 5.1517 5.2878 5.2878 5.5774 5.5774 5.9115 5.9115 6.6378 6.6378 8.1556 8.1556 8.6877 8.6877 9.0065 9.0065 9.1949 9.1949 11.3688 11.3688 11.8147 11.8147 12.7784 12.7784 14.5342 14.5342 14.5776 14.5776 14.7908 14.7908 15.8569 15.8569 k = 0.0000 0.2976-0.0000 ( 3265 PWs) bands (ev): -30.2953 -30.2953 -30.2644 -30.2644 -11.5064 -11.5064 -11.3455 -11.3455 -10.2269 -10.2269 -10.0062 -10.0062 -9.8533 -9.8533 -9.8173 -9.8173 -4.4370 -4.4370 -3.9263 -3.9263 -0.7613 -0.7613 1.6326 1.6326 2.9193 2.9193 3.4669 3.4669 5.2152 5.2152 5.3069 5.3069 5.6748 5.6748 5.9249 5.9249 6.6409 6.6409 8.2340 8.2340 8.6235 8.6235 8.9353 8.9353 9.1046 9.1046 11.3434 11.3434 11.8436 11.8436 12.7266 12.7266 14.5819 14.5819 14.6245 14.6245 14.8465 14.8465 15.8844 15.8844 k = 0.0000 0.3095-0.0000 ( 3265 PWs) bands (ev): -30.2949 -30.2949 -30.2640 -30.2640 -11.5060 -11.5060 -11.3489 -11.3489 -10.2277 -10.2277 -10.0135 -10.0135 -9.8523 -9.8523 -9.8199 -9.8199 -4.4153 -4.4153 -3.9073 -3.9073 -0.8508 -0.8508 1.6428 1.6428 2.8552 2.8552 3.4888 3.4888 5.2796 5.2796 5.3259 5.3259 5.7620 5.7620 5.9448 5.9448 6.6442 6.6442 8.3071 8.3071 8.5611 8.5611 8.8664 8.8664 9.0132 9.0132 11.3201 11.3201 11.8744 11.8744 12.6770 12.6770 14.6358 14.6358 14.6738 14.6738 14.9079 14.9079 15.9120 15.9120 k = 0.0000 0.3214-0.0000 ( 3257 PWs) bands (ev): -30.2944 -30.2944 -30.2635 -30.2635 -11.5055 -11.5055 -11.3521 -11.3521 -10.2285 -10.2285 -10.0205 -10.0205 -9.8514 -9.8514 -9.8224 -9.8224 -4.3951 -4.3951 -3.8865 -3.8865 -0.9375 -0.9375 1.6534 1.6534 2.7938 2.7938 3.5105 3.5105 5.3442 5.3442 5.3451 5.3451 5.8306 5.8306 5.9791 5.9791 6.6478 6.6478 8.3747 8.3747 8.5009 8.5009 8.8001 8.8001 8.9212 8.9212 11.2985 11.2985 11.9069 11.9069 12.6299 12.6299 14.6954 14.6954 14.7253 14.7253 14.9747 14.9747 15.9396 15.9396 k = 0.0000 0.3333-0.0000 ( 3261 PWs) bands (ev): -30.2939 -30.2939 -30.2631 -30.2631 -11.5051 -11.5051 -11.3554 -11.3554 -10.2293 -10.2293 -10.0272 -10.0272 -9.8505 -9.8505 -9.8247 -9.8247 -4.3767 -4.3767 -3.8642 -3.8642 -1.0213 -1.0213 1.6645 1.6645 2.7351 2.7351 3.5317 3.5317 5.3635 5.3635 5.4095 5.4095 5.8733 5.8733 6.0349 6.0349 6.6519 6.6519 8.4339 8.4339 8.4459 8.4459 8.7365 8.7365 8.8291 8.8291 11.2786 11.2786 11.9411 11.9411 12.5854 12.5854 14.7606 14.7606 14.7788 14.7788 15.0463 15.0463 15.9671 15.9671 k = 0.0000 0.3452-0.0000 ( 3257 PWs) bands (ev): -30.2935 -30.2935 -30.2627 -30.2627 -11.5048 -11.5048 -11.3585 -11.3585 -10.2301 -10.2301 -10.0335 -10.0335 -9.8495 -9.8495 -9.8269 -9.8269 -4.3599 -4.3599 -3.8403 -3.8403 -1.1019 -1.1019 1.6759 1.6759 2.6792 2.6792 3.5524 3.5524 5.3819 5.3819 5.4744 5.4744 5.8969 5.8969 6.1048 6.1048 6.6564 6.6564 8.3869 8.3869 8.4944 8.4944 8.6759 8.6759 8.7374 8.7374 11.2603 11.2603 11.9767 11.9767 12.5435 12.5435 14.8310 14.8310 14.8342 14.8342 15.1224 15.1224 15.9943 15.9943 k = 0.0000 0.3571-0.0000 ( 3253 PWs) bands (ev): -30.2931 -30.2931 -30.2623 -30.2623 -11.5045 -11.5045 -11.3615 -11.3615 -10.2309 -10.2309 -10.0395 -10.0395 -9.8487 -9.8487 -9.8288 -9.8288 -4.3450 -4.3450 -3.8152 -3.8152 -1.1790 -1.1790 1.6877 1.6877 2.6261 2.6261 3.5723 3.5723 5.3997 5.3997 5.5386 5.5386 5.9118 5.9118 6.1783 6.1783 6.6616 6.6616 8.3346 8.3346 8.5457 8.5457 8.6185 8.6185 8.6467 8.6467 11.2434 11.2434 12.0133 12.0133 12.5045 12.5045 14.8911 14.8911 14.9060 14.9060 15.2024 15.2024 16.0212 16.0212 k = 0.0000 0.3690-0.0000 ( 3253 PWs) bands (ev): -30.2927 -30.2927 -30.2620 -30.2620 -11.5042 -11.5042 -11.3644 -11.3644 -10.2316 -10.2316 -10.0452 -10.0452 -9.8478 -9.8478 -9.8306 -9.8306 -4.3318 -4.3318 -3.7892 -3.7892 -1.2523 -1.2523 1.6999 1.6999 2.5759 2.5759 3.5915 3.5915 5.4169 5.4169 5.6017 5.6017 5.9228 5.9228 6.2500 6.2500 6.6675 6.6675 8.2853 8.2853 8.5567 8.5567 8.5647 8.5647 8.5927 8.5927 11.2280 11.2280 12.0506 12.0506 12.4683 12.4683 14.9494 14.9494 14.9851 14.9851 15.2855 15.2855 16.0474 16.0474 k = 0.0000 0.3810-0.0000 ( 3257 PWs) bands (ev): -30.2923 -30.2923 -30.2616 -30.2616 -11.5039 -11.5039 -11.3671 -11.3671 -10.2322 -10.2322 -10.0504 -10.0504 -9.8470 -9.8470 -9.8323 -9.8323 -4.3203 -4.3203 -3.7627 -3.7627 -1.3215 -1.3215 1.7123 1.7123 2.5287 2.5287 3.6096 3.6096 5.4332 5.4332 5.6630 5.6630 5.9318 5.9318 6.3178 6.3178 6.6743 6.6743 8.2394 8.2394 8.4702 8.4702 8.5143 8.5143 8.6336 8.6336 11.2139 11.2139 12.0880 12.0880 12.4350 12.4350 15.0087 15.0087 15.0677 15.0677 15.3711 15.3711 16.0728 16.0728 k = 0.0000 0.3929-0.0000 ( 3251 PWs) bands (ev): -30.2920 -30.2920 -30.2613 -30.2613 -11.5037 -11.5037 -11.3696 -11.3696 -10.2328 -10.2328 -10.0552 -10.0552 -9.8463 -9.8463 -9.8337 -9.8337 -4.3103 -4.3103 -3.7362 -3.7362 -1.3862 -1.3862 1.7248 1.7248 2.4846 2.4846 3.6265 3.6265 5.4486 5.4486 5.7218 5.7218 5.9395 5.9395 6.3806 6.3806 6.6820 6.6820 8.1972 8.1972 8.3860 8.3860 8.4680 8.4680 8.6700 8.6700 11.2012 11.2012 12.1248 12.1248 12.4048 12.4048 15.0688 15.0688 15.1530 15.1530 15.4583 15.4583 16.0971 16.0971 k = 0.0000 0.4048-0.0000 ( 3247 PWs) bands (ev): -30.2917 -30.2917 -30.2610 -30.2610 -11.5035 -11.5035 -11.3719 -11.3719 -10.2334 -10.2334 -10.0596 -10.0596 -9.8456 -9.8456 -9.8350 -9.8350 -4.3017 -4.3017 -3.7103 -3.7103 -1.4460 -1.4460 1.7374 1.7374 2.4438 2.4438 3.6422 3.6422 5.4629 5.4629 5.7775 5.7775 5.9463 5.9463 6.4378 6.4378 6.6908 6.6908 8.1589 8.1589 8.3056 8.3056 8.4257 8.4257 8.7019 8.7019 11.1899 11.1899 12.1604 12.1604 12.3776 12.3776 15.1291 15.1291 15.2399 15.2399 15.5460 15.5460 16.1201 16.1201 k = 0.0000 0.4167-0.0000 ( 3247 PWs) bands (ev): -30.2914 -30.2914 -30.2607 -30.2607 -11.5033 -11.5033 -11.3740 -11.3740 -10.2339 -10.2339 -10.0635 -10.0635 -9.8450 -9.8450 -9.8361 -9.8361 -4.2945 -4.2945 -3.6854 -3.6854 -1.5004 -1.5004 1.7498 1.7498 2.4065 2.4065 3.6564 3.6564 5.4760 5.4760 5.8292 5.8292 5.9522 5.9522 6.4889 6.4889 6.7005 6.7005 8.1246 8.1246 8.2297 8.2297 8.3878 8.3878 8.7293 8.7293 11.1799 11.1799 12.1941 12.1941 12.3535 12.3535 15.1891 15.1891 15.3274 15.3274 15.6329 15.6329 16.1415 16.1415 k = 0.0000 0.4286-0.0000 ( 3233 PWs) bands (ev): -30.2911 -30.2911 -30.2605 -30.2605 -11.5031 -11.5031 -11.3758 -11.3758 -10.2343 -10.2343 -10.0669 -10.0669 -9.8444 -9.8444 -9.8371 -9.8371 -4.2884 -4.2884 -3.6622 -3.6622 -1.5490 -1.5490 1.7617 1.7617 2.3728 2.3728 3.6690 3.6690 5.4876 5.4876 5.8761 5.8761 5.9574 5.9574 6.5337 6.5337 6.7110 6.7110 8.0946 8.0946 8.1596 8.1596 8.3545 8.3545 8.7526 8.7526 11.1713 11.1713 12.2251 12.2251 12.3326 12.3326 15.2478 15.2478 15.4138 15.4138 15.7174 15.7174 16.1610 16.1610 k = 0.0000 0.4405-0.0000 ( 3223 PWs) bands (ev): -30.2909 -30.2909 -30.2603 -30.2603 -11.5030 -11.5030 -11.3774 -11.3774 -10.2347 -10.2347 -10.0698 -10.0698 -9.8440 -9.8440 -9.8379 -9.8379 -4.2835 -4.2835 -3.6412 -3.6412 -1.5913 -1.5913 1.7730 1.7730 2.3433 2.3433 3.6800 3.6800 5.4977 5.4977 5.9172 5.9172 5.9619 5.9619 6.5720 6.5720 6.7221 6.7221 8.0689 8.0689 8.0965 8.0965 8.3259 8.3259 8.7719 8.7719 11.1639 11.1639 12.2528 12.2528 12.3148 12.3148 15.3041 15.3041 15.4971 15.4971 15.7976 15.7976 16.1782 16.1782 k = 0.0000 0.4524-0.0000 ( 3223 PWs) bands (ev): -30.2907 -30.2907 -30.2602 -30.2602 -11.5029 -11.5029 -11.3788 -11.3788 -10.2350 -10.2350 -10.0722 -10.0722 -9.8436 -9.8436 -9.8386 -9.8386 -4.2796 -4.2796 -3.6231 -3.6231 -1.6267 -1.6267 1.7831 1.7831 2.3181 2.3181 3.6891 3.6891 5.5062 5.5062 5.9516 5.9516 5.9661 5.9661 6.6035 6.6035 6.7330 6.7330 8.0416 8.0416 8.0478 8.0478 8.3022 8.3022 8.7874 8.7874 11.1579 11.1579 12.2765 12.2765 12.3002 12.3002 15.3564 15.3564 15.5747 15.5747 15.8708 15.8708 16.1927 16.1927 k = 0.0000 0.4643-0.0000 ( 3224 PWs) bands (ev): -30.2906 -30.2906 -30.2600 -30.2600 -11.5028 -11.5028 -11.3798 -11.3798 -10.2352 -10.2352 -10.0740 -10.0740 -9.8432 -9.8432 -9.8391 -9.8391 -4.2766 -4.2766 -3.6084 -3.6084 -1.6548 -1.6548 1.7916 1.7916 2.2979 2.2979 3.6962 3.6962 5.5128 5.5128 5.9674 5.9674 5.9809 5.9809 6.6281 6.6281 6.7431 6.7431 7.9968 7.9968 8.0312 8.0312 8.2836 8.2836 8.7994 8.7994 11.1533 11.1533 12.2889 12.2889 12.2956 12.2956 15.4024 15.4024 15.6429 15.6429 15.9338 15.9338 16.2044 16.2044 k = 0.0000 0.4762-0.0000 ( 3230 PWs) bands (ev): -30.2905 -30.2905 -30.2600 -30.2600 -11.5028 -11.5028 -11.3806 -11.3806 -10.2354 -10.2354 -10.0754 -10.0754 -9.8430 -9.8430 -9.8395 -9.8395 -4.2745 -4.2745 -3.5975 -3.5975 -1.6752 -1.6752 1.7982 1.7982 2.2830 2.2830 3.7014 3.7014 5.5177 5.5177 5.9699 5.9699 6.0006 6.0006 6.6458 6.6458 6.7512 6.7512 7.9634 7.9634 8.0193 8.0193 8.2702 8.2702 8.8078 8.8078 11.1499 11.1499 12.2807 12.2807 12.3096 12.3096 15.4391 15.4391 15.6973 15.6973 15.9831 15.9831 16.2130 16.2130 k = 0.0000 0.4881-0.0000 ( 3242 PWs) bands (ev): -30.2905 -30.2905 -30.2599 -30.2599 -11.5027 -11.5027 -11.3810 -11.3810 -10.2355 -10.2355 -10.0762 -10.0762 -9.8429 -9.8429 -9.8398 -9.8398 -4.2733 -4.2733 -3.5908 -3.5908 -1.6876 -1.6876 1.8023 1.8023 2.2738 2.2738 3.7045 3.7045 5.5206 5.5206 5.9712 5.9712 6.0128 6.0128 6.6564 6.6564 6.7566 6.7566 7.9427 7.9427 8.0122 8.0122 8.2621 8.2621 8.8128 8.8128 11.1479 11.1479 12.2758 12.2758 12.3182 12.3182 15.4631 15.4631 15.7328 15.7328 16.0148 16.0148 16.2182 16.2182 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -30.2904 -30.2904 -30.2599 -30.2599 -11.5027 -11.5027 -11.3812 -11.3812 -10.2355 -10.2355 -10.0765 -10.0765 -9.8428 -9.8428 -9.8398 -9.8398 -4.2729 -4.2729 -3.5886 -3.5886 -1.6918 -1.6918 1.8037 1.8037 2.2707 2.2707 3.7056 3.7056 5.5216 5.5216 5.9717 5.9717 6.0169 6.0169 6.6600 6.6600 6.7585 6.7585 7.9357 7.9357 8.0098 8.0098 8.2594 8.2594 8.8145 8.8145 11.1473 11.1473 12.2742 12.2742 12.3210 12.3210 15.4715 15.4715 15.7452 15.7452 16.0258 16.0258 16.2199 16.2199 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -30.2904 -30.2904 -30.2599 -30.2599 -11.5027 -11.5027 -11.3812 -11.3812 -10.2355 -10.2355 -10.0765 -10.0765 -9.8428 -9.8428 -9.8398 -9.8398 -4.2729 -4.2729 -3.5886 -3.5886 -1.6918 -1.6918 1.8037 1.8037 2.2707 2.2707 3.7056 3.7056 5.5216 5.5216 5.9717 5.9717 6.0169 6.0169 6.6600 6.6600 6.7585 6.7585 7.9357 7.9357 8.0098 8.0098 8.2594 8.2594 8.8145 8.8145 11.1473 11.1473 12.2742 12.2742 12.3210 12.3210 15.4715 15.4715 15.7452 15.7452 16.0258 16.0258 16.2199 16.2199 k = 0.0119 0.5000-0.0000 ( 3238 PWs) bands (ev): -30.2904 -30.2904 -30.2599 -30.2599 -11.5027 -11.5027 -11.3812 -11.3812 -10.2354 -10.2354 -10.0765 -10.0765 -9.8431 -9.8431 -9.8400 -9.8400 -4.2721 -4.2721 -3.5883 -3.5883 -1.6914 -1.6914 1.7938 1.7938 2.2711 2.2711 3.7163 3.7163 5.5199 5.5199 5.9633 5.9633 6.0179 6.0179 6.6612 6.6612 6.7598 6.7598 7.9363 7.9363 7.9908 7.9908 8.2695 8.2695 8.8345 8.8345 11.1450 11.1450 12.2669 12.2669 12.3237 12.3237 15.4767 15.4767 15.7531 15.7531 16.0183 16.0183 16.2025 16.2025 k = 0.0238 0.5000-0.0000 ( 3228 PWs) bands (ev): -30.2903 -30.2903 -30.2598 -30.2598 -11.5027 -11.5027 -11.3814 -11.3814 -10.2352 -10.2352 -10.0764 -10.0764 -9.8441 -9.8441 -9.8405 -9.8405 -4.2698 -4.2698 -3.5874 -3.5874 -1.6903 -1.6903 1.7647 1.7647 2.2724 2.2724 3.7478 3.7478 5.5150 5.5150 5.9386 5.9386 6.0207 6.0207 6.6649 6.6649 6.7637 6.7637 7.9367 7.9367 7.9402 7.9402 8.2994 8.2994 8.8896 8.8896 11.1383 11.1383 12.2451 12.2451 12.3315 12.3315 15.4922 15.4922 15.7753 15.7753 15.9965 15.9965 16.1151 16.1151 k = 0.0357 0.5000-0.0000 ( 3226 PWs) bands (ev): -30.2903 -30.2903 -30.2597 -30.2597 -11.5026 -11.5026 -11.3816 -11.3816 -10.2349 -10.2349 -10.0764 -10.0764 -9.8457 -9.8457 -9.8413 -9.8413 -4.2660 -4.2660 -3.5859 -3.5859 -1.6885 -1.6885 1.7183 1.7183 2.2746 2.2746 3.7983 3.7983 5.5069 5.5069 5.8989 5.8989 6.0255 6.0255 6.6708 6.6708 6.7702 6.7702 7.8634 7.8634 7.9414 7.9414 8.3478 8.3478 8.9699 8.9699 11.1273 11.1273 12.2096 12.2096 12.3446 12.3446 15.5179 15.5179 15.8010 15.8010 15.9618 15.9618 16.0091 16.0091 k = 0.0476 0.5000-0.0000 ( 3230 PWs) bands (ev): -30.2901 -30.2901 -30.2596 -30.2596 -11.5025 -11.5025 -11.3820 -11.3820 -10.2345 -10.2345 -10.0764 -10.0764 -9.8478 -9.8478 -9.8426 -9.8426 -4.2606 -4.2606 -3.5838 -3.5838 -1.6860 -1.6860 1.6570 1.6570 2.2776 2.2776 3.8653 3.8653 5.4957 5.4957 5.8461 5.8461 6.0321 6.0321 6.6785 6.6785 6.7791 6.7791 7.7742 7.7742 7.9456 7.9456 8.4128 8.4128 9.0666 9.0666 11.1122 11.1122 12.1616 12.1616 12.3629 12.3629 15.5534 15.5534 15.7722 15.7722 15.9170 15.9170 15.9565 15.9565 k = 0.0595 0.5000-0.0000 ( 3240 PWs) bands (ev): -30.2900 -30.2900 -30.2595 -30.2595 -11.5024 -11.5024 -11.3825 -11.3825 -10.2340 -10.2340 -10.0765 -10.0765 -9.8503 -9.8503 -9.8443 -9.8443 -4.2537 -4.2537 -3.5812 -3.5812 -1.6828 -1.6828 1.5836 1.5836 2.2815 2.2815 3.9459 3.9459 5.4819 5.4819 5.7821 5.7821 6.0406 6.0406 6.6874 6.6874 6.7905 6.7905 7.6772 7.6772 7.9511 7.9511 8.4925 8.4925 9.1737 9.1737 11.0935 11.0935 12.1025 12.1025 12.3863 12.3863 15.5979 15.5979 15.6525 15.6525 15.8636 15.8636 16.0013 16.0013 k = 0.0714 0.5000-0.0000 ( 3244 PWs) bands (ev): -30.2898 -30.2898 -30.2593 -30.2593 -11.5023 -11.5023 -11.3831 -11.3831 -10.2333 -10.2333 -10.0765 -10.0765 -9.8533 -9.8533 -9.8464 -9.8464 -4.2453 -4.2453 -3.5781 -3.5781 -1.6789 -1.6789 1.5005 1.5005 2.2864 2.2864 4.0377 4.0377 5.4655 5.4655 5.7091 5.7091 6.0510 6.0510 6.6969 6.6969 6.8042 6.8042 7.5765 7.5765 7.9577 7.9577 8.5846 8.5846 9.2877 9.2877 11.0715 11.0715 12.0339 12.0339 12.4148 12.4148 15.5041 15.5041 15.6526 15.6526 15.8032 15.8032 16.0818 16.0818 k = 0.0833 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2896 -30.2896 -30.2591 -30.2591 -11.5022 -11.5022 -11.3838 -11.3838 -10.2325 -10.2325 -10.0766 -10.0766 -9.8567 -9.8567 -9.8489 -9.8489 -4.2354 -4.2354 -3.5744 -3.5744 -1.6744 -1.6744 1.4100 1.4100 2.2922 2.2922 4.1383 4.1383 5.4468 5.4468 5.6291 5.6291 6.0632 6.0632 6.7058 6.7058 6.8202 6.8202 7.4751 7.4751 7.9654 7.9654 8.6872 8.6872 9.4064 9.4064 11.0467 11.0467 11.9572 11.9572 12.4484 12.4484 15.3491 15.3491 15.7130 15.7130 15.7391 15.7391 16.1778 16.1778 k = 0.0952 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2893 -30.2893 -30.2588 -30.2588 -11.5020 -11.5020 -11.3845 -11.3845 -10.2317 -10.2317 -10.0767 -10.0767 -9.8604 -9.8604 -9.8518 -9.8518 -4.2239 -4.2239 -3.5703 -3.5703 -1.6691 -1.6691 1.3139 1.3139 2.2991 2.2991 4.2459 4.2459 5.4261 5.4261 5.5438 5.5438 6.0773 6.0773 6.7124 6.7124 6.8382 6.8382 7.3759 7.3759 7.9741 7.9741 8.7987 8.7987 9.5285 9.5285 11.0197 11.0197 11.8740 11.8740 12.4870 12.4870 15.1909 15.1909 15.6664 15.6664 15.7856 15.7856 16.2636 16.2636 k = 0.1071 0.5000-0.0000 ( 3248 PWs) bands (ev): -30.2890 -30.2890 -30.2585 -30.2585 -11.5018 -11.5018 -11.3854 -11.3854 -10.2307 -10.2307 -10.0768 -10.0768 -9.8645 -9.8645 -9.8551 -9.8551 -4.2110 -4.2110 -3.5658 -3.5658 -1.6633 -1.6633 1.2137 1.2137 2.3070 2.3070 4.3589 4.3589 5.4031 5.4031 5.4554 5.4554 6.0933 6.0933 6.7140 6.7140 6.8582 6.8582 7.2819 7.2819 7.9838 7.9838 8.9175 8.9175 9.6530 9.6530 10.9909 10.9909 11.7858 11.7858 12.5305 12.5305 15.0314 15.0314 15.5936 15.5936 15.8624 15.8624 16.2791 16.2791 k = 0.1190 0.5000-0.0000 ( 3260 PWs) bands (ev): -30.2887 -30.2887 -30.2582 -30.2582 -11.5017 -11.5017 -11.3864 -11.3864 -10.2297 -10.2297 -10.0771 -10.0771 -9.8688 -9.8688 -9.8587 -9.8587 -4.1967 -4.1967 -3.5609 -3.5609 -1.6569 -1.6569 1.1105 1.1105 2.3161 2.3161 4.4758 4.4758 5.3581 5.3581 5.3850 5.3850 6.1110 6.1110 6.7065 6.7065 6.8799 6.8799 7.1979 7.1979 7.9944 7.9944 9.0424 9.0424 9.7794 9.7794 10.9610 10.9610 11.6938 11.6938 12.5788 12.5788 14.8714 14.8714 15.5183 15.5183 15.9456 15.9456 16.2884 16.2884 k = 0.1310 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2883 -30.2883 -30.2579 -30.2579 -11.5015 -11.5015 -11.3875 -11.3875 -10.2285 -10.2285 -10.0774 -10.0774 -9.8733 -9.8733 -9.8626 -9.8626 -4.1808 -4.1808 -3.5556 -3.5556 -1.6498 -1.6498 1.0053 1.0053 2.3263 2.3263 4.5955 4.5955 5.2677 5.2677 5.3576 5.3576 6.1306 6.1306 6.6842 6.6842 6.9031 6.9031 7.1296 7.1296 8.0057 8.0057 9.1723 9.1723 9.9073 9.9073 10.9304 10.9304 11.5991 11.5991 12.6318 12.6318 14.7116 14.7116 15.4414 15.4414 16.0339 16.0339 16.2962 16.2962 k = 0.1429 0.5000-0.0000 ( 3248 PWs) bands (ev): -30.2879 -30.2879 -30.2575 -30.2575 -11.5013 -11.5013 -11.3887 -11.3887 -10.2273 -10.2273 -10.0778 -10.0778 -9.8780 -9.8780 -9.8668 -9.8668 -4.1636 -4.1636 -3.5500 -3.5500 -1.6423 -1.6423 0.8988 0.8988 2.3379 2.3379 4.7161 4.7161 5.1753 5.1753 5.3314 5.3314 6.1520 6.1520 6.6420 6.6420 6.9277 6.9277 7.0824 7.0824 8.0177 8.0177 9.3065 9.3065 10.0363 10.0363 10.8997 10.8997 11.5028 11.5028 12.6895 12.6895 14.5524 14.5524 15.3634 15.3634 16.1263 16.1263 16.3022 16.3022 k = 0.1548 0.5000-0.0000 ( 3248 PWs) bands (ev): -30.2875 -30.2875 -30.2571 -30.2571 -11.5011 -11.5011 -11.3900 -11.3900 -10.2260 -10.2260 -10.0784 -10.0784 -9.8828 -9.8828 -9.8713 -9.8713 -4.1450 -4.1450 -3.5442 -3.5442 -1.6342 -1.6342 0.7916 0.7916 2.3507 2.3507 4.8331 4.8331 5.0878 5.0878 5.3047 5.3047 6.1751 6.1751 6.5792 6.5792 6.9535 6.9535 7.0570 7.0570 8.0301 8.0301 9.4441 9.4441 10.1661 10.1661 10.8694 10.8694 11.4058 11.4058 12.7517 12.7517 14.3941 14.3941 15.2848 15.2848 16.2207 16.2207 16.3067 16.3067 k = 0.1667 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2871 -30.2871 -30.2567 -30.2567 -11.5009 -11.5009 -11.3914 -11.3914 -10.2247 -10.2247 -10.0792 -10.0792 -9.8877 -9.8877 -9.8759 -9.8759 -4.1250 -4.1250 -3.5382 -3.5382 -1.6257 -1.6257 0.6842 0.6842 2.3649 2.3649 4.9107 4.9107 5.0410 5.0410 5.2772 5.2772 6.2000 6.2000 6.5005 6.5005 6.9801 6.9801 7.0488 7.0488 8.0429 8.0429 9.5845 9.5845 10.2965 10.2965 10.8399 10.8399 11.3089 11.3089 12.8183 12.8183 14.2369 14.2369 15.2059 15.2059 16.2966 16.2966 16.3281 16.3281 k = 0.1786 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2867 -30.2867 -30.2563 -30.2563 -11.5007 -11.5007 -11.3929 -11.3929 -10.2233 -10.2233 -10.0801 -10.0801 -9.8926 -9.8926 -9.8807 -9.8807 -4.1036 -4.1036 -3.5320 -3.5320 -1.6167 -1.6167 0.5771 0.5771 2.3805 2.3805 4.8613 4.8613 5.1223 5.1223 5.2489 5.2489 6.2265 6.2265 6.4119 6.4119 7.0072 7.0072 7.0523 7.0523 8.0559 8.0559 9.7271 9.7271 10.4273 10.4273 10.8118 10.8118 11.2130 11.2130 12.8892 12.8892 14.0811 14.0811 15.1271 15.1271 16.3003 16.3003 16.4174 16.4174 k = 0.1905 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2862 -30.2862 -30.2559 -30.2559 -11.5006 -11.5006 -11.3945 -11.3945 -10.2219 -10.2219 -10.0812 -10.0812 -9.8974 -9.8974 -9.8856 -9.8856 -4.0810 -4.0810 -3.5257 -3.5257 -1.6074 -1.6074 0.4706 0.4706 2.3977 2.3977 4.7751 4.7751 5.2199 5.2199 5.2417 5.2417 6.2542 6.2542 6.3184 6.3184 7.0344 7.0344 7.0631 7.0631 8.0688 8.0688 9.8715 9.8715 10.5583 10.5583 10.7853 10.7853 11.1186 11.1186 12.9643 12.9643 13.9267 13.9267 15.0485 15.0485 16.2943 16.2943 16.5088 16.5088 k = 0.2024 0.5000-0.0000 ( 3260 PWs) bands (ev): -30.2858 -30.2858 -30.2555 -30.2555 -11.5004 -11.5004 -11.3961 -11.3961 -10.2205 -10.2205 -10.0825 -10.0825 -9.9022 -9.9022 -9.8906 -9.8906 -4.0571 -4.0571 -3.5194 -3.5194 -1.5977 -1.5977 0.3649 0.3649 2.4165 2.4165 4.6852 4.6852 5.1900 5.1900 5.3659 5.3659 6.2195 6.2195 6.2865 6.2865 7.0609 7.0609 7.0791 7.0791 8.0814 8.0814 10.0172 10.0172 10.6891 10.6891 10.7610 10.7610 11.0266 11.0266 13.0433 13.0433 13.7740 13.7740 14.9703 14.9703 16.2834 16.2834 16.5927 16.5927 k = 0.2143 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2853 -30.2853 -30.2550 -30.2550 -11.5003 -11.5003 -11.3979 -11.3979 -10.2190 -10.2190 -10.0840 -10.0840 -9.9068 -9.9068 -9.8956 -9.8956 -4.0320 -4.0320 -3.5130 -3.5130 -1.5879 -1.5879 0.2605 0.2605 2.4370 2.4370 4.5956 4.5956 5.1590 5.1590 5.4909 5.4909 6.1231 6.1231 6.3176 6.3176 7.0849 7.0849 7.0999 7.0999 8.0933 8.0933 10.1638 10.1638 10.7385 10.7385 10.8202 10.8202 10.9375 10.9375 13.1262 13.1262 13.6231 13.6231 14.8928 14.8928 16.2676 16.2676 16.6511 16.6512 k = 0.2262 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2848 -30.2848 -30.2545 -30.2545 -11.5001 -11.5001 -11.3997 -11.3997 -10.2175 -10.2175 -10.0857 -10.0857 -9.9113 -9.9113 -9.9006 -9.9006 -4.0058 -4.0058 -3.5067 -3.5067 -1.5778 -1.5778 0.1575 0.1575 2.4592 2.4592 4.5073 4.5073 5.1267 5.1267 5.6155 5.6155 6.0270 6.0270 6.3510 6.3510 7.1062 7.1062 7.1247 7.1247 8.1044 8.1044 10.3109 10.3109 10.7189 10.7189 10.8521 10.8521 10.9504 10.9504 13.2127 13.2127 13.4742 13.4742 14.8160 14.8160 16.2469 16.2469 16.6596 16.6596 k = 0.2381 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2843 -30.2843 -30.2541 -30.2541 -11.5000 -11.5000 -11.4015 -11.4015 -10.2161 -10.2161 -10.0877 -10.0877 -9.9156 -9.9156 -9.9054 -9.9054 -3.9784 -3.9784 -3.5004 -3.5004 -1.5676 -1.5676 0.0562 0.0562 2.4831 2.4831 4.4209 4.4209 5.0927 5.0927 5.7390 5.7390 5.9329 5.9329 6.3860 6.3860 7.1263 7.1263 7.1509 7.1509 8.1142 8.1142 10.4581 10.4581 10.7013 10.7013 10.7718 10.7718 11.0800 11.0800 13.3000 13.3000 13.3299 13.3299 14.7401 14.7401 16.2212 16.2212 16.6614 16.6614 k = 0.2500 0.5000-0.0000 ( 3264 PWs) bands (ev): -30.2838 -30.2838 -30.2536 -30.2536 -11.4999 -11.4999 -11.4035 -11.4035 -10.2146 -10.2146 -10.0900 -10.0900 -9.9198 -9.9198 -9.9101 -9.9101 -3.9501 -3.9501 -3.4942 -3.4942 -1.5574 -1.5574 -0.0432 -0.0432 2.5090 2.5090 4.3367 4.3367 5.0564 5.0564 5.8418 5.8418 5.8612 5.8612 6.4227 6.4227 7.1461 7.1461 7.1770 7.1770 8.1223 8.1223 10.6050 10.6050 10.6781 10.6781 10.7049 10.7049 11.2086 11.2086 13.1814 13.1814 13.3970 13.3970 14.6650 14.6650 16.1909 16.1909 16.6654 16.6654 k = 0.2619 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2833 -30.2833 -30.2531 -30.2531 -11.4998 -11.4998 -11.4054 -11.4054 -10.2132 -10.2132 -10.0924 -10.0924 -9.9238 -9.9238 -9.9145 -9.9145 -3.9209 -3.9209 -3.4882 -3.4882 -1.5472 -1.5472 -0.1405 -0.1405 2.5367 2.5367 4.2551 4.2551 5.0173 5.0173 5.7550 5.7550 5.9809 5.9809 6.4610 6.4610 7.1656 7.1656 7.2024 7.2024 8.1283 8.1283 10.6177 10.6177 10.6831 10.6831 10.7518 10.7518 11.3359 11.3359 13.0388 13.0388 13.4933 13.4933 14.5910 14.5910 16.1563 16.1563 16.6726 16.6726 k = 0.2738 0.5000-0.0000 ( 3248 PWs) bands (ev): -30.2828 -30.2828 -30.2526 -30.2526 -11.4997 -11.4997 -11.4074 -11.4074 -10.2118 -10.2118 -10.0951 -10.0951 -9.9278 -9.9278 -9.9186 -9.9186 -3.8908 -3.8908 -3.4823 -3.4823 -1.5372 -1.5372 -0.2354 -0.2354 2.5664 2.5664 4.1761 4.1761 4.9748 4.9748 5.6731 5.6731 6.0985 6.0985 6.5009 6.5009 7.1848 7.1848 7.2268 7.2268 8.1318 8.1318 10.5535 10.5535 10.6749 10.6749 10.8972 10.8972 11.4618 11.4618 12.8984 12.8984 13.5925 13.5925 14.5180 14.5180 16.1179 16.1179 16.6832 16.6832 k = 0.2857 0.5000-0.0000 ( 3244 PWs) bands (ev): -30.2823 -30.2823 -30.2522 -30.2522 -11.4997 -11.4997 -11.4095 -11.4095 -10.2104 -10.2104 -10.0980 -10.0980 -9.9318 -9.9318 -9.9223 -9.9223 -3.8600 -3.8600 -3.4766 -3.4766 -1.5275 -1.5275 -0.3277 -0.3277 2.5982 2.5982 4.1001 4.1001 4.9279 4.9279 5.5973 5.5973 6.2132 6.2132 6.5422 6.5422 7.2034 7.2034 7.2501 7.2501 8.1324 8.1324 10.4949 10.4949 10.6707 10.6707 11.0415 11.0415 11.5857 11.5857 12.7603 12.7603 13.6943 13.6943 14.4460 14.4460 16.0764 16.0764 16.6975 16.6975 k = 0.2976 0.5000-0.0000 ( 3244 PWs) bands (ev): -30.2818 -30.2818 -30.2517 -30.2517 -11.4996 -11.4996 -11.4115 -11.4115 -10.2090 -10.2090 -10.1010 -10.1010 -9.9358 -9.9358 -9.9254 -9.9254 -3.8286 -3.8286 -3.4712 -3.4712 -1.5182 -1.5182 -0.4171 -0.4171 2.6319 2.6319 4.0272 4.0272 4.8763 4.8763 5.5283 5.5283 6.3248 6.3248 6.5851 6.5851 7.2214 7.2214 7.2719 7.2719 8.1296 8.1296 10.4431 10.4431 10.6697 10.6697 11.1842 11.1842 11.7075 11.7075 12.6246 12.6246 13.7984 13.7984 14.3750 14.3750 16.0322 16.0322 16.7154 16.7154 k = 0.3095 0.5000-0.0000 ( 3254 PWs) bands (ev): -30.2813 -30.2813 -30.2513 -30.2513 -11.4996 -11.4996 -11.4136 -11.4136 -10.2077 -10.2077 -10.1042 -10.1042 -9.9397 -9.9397 -9.9281 -9.9281 -3.7968 -3.7968 -3.4660 -3.4660 -1.5095 -1.5095 -0.5034 -0.5034 2.6678 2.6678 3.9575 3.9575 4.8195 4.8195 5.4666 5.4666 6.4328 6.4328 6.6294 6.6294 7.2387 7.2387 7.2923 7.2923 8.1230 8.1230 10.3989 10.3989 10.6719 10.6719 11.3250 11.3250 11.8267 11.8267 12.4915 12.4915 13.9042 13.9042 14.3050 14.3050 15.9861 15.9861 16.7369 16.7369 k = 0.3214 0.5000-0.0000 ( 3250 PWs) bands (ev): -30.2809 -30.2809 -30.2508 -30.2508 -11.4995 -11.4995 -11.4156 -11.4156 -10.2065 -10.2065 -10.1075 -10.1075 -9.9436 -9.9436 -9.9304 -9.9304 -3.7647 -3.7647 -3.4611 -3.4611 -1.5015 -1.5015 -0.5862 -0.5862 2.7057 2.7057 3.8913 3.8913 4.7575 4.7575 5.4124 5.4124 6.5369 6.5369 6.6751 6.6751 7.2553 7.2553 7.3112 7.3112 8.1122 8.1122 10.3627 10.3627 10.6768 10.6768 11.4635 11.4635 11.9429 11.9429 12.3610 12.3610 14.0112 14.0112 14.2360 14.2360 15.9385 15.9385 16.7621 16.7621 k = 0.3333 0.5000-0.0000 ( 3250 PWs) bands (ev): -30.2804 -30.2804 -30.2504 -30.2504 -11.4995 -11.4995 -11.4176 -11.4176 -10.2052 -10.2052 -10.1108 -10.1108 -9.9473 -9.9473 -9.9323 -9.9323 -3.7325 -3.7325 -3.4564 -3.4564 -1.4944 -1.4944 -0.6652 -0.6652 2.7457 2.7457 3.8286 3.8286 4.6908 4.6908 5.3654 5.3654 6.6366 6.6366 6.7221 6.7221 7.2709 7.2709 7.3284 7.3284 8.0970 8.0970 10.3349 10.3349 10.6842 10.6842 11.5995 11.5995 12.0556 12.0556 12.2332 12.2332 14.1184 14.1184 14.1685 14.1685 15.8902 15.8902 16.7909 16.7909 k = 0.3452 0.5000-0.0000 ( 3254 PWs) bands (ev): -30.2800 -30.2800 -30.2500 -30.2500 -11.4995 -11.4995 -11.4195 -11.4195 -10.2041 -10.2041 -10.1142 -10.1142 -9.9509 -9.9509 -9.9338 -9.9338 -3.7004 -3.7004 -3.4519 -3.4519 -1.4884 -1.4884 -0.7400 -0.7400 2.7878 2.7878 3.7695 3.7695 4.6198 4.6198 5.3252 5.3252 6.7317 6.7317 6.7704 6.7704 7.2857 7.2857 7.3441 7.3441 8.0773 8.0773 10.3156 10.3156 10.6939 10.6939 11.7325 11.7325 12.1083 12.1083 12.1646 12.1646 14.0997 14.0997 14.2279 14.2279 15.8416 15.8416 16.8234 16.8234 k = 0.3571 0.5000-0.0000 ( 3256 PWs) bands (ev): -30.2796 -30.2796 -30.2496 -30.2496 -11.4995 -11.4995 -11.4214 -11.4214 -10.2030 -10.2030 -10.1175 -10.1175 -9.9543 -9.9543 -9.9351 -9.9351 -3.6687 -3.6687 -3.4478 -3.4478 -1.4839 -1.4839 -0.8101 -0.8101 2.8319 2.8319 3.7143 3.7143 4.5457 4.5457 5.2909 5.2909 6.8198 6.8198 6.8218 6.8218 7.2996 7.2996 7.3581 7.3581 8.0529 8.0529 10.3051 10.3051 10.7053 10.7053 11.8623 11.8623 11.9862 11.9862 12.2691 12.2691 14.0331 14.0331 14.3351 14.3351 15.7935 15.7935 16.8594 16.8594 k = 0.3690 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2792 -30.2792 -30.2493 -30.2493 -11.4995 -11.4995 -11.4232 -11.4232 -10.2019 -10.2019 -10.1207 -10.1207 -9.9574 -9.9574 -9.9362 -9.9362 -3.6376 -3.6376 -3.4439 -3.4439 -1.4810 -1.4810 -0.8751 -0.8751 2.8781 2.8781 3.6631 3.6631 4.4692 4.4692 5.2619 5.2619 6.8706 6.8706 6.9063 6.9063 7.3124 7.3124 7.3706 7.3706 8.0240 8.0240 10.3034 10.3034 10.7182 10.7182 11.8671 11.8671 11.9886 11.9886 12.3689 12.3689 13.9670 13.9670 14.4409 14.4409 15.7465 15.7465 16.8988 16.8988 k = 0.3810 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2789 -30.2789 -30.2489 -30.2489 -11.4995 -11.4995 -11.4249 -11.4249 -10.2010 -10.2010 -10.1239 -10.1239 -9.9603 -9.9603 -9.9370 -9.9370 -3.6075 -3.6075 -3.4402 -3.4402 -1.4801 -1.4801 -0.9344 -0.9344 2.9262 2.9262 3.6158 3.6158 4.3913 4.3913 5.2372 5.2372 6.9224 6.9224 6.9850 6.9850 7.3242 7.3242 7.3817 7.3817 7.9908 7.9908 10.3102 10.3102 10.7320 10.7320 11.7511 11.7511 12.1110 12.1110 12.4631 12.4631 13.9012 13.9012 14.5440 14.5440 15.7013 15.7013 16.9413 16.9413 k = 0.3929 0.5000-0.0000 ( 3248 PWs) bands (ev): -30.2786 -30.2786 -30.2486 -30.2486 -11.4995 -11.4995 -11.4266 -11.4266 -10.2000 -10.2000 -10.1269 -10.1269 -9.9630 -9.9630 -9.9377 -9.9377 -3.5787 -3.5787 -3.4367 -3.4367 -1.4814 -1.4814 -0.9874 -0.9874 2.9761 2.9761 3.5728 3.5728 4.3127 4.3127 5.2163 5.2163 6.9752 6.9752 7.0575 7.0575 7.3350 7.3350 7.3913 7.3913 7.9535 7.9535 10.3253 10.3253 10.7464 10.7464 11.6383 11.6383 12.2293 12.2293 12.5514 12.5514 13.8358 13.8358 14.6430 14.6430 15.6588 15.6588 16.9860 16.9860 k = 0.4048 0.5000-0.0000 ( 3252 PWs) bands (ev): -30.2783 -30.2783 -30.2483 -30.2483 -11.4996 -11.4996 -11.4280 -11.4280 -10.1992 -10.1992 -10.1297 -10.1297 -9.9653 -9.9653 -9.9382 -9.9382 -3.5516 -3.5516 -3.4333 -3.4333 -1.4851 -1.4851 -1.0337 -1.0337 3.0277 3.0277 3.5340 3.5340 4.2343 4.2343 5.1987 5.1987 7.0288 7.0288 7.1234 7.1234 7.3447 7.3447 7.3996 7.3996 7.9125 7.9125 10.3485 10.3485 10.7608 10.7608 11.5288 11.5288 12.3431 12.3431 12.6331 12.6331 13.7706 13.7706 14.7365 14.7365 15.6199 15.6199 17.0298 17.0298 k = 0.4167 0.5000-0.0000 ( 3260 PWs) bands (ev): -30.2780 -30.2780 -30.2481 -30.2481 -11.4996 -11.4996 -11.4294 -11.4294 -10.1984 -10.1984 -10.1323 -10.1323 -9.9674 -9.9674 -9.9386 -9.9386 -3.5268 -3.5268 -3.4300 -3.4300 -1.4911 -1.4911 -1.0730 -1.0730 3.0806 3.0806 3.4996 3.4996 4.1567 4.1567 5.1840 5.1840 7.0832 7.0832 7.1825 7.1825 7.3533 7.3533 7.4067 7.4067 7.8683 7.8683 10.3792 10.3792 10.7748 10.7748 11.4228 11.4228 12.4521 12.4521 12.7074 12.7074 13.7056 13.7056 14.8226 14.8226 15.5856 15.5856 17.0592 17.0592 k = 0.4286 0.5000-0.0000 ( 3258 PWs) bands (ev): -30.2778 -30.2778 -30.2479 -30.2479 -11.4996 -11.4996 -11.4306 -11.4306 -10.1977 -10.1977 -10.1347 -10.1347 -9.9692 -9.9692 -9.9390 -9.9390 -3.5047 -3.5047 -3.4266 -3.4266 -1.4992 -1.4992 -1.1052 -1.1052 3.1345 3.1345 3.4697 3.4697 4.0808 4.0808 5.1717 5.1717 7.1380 7.1380 7.2345 7.2345 7.3608 7.3608 7.4127 7.4127 7.8213 7.8213 10.4171 10.4171 10.7880 10.7880 11.3204 11.3204 12.5558 12.5558 12.7738 12.7738 13.6407 13.6407 14.8994 14.8994 15.5568 15.5568 17.0683 17.0683 k = 0.4405 0.5000-0.0000 ( 3268 PWs) bands (ev): -30.2776 -30.2776 -30.2477 -30.2477 -11.4996 -11.4996 -11.4317 -11.4317 -10.1971 -10.1971 -10.1367 -10.1367 -9.9708 -9.9708 -9.9392 -9.9392 -3.4859 -3.4859 -3.4229 -3.4229 -1.5086 -1.5086 -1.1308 -1.1308 3.1887 3.1887 3.4444 3.4444 4.0074 4.0074 5.1617 5.1617 7.1932 7.1932 7.2789 7.2789 7.3672 7.3672 7.4178 7.4178 7.7721 7.7721 10.4618 10.4618 10.7998 10.7998 11.2219 11.2219 12.6538 12.6538 12.8316 12.8316 13.5763 13.5763 14.9649 14.9649 15.5346 15.5346 17.0712 17.0712 k = 0.4524 0.5000-0.0000 ( 3272 PWs) bands (ev): -30.2774 -30.2774 -30.2475 -30.2475 -11.4996 -11.4996 -11.4325 -11.4325 -10.1965 -10.1965 -10.1385 -10.1385 -9.9720 -9.9720 -9.9394 -9.9394 -3.4710 -3.4710 -3.4188 -3.4188 -1.5184 -1.5184 -1.1501 -1.1501 3.2418 3.2418 3.4240 3.4240 3.9379 3.9379 5.1538 5.1538 7.2482 7.2482 7.3156 7.3156 7.3724 7.3724 7.4219 7.4219 7.7214 7.7214 10.5126 10.5126 10.8098 10.8098 11.1275 11.1275 12.7451 12.7451 12.8799 12.8799 13.5130 13.5130 15.0175 15.0175 15.5194 15.5194 17.0722 17.0722 k = 0.4643 0.5000-0.0000 ( 3272 PWs) bands (ev): -30.2773 -30.2773 -30.2474 -30.2474 -11.4996 -11.4996 -11.4332 -11.4332 -10.1961 -10.1961 -10.1398 -10.1398 -9.9730 -9.9730 -9.9395 -9.9395 -3.4602 -3.4602 -3.4143 -3.4143 -1.5276 -1.5276 -1.1640 -1.1640 3.2918 3.2918 3.4089 3.4089 3.8742 3.8742 5.1478 5.1478 7.3021 7.3021 7.3444 7.3444 7.3765 7.3765 7.4256 7.4256 7.6700 7.6700 10.5690 10.5690 10.8176 10.8176 11.0379 11.0379 12.8278 12.8278 12.9184 12.9184 13.4522 13.4522 15.0566 15.0566 15.5108 15.5108 17.0724 17.0724 k = 0.4762 0.5000-0.0000 ( 3276 PWs) bands (ev): -30.2772 -30.2772 -30.2473 -30.2473 -11.4996 -11.4996 -11.4337 -11.4337 -10.1958 -10.1958 -10.1408 -10.1408 -9.9737 -9.9737 -9.9396 -9.9396 -3.4534 -3.4534 -3.4100 -3.4100 -1.5350 -1.5350 -1.1734 -1.1734 3.3336 3.3336 3.4004 3.4004 3.8201 3.8201 5.1435 5.1435 7.3527 7.3527 7.3650 7.3650 7.3795 7.3795 7.4298 7.4298 7.6195 7.6195 10.6299 10.6299 10.8220 10.8220 10.9548 10.9548 12.8984 12.8984 12.9463 12.9463 13.3975 13.3975 15.0827 15.0827 15.5073 15.5073 17.0723 17.0723 k = 0.4881 0.5000-0.0000 ( 3284 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4996 -11.4996 -11.4340 -11.4340 -10.1956 -10.1956 -10.1415 -10.1415 -9.9741 -9.9741 -9.9396 -9.9396 -3.4497 -3.4497 -3.4069 -3.4069 -1.5399 -1.5399 -1.1787 -1.1787 3.3585 3.3585 3.4014 3.4014 3.7818 3.7818 5.1410 5.1410 7.3772 7.3772 7.3815 7.3815 7.3920 7.3920 7.4380 7.4380 7.5745 7.5745 10.6924 10.6924 10.8180 10.8180 10.8857 10.8857 12.9494 12.9494 12.9632 12.9632 13.3561 13.3561 15.0973 15.0973 15.5066 15.5066 17.0721 17.0721 k = 0.5000 0.5000-0.0000 ( 3284 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4996 -11.4996 -11.4341 -11.4341 -10.1955 -10.1955 -10.1417 -10.1417 -9.9743 -9.9743 -9.9396 -9.9396 -3.4485 -3.4485 -3.4058 -3.4058 -1.5415 -1.5415 -1.1804 -1.1804 3.3644 3.3644 3.4056 3.4056 3.7675 3.7675 5.1402 5.1402 7.3805 7.3805 7.3829 7.3829 7.4052 7.4052 7.4480 7.4480 7.5521 7.5521 10.7341 10.7341 10.7993 10.7993 10.8592 10.8592 12.9688 12.9688 12.9689 12.9689 13.3399 13.3399 15.1020 15.1020 15.5067 15.5067 17.0720 17.0720 k = 0.5000 0.5000-0.0000 ( 3284 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4996 -11.4996 -11.4341 -11.4341 -10.1955 -10.1955 -10.1417 -10.1417 -9.9743 -9.9743 -9.9396 -9.9396 -3.4485 -3.4485 -3.4058 -3.4058 -1.5415 -1.5415 -1.1804 -1.1804 3.3644 3.3644 3.4056 3.4056 3.7675 3.7675 5.1402 5.1402 7.3805 7.3805 7.3829 7.3829 7.4052 7.4052 7.4480 7.4480 7.5521 7.5521 10.7341 10.7341 10.7993 10.7993 10.8592 10.8592 12.9688 12.9688 12.9689 12.9689 13.3399 13.3399 15.1020 15.1020 15.5067 15.5067 17.0720 17.0720 k = 0.4915 0.4915-0.0000 ( 3280 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4996 -11.4996 -11.4340 -11.4340 -10.1956 -10.1956 -10.1415 -10.1415 -9.9741 -9.9741 -9.9396 -9.9396 -3.4497 -3.4497 -3.4070 -3.4070 -1.5398 -1.5398 -1.1787 -1.1787 3.3588 3.3588 3.4010 3.4010 3.7820 3.7820 5.1410 5.1410 7.3781 7.3781 7.3805 7.3805 7.3921 7.3921 7.4375 7.4375 7.5749 7.5749 10.6918 10.6918 10.8187 10.8187 10.8856 10.8856 12.9502 12.9502 12.9620 12.9620 13.3564 13.3564 15.0974 15.0974 15.5066 15.5066 17.0721 17.0721 k = 0.4831 0.4831-0.0000 ( 3276 PWs) bands (ev): -30.2772 -30.2772 -30.2473 -30.2473 -11.4996 -11.4996 -11.4337 -11.4337 -10.1958 -10.1958 -10.1408 -10.1408 -9.9737 -9.9737 -9.9396 -9.9396 -3.4531 -3.4531 -3.4105 -3.4105 -1.5347 -1.5347 -1.1735 -1.1735 3.3367 3.3367 3.3964 3.3964 3.8213 3.8213 5.1436 5.1436 7.3539 7.3539 7.3708 7.3708 7.3734 7.3734 7.4264 7.4264 7.6216 7.6216 10.6275 10.6275 10.8253 10.8253 10.9540 10.9540 12.9013 12.9013 12.9418 12.9418 13.3986 13.3986 15.0834 15.0834 15.5061 15.5061 17.0723 17.0723 k = 0.4746 0.4746-0.0000 ( 3272 PWs) bands (ev): -30.2773 -30.2773 -30.2474 -30.2474 -11.4996 -11.4996 -11.4332 -11.4332 -10.1961 -10.1961 -10.1398 -10.1398 -9.9730 -9.9730 -9.9395 -9.9395 -3.4588 -3.4588 -3.4163 -3.4163 -1.5262 -1.5262 -1.1648 -1.1648 3.2995 3.2995 3.3985 3.3985 3.8774 3.8774 5.1478 5.1478 7.3047 7.3047 7.3585 7.3585 7.3618 7.3618 7.4176 7.4176 7.6757 7.6757 10.5633 10.5633 10.8252 10.8252 11.0360 11.0360 12.8342 12.8342 12.9085 12.9085 13.4548 13.4548 15.0605 15.0605 15.5049 15.5049 17.0725 17.0725 k = 0.4661 0.4661-0.0000 ( 3268 PWs) bands (ev): -30.2774 -30.2774 -30.2475 -30.2475 -11.4996 -11.4996 -11.4325 -11.4325 -10.1965 -10.1965 -10.1384 -10.1384 -9.9720 -9.9720 -9.9394 -9.9394 -3.4666 -3.4666 -3.4242 -3.4242 -1.5144 -1.5144 -1.1529 -1.1529 3.2554 3.2554 3.4050 3.4050 3.9444 3.9444 5.1538 5.1538 7.2518 7.2518 7.3411 7.3411 7.3458 7.3458 7.4076 7.4076 7.7330 7.7330 10.5019 10.5019 10.8233 10.8233 11.1243 11.1243 12.7560 12.7560 12.8629 12.8629 13.5176 13.5176 15.0289 15.0289 15.5026 15.5026 17.0724 17.0725 k = 0.4576 0.4576-0.0000 ( 3260 PWs) bands (ev): -30.2776 -30.2776 -30.2477 -30.2477 -11.4996 -11.4996 -11.4316 -11.4316 -10.1971 -10.1971 -10.1366 -10.1366 -9.9708 -9.9708 -9.9393 -9.9393 -3.4767 -3.4767 -3.4343 -3.4343 -1.4993 -1.4993 -1.1377 -1.1377 3.2092 3.2092 3.4145 3.4145 4.0187 4.0187 5.1615 5.1615 7.1973 7.1973 7.3187 7.3187 7.3255 7.3255 7.3956 7.3956 7.7925 7.7925 10.4438 10.4438 10.8207 10.8207 11.2172 11.2172 12.6706 12.6706 12.8057 12.8057 13.5833 13.5833 14.9892 14.9892 15.4986 15.4986 17.0712 17.0712 k = 0.4492 0.4492-0.0000 ( 3264 PWs) bands (ev): -30.2778 -30.2778 -30.2479 -30.2479 -11.4996 -11.4996 -11.4305 -11.4305 -10.1977 -10.1977 -10.1344 -10.1344 -9.9692 -9.9692 -9.9391 -9.9391 -3.4888 -3.4888 -3.4463 -3.4463 -1.4810 -1.4810 -1.1193 -1.1193 3.1634 3.1634 3.4263 3.4263 4.0985 4.0985 5.1710 5.1710 7.1417 7.1417 7.2916 7.2916 7.3008 7.3008 7.3815 7.3815 7.8538 7.8538 10.3892 10.3892 10.8178 10.8178 11.3143 11.3143 12.5797 12.5797 12.7380 12.7380 13.6502 13.6502 14.9421 14.9421 15.4924 15.4924 17.0615 17.0615 k = 0.4407 0.4407-0.0000 ( 3260 PWs) bands (ev): -30.2780 -30.2780 -30.2481 -30.2481 -11.4996 -11.4996 -11.4292 -11.4292 -10.1984 -10.1984 -10.1318 -10.1318 -9.9674 -9.9674 -9.9389 -9.9389 -3.5030 -3.5030 -3.4601 -3.4601 -1.4597 -1.4597 -1.0979 -1.0979 3.1190 3.1190 3.4404 3.4404 4.1825 4.1825 5.1823 5.1823 7.0852 7.0852 7.2598 7.2598 7.2719 7.2719 7.3653 7.3653 7.9168 7.9168 10.3380 10.3380 10.8151 10.8151 11.4154 11.4154 12.4842 12.4842 12.6608 12.6608 13.7170 13.7170 14.8884 14.8884 15.4834 15.4834 17.0113 17.0113 k = 0.4322 0.4322-0.0000 ( 3262 PWs) bands (ev): -30.2783 -30.2783 -30.2484 -30.2484 -11.4996 -11.4996 -11.4277 -11.4277 -10.1992 -10.1992 -10.1289 -10.1289 -9.9654 -9.9654 -9.9386 -9.9386 -3.5192 -3.5192 -3.4756 -3.4756 -1.4353 -1.4353 -1.0737 -1.0737 3.0770 3.0770 3.4564 3.4564 4.2700 4.2700 5.1955 5.1955 7.0278 7.0278 7.2236 7.2236 7.2388 7.2388 7.3472 7.3472 7.9815 7.9815 10.2903 10.2903 10.8127 10.8127 11.5201 11.5201 12.3847 12.3847 12.5752 12.5752 13.7832 13.7832 14.8292 14.8292 15.4712 15.4712 16.9420 16.9420 k = 0.4237 0.4237-0.0000 ( 3268 PWs) bands (ev): -30.2786 -30.2786 -30.2487 -30.2487 -11.4996 -11.4996 -11.4261 -11.4261 -10.2000 -10.2000 -10.1257 -10.1257 -9.9631 -9.9631 -9.9383 -9.9383 -3.5374 -3.5374 -3.4924 -3.4924 -1.4081 -1.4081 -1.0467 -1.0467 3.0377 3.0377 3.4743 3.4743 4.3606 4.3606 5.2105 5.2105 6.9695 6.9695 7.1830 7.1830 7.2017 7.2017 7.3272 7.3272 8.0479 8.0479 10.2459 10.2459 10.8112 10.8112 11.6283 11.6283 12.2814 12.2814 12.4822 12.4822 13.8476 13.8476 14.7659 14.7659 15.4555 15.4555 16.8706 16.8706 k = 0.4153 0.4153-0.0000 ( 3268 PWs) bands (ev): -30.2790 -30.2790 -30.2490 -30.2490 -11.4995 -11.4995 -11.4242 -11.4242 -10.2008 -10.2008 -10.1222 -10.1222 -9.9605 -9.9605 -9.9380 -9.9380 -3.5574 -3.5574 -3.5104 -3.5104 -1.3781 -1.3781 -1.0172 -1.0172 3.0014 3.0014 3.4939 3.4939 4.4538 4.4538 5.2275 5.2275 6.9102 6.9102 7.1384 7.1384 7.1606 7.1606 7.3056 7.3056 8.1162 8.1162 10.2048 10.2048 10.8109 10.8109 11.7399 11.7399 12.1748 12.1748 12.3829 12.3829 13.9090 13.9090 14.7005 14.7005 15.4364 15.4364 16.7995 16.7995 k = 0.4068 0.4068-0.0000 ( 3260 PWs) bands (ev): -30.2793 -30.2793 -30.2494 -30.2494 -11.4995 -11.4995 -11.4222 -11.4222 -10.2017 -10.2017 -10.1183 -10.1183 -9.9577 -9.9577 -9.9376 -9.9376 -3.5792 -3.5792 -3.5294 -3.5294 -1.3454 -1.3454 -0.9852 -0.9852 2.9684 2.9684 3.5151 3.5151 4.5493 4.5493 5.2464 5.2464 6.8497 6.8497 7.0900 7.0900 7.1158 7.1158 7.2827 7.2827 8.1863 8.1863 10.1669 10.1669 10.8121 10.8121 11.8547 11.8547 12.0650 12.0650 12.2781 12.2781 13.9650 13.9650 14.6361 14.6361 15.4138 15.4138 16.7295 16.7295 k = 0.3983 0.3983-0.0000 ( 3268 PWs) bands (ev): -30.2797 -30.2797 -30.2498 -30.2498 -11.4995 -11.4995 -11.4201 -11.4201 -10.2026 -10.2026 -10.1142 -10.1142 -9.9546 -9.9546 -9.9372 -9.9372 -3.6029 -3.6029 -3.5491 -3.5491 -1.3101 -1.3101 -0.9510 -0.9510 2.9388 2.9388 3.5376 3.5376 4.6468 4.6468 5.2673 5.2673 6.7882 6.7882 7.0380 7.0380 7.0674 7.0674 7.2584 7.2584 8.2583 8.2583 10.1319 10.1319 10.8152 10.8152 11.9519 11.9519 11.9729 11.9729 12.1688 12.1688 14.0112 14.0112 14.5778 14.5778 15.3880 15.3880 16.6609 16.6609 k = 0.3898 0.3898-0.0000 ( 3264 PWs) bands (ev): -30.2802 -30.2802 -30.2502 -30.2502 -11.4995 -11.4995 -11.4178 -11.4178 -10.2035 -10.2035 -10.1097 -10.1097 -9.9514 -9.9514 -9.9367 -9.9367 -3.6282 -3.6282 -3.5693 -3.5693 -1.2725 -1.2725 -0.9146 -0.9146 2.9128 2.9128 3.5614 3.5614 4.7460 4.7460 5.2902 5.2902 6.7255 6.7255 6.9827 6.9827 7.0155 7.0155 7.2332 7.2332 8.3322 8.3322 10.0999 10.0999 10.8207 10.8207 11.8368 11.8368 12.0558 12.0558 12.0933 12.0933 14.0401 14.0401 14.5336 14.5336 15.3593 15.3593 16.5941 16.5941 k = 0.3814 0.3814-0.0000 ( 3264 PWs) bands (ev): -30.2806 -30.2806 -30.2506 -30.2506 -11.4995 -11.4995 -11.4153 -11.4153 -10.2045 -10.2045 -10.1050 -10.1050 -9.9480 -9.9480 -9.9361 -9.9361 -3.6552 -3.6552 -3.5900 -3.5900 -1.2324 -1.2324 -0.8762 -0.8762 2.8904 2.8904 3.5864 3.5864 4.8466 4.8466 5.3149 5.3149 6.6615 6.6615 6.9244 6.9244 6.9605 6.9605 7.2071 7.2071 8.4081 8.4081 10.0706 10.0706 10.8287 10.8287 11.7189 11.7189 11.9398 11.9398 12.2166 12.2166 14.0421 14.0421 14.5138 14.5138 15.3281 15.3281 16.5292 16.5292 k = 0.3729 0.3729-0.0000 ( 3256 PWs) bands (ev): -30.2811 -30.2811 -30.2511 -30.2511 -11.4996 -11.4996 -11.4127 -11.4127 -10.2054 -10.2054 -10.0999 -10.0999 -9.9444 -9.9444 -9.9353 -9.9353 -3.6836 -3.6836 -3.6109 -3.6109 -1.1901 -1.1901 -0.8360 -0.8360 2.8716 2.8716 3.6122 3.6122 4.9482 4.9482 5.3415 5.3415 6.5964 6.5964 6.8636 6.8636 6.9026 6.9026 7.1804 7.1804 8.4859 8.4859 10.0440 10.0440 10.8396 10.8396 11.5987 11.5987 11.8216 11.8216 12.3422 12.3422 14.0122 14.0122 14.5240 14.5240 15.2948 15.2948 16.4663 16.4663 k = 0.3644 0.3644-0.0000 ( 3260 PWs) bands (ev): -30.2817 -30.2817 -30.2516 -30.2516 -11.4996 -11.4996 -11.4099 -11.4099 -10.2063 -10.2063 -10.0947 -10.0947 -9.9410 -9.9410 -9.9341 -9.9341 -3.7135 -3.7135 -3.6319 -3.6319 -1.1457 -1.1457 -0.7940 -0.7940 2.8566 2.8566 3.6389 3.6389 5.0503 5.0503 5.3697 5.3697 6.5300 6.5300 6.8006 6.8006 6.8421 6.8421 7.1533 7.1533 8.5658 8.5658 10.0199 10.0199 10.8539 10.8539 11.4766 11.4766 11.7017 11.7017 12.4700 12.4700 13.9555 13.9555 14.5595 14.5595 15.2600 15.2600 16.4054 16.4054 k = 0.3559 0.3559-0.0000 ( 3256 PWs) bands (ev): -30.2822 -30.2822 -30.2521 -30.2521 -11.4996 -11.4996 -11.4070 -11.4070 -10.2072 -10.2072 -10.0891 -10.0891 -9.9381 -9.9381 -9.9322 -9.9322 -3.7445 -3.7445 -3.6530 -3.6530 -1.0992 -1.0992 -0.7505 -0.7505 2.8454 2.8454 3.6661 3.6661 5.1523 5.1523 5.3994 5.3994 6.4624 6.4624 6.7361 6.7361 6.7794 6.7794 7.1258 7.1258 8.6476 8.6476 9.9982 9.9982 10.8716 10.8716 11.3529 11.3529 11.5809 11.5809 12.5996 12.5996 13.8813 13.8813 14.6117 14.6117 15.2240 15.2240 16.3466 16.3466 k = 0.3475 0.3475-0.0000 ( 3260 PWs) bands (ev): -30.2828 -30.2828 -30.2526 -30.2526 -11.4997 -11.4997 -11.4040 -11.4040 -10.2081 -10.2081 -10.0833 -10.0833 -9.9362 -9.9362 -9.9290 -9.9290 -3.7768 -3.7768 -3.6739 -3.6739 -1.0507 -1.0507 -0.7054 -0.7054 2.8380 2.8380 3.6939 3.6939 5.2535 5.2535 5.4303 5.4303 6.3938 6.3938 6.6708 6.6708 6.7149 6.7149 7.0983 7.0983 8.7313 8.7313 9.9788 9.9788 10.8932 10.8932 11.2277 11.2277 11.4595 11.4595 12.7308 12.7308 13.7966 13.7966 14.6739 14.6739 15.1873 15.1873 16.2899 16.2899 k = 0.3390 0.3390-0.0000 ( 3252 PWs) bands (ev): -30.2834 -30.2834 -30.2532 -30.2532 -11.4998 -11.4998 -11.4009 -11.4009 -10.2090 -10.2090 -10.0772 -10.0772 -9.9349 -9.9349 -9.9250 -9.9250 -3.8100 -3.8100 -3.6947 -3.6947 -1.0004 -1.0004 -0.6589 -0.6589 2.8344 2.8344 3.7220 3.7220 5.3528 5.3528 5.4618 5.4618 6.3240 6.3240 6.6059 6.6059 6.6493 6.6493 7.0708 7.0708 8.8171 8.8171 9.9617 9.9617 10.9187 10.9187 11.1014 11.1014 11.3383 11.3383 12.8630 12.8630 13.7057 13.7057 14.7420 14.7420 15.1505 15.1505 16.2354 16.2354 k = 0.3305 0.3305-0.0000 ( 3254 PWs) bands (ev): -30.2840 -30.2840 -30.2538 -30.2538 -11.4999 -11.4999 -11.3977 -11.3977 -10.2099 -10.2099 -10.0710 -10.0710 -9.9339 -9.9339 -9.9205 -9.9205 -3.8442 -3.8442 -3.7153 -3.7153 -0.9482 -0.9482 -0.6111 -0.6111 2.8346 2.8346 3.7503 3.7503 5.4481 5.4481 5.4935 5.4935 6.2534 6.2534 6.5430 6.5430 6.5833 6.5833 7.0436 7.0436 8.9047 8.9047 9.9466 9.9466 10.9484 10.9484 10.9744 10.9744 11.2177 11.2177 12.9960 12.9960 13.6111 13.6111 14.8137 14.8137 15.1139 15.1139 16.1830 16.1830 k = 0.3220 0.3220-0.0000 ( 3262 PWs) bands (ev): -30.2847 -30.2847 -30.2544 -30.2544 -11.5000 -11.5000 -11.3944 -11.3944 -10.2108 -10.2108 -10.0645 -10.0645 -9.9329 -9.9329 -9.9157 -9.9157 -3.8792 -3.8792 -3.7355 -3.7355 -0.8943 -0.8943 -0.5620 -0.5620 2.8386 2.8386 3.7788 3.7788 5.5226 5.5226 5.5387 5.5387 6.1818 6.1818 6.4848 6.4848 6.5180 6.5180 7.0166 7.0166 8.9941 8.9941 9.9336 9.9336 10.8466 10.8466 10.9827 10.9827 11.0981 11.0981 13.1292 13.1292 13.5145 13.5145 14.8873 14.8873 15.0780 15.0780 16.1329 16.1329 k = 0.3136 0.3136-0.0000 ( 3266 PWs) bands (ev): -30.2853 -30.2853 -30.2550 -30.2550 -11.5002 -11.5002 -11.3910 -11.3910 -10.2116 -10.2116 -10.0577 -10.0577 -9.9320 -9.9320 -9.9106 -9.9106 -3.9149 -3.9149 -3.7554 -3.7554 -0.8387 -0.8387 -0.5118 -0.5118 2.8464 2.8464 3.8072 3.8072 5.5515 5.5515 5.6165 5.6165 6.1096 6.1096 6.4353 6.4353 6.4547 6.4547 6.9901 6.9901 9.0854 9.0854 9.9225 9.9225 10.7188 10.7188 10.9801 10.9801 11.0215 11.0215 13.2620 13.2620 13.4169 13.4169 14.9603 14.9603 15.0448 15.0448 16.0852 16.0852 k = 0.3051 0.3051-0.0000 ( 3260 PWs) bands (ev): -30.2860 -30.2860 -30.2557 -30.2557 -11.5004 -11.5004 -11.3875 -11.3875 -10.2124 -10.2124 -10.0508 -10.0508 -9.9310 -9.9310 -9.9054 -9.9054 -3.9511 -3.9511 -3.7748 -3.7748 -0.7815 -0.7815 -0.4604 -0.4604 2.8581 2.8581 3.8356 3.8356 5.5753 5.5753 5.6780 5.6780 6.0368 6.0368 6.3943 6.3943 6.4019 6.4019 6.9642 6.9642 9.1784 9.1784 9.9133 9.9133 10.5913 10.5913 10.8643 10.8643 11.0649 11.0649 13.3189 13.3189 13.3938 13.3938 14.9969 14.9969 15.0495 15.0495 16.0402 16.0402 k = 0.2966 0.2966-0.0000 ( 3258 PWs) bands (ev): -30.2867 -30.2867 -30.2563 -30.2563 -11.5006 -11.5006 -11.3839 -11.3839 -10.2131 -10.2131 -10.0437 -10.0437 -9.9300 -9.9300 -9.9001 -9.9001 -3.9879 -3.9879 -3.7937 -3.7937 -0.7228 -0.7228 -0.4080 -0.4080 2.8734 2.8734 3.8639 3.8639 5.5923 5.5923 5.7145 5.7145 5.9635 5.9635 6.3418 6.3418 6.3900 6.3900 6.9389 6.9389 9.2730 9.2730 9.9059 9.9059 10.4643 10.4643 10.7511 10.7511 11.1131 11.1131 13.2214 13.2214 13.5236 13.5236 14.9691 14.9691 15.1193 15.1193 15.9984 15.9984 k = 0.2881 0.2881-0.0000 ( 3250 PWs) bands (ev): -30.2874 -30.2874 -30.2569 -30.2569 -11.5008 -11.5008 -11.3803 -11.3803 -10.2138 -10.2138 -10.0364 -10.0364 -9.9290 -9.9290 -9.8946 -9.8946 -4.0251 -4.0251 -3.8120 -3.8120 -0.6626 -0.6626 -0.3545 -0.3545 2.8925 2.8925 3.8920 3.8920 5.5991 5.5991 5.7201 5.7201 5.8900 5.8900 6.2983 6.2983 6.4071 6.4071 6.9145 6.9145 9.3692 9.3692 9.9002 9.9002 10.3383 10.3383 10.6410 10.6410 11.1662 11.1662 13.1247 13.1247 13.6505 13.6505 14.9377 14.9377 15.1925 15.1925 15.9603 15.9603 k = 0.2797 0.2797-0.0000 ( 3254 PWs) bands (ev): -30.2881 -30.2881 -30.2576 -30.2576 -11.5011 -11.5011 -11.3767 -11.3767 -10.2145 -10.2145 -10.0290 -10.0290 -9.9279 -9.9279 -9.8890 -9.8890 -4.0625 -4.0625 -3.8298 -3.8298 -0.6010 -0.6010 -0.3001 -0.3001 2.9153 2.9153 3.9198 3.9198 5.5926 5.5926 5.6957 5.6957 5.8164 5.8164 6.2672 6.2672 6.4515 6.4515 6.8908 6.8908 9.4669 9.4669 9.8961 9.8961 10.2139 10.2139 10.5345 10.5345 11.2242 11.2242 13.0291 13.0291 13.7733 13.7733 14.9073 14.9073 15.2635 15.2635 15.9270 15.9270 k = 0.2712 0.2712-0.0000 ( 3253 PWs) bands (ev): -30.2888 -30.2888 -30.2583 -30.2583 -11.5014 -11.5014 -11.3729 -11.3729 -10.2151 -10.2151 -10.0214 -10.0214 -9.9268 -9.9268 -9.8834 -9.8834 -4.1002 -4.1002 -3.8469 -3.8469 -0.5380 -0.5380 -0.2447 -0.2447 2.9417 2.9417 3.9473 3.9473 5.5705 5.5705 5.6480 5.6480 5.7427 5.7427 6.2507 6.2507 6.5162 6.5162 6.8680 6.8680 9.5661 9.5661 9.8937 9.8937 10.0914 10.0914 10.4322 10.4322 11.2872 11.2872 12.9351 12.9351 13.8907 13.8907 14.8782 14.8782 15.3299 15.3299 15.9005 15.9005 k = 0.2627 0.2627-0.0000 ( 3247 PWs) bands (ev): -30.2895 -30.2895 -30.2590 -30.2590 -11.5018 -11.5018 -11.3692 -11.3692 -10.2157 -10.2157 -10.0137 -10.0137 -9.9257 -9.9257 -9.8776 -9.8776 -4.1380 -4.1380 -3.8634 -3.8634 -0.4737 -0.4737 -0.1884 -0.1884 2.9717 2.9717 3.9745 3.9745 5.5328 5.5328 5.5843 5.5843 5.6693 5.6693 6.2484 6.2484 6.5933 6.5933 6.8463 6.8463 9.6666 9.6666 9.8927 9.8927 9.9716 9.9716 10.3346 10.3346 11.3552 11.3552 12.8427 12.8427 14.0011 14.0011 14.8509 14.8509 15.3883 15.3883 15.8834 15.8834 k = 0.2542 0.2542-0.0000 ( 3241 PWs) bands (ev): -30.2902 -30.2902 -30.2596 -30.2596 -11.5022 -11.5022 -11.3654 -11.3654 -10.2162 -10.2162 -10.0059 -10.0059 -9.9244 -9.9244 -9.8718 -9.8718 -4.1758 -4.1758 -3.8792 -3.8792 -0.4081 -0.4081 -0.1312 -0.1312 3.0052 3.0052 4.0013 4.0013 5.4812 5.4812 5.5102 5.5102 5.5962 5.5962 6.2583 6.2583 6.6765 6.6765 6.8257 6.8257 9.7683 9.7683 9.8548 9.8548 9.8936 9.8936 10.2424 10.2424 11.4282 11.4282 12.7524 12.7524 14.1026 14.1026 14.8253 14.8253 15.4348 15.4348 15.8796 15.8796 k = 0.2458 0.2458-0.0000 ( 3243 PWs) bands (ev): -30.2909 -30.2909 -30.2603 -30.2603 -11.5027 -11.5027 -11.3617 -11.3617 -10.2166 -10.2166 -9.9981 -9.9981 -9.9232 -9.9232 -9.8659 -9.8659 -4.2135 -4.2135 -3.8944 -3.8944 -0.3413 -0.3413 -0.0732 -0.0732 3.0421 3.0421 4.0276 4.0276 5.4184 5.4184 5.4293 5.4293 5.5236 5.5236 6.2772 6.2772 6.7599 6.7599 6.8081 6.8081 9.7427 9.7427 9.8711 9.8711 9.8955 9.8955 10.1562 10.1562 11.5062 11.5062 12.6642 12.6642 14.1932 14.1932 14.8015 14.8015 15.4654 15.4654 15.8926 15.8926 k = 0.2373 0.2373-0.0000 ( 3253 PWs) bands (ev): -30.2917 -30.2917 -30.2610 -30.2610 -11.5032 -11.5032 -11.3579 -11.3579 -10.2170 -10.2170 -9.9901 -9.9901 -9.9219 -9.9219 -9.8601 -9.8601 -4.2510 -4.2510 -3.9088 -3.9088 -0.2734 -0.2734 -0.0144 -0.0144 3.0825 3.0825 4.0533 4.0533 5.3415 5.3415 5.3495 5.3495 5.4519 5.4519 6.3016 6.3016 6.7836 6.7836 6.8500 6.8500 9.6358 9.6358 9.8988 9.8988 9.9752 9.9752 10.0766 10.0766 11.5891 11.5891 12.5784 12.5784 14.2712 14.2712 14.7797 14.7797 15.4790 15.4790 15.9235 15.9235 k = 0.2288 0.2288-0.0000 ( 3255 PWs) bands (ev): -30.2924 -30.2924 -30.2617 -30.2617 -11.5037 -11.5037 -11.3541 -11.3541 -10.2174 -10.2174 -9.9821 -9.9821 -9.9205 -9.9205 -9.8542 -9.8542 -4.2883 -4.2883 -3.9226 -3.9226 -0.2044 -0.2044 0.0452 0.0452 3.1262 3.1262 4.0783 4.0783 5.2525 5.2525 5.2730 5.2730 5.3810 5.3810 6.3288 6.3288 6.7671 6.7671 6.9295 6.9295 9.5353 9.5353 9.9034 9.9034 10.0044 10.0044 10.0802 10.0802 11.6768 11.6768 12.4951 12.4951 14.3346 14.3346 14.7598 14.7598 15.4782 15.4782 15.9694 15.9694 k = 0.2203 0.2203-0.0000 ( 3255 PWs) bands (ev): -30.2931 -30.2931 -30.2624 -30.2624 -11.5042 -11.5042 -11.3504 -11.3504 -10.2177 -10.2177 -9.9742 -9.9742 -9.9191 -9.9191 -9.8483 -9.8483 -4.3252 -4.3252 -3.9356 -3.9356 -0.1343 -0.1343 0.1056 0.1056 3.1732 3.1732 4.1023 4.1023 5.1605 5.1605 5.1933 5.1933 5.3113 5.3113 6.3565 6.3565 6.7505 6.7505 7.0040 7.0040 9.4427 9.4427 9.9086 9.9086 9.9407 9.9407 10.1862 10.1862 11.7693 11.7693 12.4146 12.4146 14.3824 14.3824 14.7418 14.7418 15.4674 15.4674 16.0255 16.0255 k = 0.2119 0.2119-0.0000 ( 3265 PWs) bands (ev): -30.2938 -30.2938 -30.2630 -30.2630 -11.5048 -11.5048 -11.3467 -11.3467 -10.2179 -10.2179 -9.9662 -9.9662 -9.9177 -9.9177 -9.8424 -9.8424 -4.3617 -4.3617 -3.9480 -3.9480 -0.0633 -0.0633 0.1667 0.1667 3.2233 3.2233 4.1249 4.1249 5.0665 5.0665 5.1120 5.1120 5.2429 5.2429 6.3827 6.3827 6.7348 6.7348 7.0703 7.0703 9.3597 9.3597 9.8827 9.8827 9.9180 9.9180 10.2932 10.2932 11.8663 11.8663 12.3368 12.3368 14.4139 14.4139 14.7259 14.7259 15.4508 15.4508 16.0873 16.0873 k = 0.2034 0.2034-0.0000 ( 3265 PWs) bands (ev): -30.2945 -30.2945 -30.2637 -30.2637 -11.5055 -11.5055 -11.3430 -11.3430 -10.2181 -10.2181 -9.9583 -9.9583 -9.9162 -9.9162 -9.8366 -9.8366 -4.3976 -4.3976 -3.9596 -3.9596 0.0087 0.0087 0.2285 0.2285 3.2765 3.2765 4.1456 4.1456 4.9711 4.9711 5.0304 5.0304 5.1760 5.1760 6.4061 6.4061 6.7201 6.7201 7.1258 7.1258 9.2882 9.2882 9.8366 9.8366 9.9257 9.9257 10.4011 10.4011 11.9678 11.9678 12.2621 12.2621 14.4293 14.4293 14.7119 14.7119 15.4311 15.4311 16.1316 16.1316 k = 0.1949 0.1949-0.0000 ( 3257 PWs) bands (ev): -30.2952 -30.2952 -30.2643 -30.2643 -11.5061 -11.5061 -11.3394 -11.3394 -10.2182 -10.2182 -9.9504 -9.9504 -9.9146 -9.9146 -9.8309 -9.8309 -4.4329 -4.4329 -3.9706 -3.9706 0.0815 0.0815 0.2910 0.2910 3.3327 3.3327 4.1634 4.1634 4.8747 4.8747 4.9502 4.9502 5.1105 5.1105 6.4254 6.4254 6.7064 6.7064 7.1682 7.1682 9.2301 9.2301 9.7997 9.7997 9.9350 9.9350 10.5099 10.5099 12.0734 12.0734 12.1906 12.1906 14.4297 14.4297 14.6998 14.6998 15.4101 15.4101 16.0418 16.0418 k = 0.1864 0.1864-0.0000 ( 3261 PWs) bands (ev): -30.2958 -30.2958 -30.2650 -30.2650 -11.5068 -11.5068 -11.3358 -11.3358 -10.2183 -10.2183 -9.9427 -9.9427 -9.9130 -9.9130 -9.8253 -9.8253 -4.4674 -4.4674 -3.9809 -3.9809 0.1551 0.1551 0.3541 0.3541 3.3918 3.3918 4.1769 4.1769 4.7777 4.7777 4.8736 4.8736 5.0468 5.0468 6.4397 6.4397 6.6937 6.6937 7.1955 7.1955 9.1870 9.1870 9.7726 9.7726 9.9454 9.9454 10.6195 10.6195 12.1208 12.1208 12.1844 12.1844 14.4168 14.4168 14.6897 14.6897 15.3889 15.3889 15.9512 15.9512 k = 0.1780 0.1780-0.0000 ( 3261 PWs) bands (ev): -30.2965 -30.2965 -30.2656 -30.2656 -11.5075 -11.5075 -11.3324 -11.3324 -10.2183 -10.2183 -9.9353 -9.9353 -9.9112 -9.9112 -9.8197 -9.8197 -4.5012 -4.5012 -3.9905 -3.9905 0.2294 0.2294 0.4178 0.4178 3.4537 3.4537 4.1840 4.1840 4.6802 4.6802 4.8031 4.8031 4.9850 4.9850 6.4482 6.4482 6.6819 6.6819 7.2061 7.2061 9.1600 9.1600 9.7557 9.7557 9.9567 9.9567 10.7301 10.7301 12.0560 12.0560 12.2975 12.2975 14.3925 14.3925 14.6814 14.6814 15.3685 15.3685 15.8624 15.8624 k = 0.1695 0.1695-0.0000 ( 3259 PWs) bands (ev): -30.2972 -30.2972 -30.2662 -30.2662 -11.5083 -11.5083 -11.3290 -11.3290 -10.2183 -10.2183 -9.9281 -9.9281 -9.9092 -9.9092 -9.8142 -9.8142 -4.5340 -4.5340 -3.9995 -3.9995 0.3043 0.3043 0.4820 0.4820 3.5182 3.5182 4.1817 4.1817 4.5827 4.5827 4.7421 4.7421 4.9251 4.9251 6.4506 6.4506 6.6711 6.6711 7.1992 7.1992 9.1496 9.1496 9.7489 9.7489 9.9689 9.9689 10.8415 10.8415 11.9941 11.9941 12.4145 12.4145 14.3589 14.3589 14.6749 14.6749 15.3493 15.3493 15.7759 15.7759 k = 0.1610 0.1610-0.0000 ( 3267 PWs) bands (ev): -30.2978 -30.2978 -30.2668 -30.2668 -11.5090 -11.5090 -11.3257 -11.3257 -10.2182 -10.2182 -9.9216 -9.9216 -9.9067 -9.9067 -9.8089 -9.8089 -4.5659 -4.5659 -4.0079 -4.0079 0.3798 0.3798 0.5467 0.5467 3.5852 3.5852 4.1667 4.1667 4.4853 4.4853 4.6943 4.6943 4.8674 4.8674 6.4465 6.4465 6.6612 6.6612 7.1753 7.1753 9.1549 9.1549 9.7521 9.7521 9.9818 9.9818 10.9538 10.9538 11.9356 11.9356 12.5347 12.5347 14.3180 14.3180 14.6702 14.6702 15.3317 15.3317 15.6918 15.6918 k = 0.1525 0.1525-0.0000 ( 3267 PWs) bands (ev): -30.2984 -30.2984 -30.2674 -30.2674 -11.5097 -11.5097 -11.3225 -11.3225 -10.2181 -10.2181 -9.9162 -9.9162 -9.9033 -9.9033 -9.8038 -9.8038 -4.5968 -4.5968 -4.0157 -4.0157 0.4557 0.4557 0.6117 0.6117 3.6545 3.6545 4.1364 4.1364 4.3885 4.3885 4.6626 4.6626 4.8120 4.8120 6.4360 6.4360 6.6522 6.6522 7.1355 7.1355 9.1746 9.1746 9.7649 9.7649 9.9953 9.9953 11.0671 11.0671 11.8805 11.8805 12.6577 12.6577 14.2717 14.2717 14.6673 14.6673 15.3161 15.3161 15.6104 15.6104 k = 0.1441 0.1441-0.0000 ( 3265 PWs) bands (ev): -30.2990 -30.2990 -30.2679 -30.2679 -11.5105 -11.5105 -11.3194 -11.3194 -10.2180 -10.2180 -9.9121 -9.9121 -9.8988 -9.8988 -9.7988 -9.7988 -4.6264 -4.6264 -4.0228 -4.0228 0.5318 0.5318 0.6770 0.6770 3.7257 3.7257 4.0908 4.0908 4.2927 4.2927 4.6473 4.6473 4.7589 4.7589 6.4194 6.4194 6.6439 6.6439 7.0816 7.0816 9.2063 9.2063 9.7865 9.7865 10.0093 10.0093 11.1812 11.1812 11.8290 11.8290 12.7831 12.7831 14.2215 14.2215 14.6661 14.6661 15.3027 15.3027 15.5320 15.5320 k = 0.1356 0.1356-0.0000 ( 3271 PWs) bands (ev): -30.2996 -30.2996 -30.2684 -30.2684 -11.5113 -11.5113 -11.3165 -11.3165 -10.2178 -10.2178 -9.9093 -9.9093 -9.8933 -9.8933 -9.7940 -9.7940 -4.6549 -4.6549 -4.0294 -4.0294 0.6082 0.6082 0.7424 0.7424 3.7979 3.7979 4.0324 4.0324 4.1989 4.1989 4.6458 4.6458 4.7087 4.7087 6.3969 6.3969 6.6365 6.6365 7.0159 7.0159 9.2475 9.2475 9.8163 9.8163 10.0238 10.0238 11.2963 11.2963 11.7812 11.7812 12.9104 12.9104 14.1688 14.1688 14.6666 14.6666 15.2917 15.2917 15.4568 15.4568 k = 0.1271 0.1271-0.0000 ( 3271 PWs) bands (ev): -30.3001 -30.3001 -30.2689 -30.2689 -11.5120 -11.5120 -11.3137 -11.3137 -10.2176 -10.2176 -9.9072 -9.9072 -9.8874 -9.8874 -9.7894 -9.7894 -4.6821 -4.6821 -4.0355 -4.0355 0.6844 0.6844 0.8078 0.8078 3.8683 3.8683 3.9649 3.9649 4.1100 4.1100 4.6495 4.6495 4.6667 4.6667 6.3693 6.3693 6.6298 6.6298 6.9405 6.9405 9.2958 9.2958 9.8533 9.8533 10.0385 10.0385 11.4122 11.4122 11.7370 11.7370 13.0390 13.0390 14.1148 14.1148 14.6687 14.6687 15.2831 15.2831 15.3849 15.3849 k = 0.1186 0.1186-0.0000 ( 3273 PWs) bands (ev): -30.3006 -30.3006 -30.2694 -30.2694 -11.5127 -11.5127 -11.3110 -11.3110 -10.2174 -10.2174 -9.9054 -9.9054 -9.8815 -9.8815 -9.7850 -9.7850 -4.7078 -4.7078 -4.0410 -4.0410 0.7605 0.7605 0.8730 0.8730 3.8915 3.8915 3.9187 3.9187 4.0446 4.0446 4.6127 4.6127 4.6756 4.6756 6.3369 6.3369 6.6236 6.6236 6.8573 6.8573 9.3487 9.3487 9.8963 9.8963 10.0534 10.0534 11.5289 11.5289 11.6967 11.6967 13.1682 13.1682 14.0606 14.0606 14.6724 14.6724 15.2766 15.2766 15.3167 15.3167 k = 0.1102 0.1102-0.0000 ( 3277 PWs) bands (ev): -30.3011 -30.3011 -30.2699 -30.2699 -11.5134 -11.5134 -11.3085 -11.3085 -10.2172 -10.2172 -9.9039 -9.9039 -9.8756 -9.8756 -9.7808 -9.7808 -4.7322 -4.7322 -4.0461 -4.0461 0.8360 0.8360 0.9378 0.9378 3.8151 3.8151 3.8839 3.8839 4.0677 4.0677 4.5705 4.5705 4.6980 4.6980 6.3007 6.3007 6.6179 6.6179 6.7685 6.7685 9.4042 9.4042 9.9442 9.9442 10.0682 10.0682 11.6412 11.6412 11.6653 11.6653 13.2971 13.2971 14.0070 14.0070 14.6777 14.6777 15.2386 15.2386 15.2522 15.2522 k = 0.1017 0.1017-0.0000 ( 3281 PWs) bands (ev): -30.3015 -30.3015 -30.2703 -30.2703 -11.5141 -11.5141 -11.3061 -11.3061 -10.2170 -10.2170 -9.9025 -9.9025 -9.8700 -9.8700 -9.7769 -9.7769 -4.7550 -4.7550 -4.0507 -4.0507 0.9108 0.9108 1.0019 1.0019 3.7373 3.7373 3.8041 3.8041 4.1394 4.1394 4.5307 4.5307 4.7246 4.7246 6.2614 6.2614 6.6116 6.6116 6.6763 6.6763 9.4605 9.4605 9.9958 9.9958 10.0829 10.0829 11.6249 11.6249 11.7670 11.7670 13.4246 13.4246 13.9548 13.9548 14.6844 14.6844 15.1221 15.1221 15.1920 15.1920 k = 0.0932 0.0932-0.0000 ( 3277 PWs) bands (ev): -30.3020 -30.3020 -30.2707 -30.2707 -11.5148 -11.5148 -11.3039 -11.3039 -10.2167 -10.2167 -9.9013 -9.9013 -9.8647 -9.8647 -9.7732 -9.7732 -4.7762 -4.7762 -4.0548 -4.0548 0.9845 0.9845 1.0651 1.0651 3.6597 3.6597 3.7192 3.7192 4.2202 4.2202 4.4938 4.4938 4.7538 4.7538 6.2197 6.2197 6.5719 6.5719 6.6148 6.6148 9.5161 9.5161 10.0498 10.0498 10.0972 10.0972 11.5956 11.5956 11.8861 11.8861 13.5489 13.5489 13.9046 13.9046 14.6926 14.6926 15.0049 15.0049 15.1359 15.1359 k = 0.0847 0.0847-0.0000 ( 3281 PWs) bands (ev): -30.3023 -30.3023 -30.2711 -30.2711 -11.5154 -11.5154 -11.3018 -11.3018 -10.2165 -10.2165 -9.9002 -9.9002 -9.8598 -9.8598 -9.7699 -9.7699 -4.7959 -4.7959 -4.0585 -4.0585 1.0565 1.0565 1.1268 1.1268 3.5833 3.5833 3.6350 3.6350 4.3043 4.3043 4.4598 4.4598 4.7848 4.7848 6.1765 6.1765 6.4759 6.4759 6.6081 6.6081 9.5697 9.5697 10.1049 10.1049 10.1111 10.1111 11.5695 11.5695 12.0061 12.0061 13.6675 13.6675 13.8571 13.8571 14.7020 14.7020 14.8912 14.8912 15.0841 15.0841 k = 0.0763 0.0763-0.0000 ( 3281 PWs) bands (ev): -30.3027 -30.3027 -30.2714 -30.2714 -11.5160 -11.5160 -11.3000 -11.3000 -10.2163 -10.2163 -9.8991 -9.8991 -9.8552 -9.8552 -9.7668 -9.7668 -4.8138 -4.8138 -4.0617 -4.0617 1.1265 1.1265 1.1867 1.1867 3.5092 3.5092 3.5534 3.5534 4.3902 4.3902 4.4288 4.4288 4.8168 4.8168 6.1326 6.1326 6.3761 6.3761 6.6044 6.6044 9.6204 9.6204 10.1243 10.1243 10.1598 10.1598 11.5468 11.5468 12.1267 12.1267 13.7746 13.7746 13.8143 13.8143 14.7121 14.7121 14.7858 14.7858 15.0368 15.0368 k = 0.0678 0.0678-0.0000 ( 3279 PWs) bands (ev): -30.3030 -30.3030 -30.2717 -30.2717 -11.5165 -11.5165 -11.2983 -11.2983 -10.2160 -10.2160 -9.8982 -9.8982 -9.8510 -9.8510 -9.7640 -9.7640 -4.8300 -4.8300 -4.0646 -4.0646 1.1937 1.1937 1.2441 1.2441 3.4384 3.4384 3.4755 3.4755 4.4009 4.4009 4.4772 4.4772 4.8491 4.8491 6.0889 6.0889 6.2756 6.2756 6.6015 6.6015 9.6672 9.6672 10.1366 10.1366 10.2133 10.2133 11.5273 11.5273 12.2475 12.2475 13.7701 13.7701 13.8695 13.8695 14.6895 14.6895 14.7289 14.7289 14.9941 14.9941 k = 0.0593 0.0593-0.0000 ( 3287 PWs) bands (ev): -30.3033 -30.3033 -30.2719 -30.2719 -11.5170 -11.5170 -11.2968 -11.2968 -10.2158 -10.2158 -9.8974 -9.8974 -9.8473 -9.8473 -9.7615 -9.7615 -4.8444 -4.8444 -4.0671 -4.0671 1.2573 1.2573 1.2983 1.2983 3.3718 3.3718 3.4023 3.4023 4.3762 4.3762 4.5645 4.5645 4.8810 4.8810 6.0463 6.0463 6.1757 6.1757 6.5992 6.5992 9.7096 9.7096 10.1480 10.1480 10.2641 10.2641 11.5108 11.5108 12.3681 12.3681 13.7334 13.7334 13.9314 13.9314 14.6262 14.6262 14.7403 14.7403 14.9562 14.9562 k = 0.0508 0.0508-0.0000 ( 3293 PWs) bands (ev): -30.3036 -30.3036 -30.2722 -30.2722 -11.5174 -11.5174 -11.2955 -11.2955 -10.2156 -10.2156 -9.8967 -9.8967 -9.8440 -9.8440 -9.7593 -9.7593 -4.8569 -4.8569 -4.0692 -4.0692 1.3164 1.3164 1.3485 1.3485 3.3105 3.3105 3.3348 3.3348 4.3547 4.3547 4.6513 4.6513 4.9117 4.9117 6.0057 6.0057 6.0774 6.0774 6.5972 6.5972 9.7471 9.7471 10.1583 10.1583 10.3110 10.3110 11.4972 11.4972 12.4879 12.4879 13.7005 13.7005 13.9498 13.9498 14.6014 14.6014 14.7543 14.7543 14.9232 14.9232 k = 0.0424 0.0424-0.0000 ( 3295 PWs) bands (ev): -30.3038 -30.3038 -30.2724 -30.2724 -11.5178 -11.5178 -11.2944 -11.2944 -10.2155 -10.2155 -9.8961 -9.8961 -9.8412 -9.8412 -9.7574 -9.7574 -4.8676 -4.8676 -4.0710 -4.0710 1.3699 1.3699 1.3937 1.3937 3.2554 3.2554 3.2743 3.2743 4.3364 4.3364 4.7364 4.7364 4.9405 4.9405 5.9683 5.9683 5.9824 5.9824 6.5957 6.5957 9.7792 9.7792 10.1672 10.1672 10.3529 10.3529 11.4862 11.4862 12.6059 12.6059 13.6722 13.6722 13.9200 13.9200 14.6199 14.6199 14.7692 14.7692 14.8953 14.8953 k = 0.0339 0.0339-0.0000 ( 3299 PWs) bands (ev): -30.3040 -30.3040 -30.2725 -30.2725 -11.5181 -11.5181 -11.2935 -11.2935 -10.2153 -10.2153 -9.8956 -9.8956 -9.8389 -9.8389 -9.7559 -9.7559 -4.8764 -4.8764 -4.0724 -4.0724 1.4165 1.4165 1.4330 1.4330 3.2077 3.2077 3.2222 3.2222 4.3213 4.3213 4.8177 4.8177 4.9664 4.9664 5.8922 5.8922 5.9354 5.9354 6.5944 6.5944 9.8058 9.8058 10.1747 10.1747 10.3887 10.3887 11.4777 11.4777 12.7205 12.7205 13.6486 13.6486 13.8554 13.8554 14.6676 14.6676 14.7840 14.7840 14.8725 14.8725 k = 0.0254 0.0254-0.0000 ( 3299 PWs) bands (ev): -30.3041 -30.3041 -30.2727 -30.2727 -11.5183 -11.5183 -11.2928 -11.2928 -10.2152 -10.2152 -9.8952 -9.8952 -9.8371 -9.8371 -9.7547 -9.7547 -4.8833 -4.8833 -4.0735 -4.0735 1.4547 1.4547 1.4651 1.4651 3.1685 3.1685 3.1801 3.1801 4.3096 4.3096 4.8921 4.8921 4.9885 4.9885 5.8106 5.8106 5.9079 5.9079 6.5935 6.5935 9.8266 9.8266 10.1807 10.1807 10.4176 10.4176 11.4713 11.4713 12.8283 12.8283 13.6301 13.6301 13.7746 13.7746 14.7251 14.7251 14.7979 14.7979 14.8552 14.8552 k = 0.0169 0.0169-0.0000 ( 3301 PWs) bands (ev): -30.3042 -30.3042 -30.2728 -30.2728 -11.5185 -11.5185 -11.2923 -11.2923 -10.2151 -10.2151 -9.8949 -9.8949 -9.8358 -9.8358 -9.7538 -9.7538 -4.8882 -4.8882 -4.0743 -4.0743 1.4833 1.4833 1.4890 1.4890 3.1389 3.1389 3.1492 3.1492 4.3013 4.3013 4.9539 4.9539 5.0067 5.0067 5.7423 5.7423 5.8871 5.8871 6.5928 6.5928 9.8415 9.8415 10.1851 10.1851 10.4388 10.4388 11.4669 11.4669 12.9233 12.9233 13.6166 13.6166 13.6940 13.6940 14.7763 14.7763 14.8095 14.8095 14.8442 14.8442 k = 0.0085 0.0085-0.0000 ( 3301 PWs) bands (ev): -30.3043 -30.3043 -30.2728 -30.2728 -11.5186 -11.5186 -11.2919 -11.2919 -10.2151 -10.2151 -9.8947 -9.8947 -9.8350 -9.8350 -9.7533 -9.7533 -4.8912 -4.8912 -4.0748 -4.0748 1.5010 1.5010 1.5037 1.5037 3.1204 3.1204 3.1305 3.1305 4.2962 4.2962 4.9929 4.9929 5.0220 5.0220 5.6953 5.6953 5.8742 5.8742 6.5924 6.5924 9.8504 9.8504 10.1877 10.1877 10.4518 10.4518 11.4643 11.4643 12.9934 12.9934 13.6083 13.6083 13.6312 13.6312 14.8071 14.8071 14.8176 14.8176 14.8426 14.8426 k = 0.0000 0.0000 0.0000 ( 3309 PWs) bands (ev): -30.3043 -30.3043 -30.2729 -30.2729 -11.5186 -11.5186 -11.2918 -11.2918 -10.2151 -10.2151 -9.8947 -9.8947 -9.8348 -9.8348 -9.7531 -9.7531 -4.8922 -4.8922 -4.0750 -4.0750 1.5070 1.5070 1.5087 1.5087 3.1141 3.1141 3.1242 3.1242 4.2946 4.2946 5.0040 5.0040 5.0307 5.0307 5.6781 5.6781 5.8698 5.8698 6.5923 6.5923 9.8534 9.8534 10.1886 10.1886 10.4562 10.4562 11.4634 11.4634 13.0204 13.0204 13.6030 13.6030 13.6089 13.6089 14.8139 14.8139 14.8206 14.8206 14.8462 14.8462 k = 0.0000 0.0000 0.0000 ( 3309 PWs) bands (ev): -30.3043 -30.3043 -30.2729 -30.2729 -11.5186 -11.5186 -11.2918 -11.2918 -10.2151 -10.2151 -9.8947 -9.8947 -9.8348 -9.8348 -9.7531 -9.7531 -4.8922 -4.8922 -4.0750 -4.0750 1.5070 1.5070 1.5087 1.5087 3.1141 3.1141 3.1242 3.1242 4.2946 4.2946 5.0040 5.0040 5.0307 5.0307 5.6781 5.6781 5.8698 5.8698 6.5923 6.5923 9.8534 9.8534 10.1886 10.1886 10.4562 10.4562 11.4634 11.4634 13.0204 13.0204 13.6030 13.6030 13.6089 13.6089 14.8139 14.8139 14.8206 14.8206 14.8462 14.8462 k = 0.0000 0.0000 0.0116 ( 3301 PWs) bands (ev): -30.3043 -30.3043 -30.2729 -30.2729 -11.5183 -11.5183 -11.2920 -11.2920 -10.2148 -10.2148 -9.8952 -9.8952 -9.8347 -9.8347 -9.7532 -9.7532 -4.8911 -4.8911 -4.0759 -4.0759 1.5070 1.5070 1.5086 1.5086 3.1143 3.1143 3.1243 3.1243 4.2965 4.2965 5.0038 5.0038 5.0305 5.0305 5.6767 5.6767 5.8701 5.8701 6.5914 6.5914 9.8540 9.8540 10.1874 10.1874 10.4553 10.4553 11.4698 11.4698 13.0093 13.0093 13.6030 13.6030 13.6090 13.6090 14.8026 14.8026 14.8288 14.8288 14.8342 14.8342 k = 0.0000 0.0000 0.0231 ( 3304 PWs) bands (ev): -30.3041 -30.3041 -30.2730 -30.2730 -11.5173 -11.5173 -11.2926 -11.2926 -10.2141 -10.2141 -9.8968 -9.8968 -9.8344 -9.8344 -9.7535 -9.7535 -4.8881 -4.8881 -4.0787 -4.0787 1.5068 1.5068 1.5082 1.5082 3.1147 3.1147 3.1247 3.1247 4.3025 4.3025 5.0034 5.0034 5.0299 5.0299 5.6725 5.6725 5.8711 5.8711 6.5887 6.5887 9.8558 9.8558 10.1840 10.1840 10.4528 10.4528 11.4886 11.4886 12.9766 12.9766 13.6032 13.6032 13.6093 13.6093 14.7711 14.7711 14.8016 14.8016 14.8532 14.8532 k = 0.0000 0.0000 0.0347 ( 3304 PWs) bands (ev): -30.3040 -30.3040 -30.2732 -30.2732 -11.5157 -11.5157 -11.2936 -11.2936 -10.2130 -10.2130 -9.8995 -9.8995 -9.8339 -9.8339 -9.7540 -9.7540 -4.8831 -4.8831 -4.0833 -4.0833 1.5065 1.5065 1.5077 1.5077 3.1155 3.1155 3.1253 3.1253 4.3123 4.3123 5.0028 5.0028 5.0289 5.0289 5.6655 5.6655 5.8728 5.8728 6.5840 6.5840 9.8587 9.8587 10.1791 10.1791 10.4485 10.4485 11.5193 11.5193 12.9247 12.9247 13.6036 13.6036 13.6098 13.6098 14.7261 14.7261 14.7555 14.7555 14.8904 14.8904 k = 0.0000 0.0000 0.0462 ( 3304 PWs) bands (ev): -30.3037 -30.3037 -30.2734 -30.2734 -11.5134 -11.5134 -11.2949 -11.2949 -10.2113 -10.2113 -9.9031 -9.9031 -9.8333 -9.8333 -9.7547 -9.7547 -4.8762 -4.8762 -4.0897 -4.0897 1.5060 1.5060 1.5069 1.5069 3.1165 3.1165 3.1262 3.1262 4.3261 4.3261 5.0018 5.0018 5.0276 5.0276 5.6557 5.6557 5.8751 5.8751 6.5774 6.5774 9.8629 9.8629 10.1736 10.1736 10.4427 10.4427 11.5611 11.5611 12.8565 12.8565 13.6042 13.6042 13.6106 13.6106 14.6735 14.6735 14.7018 14.7018 14.9353 14.9353 k = 0.0000 0.0000 0.0578 ( 3300 PWs) bands (ev): -30.3034 -30.3034 -30.2738 -30.2738 -11.5105 -11.5105 -11.2967 -11.2967 -10.2092 -10.2092 -9.9078 -9.9078 -9.8324 -9.8324 -9.7555 -9.7555 -4.8674 -4.8674 -4.0979 -4.0979 1.5055 1.5055 1.5059 1.5059 3.1178 3.1178 3.1273 3.1273 4.3436 4.3436 5.0007 5.0007 5.0259 5.0259 5.6434 5.6434 5.8782 5.8782 6.5687 6.5687 9.8682 9.8682 10.1684 10.1684 10.4352 10.4352 11.6129 11.6129 12.7751 12.7751 13.6050 13.6050 13.6117 13.6117 14.6170 14.6170 14.6445 14.6445 14.9818 14.9818 k = 0.0000 0.0000 0.0693 ( 3292 PWs) bands (ev): -30.3030 -30.3030 -30.2741 -30.2741 -11.5070 -11.5070 -11.2988 -11.2988 -10.2066 -10.2066 -9.9135 -9.9135 -9.8314 -9.8314 -9.7566 -9.7566 -4.8566 -4.8566 -4.1079 -4.1079 1.5047 1.5047 1.5048 1.5048 3.1193 3.1193 3.1285 3.1285 4.3647 4.3647 4.9993 4.9993 5.0239 5.0239 5.6285 5.6285 5.8821 5.8821 6.5578 6.5578 9.8746 9.8746 10.1648 10.1648 10.4262 10.4262 11.6737 11.6737 12.6836 12.6836 13.6061 13.6061 13.6131 13.6131 14.5591 14.5591 14.5859 14.5859 15.0228 15.0228 k = 0.0000 0.0000 0.0809 ( 3288 PWs) bands (ev): -30.3025 -30.3025 -30.2746 -30.2746 -11.5029 -11.5029 -11.3013 -11.3013 -10.2035 -10.2035 -9.9200 -9.9200 -9.8302 -9.8302 -9.7578 -9.7578 -4.8441 -4.8441 -4.1196 -4.1196 1.5035 1.5035 1.5040 1.5040 3.1210 3.1210 3.1300 3.1300 4.3893 4.3893 4.9978 4.9978 5.0216 5.0216 5.6113 5.6113 5.8867 5.8867 6.5446 6.5446 9.8821 9.8821 10.1638 10.1638 10.4157 10.4157 11.7425 11.7425 12.5844 12.5844 13.6075 13.6075 13.6148 13.6148 14.5013 14.5013 14.5275 14.5275 15.0507 15.0507 k = 0.0000 0.0000 0.0924 ( 3296 PWs) bands (ev): -30.3020 -30.3020 -30.2751 -30.2751 -11.4983 -11.4983 -11.3042 -11.3042 -10.1999 -10.1999 -9.9274 -9.9274 -9.8289 -9.8289 -9.7592 -9.7592 -4.8299 -4.8299 -4.1329 -4.1329 1.5021 1.5021 1.5032 1.5032 3.1229 3.1229 3.1315 3.1315 4.4173 4.4173 4.9961 4.9961 5.0190 5.0190 5.5918 5.5918 5.8922 5.8922 6.5290 6.5290 9.8908 9.8908 10.1664 10.1664 10.4039 10.4039 11.8184 11.8184 12.4794 12.4794 13.6093 13.6093 13.6169 13.6169 14.4443 14.4443 14.4700 14.4700 15.0582 15.0582 k = 0.0000 0.0000 0.1040 ( 3292 PWs) bands (ev): -30.3014 -30.3014 -30.2757 -30.2757 -11.4932 -11.4932 -11.3075 -11.3075 -10.1958 -10.1958 -9.9355 -9.9355 -9.8274 -9.8274 -9.7607 -9.7607 -4.8140 -4.8140 -4.1478 -4.1478 1.5006 1.5006 1.5022 1.5022 3.1250 3.1250 3.1332 3.1332 4.4484 4.4484 4.9944 4.9944 5.0162 5.0162 5.5701 5.5701 5.8985 5.8985 6.5109 6.5109 9.9005 9.9005 10.1733 10.1733 10.3907 10.3907 11.9006 11.9006 12.3705 12.3705 13.6116 13.6116 13.6196 13.6196 14.3890 14.3890 14.4141 14.4141 15.0407 15.0407 k = 0.0000 0.0000 0.1156 ( 3292 PWs) bands (ev): -30.3008 -30.3008 -30.2764 -30.2764 -11.4875 -11.4875 -11.3112 -11.3112 -10.1913 -10.1913 -9.9444 -9.9444 -9.8257 -9.8257 -9.7624 -9.7624 -4.7965 -4.7965 -4.1643 -4.1643 1.4992 1.4992 1.5012 1.5012 3.1272 3.1272 3.1350 3.1350 4.4824 4.4824 4.9925 4.9925 5.0133 5.0133 5.5464 5.5464 5.9059 5.9059 6.4905 6.4905 9.9113 9.9113 10.1852 10.1852 10.3763 10.3763 11.9884 11.9884 12.2589 12.2589 13.6143 13.6143 13.6227 13.6227 14.3355 14.3355 14.3601 14.3601 14.9969 14.9969 k = 0.0000 0.0000 0.1271 ( 3280 PWs) bands (ev): -30.3001 -30.3001 -30.2771 -30.2771 -11.4815 -11.4815 -11.3153 -11.3153 -10.1862 -10.1862 -9.9538 -9.9538 -9.8239 -9.8239 -9.7643 -9.7643 -4.7775 -4.7775 -4.1821 -4.1821 1.4977 1.4977 1.5001 1.5001 3.1295 3.1295 3.1368 3.1368 4.5192 4.5192 4.9906 4.9906 5.0102 5.0102 5.5207 5.5207 5.9142 5.9142 6.4679 6.4679 9.9231 9.9231 10.2027 10.2027 10.3609 10.3609 12.0811 12.0811 12.1457 12.1457 13.6177 13.6177 13.6264 13.6264 14.2843 14.2843 14.3084 14.3084 14.9295 14.9295 k = 0.0000 0.0000 0.1387 ( 3280 PWs) bands (ev): -30.2993 -30.2993 -30.2778 -30.2778 -11.4750 -11.4750 -11.3197 -11.3197 -10.1806 -10.1806 -9.9638 -9.9638 -9.8220 -9.8220 -9.7662 -9.7662 -4.7572 -4.7572 -4.2014 -4.2014 1.4963 1.4963 1.4990 1.4990 3.1318 3.1318 3.1386 3.1386 4.5585 4.5585 4.9888 4.9888 5.0071 5.0071 5.4931 5.4931 5.9236 5.9236 6.4431 6.4431 9.9359 9.9359 10.2261 10.2261 10.3444 10.3444 12.0316 12.0316 12.1784 12.1784 13.6217 13.6217 13.6307 13.6307 14.2356 14.2356 14.2591 14.2591 14.8426 14.8426 k = 0.0000 0.0000 0.1502 ( 3280 PWs) bands (ev): -30.2985 -30.2985 -30.2787 -30.2787 -11.4682 -11.4682 -11.3245 -11.3245 -10.1745 -10.1745 -9.9743 -9.9743 -9.8199 -9.8199 -9.7684 -9.7684 -4.7356 -4.7356 -4.2219 -4.2219 1.4949 1.4949 1.4979 1.4979 3.1341 3.1341 3.1404 3.1404 4.6000 4.6000 4.9870 4.9870 5.0039 5.0039 5.4636 5.4636 5.9342 5.9342 6.4164 6.4164 9.9496 9.9496 10.2556 10.2556 10.3271 10.3271 11.9176 11.9176 12.2798 12.2798 13.6263 13.6263 13.6356 13.6356 14.1895 14.1895 14.2124 14.2124 14.7411 14.7411 k = 0.0000 0.0000 0.1618 ( 3296 PWs) bands (ev): -30.2976 -30.2976 -30.2795 -30.2795 -11.4610 -11.4610 -11.3297 -11.3297 -10.1680 -10.1680 -9.9852 -9.9852 -9.8177 -9.8177 -9.7706 -9.7706 -4.7129 -4.7129 -4.2437 -4.2437 1.4936 1.4936 1.4968 1.4968 3.1364 3.1364 3.1421 3.1421 4.6434 4.6434 4.9853 4.9853 5.0008 5.0008 5.4322 5.4322 5.9460 5.9460 6.3881 6.3881 9.9643 9.9643 10.2908 10.2908 10.3094 10.3094 11.8040 11.8040 12.3849 12.3849 13.6316 13.6316 13.6412 13.6412 14.1463 14.1463 14.1685 14.1685 14.6287 14.6287 k = 0.0000 0.0000 0.1733 ( 3300 PWs) bands (ev): -30.2967 -30.2967 -30.2804 -30.2804 -11.4536 -11.4536 -11.3352 -11.3352 -10.1609 -10.1609 -9.9964 -9.9964 -9.8154 -9.8154 -9.7730 -9.7730 -4.6891 -4.6891 -4.2665 -4.2665 1.4925 1.4925 1.4956 1.4956 3.1386 3.1386 3.1437 3.1437 4.6885 4.6885 4.9837 4.9837 4.9977 4.9977 5.3990 5.3990 5.9592 5.9592 6.3585 6.3585 9.9797 9.9797 10.2895 10.2895 10.3339 10.3339 11.6915 11.6915 12.4935 12.4935 13.6377 13.6377 13.6473 13.6473 14.1060 14.1060 14.1275 14.1275 14.5088 14.5088 k = 0.0000 0.0000 0.1849 ( 3300 PWs) bands (ev): -30.2958 -30.2958 -30.2814 -30.2814 -11.4460 -11.4460 -11.3411 -11.3411 -10.1533 -10.1533 -10.0078 -10.0078 -9.8130 -9.8130 -9.7754 -9.7754 -4.6644 -4.6644 -4.2903 -4.2903 1.4915 1.4915 1.4945 1.4945 3.1406 3.1406 3.1452 3.1452 4.7349 4.7349 4.9823 4.9823 4.9948 4.9948 5.3640 5.3640 5.9737 5.9737 6.3280 6.3280 9.9960 9.9960 10.2703 10.2703 10.3820 10.3820 11.5806 11.5806 12.6053 12.6053 13.6444 13.6444 13.6539 13.6539 14.0688 14.0688 14.0896 14.0896 14.3838 14.3838 k = 0.0000 0.0000 0.1965 ( 3300 PWs) bands (ev): -30.2948 -30.2948 -30.2823 -30.2823 -11.4382 -11.4382 -11.3473 -11.3473 -10.1452 -10.1452 -10.0193 -10.0193 -9.8105 -9.8105 -9.7779 -9.7779 -4.6388 -4.6388 -4.3150 -4.3150 1.4906 1.4906 1.4935 1.4935 3.1426 3.1426 3.1465 3.1465 4.7824 4.7824 4.9812 4.9812 4.9920 4.9920 5.3272 5.3272 5.9897 5.9897 6.2970 6.2970 10.0131 10.0131 10.2504 10.2504 10.4363 10.4363 11.4715 11.4715 12.7201 12.7201 13.6517 13.6517 13.6609 13.6609 14.0348 14.0348 14.0551 14.0551 14.2557 14.2557 k = 0.0000 0.0000 0.2080 ( 3292 PWs) bands (ev): -30.2938 -30.2938 -30.2833 -30.2833 -11.4302 -11.4302 -11.3539 -11.3539 -10.1366 -10.1366 -10.0309 -10.0309 -9.8079 -9.8079 -9.7806 -9.7806 -4.6126 -4.6126 -4.3405 -4.3405 1.4900 1.4900 1.4925 1.4925 3.1443 3.1443 3.1476 3.1476 4.8306 4.8306 4.9803 4.9803 4.9894 4.9894 5.2886 5.2886 6.0073 6.0073 6.2658 6.2658 10.0308 10.0308 10.2302 10.2302 10.4966 10.4966 11.3648 11.3648 12.8377 12.8377 13.6593 13.6593 13.6679 13.6679 14.0035 14.0035 14.0241 14.0241 14.1267 14.1267 k = 0.0000 0.0000 0.2196 ( 3280 PWs) bands (ev): -30.2928 -30.2928 -30.2843 -30.2843 -11.4222 -11.4222 -11.3607 -11.3607 -10.1276 -10.1276 -10.0425 -10.0425 -9.8052 -9.8052 -9.7832 -9.7832 -4.5858 -4.5858 -4.3666 -4.3666 1.4895 1.4895 1.4916 1.4916 3.1459 3.1459 3.1485 3.1485 4.8791 4.8791 4.9798 4.9798 4.9872 4.9872 5.2483 5.2483 6.0265 6.0265 6.2349 6.2349 10.0492 10.0492 10.2098 10.2098 10.5625 10.5625 11.2608 11.2608 12.9579 12.9579 13.6671 13.6671 13.6745 13.6745 13.9633 13.9633 13.9971 13.9971 14.0099 14.0099 k = 0.0000 0.0000 0.2311 ( 3272 PWs) bands (ev): -30.2918 -30.2918 -30.2854 -30.2854 -11.4142 -11.4142 -11.3678 -11.3678 -10.1181 -10.1181 -10.0540 -10.0540 -9.8025 -9.8025 -9.7859 -9.7859 -4.5586 -4.5586 -4.3933 -4.3933 1.4892 1.4892 1.4908 1.4908 3.1472 3.1472 3.1492 3.1492 4.9277 4.9277 4.9795 4.9795 4.9852 4.9852 5.2063 5.2063 6.0473 6.0473 6.2045 6.2045 10.0681 10.0681 10.1892 10.1892 10.6338 10.6338 11.1597 11.1597 13.0805 13.0805 13.6746 13.6746 13.6798 13.6798 13.8536 13.8536 13.9677 13.9677 13.9745 13.9745 k = 0.0000 0.0000 0.2427 ( 3268 PWs) bands (ev): -30.2907 -30.2907 -30.2864 -30.2864 -11.4062 -11.4062 -11.3751 -11.3751 -10.1083 -10.1083 -10.0653 -10.0653 -9.7998 -9.7998 -9.7887 -9.7887 -4.5311 -4.5311 -4.4205 -4.4205 1.4891 1.4891 1.4902 1.4902 3.1482 3.1482 3.1496 3.1496 4.9748 4.9748 4.9795 4.9795 4.9849 4.9849 5.1628 5.1628 6.0697 6.0697 6.1750 6.1750 10.0876 10.0876 10.1685 10.1685 10.7103 10.7103 11.0619 11.0619 13.2053 13.2053 13.6795 13.6795 13.6812 13.6812 13.7286 13.7286 13.9508 13.9508 13.9570 13.9570 k = 0.0000 0.0000 0.2542 ( 3272 PWs) bands (ev): -30.2896 -30.2896 -30.2875 -30.2875 -11.3982 -11.3982 -11.3826 -11.3826 -10.0980 -10.0980 -10.0765 -10.0765 -9.7970 -9.7970 -9.7915 -9.7915 -4.5034 -4.5034 -4.4480 -4.4480 1.4891 1.4891 1.4897 1.4897 3.1490 3.1490 3.1496 3.1496 4.9799 4.9799 4.9815 4.9815 5.0247 5.0247 5.1179 5.1179 6.0938 6.0938 6.1465 6.1465 10.1074 10.1074 10.1480 10.1480 10.7917 10.7917 10.9678 10.9678 13.3320 13.3320 13.5886 13.5886 13.6863 13.6863 13.6912 13.6912 13.9418 13.9418 13.9453 13.9453 k = 0.0000 0.0000 0.2658 ( 3276 PWs) bands (ev): -30.2886 -30.2886 -30.2886 -30.2886 -11.3904 -11.3904 -11.3904 -11.3904 -10.0874 -10.0874 -10.0874 -10.0874 -9.7942 -9.7942 -9.7942 -9.7942 -4.4757 -4.4757 -4.4757 -4.4757 1.4893 1.4893 1.4893 1.4893 3.1495 3.1495 3.1495 3.1495 4.9806 4.9806 4.9806 4.9806 5.0718 5.0718 5.0718 5.0718 6.1194 6.1194 6.1194 6.1194 10.1276 10.1276 10.1276 10.1276 10.8776 10.8776 10.8776 10.8776 13.4602 13.4602 13.4602 13.4602 13.6895 13.6895 13.6895 13.6895 13.9401 13.9401 13.9401 13.9401 k = 0.0000 0.0000 0.2658 ( 3276 PWs) bands (ev): -30.2886 -30.2886 -30.2886 -30.2886 -11.3904 -11.3904 -11.3904 -11.3904 -10.0874 -10.0874 -10.0874 -10.0874 -9.7942 -9.7942 -9.7942 -9.7942 -4.4757 -4.4757 -4.4757 -4.4757 1.4893 1.4893 1.4893 1.4893 3.1495 3.1495 3.1495 3.1495 4.9806 4.9806 4.9806 4.9806 5.0718 5.0718 5.0718 5.0718 6.1194 6.1194 6.1194 6.1194 10.1276 10.1276 10.1276 10.1276 10.8776 10.8776 10.8776 10.8776 13.4602 13.4602 13.4602 13.4602 13.6895 13.6895 13.6895 13.6895 13.9401 13.9401 13.9401 13.9401 k = 0.0000 0.0119 0.2658 ( 3276 PWs) bands (ev): -30.2886 -30.2886 -30.2886 -30.2886 -11.3911 -11.3911 -11.3897 -11.3897 -10.0885 -10.0885 -10.0863 -10.0863 -9.7945 -9.7945 -9.7944 -9.7944 -4.4758 -4.4758 -4.4743 -4.4743 1.4789 1.4789 1.4895 1.4895 3.1501 3.1501 3.1602 3.1602 4.9308 4.9308 4.9812 4.9812 5.0734 5.0734 5.1166 5.1166 6.1189 6.1189 6.1266 6.1266 10.1228 10.1228 10.1243 10.1243 10.8750 10.8750 10.8758 10.8758 13.4559 13.4559 13.4581 13.4581 13.6887 13.6887 13.6962 13.6962 13.9440 13.9440 13.9487 13.9487 k = 0.0000 0.0238 0.2658 ( 3274 PWs) bands (ev): -30.2885 -30.2885 -30.2885 -30.2885 -11.3918 -11.3918 -11.3891 -11.3891 -10.0897 -10.0897 -10.0853 -10.0853 -9.7951 -9.7951 -9.7950 -9.7950 -4.4751 -4.4751 -4.4716 -4.4716 1.4484 1.4484 1.4900 1.4900 3.1520 3.1520 3.1918 3.1918 4.8488 4.8488 4.9832 4.9832 5.0786 5.0786 5.1834 5.1834 6.1177 6.1177 6.1477 6.1477 10.1088 10.1088 10.1146 10.1146 10.8675 10.8675 10.8703 10.8703 13.4457 13.4457 13.4514 13.4514 13.6891 13.6891 13.7122 13.7122 13.9574 13.9574 13.9719 13.9719 k = 0.0000 0.0357 0.2658 ( 3274 PWs) bands (ev): -30.2884 -30.2884 -30.2884 -30.2884 -11.3927 -11.3927 -11.3886 -11.3886 -10.0910 -10.0910 -10.0844 -10.0844 -9.7962 -9.7962 -9.7960 -9.7960 -4.4736 -4.4736 -4.4673 -4.4673 1.3999 1.3999 1.4908 1.4908 3.1551 3.1551 3.2420 3.2420 4.7600 4.7600 4.9863 4.9863 5.0873 5.0873 5.2475 5.2475 6.1156 6.1156 6.1824 6.1824 10.0856 10.0856 10.0985 10.0985 10.8548 10.8548 10.8612 10.8612 13.4320 13.4320 13.4418 13.4418 13.6899 13.6899 13.7357 13.7357 13.9795 13.9795 14.0087 14.0087 k = 0.0000 0.0476 0.2658 ( 3274 PWs) bands (ev): -30.2883 -30.2883 -30.2883 -30.2883 -11.3936 -11.3936 -11.3882 -11.3882 -10.0923 -10.0923 -10.0835 -10.0835 -9.7977 -9.7977 -9.7973 -9.7973 -4.4713 -4.4713 -4.4613 -4.4613 1.3365 1.3365 1.4919 1.4919 3.1595 3.1595 3.3079 3.3079 4.6678 4.6678 4.9908 4.9908 5.0995 5.0995 5.3061 5.3061 6.1127 6.1127 6.2298 6.2298 10.0538 10.0538 10.0762 10.0762 10.8371 10.8371 10.8487 10.8487 13.4171 13.4171 13.4312 13.4312 13.6908 13.6908 13.7643 13.7643 14.0096 14.0096 14.0569 14.0569 k = 0.0000 0.0595 0.2658 ( 3272 PWs) bands (ev): -30.2881 -30.2881 -30.2881 -30.2881 -11.3946 -11.3946 -11.3879 -11.3879 -10.0937 -10.0937 -10.0827 -10.0827 -9.7996 -9.7996 -9.7989 -9.7989 -4.4685 -4.4685 -4.4538 -4.4538 1.2610 1.2610 1.4934 1.4934 3.1652 3.1652 3.3864 3.3864 4.5736 4.5736 4.9965 4.9965 5.1152 5.1152 5.3591 5.3591 6.1091 6.1091 6.2887 6.2887 10.0139 10.0139 10.0480 10.0480 10.8143 10.8143 10.8329 10.8329 13.4031 13.4031 13.4210 13.4210 13.6916 13.6916 13.7963 13.7963 14.0472 14.0472 14.1147 14.1147 k = 0.0000 0.0714 0.2658 ( 3276 PWs) bands (ev): -30.2879 -30.2879 -30.2879 -30.2879 -11.3956 -11.3956 -11.3876 -11.3876 -10.0952 -10.0952 -10.0819 -10.0819 -9.8019 -9.8019 -9.8009 -9.8009 -4.4649 -4.4649 -4.4446 -4.4446 1.1763 1.1763 1.4952 1.4952 3.1720 3.1720 3.4748 3.4748 4.4782 4.4782 5.0035 5.0035 5.1342 5.1342 5.4069 5.4069 6.1046 6.1046 6.3576 6.3576 9.9665 9.9665 10.0142 10.0142 10.7863 10.7863 10.8143 10.8143 13.3913 13.3913 13.4124 13.4124 13.6922 13.6922 13.8307 13.8307 14.0913 14.0913 14.1803 14.1803 k = 0.0000 0.0833 0.2658 ( 3288 PWs) bands (ev): -30.2877 -30.2877 -30.2877 -30.2877 -11.3967 -11.3967 -11.3874 -11.3874 -10.0968 -10.0968 -10.0812 -10.0812 -9.8046 -9.8046 -9.8032 -9.8032 -4.4609 -4.4609 -4.4339 -4.4339 1.0844 1.0844 1.4974 1.4974 3.1801 3.1801 3.5707 3.5707 4.3822 4.3822 5.0116 5.0116 5.1566 5.1566 5.4507 5.4507 6.0994 6.0994 6.4348 6.4348 9.9125 9.9125 9.9752 9.9752 10.7532 10.7532 10.7931 10.7931 13.3825 13.3825 13.4059 13.4059 13.6923 13.6923 13.8667 13.8667 14.1408 14.1408 14.2526 14.2526 k = 0.0000 0.0952 0.2658 ( 3288 PWs) bands (ev): -30.2874 -30.2874 -30.2874 -30.2874 -11.3978 -11.3978 -11.3873 -11.3873 -10.0985 -10.0985 -10.0806 -10.0806 -9.8075 -9.8075 -9.8057 -9.8057 -4.4562 -4.4562 -4.4214 -4.4214 0.9872 0.9872 1.4999 1.4999 3.1893 3.1893 3.6723 3.6723 4.2862 4.2862 5.0211 5.0211 5.1823 5.1823 5.4914 5.4914 6.0934 6.0934 6.5188 6.5188 9.8524 9.8524 9.9313 9.9313 10.7150 10.7150 10.7695 10.7695 13.3773 13.3773 13.4019 13.4019 13.6918 13.6918 13.9041 13.9041 14.1947 14.1947 14.3303 14.3303 k = 0.0000 0.1071 0.2658 ( 3288 PWs) bands (ev): -30.2872 -30.2872 -30.2871 -30.2871 -11.3991 -11.3991 -11.3873 -11.3873 -10.1002 -10.1002 -10.0801 -10.0801 -9.8107 -9.8107 -9.8085 -9.8085 -4.4511 -4.4511 -4.4074 -4.4074 0.8863 0.8863 1.5027 1.5027 3.1997 3.1997 3.7780 3.7780 4.1905 4.1905 5.0317 5.0317 5.2113 5.2113 5.5301 5.5301 6.0867 6.0867 6.6079 6.6079 9.7872 9.7872 9.8829 9.8829 10.6718 10.6718 10.7440 10.7440 13.3761 13.3761 13.4005 13.4005 13.6903 13.6903 13.9428 13.9428 14.2517 14.2517 14.4126 14.4126 k = 0.0000 0.1190 0.2658 ( 3288 PWs) bands (ev): -30.2868 -30.2868 -30.2868 -30.2868 -11.4003 -11.4003 -11.3874 -11.3874 -10.1021 -10.1021 -10.0797 -10.0797 -9.8142 -9.8142 -9.8115 -9.8115 -4.4454 -4.4454 -4.3918 -4.3918 0.7826 0.7826 1.5059 1.5059 3.2112 3.2112 3.8865 3.8865 4.0954 4.0954 5.0436 5.0436 5.2435 5.2435 5.5675 5.5675 6.0793 6.0793 6.7008 6.7008 9.7174 9.7174 9.8305 9.8305 10.6238 10.6238 10.7168 10.7168 13.3789 13.3789 13.4017 13.4017 13.6877 13.6877 13.9830 13.9830 14.3104 14.3104 14.4984 14.4984 k = 0.0000 0.1310 0.2658 ( 3288 PWs) bands (ev): -30.2865 -30.2865 -30.2864 -30.2864 -11.4017 -11.4017 -11.3875 -11.3875 -10.1042 -10.1042 -10.0794 -10.0794 -9.8179 -9.8179 -9.8146 -9.8146 -4.4393 -4.4393 -4.3747 -4.3747 0.6771 0.6771 1.5094 1.5094 3.2238 3.2238 3.9960 3.9960 4.0023 4.0023 5.0565 5.0565 5.2789 5.2789 5.6045 5.6045 6.0712 6.0712 6.7964 6.7964 9.6439 9.6439 9.7745 9.7745 10.5712 10.5712 10.6884 10.6884 13.3857 13.3857 13.4050 13.4050 13.6838 13.6838 14.0250 14.0250 14.3689 14.3689 14.5870 14.5870 k = 0.0000 0.1429 0.2658 ( 3290 PWs) bands (ev): -30.2861 -30.2861 -30.2861 -30.2861 -11.4030 -11.4030 -11.3878 -11.3878 -10.1063 -10.1063 -10.0792 -10.0792 -9.8218 -9.8218 -9.8179 -9.8179 -4.4328 -4.4328 -4.3560 -4.3560 0.5704 0.5704 1.5133 1.5133 3.2374 3.2374 3.9083 3.9083 4.1085 4.1085 5.0707 5.0707 5.3173 5.3173 5.6415 5.6415 6.0625 6.0625 6.8936 6.8936 9.5673 9.5673 9.7153 9.7153 10.5141 10.5141 10.6589 10.6589 13.3966 13.3966 13.4103 13.4103 13.6786 13.6786 14.0690 14.0690 14.4254 14.4254 14.6772 14.6772 k = 0.0000 0.1548 0.2658 ( 3278 PWs) bands (ev): -30.2857 -30.2857 -30.2856 -30.2856 -11.4045 -11.4045 -11.3881 -11.3881 -10.1086 -10.1086 -10.0791 -10.0791 -9.8257 -9.8257 -9.8213 -9.8213 -4.4260 -4.4260 -4.3358 -4.3358 0.4631 0.4631 1.5176 1.5176 3.2520 3.2520 3.8167 3.8167 4.2203 4.2203 5.0859 5.0859 5.3588 5.3588 5.6790 5.6790 6.0533 6.0533 6.9917 6.9917 9.4881 9.4881 9.6534 9.6534 10.4528 10.4528 10.6287 10.6287 13.4112 13.4112 13.4171 13.4171 13.6719 13.6719 14.1157 14.1157 14.4776 14.4776 14.7681 14.7681 k = 0.0000 0.1667 0.2658 ( 3286 PWs) bands (ev): -30.2853 -30.2853 -30.2852 -30.2852 -11.4059 -11.4059 -11.3885 -11.3885 -10.1110 -10.1110 -10.0791 -10.0791 -9.8298 -9.8298 -9.8247 -9.8247 -4.4188 -4.4188 -4.3141 -4.3141 0.3556 0.3556 1.5222 1.5222 3.2676 3.2676 3.7267 3.7267 4.3318 4.3318 5.1021 5.1021 5.4032 5.4032 5.7174 5.7174 6.0436 6.0436 7.0898 7.0898 9.4071 9.4071 9.5892 9.5892 10.3878 10.3878 10.5980 10.5980 13.4248 13.4248 13.4292 13.4292 13.6636 13.6636 14.1655 14.1655 14.5226 14.5226 14.8584 14.8584 k = 0.0000 0.1786 0.2658 ( 3282 PWs) bands (ev): -30.2849 -30.2849 -30.2848 -30.2848 -11.4075 -11.4075 -11.3890 -11.3890 -10.1135 -10.1135 -10.0793 -10.0793 -9.8338 -9.8338 -9.8281 -9.8281 -4.4113 -4.4113 -4.2910 -4.2910 0.2483 0.2483 1.5272 1.5272 3.2840 3.2840 3.6382 3.6382 4.4425 4.4425 5.1194 5.1194 5.4504 5.4504 5.7569 5.7569 6.0334 6.0334 7.1875 7.1875 9.3247 9.3247 9.5230 9.5230 10.3193 10.3193 10.5670 10.5670 13.4330 13.4330 13.4505 13.4505 13.6540 13.6540 14.2188 14.2188 14.5575 14.5575 14.9467 14.9467 k = 0.0000 0.1905 0.2658 ( 3286 PWs) bands (ev): -30.2844 -30.2844 -30.2843 -30.2843 -11.4090 -11.4090 -11.3897 -11.3897 -10.1162 -10.1162 -10.0797 -10.0797 -9.8379 -9.8379 -9.8315 -9.8315 -4.4037 -4.4037 -4.2665 -4.2665 0.1415 0.1415 1.5326 1.5326 3.3013 3.3013 3.5516 3.5516 4.5519 4.5519 5.1377 5.1377 5.5002 5.5002 5.7976 5.7976 6.0228 6.0228 7.2839 7.2839 9.2413 9.2413 9.4554 9.4554 10.2477 10.2477 10.5361 10.5361 13.4410 13.4410 13.4745 13.4745 13.6429 13.6429 14.2764 14.2764 14.5798 14.5798 15.0314 15.0314 k = 0.0000 0.2024 0.2658 ( 3282 PWs) bands (ev): -30.2839 -30.2839 -30.2838 -30.2838 -11.4106 -11.4106 -11.3904 -11.3904 -10.1190 -10.1190 -10.0802 -10.0802 -9.8419 -9.8419 -9.8349 -9.8349 -4.3958 -4.3958 -4.2406 -4.2406 0.0355 0.0355 1.5385 1.5385 3.3193 3.3193 3.4669 3.4669 4.6594 4.6594 5.1569 5.1569 5.5526 5.5526 5.8398 5.8398 6.0120 6.0120 7.3787 7.3787 9.1576 9.1576 9.3866 9.3866 10.1735 10.1735 10.5053 10.5053 13.4483 13.4483 13.5010 13.5010 13.6305 13.6305 14.3385 14.3385 14.5877 14.5877 15.1107 15.1107 k = 0.0000 0.2143 0.2658 ( 3278 PWs) bands (ev): -30.2835 -30.2835 -30.2833 -30.2833 -11.4123 -11.4123 -11.3911 -11.3911 -10.1219 -10.1219 -10.0809 -10.0809 -9.8458 -9.8458 -9.8381 -9.8381 -4.3878 -4.3878 -4.2135 -4.2135 -0.0695 -0.0695 1.5447 1.5447 3.3379 3.3379 3.3843 3.3843 4.7649 4.7649 5.1769 5.1769 5.6072 5.6072 5.8834 5.8834 6.0010 6.0010 7.4713 7.4713 9.0739 9.0739 9.3170 9.3170 10.0971 10.0971 10.4747 10.4747 13.4544 13.4544 13.5295 13.5295 13.6170 13.6170 14.4054 14.4054 14.5812 14.5812 15.1829 15.1829 k = 0.0000 0.2262 0.2658 ( 3276 PWs) bands (ev): -30.2830 -30.2830 -30.2828 -30.2828 -11.4139 -11.4139 -11.3920 -11.3920 -10.1250 -10.1250 -10.0817 -10.0817 -9.8496 -9.8496 -9.8413 -9.8413 -4.3798 -4.3798 -4.1851 -4.1851 -0.1733 -0.1733 1.5514 1.5514 3.3031 3.3031 3.3577 3.3577 4.8678 4.8678 5.1977 5.1977 5.6638 5.6638 5.9283 5.9283 5.9904 5.9904 7.5612 7.5612 8.9905 8.9905 9.2469 9.2469 10.0189 10.0189 10.4446 10.4446 13.4588 13.4588 13.5590 13.5590 13.6035 13.6035 14.4767 14.4767 14.5630 14.5630 15.2469 15.2469 k = 0.0000 0.2381 0.2658 ( 3288 PWs) bands (ev): -30.2825 -30.2825 -30.2823 -30.2823 -11.4156 -11.4156 -11.3929 -11.3929 -10.1281 -10.1281 -10.0827 -10.0827 -9.8532 -9.8532 -9.8443 -9.8443 -4.3717 -4.3717 -4.1555 -4.1555 -0.2756 -0.2756 1.5585 1.5585 3.2247 3.2247 3.3775 3.3775 4.9678 4.9678 5.2192 5.2192 5.7220 5.7220 5.9700 5.9700 5.9848 5.9848 7.6479 7.6479 8.9079 8.9079 9.1767 9.1767 9.9394 9.9394 10.4150 10.4150 13.4610 13.4610 13.5771 13.5771 13.6023 13.6023 14.5234 14.5234 14.5646 14.5646 15.3023 15.3023 k = 0.0000 0.2500 0.2658 ( 3292 PWs) bands (ev): -30.2820 -30.2820 -30.2818 -30.2818 -11.4173 -11.4173 -11.3939 -11.3939 -10.1313 -10.1313 -10.0839 -10.0839 -9.8567 -9.8567 -9.8472 -9.8472 -4.3636 -4.3636 -4.1248 -4.1248 -0.3763 -0.3763 1.5661 1.5661 3.1484 3.1484 3.3978 3.3978 5.0647 5.0647 5.2414 5.2414 5.7810 5.7810 5.9675 5.9675 6.0258 6.0258 7.7309 7.7309 8.8263 8.8263 9.1067 9.1067 9.8592 9.8592 10.3861 10.3861 13.4607 13.4607 13.5653 13.5653 13.6318 13.6318 14.4912 14.4912 14.6434 14.6434 15.3498 15.3498 k = 0.0000 0.2619 0.2658 ( 3284 PWs) bands (ev): -30.2815 -30.2815 -30.2813 -30.2813 -11.4190 -11.4190 -11.3950 -11.3950 -10.1345 -10.1345 -10.0852 -10.0852 -9.8599 -9.8599 -9.8499 -9.8499 -4.3556 -4.3556 -4.0931 -4.0931 -0.4752 -0.4752 1.5742 1.5742 3.0743 3.0743 3.4185 3.4185 5.1581 5.1581 5.2642 5.2642 5.8391 5.8391 5.9601 5.9601 6.0756 6.0756 7.8096 7.8096 8.7462 8.7462 9.0373 9.0373 9.7788 9.7788 10.3578 10.3578 13.4577 13.4577 13.5485 13.5485 13.6674 13.6674 14.4496 14.4496 14.7325 14.7325 15.3911 15.3911 k = 0.0000 0.2738 0.2658 ( 3278 PWs) bands (ev): -30.2810 -30.2810 -30.2808 -30.2808 -11.4208 -11.4208 -11.3961 -11.3961 -10.1378 -10.1378 -10.0867 -10.0867 -9.8629 -9.8629 -9.8524 -9.8524 -4.3477 -4.3477 -4.0604 -4.0604 -0.5722 -0.5722 1.5828 1.5828 3.0025 3.0025 3.4394 3.4394 5.2476 5.2476 5.2878 5.2878 5.8894 5.8894 5.9612 5.9612 6.1274 6.1274 7.8836 7.8836 8.6678 8.6678 8.9686 8.9686 9.6988 9.6988 10.3303 10.3303 13.4520 13.4520 13.5308 13.5308 13.7051 13.7051 14.4046 14.4046 14.8278 14.8278 15.4279 15.4279 k = 0.0000 0.2857 0.2658 ( 3278 PWs) bands (ev): -30.2805 -30.2805 -30.2803 -30.2803 -11.4225 -11.4225 -11.3973 -11.3973 -10.1411 -10.1411 -10.0883 -10.0883 -9.8657 -9.8657 -9.8548 -9.8548 -4.3399 -4.3399 -4.0270 -4.0270 -0.6669 -0.6669 1.5919 1.5919 2.9331 2.9331 3.4604 3.4604 5.3090 5.3090 5.3362 5.3362 5.9104 5.9104 5.9922 5.9922 6.1809 6.1809 7.9520 7.9520 8.5914 8.5914 8.9010 8.9010 9.6199 9.6199 10.3036 10.3036 13.4437 13.4437 13.5125 13.5125 13.7447 13.7447 14.3581 14.3581 14.9287 14.9287 15.4621 15.4621 k = 0.0000 0.2976 0.2658 ( 3274 PWs) bands (ev): -30.2801 -30.2801 -30.2798 -30.2798 -11.4242 -11.4242 -11.3985 -11.3985 -10.1445 -10.1445 -10.0900 -10.0900 -9.8682 -9.8682 -9.8569 -9.8569 -4.3324 -4.3324 -3.9928 -3.9928 -0.7594 -0.7594 1.6016 1.6016 2.8661 2.8661 3.4814 3.4814 5.3336 5.3336 5.4176 5.4176 5.9086 5.9086 6.0465 6.0465 6.2359 6.2359 8.0143 8.0143 8.5172 8.5172 8.8348 8.8348 9.5429 9.5429 10.2777 10.2777 13.4331 13.4331 13.4941 13.4941 13.7858 13.7858 14.3112 14.3112 15.0352 15.0352 15.4947 15.4947 k = 0.0000 0.3095 0.2658 ( 3280 PWs) bands (ev): -30.2796 -30.2796 -30.2794 -30.2794 -11.4258 -11.4258 -11.3997 -11.3997 -10.1477 -10.1477 -10.0919 -10.0919 -9.8705 -9.8705 -9.8589 -9.8589 -4.3250 -4.3250 -3.9581 -3.9581 -0.8493 -0.8493 1.6118 1.6118 2.8015 2.8015 3.5024 3.5024 5.3575 5.3575 5.4955 5.4955 5.9020 5.9020 6.1056 6.1056 6.2924 6.2924 8.0696 8.0696 8.4456 8.4456 8.7702 8.7702 9.4687 9.4687 10.2528 10.2528 13.4204 13.4204 13.4756 13.4756 13.8284 13.8284 14.2650 14.2650 15.1468 15.1468 15.5263 15.5263 k = 0.0000 0.3214 0.2658 ( 3272 PWs) bands (ev): -30.2791 -30.2791 -30.2789 -30.2789 -11.4275 -11.4275 -11.4010 -11.4010 -10.1510 -10.1510 -10.0938 -10.0938 -9.8726 -9.8726 -9.8607 -9.8607 -4.3179 -4.3179 -3.9230 -3.9230 -0.9365 -0.9365 1.6226 1.6226 2.7394 2.7394 3.5231 3.5231 5.3813 5.3813 5.5688 5.5688 5.8956 5.8956 6.1649 6.1649 6.3503 6.3503 8.1170 8.1170 8.3768 8.3768 8.7076 8.7076 9.3983 9.3983 10.2289 10.2289 13.4060 13.4060 13.4574 13.4574 13.8723 13.8723 14.2199 14.2199 15.2632 15.2632 15.5563 15.5563 k = 0.0000 0.3333 0.2658 ( 3272 PWs) bands (ev): -30.2787 -30.2787 -30.2785 -30.2785 -11.4291 -11.4291 -11.4022 -11.4022 -10.1541 -10.1541 -10.0957 -10.0957 -9.8744 -9.8744 -9.8624 -9.8624 -4.3111 -4.3111 -3.8876 -3.8876 -1.0207 -1.0207 1.6340 1.6340 2.6798 2.6798 3.5434 3.5434 5.4048 5.4048 5.6362 5.6362 5.8912 5.8912 6.2229 6.2229 6.4095 6.4095 8.1554 8.1554 8.3111 8.3111 8.6472 8.6472 9.3330 9.3330 10.2060 10.2060 13.3906 13.3906 13.4395 13.4395 13.9174 13.9174 14.1765 14.1765 15.3842 15.3842 15.5840 15.5840 k = 0.0000 0.3452 0.2658 ( 3266 PWs) bands (ev): -30.2783 -30.2783 -30.2780 -30.2780 -11.4306 -11.4306 -11.4035 -11.4035 -10.1572 -10.1572 -10.0977 -10.0977 -9.8760 -9.8760 -9.8638 -9.8638 -4.3047 -4.3047 -3.8523 -3.8523 -1.1017 -1.1017 1.6459 1.6459 2.6228 2.6228 3.5632 3.5632 5.4279 5.4279 5.6955 5.6955 5.8915 5.8915 6.2786 6.2786 6.4698 6.4698 8.1835 8.1835 8.2488 8.2488 8.5893 8.5893 9.2740 9.2740 10.1841 10.1841 13.3744 13.3744 13.4222 13.4222 13.9633 13.9633 14.1353 14.1353 15.5091 15.5091 15.6080 15.6080 k = 0.0000 0.3571 0.2658 ( 3262 PWs) bands (ev): -30.2779 -30.2779 -30.2776 -30.2776 -11.4321 -11.4321 -11.4047 -11.4047 -10.1601 -10.1601 -10.0996 -10.0996 -9.8774 -9.8774 -9.8651 -9.8651 -4.2986 -4.2986 -3.8172 -3.8172 -1.1792 -1.1792 1.6584 1.6584 2.5684 2.5684 3.5823 3.5823 5.4505 5.4505 5.7423 5.7423 5.9012 5.9012 6.3315 6.3315 6.5311 6.5311 8.1873 8.1873 8.2034 8.2034 8.5341 8.5341 9.2226 9.2226 10.1635 10.1635 13.3580 13.3580 13.4056 13.4056 14.0097 14.0097 14.0964 14.0964 15.6269 15.6269 15.6373 15.6373 k = 0.0000 0.3690 0.2658 ( 3258 PWs) bands (ev): -30.2775 -30.2775 -30.2772 -30.2772 -11.4335 -11.4335 -11.4059 -11.4059 -10.1628 -10.1628 -10.1016 -10.1016 -9.8786 -9.8786 -9.8663 -9.8663 -4.2928 -4.2928 -3.7826 -3.7826 -1.2528 -1.2528 1.6714 1.6714 2.5167 2.5167 3.6006 3.6006 5.4723 5.4723 5.7713 5.7713 5.9254 5.9254 6.3809 6.3809 6.5931 6.5931 8.1337 8.1337 8.2072 8.2072 8.4820 8.4820 9.1797 9.1797 10.1441 10.1441 13.3417 13.3417 13.3898 13.3898 14.0536 14.0536 14.0628 14.0628 15.6397 15.6397 15.7669 15.7669 k = 0.0000 0.3810 0.2658 ( 3252 PWs) bands (ev): -30.2771 -30.2771 -30.2769 -30.2769 -11.4348 -11.4348 -11.4070 -11.4070 -10.1654 -10.1654 -10.1034 -10.1034 -9.8796 -9.8796 -9.8673 -9.8673 -4.2875 -4.2875 -3.7489 -3.7489 -1.3224 -1.3224 1.6848 1.6848 2.4679 2.4679 3.6180 3.6180 5.4932 5.4932 5.7839 5.7839 5.9627 5.9627 6.4266 6.4266 6.6556 6.6556 8.0826 8.0826 8.2006 8.2006 8.4332 8.4332 9.1459 9.1459 10.1260 10.1260 13.3260 13.3260 13.3749 13.3749 14.0258 14.0258 14.1034 14.1034 15.6461 15.6461 15.8889 15.8889 k = 0.0000 0.3929 0.2658 ( 3240 PWs) bands (ev): -30.2768 -30.2768 -30.2765 -30.2765 -11.4360 -11.4360 -11.4080 -11.4080 -10.1678 -10.1678 -10.1052 -10.1052 -9.8805 -9.8805 -9.8682 -9.8682 -4.2827 -4.2827 -3.7163 -3.7163 -1.3874 -1.3874 1.6987 1.6987 2.4219 2.4219 3.6342 3.6342 5.5130 5.5130 5.7870 5.7870 6.0061 6.0061 6.4681 6.4681 6.7182 6.7182 8.0355 8.0355 8.1827 8.1827 8.3880 8.3880 9.1211 9.1211 10.1093 10.1093 13.3111 13.3111 13.3611 13.3611 13.9951 13.9951 14.1490 14.1490 15.6464 15.6464 15.9263 15.9263 k = 0.0000 0.4048 0.2658 ( 3242 PWs) bands (ev): -30.2765 -30.2765 -30.2762 -30.2762 -11.4372 -11.4372 -11.4090 -11.4090 -10.1700 -10.1700 -10.1069 -10.1069 -9.8812 -9.8812 -9.8690 -9.8690 -4.2783 -4.2783 -3.6853 -3.6853 -1.4474 -1.4474 1.7127 1.7127 2.3790 2.3790 3.6492 3.6492 5.5314 5.5314 5.7858 5.7858 6.0503 6.0503 6.5051 6.5051 6.7804 6.7804 7.9926 7.9926 8.1549 8.1549 8.3466 8.3466 9.1042 9.1042 10.0941 10.0941 13.2974 13.2974 13.3485 13.3485 13.9673 13.9673 14.1931 14.1931 15.6420 15.6420 15.8887 15.8887 k = 0.0000 0.4167 0.2658 ( 3240 PWs) bands (ev): -30.2763 -30.2763 -30.2759 -30.2759 -11.4382 -11.4382 -11.4099 -11.4099 -10.1720 -10.1720 -10.1084 -10.1084 -9.8818 -9.8818 -9.8696 -9.8696 -4.2743 -4.2743 -3.6564 -3.6564 -1.5021 -1.5021 1.7268 1.7268 2.3394 2.3394 3.6628 3.6628 5.5483 5.5483 5.7828 5.7828 6.0924 6.0924 6.5375 6.5375 6.8416 6.8416 7.9543 7.9543 8.1193 8.1193 8.3094 8.3094 9.0940 9.0940 10.0804 10.0804 13.2849 13.2849 13.3372 13.3372 13.9426 13.9426 14.2351 14.2351 15.6341 15.6341 15.8460 15.8460 k = 0.0000 0.4286 0.2658 ( 3244 PWs) bands (ev): -30.2760 -30.2760 -30.2757 -30.2757 -11.4391 -11.4391 -11.4107 -11.4107 -10.1738 -10.1738 -10.1097 -10.1097 -9.8822 -9.8822 -9.8702 -9.8702 -4.2709 -4.2709 -3.6299 -3.6299 -1.5509 -1.5509 1.7407 1.7407 2.3034 2.3034 3.6749 3.6749 5.5634 5.5634 5.7792 5.7792 6.1309 6.1309 6.5653 6.5653 6.9008 6.9008 7.9207 7.9207 8.0784 8.0784 8.2765 8.2765 9.0888 9.0888 10.0684 10.0684 13.2739 13.2739 13.3272 13.3272 13.9210 13.9210 14.2741 14.2741 15.6243 15.6243 15.8059 15.8059 k = 0.0000 0.4405 0.2658 ( 3252 PWs) bands (ev): -30.2758 -30.2758 -30.2755 -30.2755 -11.4398 -11.4398 -11.4114 -11.4114 -10.1753 -10.1753 -10.1109 -10.1109 -9.8826 -9.8826 -9.8706 -9.8706 -4.2680 -4.2680 -3.6063 -3.6063 -1.5933 -1.5933 1.7540 1.7540 2.2713 2.2713 3.6854 3.6854 5.5766 5.5766 5.7757 5.7757 6.1650 6.1650 6.5885 6.5885 6.9571 6.9571 7.8919 7.8919 8.0351 8.0351 8.2482 8.2482 9.0870 9.0870 10.0581 10.0581 13.2645 13.2645 13.3186 13.3186 13.9027 13.9027 14.3093 14.3093 15.6139 15.6139 15.7701 15.7701 k = 0.0000 0.4524 0.2658 ( 3258 PWs) bands (ev): -30.2757 -30.2757 -30.2754 -30.2754 -11.4405 -11.4405 -11.4120 -11.4120 -10.1765 -10.1765 -10.1119 -10.1119 -9.8829 -9.8829 -9.8710 -9.8710 -4.2655 -4.2655 -3.5862 -3.5862 -1.6289 -1.6289 1.7662 1.7662 2.2437 2.2437 3.6941 3.6941 5.5877 5.5877 5.7725 5.7725 6.1938 6.1938 6.6071 6.6071 7.0086 7.0086 7.8680 7.8680 7.9925 7.9925 8.2247 8.2247 9.0873 9.0873 10.0496 10.0496 13.2567 13.2567 13.3115 13.3115 13.8876 13.8876 14.3398 14.3398 15.6041 15.6041 15.7395 15.7395 k = 0.0000 0.4643 0.2658 ( 3262 PWs) bands (ev): -30.2756 -30.2756 -30.2752 -30.2752 -11.4410 -11.4410 -11.4125 -11.4125 -10.1775 -10.1775 -10.1127 -10.1127 -9.8831 -9.8831 -9.8712 -9.8712 -4.2637 -4.2637 -3.5700 -3.5700 -1.6572 -1.6572 1.7768 1.7768 2.2211 2.2211 3.7009 3.7009 5.5965 5.5965 5.7699 5.7699 6.2169 6.2169 6.6214 6.6214 7.0533 7.0533 7.8491 7.8491 7.9538 7.9538 8.2063 8.2063 9.0885 9.0885 10.0430 10.0430 13.2506 13.2506 13.3059 13.3059 13.8758 13.8758 14.3647 14.3647 15.5956 15.5956 15.7148 15.7148 k = 0.0000 0.4762 0.2658 ( 3262 PWs) bands (ev): -30.2755 -30.2755 -30.2751 -30.2751 -11.4413 -11.4413 -11.4128 -11.4128 -10.1782 -10.1782 -10.1133 -10.1133 -9.8833 -9.8833 -9.8714 -9.8714 -4.2623 -4.2623 -3.5581 -3.5581 -1.6777 -1.6777 1.7851 1.7851 2.2043 2.2043 3.7059 3.7059 5.6028 5.6028 5.7680 5.7680 6.2337 6.2337 6.6314 6.6314 7.0885 7.0885 7.8353 7.8353 7.9226 7.9226 8.1930 8.1930 9.0899 9.0899 10.0382 10.0382 13.2463 13.2463 13.3019 13.3019 13.8674 13.8674 14.3831 14.3831 15.5891 15.5891 15.6966 15.6966 k = 0.0000 0.4881 0.2658 ( 3264 PWs) bands (ev): -30.2754 -30.2754 -30.2751 -30.2751 -11.4416 -11.4416 -11.4130 -11.4130 -10.1786 -10.1786 -10.1136 -10.1136 -9.8834 -9.8834 -9.8715 -9.8715 -4.2615 -4.2615 -3.5509 -3.5509 -1.6901 -1.6901 1.7904 1.7904 2.1938 2.1938 3.7089 3.7089 5.6067 5.6067 5.7668 5.7668 6.2440 6.2440 6.6373 6.6373 7.1113 7.1113 7.8268 7.8268 7.9022 7.9022 8.1850 8.1850 9.0910 9.0910 10.0353 10.0353 13.2436 13.2436 13.2995 13.2995 13.8623 13.8623 14.3945 14.3945 15.5851 15.5851 15.6854 15.6854 k = 0.0000 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2754 -30.2754 -30.2751 -30.2751 -11.4416 -11.4416 -11.4131 -11.4131 -10.1787 -10.1787 -10.1137 -10.1137 -9.8834 -9.8834 -9.8716 -9.8716 -4.2612 -4.2612 -3.5484 -3.5484 -1.6943 -1.6943 1.7922 1.7922 2.1903 2.1903 3.7099 3.7099 5.6080 5.6080 5.7664 5.7664 6.2474 6.2474 6.6393 6.6393 7.1192 7.1192 7.8239 7.8239 7.8951 7.8951 8.1823 8.1823 9.0914 9.0914 10.0343 10.0343 13.2428 13.2428 13.2987 13.2987 13.8606 13.8606 14.3984 14.3984 15.5837 15.5837 15.6817 15.6817 k = 0.0000 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2754 -30.2754 -30.2751 -30.2751 -11.4416 -11.4416 -11.4131 -11.4131 -10.1787 -10.1787 -10.1137 -10.1137 -9.8834 -9.8834 -9.8716 -9.8716 -4.2612 -4.2612 -3.5484 -3.5484 -1.6943 -1.6943 1.7922 1.7922 2.1903 2.1903 3.7099 3.7099 5.6080 5.6080 5.7664 5.7664 6.2474 6.2474 6.6393 6.6393 7.1192 7.1192 7.8239 7.8239 7.8951 7.8951 8.1823 8.1823 9.0914 9.0914 10.0343 10.0343 13.2428 13.2428 13.2987 13.2987 13.8606 13.8606 14.3984 14.3984 15.5837 15.5837 15.6817 15.6817 k = 0.0119 0.5000 0.2658 ( 3268 PWs) bands (ev): -30.2754 -30.2754 -30.2751 -30.2751 -11.4417 -11.4417 -11.4131 -11.4131 -10.1786 -10.1786 -10.1137 -10.1137 -9.8837 -9.8837 -9.8718 -9.8718 -4.2605 -4.2605 -3.5482 -3.5482 -1.6939 -1.6939 1.7823 1.7823 2.1913 2.1913 3.7207 3.7207 5.6048 5.6048 5.7617 5.7617 6.2447 6.2447 6.6417 6.6417 7.1197 7.1197 7.8105 7.8105 7.8953 7.8953 8.1924 8.1924 9.1060 9.1060 10.0357 10.0357 13.2458 13.2458 13.2846 13.2846 13.8508 13.8508 14.4000 14.4000 15.5996 15.5996 15.6909 15.6909 k = 0.0238 0.5000 0.2658 ( 3268 PWs) bands (ev): -30.2753 -30.2753 -30.2750 -30.2750 -11.4417 -11.4417 -11.4132 -11.4132 -10.1783 -10.1783 -10.1135 -10.1135 -9.8846 -9.8846 -9.8726 -9.8726 -4.2582 -4.2582 -3.5475 -3.5475 -1.6927 -1.6927 1.7532 1.7532 2.1944 2.1944 3.7522 3.7522 5.5954 5.5954 5.7473 5.7473 6.2371 6.2371 6.6488 6.6488 7.1213 7.1213 7.7714 7.7714 7.8968 7.8968 8.2221 8.2221 9.1482 9.1482 10.0398 10.0398 13.2425 13.2425 13.2561 13.2561 13.8218 13.8218 14.4051 14.4051 15.6460 15.6460 15.7179 15.7179 k = 0.0357 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2752 -30.2752 -30.2749 -30.2749 -11.4418 -11.4418 -11.4134 -11.4134 -10.1778 -10.1778 -10.1131 -10.1131 -9.8862 -9.8862 -9.8738 -9.8738 -4.2544 -4.2544 -3.5465 -3.5465 -1.6908 -1.6908 1.7066 1.7066 2.1997 2.1997 3.8027 3.8027 5.5800 5.5800 5.7226 5.7226 6.2267 6.2267 6.6604 6.6604 7.1239 7.1239 7.7105 7.7105 7.9002 7.9002 8.2702 8.2702 9.2134 9.2134 10.0466 10.0466 13.1780 13.1780 13.2710 13.2710 13.7755 13.7755 14.4135 14.4135 15.7199 15.7199 15.7610 15.7610 k = 0.0476 0.5000 0.2658 ( 3260 PWs) bands (ev): -30.2751 -30.2751 -30.2748 -30.2748 -11.4419 -11.4419 -11.4136 -11.4136 -10.1772 -10.1772 -10.1127 -10.1127 -9.8883 -9.8883 -9.8756 -9.8756 -4.2490 -4.2490 -3.5449 -3.5449 -1.6881 -1.6881 1.6452 1.6452 2.2070 2.2070 3.8697 3.8697 5.5592 5.5592 5.6871 5.6871 6.2160 6.2160 6.6760 6.6760 7.1274 7.1274 7.6330 7.6330 7.9055 7.9055 8.3346 8.3346 9.2963 9.2963 10.0561 10.0561 13.0931 13.0931 13.2925 13.2925 13.7144 13.7144 14.4253 14.4253 15.8151 15.8151 15.8194 15.8194 k = 0.0595 0.5000 0.2658 ( 3260 PWs) bands (ev): -30.2749 -30.2749 -30.2746 -30.2746 -11.4421 -11.4421 -11.4139 -11.4139 -10.1763 -10.1763 -10.1121 -10.1121 -9.8911 -9.8911 -9.8778 -9.8778 -4.2422 -4.2422 -3.5430 -3.5430 -1.6846 -1.6846 1.5715 1.5715 2.2163 2.2163 3.9505 3.9505 5.5335 5.5335 5.6405 5.6405 6.2072 6.2072 6.6950 6.6950 7.1320 7.1320 7.5436 7.5436 7.9125 7.9125 8.4132 8.4132 9.3923 9.3923 10.0682 10.0682 12.9926 12.9926 13.3201 13.3201 13.6410 13.6410 14.4404 14.4404 15.8842 15.8842 15.9334 15.9334 k = 0.0714 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2747 -30.2747 -30.2744 -30.2744 -11.4423 -11.4423 -11.4143 -11.4143 -10.1752 -10.1752 -10.1114 -10.1114 -9.8944 -9.8944 -9.8805 -9.8805 -4.2338 -4.2338 -3.5407 -3.5407 -1.6804 -1.6804 1.4882 1.4882 2.2276 2.2276 4.0425 4.0425 5.5035 5.5035 5.5834 5.5834 6.2020 6.2020 6.7168 6.7168 7.1375 7.1375 7.4461 7.4461 7.9211 7.9211 8.5037 8.5037 9.4978 9.4978 10.0827 10.0827 12.8804 12.8804 13.3535 13.3535 13.5579 13.5579 14.4589 14.4589 15.9592 15.9592 16.0645 16.0645 k = 0.0833 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2745 -30.2745 -30.2742 -30.2742 -11.4426 -11.4426 -11.4147 -11.4147 -10.1740 -10.1740 -10.1105 -10.1105 -9.8982 -9.8982 -9.8837 -9.8837 -4.2240 -4.2240 -3.5380 -3.5380 -1.6754 -1.6754 1.3973 1.3973 2.2410 2.2410 4.1434 4.1434 5.4699 5.4699 5.5172 5.5172 6.2010 6.2010 6.7409 6.7409 7.1440 7.1440 7.3431 7.3431 7.9314 7.9314 8.6041 8.6041 9.6101 9.6101 10.0995 10.0995 12.7597 12.7597 13.3925 13.3925 13.4675 13.4675 14.4807 14.4807 16.0398 16.0398 16.2071 16.2071 k = 0.0952 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2743 -30.2743 -30.2739 -30.2739 -11.4429 -11.4429 -11.4153 -11.4153 -10.1726 -10.1726 -10.1096 -10.1096 -9.9025 -9.9025 -9.8873 -9.8873 -4.2126 -4.2126 -3.5350 -3.5350 -1.6698 -1.6698 1.3008 1.3008 2.2564 2.2564 4.2515 4.2515 5.4317 5.4317 5.4448 5.4448 6.2045 6.2045 6.7668 6.7668 7.1512 7.1512 7.2364 7.2364 7.9432 7.9432 8.7125 8.7125 9.7272 9.7272 10.1186 10.1186 12.6331 12.6331 13.3700 13.3700 13.4385 13.4385 14.5058 14.5058 16.1240 16.1240 16.3583 16.3583 k = 0.1071 0.5000 0.2658 ( 3272 PWs) bands (ev): -30.2740 -30.2740 -30.2737 -30.2737 -11.4432 -11.4432 -11.4158 -11.4158 -10.1710 -10.1710 -10.1085 -10.1085 -9.9072 -9.9072 -9.8913 -9.8913 -4.1998 -4.1998 -3.5316 -3.5316 -1.6634 -1.6634 1.2000 1.2000 2.2736 2.2736 4.3651 4.3651 5.3614 5.3614 5.3960 5.3960 6.2122 6.2122 6.7940 6.7940 7.1273 7.1273 7.1594 7.1594 7.9565 7.9565 8.8273 8.8273 9.8478 9.8478 10.1397 10.1397 12.5027 12.5027 13.2698 13.2698 13.4884 13.4884 14.5343 14.5343 16.2099 16.2099 16.4842 16.4842 k = 0.1190 0.5000 0.2658 ( 3272 PWs) bands (ev): -30.2736 -30.2736 -30.2734 -30.2734 -11.4436 -11.4436 -11.4165 -11.4165 -10.1692 -10.1692 -10.1074 -10.1074 -9.9124 -9.9124 -9.8957 -9.8957 -4.1856 -4.1856 -3.5280 -3.5280 -1.6564 -1.6564 1.0962 1.0962 2.2928 2.2928 4.4830 4.4830 5.2769 5.2769 5.3549 5.3549 6.2238 6.2238 6.8221 6.8221 7.0170 7.0170 7.1682 7.1682 7.9714 7.9714 8.9472 8.9472 9.9709 9.9709 10.1626 10.1626 12.3702 12.3702 13.1661 13.1661 13.5438 13.5438 14.5660 14.5660 16.2959 16.2959 16.4434 16.4434 k = 0.1310 0.5000 0.2658 ( 3272 PWs) bands (ev): -30.2733 -30.2733 -30.2730 -30.2730 -11.4440 -11.4440 -11.4172 -11.4172 -10.1674 -10.1674 -10.1061 -10.1061 -9.9180 -9.9180 -9.9005 -9.9005 -4.1699 -4.1699 -3.5240 -3.5240 -1.6487 -1.6487 0.9902 0.9902 2.3139 2.3139 4.6042 4.6042 5.1889 5.1889 5.3127 5.3127 6.2388 6.2388 6.8505 6.8505 6.9062 6.9062 7.1777 7.1777 7.9878 7.9878 9.0707 9.0707 10.0956 10.0956 10.1872 10.1872 12.2371 12.2371 13.0604 13.0604 13.6041 13.6041 14.6010 14.6010 16.3760 16.3760 16.4069 16.4069 k = 0.1429 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2729 -30.2729 -30.2726 -30.2726 -11.4444 -11.4444 -11.4180 -11.4180 -10.1653 -10.1653 -10.1048 -10.1048 -9.9239 -9.9239 -9.9057 -9.9057 -4.1527 -4.1527 -3.5198 -3.5198 -1.6404 -1.6404 0.8829 0.8829 2.3368 2.3368 4.7279 4.7279 5.0987 5.0987 5.2696 5.2696 6.2569 6.2569 6.7946 6.7946 6.8799 6.8799 7.1879 7.1879 8.0056 8.0056 9.1966 9.1966 10.2125 10.2125 10.2222 10.2222 12.1046 12.1046 12.9534 12.9534 13.6691 13.6691 14.6393 14.6393 16.3598 16.3598 16.4679 16.4679 k = 0.1548 0.5000 0.2658 ( 3268 PWs) bands (ev): -30.2725 -30.2725 -30.2723 -30.2723 -11.4449 -11.4449 -11.4189 -11.4189 -10.1632 -10.1632 -10.1033 -10.1033 -9.9301 -9.9301 -9.9111 -9.9111 -4.1342 -4.1342 -3.5154 -3.5154 -1.6316 -1.6316 0.7749 0.7749 2.3614 2.3614 4.8533 4.8533 5.0072 5.0072 5.2259 5.2259 6.2780 6.2780 6.6839 6.6839 6.9087 6.9087 7.1986 7.1986 8.0249 8.0249 9.3236 9.3236 10.2404 10.2404 10.3479 10.3479 11.9741 11.9741 12.8458 12.8458 13.7384 13.7384 14.6807 14.6807 16.3256 16.3256 16.5479 16.5479 k = 0.1667 0.5000 0.2658 ( 3276 PWs) bands (ev): -30.2721 -30.2721 -30.2719 -30.2719 -11.4455 -11.4455 -11.4198 -11.4198 -10.1609 -10.1609 -10.1018 -10.1018 -9.9365 -9.9365 -9.9168 -9.9168 -4.1143 -4.1143 -3.5108 -3.5108 -1.6222 -1.6222 0.6666 0.6666 2.3878 2.3878 4.9152 4.9152 4.9798 4.9798 5.1818 5.1818 6.3017 6.3017 6.5737 6.5737 6.9374 6.9374 7.2097 7.2097 8.0455 8.0455 9.4503 9.4503 10.2687 10.2687 10.4744 10.4744 11.8468 11.8468 12.7380 12.7380 13.8117 13.8117 14.7252 14.7252 16.2954 16.2954 16.6241 16.6241 k = 0.1786 0.5000 0.2658 ( 3268 PWs) bands (ev): -30.2717 -30.2717 -30.2714 -30.2714 -11.4460 -11.4460 -11.4208 -11.4208 -10.1585 -10.1585 -10.1003 -10.1003 -9.9432 -9.9432 -9.9228 -9.9228 -4.0931 -4.0931 -3.5061 -3.5061 -1.6122 -1.6122 0.5584 0.5584 2.4158 2.4158 4.8233 4.8233 5.1070 5.1070 5.1378 5.1378 6.3278 6.3278 6.4647 6.4647 6.9658 6.9658 7.2213 7.2213 8.0675 8.0675 9.5750 9.5750 10.2979 10.2979 10.6007 10.6007 11.7244 11.7244 12.6306 12.6306 13.8886 13.8886 14.7729 14.7729 16.2701 16.2701 16.6944 16.6944 k = 0.1905 0.5000 0.2658 ( 3260 PWs) bands (ev): -30.2712 -30.2712 -30.2710 -30.2710 -11.4466 -11.4466 -11.4219 -11.4219 -10.1561 -10.1561 -10.0987 -10.0987 -9.9500 -9.9500 -9.9289 -9.9289 -4.0706 -4.0706 -3.5012 -3.5012 -1.6019 -1.6019 0.4508 0.4508 2.4455 2.4455 4.7321 4.7321 5.0938 5.0938 5.2344 5.2344 6.3466 6.3466 6.3663 6.3663 6.9937 6.9937 7.2331 7.2331 8.0908 8.0908 9.6956 9.6956 10.3276 10.3276 10.7266 10.7266 11.6090 11.6090 12.5239 12.5239 13.9687 13.9687 14.8235 14.8235 16.2503 16.2503 16.7549 16.7549 k = 0.2024 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2707 -30.2707 -30.2705 -30.2705 -11.4472 -11.4472 -11.4230 -11.4230 -10.1535 -10.1535 -10.0971 -10.0971 -9.9569 -9.9569 -9.9353 -9.9353 -4.0468 -4.0468 -3.4963 -3.4963 -1.5911 -1.5911 0.3440 0.3440 2.4767 2.4767 4.6419 4.6419 5.0504 5.0504 5.3615 5.3615 6.2479 6.2479 6.3890 6.3890 7.0211 7.0211 7.2452 7.2452 8.1153 8.1153 9.8091 9.8091 10.3576 10.3576 10.8516 10.8516 11.5033 11.5033 12.4182 12.4182 14.0515 14.0515 14.8770 14.8770 16.2366 16.2366 16.7962 16.7962 k = 0.2143 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2703 -30.2703 -30.2701 -30.2701 -11.4479 -11.4479 -11.4242 -11.4242 -10.1509 -10.1509 -10.0954 -10.0954 -9.9639 -9.9639 -9.9417 -9.9417 -4.0218 -4.0218 -3.4913 -3.4913 -1.5799 -1.5799 0.2382 0.2382 2.5094 2.5094 4.5531 4.5531 5.0075 5.0075 5.4879 5.4879 6.1426 6.1426 6.4220 6.4220 7.0477 7.0477 7.2574 7.2574 8.1409 8.1409 9.9113 9.9113 10.3878 10.3878 10.9757 10.9757 11.4113 11.4113 12.3138 12.3138 14.1367 14.1367 14.9334 14.9334 16.2292 16.2292 16.8049 16.8049 k = 0.2262 0.5000 0.2658 ( 3260 PWs) bands (ev): -30.2698 -30.2698 -30.2696 -30.2696 -11.4486 -11.4486 -11.4255 -11.4255 -10.1482 -10.1482 -10.0938 -10.0938 -9.9709 -9.9709 -9.9482 -9.9482 -3.9956 -3.9956 -3.4863 -3.4863 -1.5684 -1.5684 0.1337 0.1337 2.5435 2.5435 4.4660 4.4660 4.9655 4.9655 5.6132 5.6132 6.0386 6.0386 6.4573 6.4573 7.0736 7.0736 7.2697 7.2697 8.1677 8.1677 9.9967 9.9967 10.4178 10.4178 11.0986 11.0986 11.3385 11.3385 12.2110 12.2110 14.2236 14.2236 14.9924 14.9924 16.2284 16.2284 16.7932 16.7932 k = 0.2381 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2693 -30.2693 -30.2691 -30.2691 -11.4492 -11.4492 -11.4268 -11.4268 -10.1455 -10.1455 -10.0921 -10.0921 -9.9779 -9.9779 -9.9548 -9.9548 -3.9684 -3.9684 -3.4813 -3.4813 -1.5567 -1.5567 0.0308 0.0308 2.5789 2.5789 4.3810 4.3810 4.9245 4.9245 5.7371 5.7371 5.9361 5.9361 6.4947 6.4947 7.0986 7.0986 7.2820 7.2820 8.1955 8.1955 10.0585 10.0585 10.4476 10.4476 11.2200 11.2200 11.2915 11.2915 12.1100 12.1100 14.3118 14.3118 15.0539 15.0539 16.2346 16.2346 16.7709 16.7709 k = 0.2500 0.5000 0.2658 ( 3260 PWs) bands (ev): -30.2688 -30.2688 -30.2686 -30.2686 -11.4499 -11.4499 -11.4282 -11.4282 -10.1428 -10.1428 -10.0905 -10.0905 -9.9848 -9.9848 -9.9614 -9.9614 -3.9402 -3.9402 -3.4764 -3.4764 -1.5447 -1.5447 -0.0704 -0.0704 2.6157 2.6157 4.2982 4.2982 4.8845 4.8845 5.8352 5.8352 5.8593 5.8593 6.5342 6.5342 7.1228 7.1228 7.2941 7.2941 8.2242 8.2242 10.0902 10.0902 10.4769 10.4769 11.2764 11.2764 11.3398 11.3398 12.0110 12.0110 14.4008 14.4008 15.1177 15.1177 16.2478 16.2478 16.7311 16.7311 k = 0.2619 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2683 -30.2683 -30.2682 -30.2682 -11.4507 -11.4507 -11.4296 -11.4296 -10.1400 -10.1400 -10.0889 -10.0889 -9.9916 -9.9916 -9.9679 -9.9679 -3.9110 -3.9110 -3.4715 -3.4715 -1.5327 -1.5327 -0.1697 -0.1697 2.6537 2.6537 4.2179 4.2179 4.8458 4.8458 5.7364 5.7364 5.9792 5.9792 6.5755 6.5755 7.1461 7.1461 7.3062 7.3062 8.2537 8.2537 10.0888 10.0888 10.5055 10.5055 11.2962 11.2962 11.4577 11.4577 11.9143 11.9143 14.4899 14.4899 15.1837 15.1837 16.2678 16.2678 16.6796 16.6796 k = 0.2738 0.5000 0.2658 ( 3256 PWs) bands (ev): -30.2678 -30.2678 -30.2677 -30.2677 -11.4514 -11.4514 -11.4311 -11.4311 -10.1373 -10.1373 -10.0874 -10.0874 -9.9982 -9.9982 -9.9744 -9.9744 -3.8809 -3.8809 -3.4667 -3.4667 -1.5205 -1.5205 -0.2669 -0.2669 2.6928 2.6928 4.1403 4.1403 4.8085 4.8085 5.6394 5.6394 6.0966 6.0966 6.6187 6.6187 7.1683 7.1683 7.3180 7.3180 8.2839 8.2839 10.0569 10.0569 10.5332 10.5332 11.3481 11.3481 11.5737 11.5737 11.8200 11.8200 14.5788 14.5788 15.2514 15.2514 16.2943 16.2943 16.6244 16.6244 k = 0.2857 0.5000 0.2658 ( 3244 PWs) bands (ev): -30.2673 -30.2673 -30.2672 -30.2672 -11.4521 -11.4521 -11.4326 -11.4326 -10.1346 -10.1346 -10.0859 -10.0859 -10.0046 -10.0046 -9.9808 -9.9808 -3.8501 -3.8501 -3.4621 -3.4621 -1.5083 -1.5083 -0.3618 -0.3618 2.7329 2.7329 4.0655 4.0655 4.7726 4.7726 5.5445 5.5445 6.2112 6.2112 6.6636 6.6636 7.1896 7.1896 7.3295 7.3295 8.3146 8.3146 10.0009 10.0009 10.5599 10.5599 11.4253 11.4253 11.6875 11.6875 11.7284 11.7284 14.6668 14.6668 15.3206 15.3206 16.3264 16.3264 16.5681 16.5681 k = 0.2976 0.5000 0.2658 ( 3248 PWs) bands (ev): -30.2669 -30.2669 -30.2667 -30.2667 -11.4528 -11.4528 -11.4341 -11.4341 -10.1319 -10.1319 -10.0846 -10.0846 -10.0108 -10.0108 -9.9870 -9.9870 -3.8187 -3.8187 -3.4576 -3.4576 -1.4962 -1.4962 -0.4541 -0.4541 2.7740 2.7740 3.9938 3.9938 4.7382 4.7382 5.4517 5.4517 6.3225 6.3225 6.7101 6.7101 7.2099 7.2099 7.3406 7.3406 8.3458 8.3458 9.9279 9.9279 10.5854 10.5854 11.5206 11.5206 11.6395 11.6395 11.7989 11.7989 14.7534 14.7534 15.3907 15.3907 16.3624 16.3624 16.5118 16.5118 k = 0.3095 0.5000 0.2658 ( 3248 PWs) bands (ev): -30.2664 -30.2664 -30.2663 -30.2663 -11.4535 -11.4535 -11.4356 -11.4356 -10.1292 -10.1292 -10.0834 -10.0834 -10.0167 -10.0167 -9.9931 -9.9931 -3.7868 -3.7868 -3.4532 -3.4532 -1.4843 -1.4843 -0.5438 -0.5438 2.8159 2.8159 3.9252 3.9252 4.7055 4.7055 5.3610 5.3610 6.4303 6.4303 6.7582 6.7582 7.2291 7.2291 7.3513 7.3513 8.3771 8.3771 9.8439 9.8439 10.6097 10.6097 11.5538 11.5538 11.6276 11.6276 11.9077 11.9077 14.8383 14.8383 15.4613 15.4613 16.3988 16.3988 16.4566 16.4566 k = 0.3214 0.5000 0.2658 ( 3240 PWs) bands (ev): -30.2659 -30.2659 -30.2658 -30.2658 -11.4541 -11.4541 -11.4372 -11.4372 -10.1266 -10.1266 -10.0824 -10.0824 -10.0221 -10.0221 -9.9990 -9.9990 -3.7546 -3.7546 -3.4491 -3.4491 -1.4725 -1.4725 -0.6305 -0.6305 2.8584 2.8584 3.8600 3.8600 4.6745 4.6745 5.2728 5.2728 6.5342 6.5342 6.8078 6.8078 7.2472 7.2472 7.3616 7.3616 8.4086 8.4086 9.7532 9.7532 10.6325 10.6325 11.4712 11.4712 11.7417 11.7417 12.0137 12.0137 14.9209 14.9209 15.5316 15.5316 16.3985 16.3985 16.4354 16.4354 k = 0.3333 0.5000 0.2658 ( 3244 PWs) bands (ev): -30.2655 -30.2655 -30.2654 -30.2654 -11.4547 -11.4547 -11.4388 -11.4388 -10.1240 -10.1240 -10.0816 -10.0816 -10.0272 -10.0272 -10.0046 -10.0046 -3.7223 -3.7223 -3.4451 -3.4451 -1.4610 -1.4610 -0.7140 -0.7140 2.9016 2.9016 3.7982 3.7982 4.6453 4.6453 5.1870 5.1870 6.6337 6.6337 6.8585 6.8585 7.2642 7.2642 7.3714 7.3714 8.4398 8.4398 9.6589 9.6589 10.6539 10.6539 11.3922 11.3922 11.8594 11.8594 12.1165 12.1165 15.0009 15.0009 15.6004 15.6004 16.3462 16.3462 16.4338 16.4338 k = 0.3452 0.5000 0.2658 ( 3244 PWs) bands (ev): -30.2651 -30.2651 -30.2650 -30.2650 -11.4553 -11.4553 -11.4403 -11.4403 -10.1216 -10.1216 -10.0811 -10.0811 -10.0318 -10.0318 -10.0100 -10.0100 -3.6900 -3.6900 -3.4414 -3.4414 -1.4499 -1.4499 -0.7942 -0.7942 2.9451 2.9451 3.7401 3.7401 4.6179 4.6179 5.1039 5.1039 6.7286 6.7286 6.9104 6.9104 7.2801 7.2801 7.3806 7.3806 8.4706 8.4706 9.5631 9.5631 10.6738 10.6738 11.3168 11.3168 11.9785 11.9785 12.2160 12.2160 15.0780 15.0780 15.6661 15.6661 16.2946 16.2946 16.3764 16.3764 k = 0.3571 0.5000 0.2658 ( 3244 PWs) bands (ev): -30.2647 -30.2647 -30.2646 -30.2646 -11.4558 -11.4558 -11.4418 -11.4418 -10.1192 -10.1192 -10.0808 -10.0808 -10.0359 -10.0359 -10.0151 -10.0151 -3.6581 -3.6581 -3.4379 -3.4379 -1.4392 -1.4392 -0.8706 -0.8706 2.9888 2.9888 3.6857 3.6857 4.5923 4.5923 5.0236 5.0236 6.8185 6.8185 6.9631 6.9631 7.2949 7.2949 7.3892 7.3892 8.5008 8.5008 9.4672 9.4672 10.6922 10.6922 11.2454 11.2454 12.0969 12.0969 12.3118 12.3118 15.1517 15.1517 15.7264 15.7264 16.2454 16.2454 16.3231 16.3231 k = 0.3690 0.5000 0.2658 ( 3248 PWs) bands (ev): -30.2643 -30.2643 -30.2643 -30.2643 -11.4563 -11.4563 -11.4434 -11.4434 -10.1169 -10.1169 -10.0810 -10.0810 -10.0394 -10.0394 -10.0199 -10.0199 -3.6267 -3.6267 -3.4346 -3.4346 -1.4291 -1.4291 -0.9430 -0.9430 3.0325 3.0325 3.6352 3.6352 4.5687 4.5687 4.9463 4.9463 6.9030 6.9030 7.0163 7.0163 7.3086 7.3086 7.3972 7.3972 8.5301 8.5301 9.3726 9.3726 10.7090 10.7090 11.1782 11.1782 12.2130 12.2130 12.4035 12.4035 15.2218 15.2218 15.7772 15.7772 16.1998 16.1998 16.2778 16.2778 k = 0.3810 0.5000 0.2658 ( 3244 PWs) bands (ev): -30.2640 -30.2640 -30.2639 -30.2639 -11.4567 -11.4567 -11.4448 -11.4448 -10.1147 -10.1147 -10.0814 -10.0814 -10.0423 -10.0423 -10.0243 -10.0243 -3.5961 -3.5961 -3.4316 -3.4316 -1.4195 -1.4195 -1.0111 -1.0111 3.0758 3.0758 3.5887 3.5887 4.5470 4.5470 4.8724 4.8724 6.9817 6.9817 7.0698 7.0698 7.3211 7.3211 7.4046 7.4046 8.5582 8.5582 9.2802 9.2802 10.7242 10.7242 11.1155 11.1155 12.3255 12.3255 12.4906 12.4906 15.2878 15.2878 15.8128 15.8128 16.1591 16.1591 16.2453 16.2453 k = 0.3929 0.5000 0.2658 ( 3240 PWs) bands (ev): -30.2636 -30.2636 -30.2636 -30.2636 -11.4570 -11.4570 -11.4463 -11.4463 -10.1126 -10.1126 -10.0823 -10.0823 -10.0446 -10.0446 -10.0284 -10.0284 -3.5668 -3.5668 -3.4288 -3.4288 -1.4106 -1.4106 -1.0745 -1.0745 3.1183 3.1183 3.5462 3.5462 4.5273 4.5273 4.8022 4.8022 7.0543 7.0543 7.1229 7.1229 7.3324 7.3324 7.4114 7.4114 8.5848 8.5848 9.1909 9.1909 10.7379 10.7379 11.0575 11.0575 12.4330 12.4330 12.5726 12.5726 15.3494 15.3494 15.8273 15.8273 16.1230 16.1230 16.2321 16.2321 k = 0.4048 0.5000 0.2658 ( 3240 PWs) bands (ev): -30.2633 -30.2633 -30.2633 -30.2633 -11.4573 -11.4573 -11.4476 -11.4476 -10.1106 -10.1106 -10.0834 -10.0834 -10.0464 -10.0464 -10.0321 -10.0321 -3.5390 -3.5390 -3.4264 -3.4264 -1.4024 -1.4024 -1.1329 -1.1329 3.1598 3.1598 3.5080 3.5080 4.5096 4.5096 4.7361 4.7361 7.1205 7.1205 7.1753 7.1753 7.3426 7.3426 7.4174 7.4174 8.6096 8.6096 9.1056 9.1056 10.7500 10.7500 11.0046 11.0046 12.5343 12.5343 12.6490 12.6490 15.4062 15.4062 15.8196 15.8196 16.0900 16.0900 16.2282 16.2282 k = 0.4167 0.5000 0.2658 ( 3240 PWs) bands (ev): -30.2631 -30.2631 -30.2631 -30.2631 -11.4574 -11.4574 -11.4489 -11.4489 -10.1086 -10.1086 -10.0849 -10.0849 -10.0476 -10.0476 -10.0355 -10.0355 -3.5131 -3.5131 -3.4242 -3.4242 -1.3950 -1.3950 -1.1858 -1.1858 3.1995 3.1995 3.4740 3.4740 4.4939 4.4939 4.6746 4.6746 7.1798 7.1798 7.2261 7.2261 7.3517 7.3517 7.4228 7.4228 8.6324 8.6324 9.0252 9.0252 10.7606 10.7606 10.9570 10.9570 12.6282 12.6282 12.7191 12.7191 15.4576 15.4576 15.7958 15.7958 16.0594 16.0594 16.1699 16.1699 k = 0.4286 0.5000 0.2658 ( 3240 PWs) bands (ev): -30.2628 -30.2628 -30.2628 -30.2628 -11.4575 -11.4575 -11.4502 -11.4502 -10.1068 -10.1068 -10.0865 -10.0865 -10.0485 -10.0485 -10.0384 -10.0384 -3.4895 -3.4895 -3.4223 -3.4223 -1.3884 -1.3884 -1.2328 -1.2328 3.2368 3.2368 3.4444 3.4444 4.4803 4.4803 4.6184 4.6184 7.2321 7.2321 7.2744 7.2744 7.3596 7.3596 7.4275 7.4275 8.6527 8.6527 8.9510 8.9510 10.7697 10.7697 10.9150 10.9150 12.7132 12.7132 12.7821 12.7821 15.5033 15.5033 15.7640 15.7640 16.0319 16.0319 16.1165 16.1165 k = 0.4405 0.5000 0.2658 ( 3236 PWs) bands (ev): -30.2626 -30.2626 -30.2626 -30.2626 -11.4575 -11.4575 -11.4513 -11.4513 -10.1050 -10.1050 -10.0882 -10.0882 -10.0490 -10.0490 -10.0410 -10.0410 -3.4687 -3.4687 -3.4207 -3.4207 -1.3828 -1.3828 -1.2735 -1.2735 3.2709 3.2709 3.4192 3.4192 4.4687 4.4687 4.5684 4.5684 7.2768 7.2768 7.3190 7.3190 7.3664 7.3664 7.4315 7.4315 8.6705 8.6705 8.8841 8.8841 10.7774 10.7774 10.8789 10.8789 12.7881 12.7881 12.8373 12.8373 15.5427 15.5427 15.7303 15.7303 16.0078 16.0078 16.0689 16.0689 k = 0.4524 0.5000 0.2658 ( 3224 PWs) bands (ev): -30.2625 -30.2625 -30.2625 -30.2625 -11.4573 -11.4573 -11.4524 -11.4524 -10.1033 -10.1033 -10.0900 -10.0900 -10.0492 -10.0492 -10.0432 -10.0432 -3.4509 -3.4509 -3.4193 -3.4193 -1.3781 -1.3781 -1.3075 -1.3075 3.3010 3.3010 3.3985 3.3985 4.4593 4.4593 4.5253 4.5253 7.3139 7.3139 7.3577 7.3577 7.3731 7.3731 7.4348 7.4348 8.6854 8.6854 8.8259 8.8259 10.7836 10.7836 10.8489 10.8489 12.8517 12.8517 12.8838 12.8838 15.5755 15.5755 15.6988 15.6988 15.9878 15.9878 16.0282 16.0282 k = 0.4643 0.5000 0.2658 ( 3216 PWs) bands (ev): -30.2623 -30.2623 -30.2623 -30.2623 -11.4571 -11.4571 -11.4534 -11.4534 -10.1017 -10.1017 -10.0917 -10.0917 -10.0493 -10.0493 -10.0450 -10.0450 -3.4367 -3.4367 -3.4183 -3.4183 -1.3744 -1.3744 -1.3344 -1.3344 3.3259 3.3259 3.3823 3.3823 4.4519 4.4519 4.4903 4.4903 7.3429 7.3429 7.3742 7.3742 7.3944 7.3944 7.4374 7.4374 8.6972 8.6972 8.7782 8.7782 10.7884 10.7884 10.8254 10.8254 12.9026 12.9026 12.9210 12.9210 15.6014 15.6014 15.6720 15.6720 15.9720 15.9720 15.9953 15.9953 k = 0.4762 0.5000 0.2658 ( 3220 PWs) bands (ev): -30.2623 -30.2623 -30.2622 -30.2622 -11.4567 -11.4567 -11.4543 -11.4543 -10.1001 -10.1001 -10.0935 -10.0935 -10.0492 -10.0492 -10.0464 -10.0464 -3.4262 -3.4262 -3.4175 -3.4175 -1.3718 -1.3718 -1.3539 -1.3539 3.3447 3.3447 3.3707 3.3707 4.4466 4.4466 4.4643 4.4643 7.3638 7.3638 7.3779 7.3779 7.4193 7.4193 7.4393 7.4393 8.7058 8.7058 8.7424 8.7424 10.7918 10.7918 10.8084 10.8084 12.9398 12.9398 12.9481 12.9481 15.6200 15.6200 15.6518 15.6518 15.9605 15.9605 15.9711 15.9711 k = 0.4881 0.5000 0.2658 ( 3220 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4563 -11.4563 -11.4551 -11.4551 -10.0984 -10.0984 -10.0952 -10.0952 -10.0488 -10.0488 -10.0475 -10.0475 -3.4198 -3.4198 -3.4171 -3.4171 -1.3702 -1.3702 -1.3657 -1.3657 3.3564 3.3564 3.3637 3.3637 4.4435 4.4435 4.4483 4.4483 7.3764 7.3764 7.3799 7.3799 7.4351 7.4351 7.4404 7.4404 8.7110 8.7110 8.7203 8.7203 10.7938 10.7938 10.7982 10.7982 12.9626 12.9626 12.9647 12.9647 15.6312 15.6312 15.6392 15.6392 15.9536 15.9536 15.9563 15.9563 k = 0.5000 0.5000 0.2658 ( 3216 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4557 -11.4557 -11.4557 -11.4557 -10.0968 -10.0968 -10.0968 -10.0968 -10.0483 -10.0483 -10.0483 -10.0483 -3.4173 -3.4173 -3.4173 -3.4173 -1.3696 -1.3696 -1.3696 -1.3696 3.3609 3.3609 3.3609 3.3609 4.4426 4.4426 4.4426 4.4426 7.3805 7.3805 7.3805 7.3805 7.4407 7.4407 7.4407 7.4407 8.7128 8.7128 8.7128 8.7128 10.7946 10.7946 10.7946 10.7946 12.9702 12.9702 12.9702 12.9702 15.6349 15.6349 15.6349 15.6349 15.9513 15.9513 15.9513 15.9513 k = 0.5000 0.5000 0.2658 ( 3216 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4557 -11.4557 -11.4557 -11.4557 -10.0968 -10.0968 -10.0968 -10.0968 -10.0483 -10.0483 -10.0483 -10.0483 -3.4173 -3.4173 -3.4173 -3.4173 -1.3696 -1.3696 -1.3696 -1.3696 3.3609 3.3609 3.3609 3.3609 4.4426 4.4426 4.4426 4.4426 7.3805 7.3805 7.3805 7.3805 7.4407 7.4407 7.4407 7.4407 8.7128 8.7128 8.7128 8.7128 10.7946 10.7946 10.7946 10.7946 12.9702 12.9702 12.9702 12.9702 15.6349 15.6349 15.6349 15.6349 15.9513 15.9513 15.9513 15.9513 k = 0.4915 0.4915 0.2658 ( 3218 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4563 -11.4563 -11.4550 -11.4550 -10.0984 -10.0984 -10.0951 -10.0951 -10.0488 -10.0488 -10.0475 -10.0475 -3.4194 -3.4194 -3.4176 -3.4176 -1.3679 -1.3679 -1.3679 -1.3679 3.3582 3.3582 3.3619 3.3619 4.4449 4.4449 4.4469 4.4469 7.3781 7.3781 7.3781 7.3781 7.4369 7.4369 7.4386 7.4386 8.7155 8.7155 8.7159 8.7159 10.7953 10.7953 10.7967 10.7967 12.9635 12.9635 12.9635 12.9635 15.6351 15.6351 15.6352 15.6352 15.9550 15.9550 15.9551 15.9551 k = 0.4831 0.4831 0.2658 ( 3218 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4568 -11.4568 -11.4543 -11.4543 -10.1000 -10.1000 -10.0935 -10.0935 -10.0491 -10.0491 -10.0464 -10.0464 -3.4238 -3.4238 -3.4201 -3.4201 -1.3627 -1.3627 -1.3627 -1.3627 3.3539 3.3539 3.3613 3.3613 4.4537 4.4537 4.4577 4.4577 7.3707 7.3707 7.3708 7.3708 7.4273 7.4273 7.4306 7.4306 8.7240 8.7240 8.7248 8.7248 10.7987 10.7987 10.8016 10.8016 12.9436 12.9436 12.9437 12.9437 15.6355 15.6355 15.6358 15.6358 15.9661 15.9661 15.9663 15.9663 k = 0.4746 0.4746 0.2658 ( 3218 PWs) bands (ev): -30.2623 -30.2623 -30.2623 -30.2623 -11.4571 -11.4571 -11.4534 -11.4534 -10.1016 -10.1016 -10.0918 -10.0918 -10.0491 -10.0491 -10.0452 -10.0452 -3.4304 -3.4304 -3.4250 -3.4250 -1.3541 -1.3541 -1.3541 -1.3541 3.3481 3.3481 3.3590 3.3590 4.4690 4.4690 4.4748 4.4748 7.3585 7.3585 7.3587 7.3587 7.4121 7.4121 7.4169 7.4169 8.7381 8.7381 8.7392 8.7392 10.8049 10.8049 10.8093 10.8093 12.9111 12.9111 12.9112 12.9112 15.6353 15.6353 15.6357 15.6357 15.9848 15.9848 15.9850 15.9850 k = 0.4661 0.4661 0.2658 ( 3222 PWs) bands (ev): -30.2625 -30.2625 -30.2625 -30.2625 -11.4573 -11.4573 -11.4524 -11.4524 -10.1031 -10.1031 -10.0902 -10.0902 -10.0488 -10.0488 -10.0437 -10.0437 -3.4393 -3.4393 -3.4320 -3.4320 -1.3422 -1.3422 -1.3422 -1.3422 3.3412 3.3412 3.3555 3.3555 4.4904 4.4904 4.4978 4.4978 7.3416 7.3416 7.3418 7.3418 7.3918 7.3918 7.3981 7.3981 8.7573 8.7573 8.7588 8.7588 10.8139 10.8139 10.8196 10.8196 12.8668 12.8668 12.8670 12.8670 15.6336 15.6336 15.6342 15.6342 16.0108 16.0108 16.0110 16.0110 k = 0.4576 0.4576 0.2658 ( 3230 PWs) bands (ev): -30.2626 -30.2626 -30.2626 -30.2626 -11.4575 -11.4575 -11.4513 -11.4513 -10.1045 -10.1045 -10.0886 -10.0886 -10.0481 -10.0481 -10.0419 -10.0419 -3.4502 -3.4502 -3.4413 -3.4413 -1.3270 -1.3270 -1.3269 -1.3269 3.3334 3.3334 3.3508 3.3508 4.5177 4.5177 4.5266 4.5266 7.3199 7.3199 7.3201 7.3201 7.3668 7.3668 7.3745 7.3745 8.7811 8.7811 8.7829 8.7829 10.8255 10.8255 10.8325 10.8325 12.8118 12.8118 12.8120 12.8120 15.6294 15.6294 15.6300 15.6300 16.0436 16.0436 16.0437 16.0437 k = 0.4492 0.4492 0.2658 ( 3232 PWs) bands (ev): -30.2628 -30.2628 -30.2628 -30.2628 -11.4575 -11.4575 -11.4501 -11.4501 -10.1059 -10.1059 -10.0871 -10.0871 -10.0471 -10.0471 -10.0399 -10.0399 -3.4632 -3.4632 -3.4525 -3.4525 -1.3086 -1.3086 -1.3085 -1.3085 3.3251 3.3251 3.3452 3.3452 4.5506 4.5506 4.5606 4.5606 7.2936 7.2936 7.2939 7.2939 7.3376 7.3376 7.3466 7.3466 8.8090 8.8090 8.8111 8.8111 10.8396 10.8396 10.8479 10.8479 12.7472 12.7472 12.7475 12.7475 15.6219 15.6219 15.6227 15.6227 16.0815 16.0815 16.0816 16.0816 k = 0.4407 0.4407 0.2658 ( 3236 PWs) bands (ev): -30.2631 -30.2631 -30.2631 -30.2631 -11.4574 -11.4574 -11.4488 -11.4488 -10.1072 -10.1072 -10.0857 -10.0857 -10.0457 -10.0457 -10.0377 -10.0377 -3.4780 -3.4780 -3.4657 -3.4657 -1.2871 -1.2871 -1.2870 -1.2870 3.3166 3.3166 3.3392 3.3392 4.5885 4.5885 4.5995 4.5995 7.2629 7.2629 7.2632 7.2632 7.3049 7.3049 7.3151 7.3151 8.8404 8.8404 8.8428 8.8428 10.8562 10.8562 10.8656 10.8656 12.6744 12.6744 12.6747 12.6747 15.6104 15.6104 15.6114 15.6114 16.1215 16.1215 16.1216 16.1216 k = 0.4322 0.4322 0.2658 ( 3236 PWs) bands (ev): -30.2634 -30.2634 -30.2634 -30.2634 -11.4572 -11.4572 -11.4474 -11.4474 -10.1085 -10.1085 -10.0844 -10.0844 -10.0439 -10.0439 -10.0353 -10.0353 -3.4946 -3.4946 -3.4808 -3.4808 -1.2627 -1.2627 -1.2625 -1.2625 3.3081 3.3081 3.3331 3.3331 4.6312 4.6312 4.6429 4.6429 7.2277 7.2277 7.2280 7.2280 7.2692 7.2692 7.2805 7.2805 8.8749 8.8749 8.8775 8.8775 10.8749 10.8749 10.8854 10.8854 12.5948 12.5948 12.5952 12.5952 15.5947 15.5947 15.5959 15.5959 16.1573 16.1573 16.1580 16.1580 k = 0.4237 0.4237 0.2658 ( 3234 PWs) bands (ev): -30.2637 -30.2637 -30.2637 -30.2637 -11.4568 -11.4568 -11.4460 -11.4460 -10.1097 -10.1097 -10.0833 -10.0833 -10.0417 -10.0417 -10.0326 -10.0326 -3.5128 -3.5128 -3.4975 -3.4975 -1.2355 -1.2355 -1.2352 -1.2352 3.3000 3.3000 3.3270 3.3270 4.6782 4.6782 4.6905 4.6905 7.1884 7.1884 7.1887 7.1887 7.2309 7.2309 7.2433 7.2433 8.9118 8.9118 8.9146 8.9146 10.8954 10.8954 10.9069 10.9069 12.5097 12.5097 12.5102 12.5102 15.5743 15.5743 15.5758 15.5758 16.1774 16.1774 16.1803 16.1803 k = 0.4153 0.4153 0.2658 ( 3234 PWs) bands (ev): -30.2640 -30.2640 -30.2640 -30.2640 -11.4564 -11.4564 -11.4444 -11.4444 -10.1108 -10.1108 -10.0824 -10.0824 -10.0392 -10.0392 -10.0296 -10.0296 -3.5325 -3.5325 -3.5157 -3.5157 -1.2057 -1.2057 -1.2052 -1.2052 3.2926 3.2926 3.3214 3.3214 4.7291 4.7291 4.7417 4.7417 7.1450 7.1450 7.1452 7.1452 7.1906 7.1906 7.2040 7.2040 8.9507 8.9507 8.9539 8.9539 10.9173 10.9173 10.9297 10.9297 12.4208 12.4208 12.4213 12.4213 15.5489 15.5489 15.5509 15.5509 16.1739 16.1739 16.1803 16.1803 k = 0.4068 0.4068 0.2658 ( 3238 PWs) bands (ev): -30.2644 -30.2644 -30.2644 -30.2644 -11.4559 -11.4559 -11.4428 -11.4428 -10.1119 -10.1119 -10.0815 -10.0815 -10.0362 -10.0362 -10.0264 -10.0264 -3.5536 -3.5536 -3.5354 -3.5354 -1.1732 -1.1732 -1.1727 -1.1727 3.2860 3.2860 3.3164 3.3164 4.7835 4.7835 4.7962 4.7962 7.0977 7.0977 7.0979 7.0979 7.1486 7.1486 7.1630 7.1630 8.9913 8.9913 8.9947 8.9947 10.9399 10.9399 10.9530 10.9530 12.3295 12.3295 12.3301 12.3301 15.5186 15.5186 15.5209 15.5209 16.1533 16.1533 16.1630 16.1630 k = 0.3983 0.3983 0.2658 ( 3238 PWs) bands (ev): -30.2648 -30.2648 -30.2648 -30.2648 -11.4553 -11.4553 -11.4411 -11.4411 -10.1129 -10.1129 -10.0809 -10.0809 -10.0328 -10.0328 -10.0230 -10.0230 -3.5758 -3.5758 -3.5564 -3.5564 -1.1383 -1.1383 -1.1377 -1.1377 3.2806 3.2806 3.3123 3.3123 4.8410 4.8410 4.8537 4.8537 7.0468 7.0468 7.0469 7.0469 7.1053 7.1053 7.1205 7.1205 9.0332 9.0332 9.0369 9.0369 10.9622 10.9622 10.9757 10.9757 12.2379 12.2379 12.2385 12.2385 15.4830 15.4830 15.4858 15.4858 16.1242 16.1242 16.1368 16.1368 k = 0.3898 0.3898 0.2658 ( 3240 PWs) bands (ev): -30.2652 -30.2652 -30.2652 -30.2652 -11.4545 -11.4545 -11.4394 -11.4394 -10.1139 -10.1139 -10.0803 -10.0803 -10.0291 -10.0291 -10.0194 -10.0194 -3.5991 -3.5991 -3.5785 -3.5785 -1.1012 -1.1012 -1.1003 -1.1003 3.2764 3.2764 3.3093 3.3093 4.9012 4.9012 4.9137 4.9137 6.9926 6.9926 6.9927 6.9927 7.0610 7.0610 7.0770 7.0770 9.0760 9.0760 9.0802 9.0802 10.9828 10.9828 10.9965 10.9965 12.1481 12.1481 12.1485 12.1485 15.4423 15.4423 15.4456 15.4456 16.0907 16.0907 16.1058 16.1058 k = 0.3814 0.3814 0.2658 ( 3244 PWs) bands (ev): -30.2657 -30.2657 -30.2657 -30.2657 -11.4537 -11.4537 -11.4376 -11.4376 -10.1148 -10.1148 -10.0799 -10.0799 -10.0250 -10.0250 -10.0155 -10.0155 -3.6234 -3.6234 -3.6016 -3.6016 -1.0619 -1.0619 -1.0609 -1.0609 3.2736 3.2736 3.3075 3.3075 4.9636 4.9636 4.9759 4.9759 6.9353 6.9353 6.9354 6.9354 7.0159 7.0159 7.0325 7.0325 9.1196 9.1196 9.1241 9.1241 10.9995 10.9995 11.0132 11.0132 12.0629 12.0629 12.0630 12.0630 15.3965 15.3965 15.4004 15.4004 16.0546 16.0546 16.0722 16.0722 k = 0.3729 0.3729 0.2658 ( 3252 PWs) bands (ev): -30.2662 -30.2662 -30.2662 -30.2662 -11.4528 -11.4528 -11.4357 -11.4357 -10.1157 -10.1157 -10.0795 -10.0795 -10.0206 -10.0206 -10.0113 -10.0113 -3.6485 -3.6485 -3.6256 -3.6256 -1.0205 -1.0205 -1.0193 -1.0193 3.2723 3.2723 3.3071 3.3071 5.0279 5.0279 5.0398 5.0398 6.8754 6.8754 6.8755 6.8755 6.9701 6.9701 6.9874 6.9874 9.1636 9.1636 9.1687 9.1687 11.0097 11.0097 11.0229 11.0229 11.9853 11.9853 11.9857 11.9857 15.3461 15.3461 15.3503 15.3503 16.0170 16.0170 16.0368 16.0368 k = 0.3644 0.3644 0.2658 ( 3252 PWs) bands (ev): -30.2667 -30.2667 -30.2667 -30.2667 -11.4518 -11.4518 -11.4338 -11.4338 -10.1165 -10.1165 -10.0792 -10.0792 -10.0159 -10.0159 -10.0070 -10.0070 -3.6742 -3.6742 -3.6504 -3.6504 -0.9771 -0.9771 -0.9758 -0.9758 3.2727 3.2727 3.3081 3.3081 5.0934 5.0934 5.1049 5.1049 6.8133 6.8133 6.8135 6.8135 6.9240 6.9240 6.9419 6.9419 9.2080 9.2080 9.2136 9.2136 11.0096 11.0096 11.0218 11.0218 11.9195 11.9195 11.9210 11.9210 15.2912 15.2912 15.2958 15.2958 15.9784 15.9784 16.0001 16.0001 k = 0.3559 0.3559 0.2658 ( 3256 PWs) bands (ev): -30.2672 -30.2672 -30.2672 -30.2672 -11.4507 -11.4507 -11.4319 -11.4319 -10.1173 -10.1173 -10.0790 -10.0790 -10.0110 -10.0110 -10.0024 -10.0024 -3.7006 -3.7006 -3.6759 -3.6759 -0.9319 -0.9319 -0.9304 -0.9304 3.2747 3.2747 3.3108 3.3108 5.1596 5.1596 5.1707 5.1707 6.7495 6.7495 6.7498 6.7498 6.8777 6.8777 6.8961 6.8961 9.2525 9.2525 9.2587 9.2587 10.9955 10.9955 11.0061 11.0061 11.8701 11.8701 11.8729 11.8729 15.2324 15.2324 15.2373 15.2373 15.9391 15.9391 15.9623 15.9623 k = 0.3475 0.3475 0.2658 ( 3260 PWs) bands (ev): -30.2678 -30.2678 -30.2678 -30.2678 -11.4495 -11.4495 -11.4299 -11.4299 -10.1180 -10.1180 -10.0788 -10.0788 -10.0058 -10.0058 -9.9976 -9.9976 -3.7274 -3.7274 -3.7019 -3.7019 -0.8849 -0.8849 -0.8833 -0.8833 3.2786 3.2786 3.3151 3.3151 5.2259 5.2259 5.2363 5.2363 6.6845 6.6845 6.6849 6.6849 6.8313 6.8313 6.8502 6.8502 9.2971 9.2971 9.3038 9.3038 10.9642 10.9642 10.9729 10.9729 11.8405 11.8405 11.8450 11.8450 15.1701 15.1701 15.1751 15.1751 15.8995 15.8995 15.9239 15.9239 k = 0.3390 0.3390 0.2658 ( 3256 PWs) bands (ev): -30.2683 -30.2683 -30.2683 -30.2683 -11.4483 -11.4483 -11.4279 -11.4279 -10.1186 -10.1186 -10.0787 -10.0787 -10.0003 -10.0003 -9.9925 -9.9925 -3.7546 -3.7546 -3.7283 -3.7283 -0.8362 -0.8362 -0.8345 -0.8345 3.2843 3.2843 3.3211 3.3211 5.2912 5.2912 5.3010 5.3010 6.6192 6.6192 6.6197 6.6197 6.7852 6.7852 6.8044 6.8044 9.3415 9.3415 9.3490 9.3490 10.9151 10.9151 10.9216 10.9216 11.8319 11.8319 11.8381 11.8381 15.1048 15.1048 15.1100 15.1100 15.8599 15.8599 15.8852 15.8852 k = 0.3305 0.3305 0.2658 ( 3244 PWs) bands (ev): -30.2689 -30.2689 -30.2689 -30.2689 -11.4469 -11.4469 -11.4259 -11.4259 -10.1192 -10.1192 -10.0786 -10.0786 -9.9946 -9.9946 -9.9873 -9.9873 -3.7821 -3.7821 -3.7551 -3.7551 -0.7860 -0.7860 -0.7842 -0.7842 3.2918 3.2918 3.3288 3.3288 5.3544 5.3544 5.3635 5.3635 6.5545 6.5545 6.5551 6.5551 6.7394 6.7394 6.7589 6.7589 9.3857 9.3857 9.3939 9.3939 10.8498 10.8498 10.8542 10.8542 11.8429 11.8429 11.8507 11.8507 15.0370 15.0370 15.0423 15.0423 15.8207 15.8207 15.8465 15.8465 k = 0.3220 0.3220 0.2658 ( 3258 PWs) bands (ev): -30.2696 -30.2696 -30.2696 -30.2696 -11.4456 -11.4456 -11.4238 -11.4238 -10.1197 -10.1197 -10.0785 -10.0785 -9.9887 -9.9887 -9.9819 -9.9819 -3.8097 -3.8097 -3.7822 -3.7822 -0.7343 -0.7343 -0.7323 -0.7323 3.3013 3.3013 3.3384 3.3384 5.4138 5.4138 5.4223 5.4223 6.4917 6.4917 6.4924 6.4924 6.6944 6.6944 6.7141 6.7141 9.4296 9.4296 9.4385 9.4385 10.7718 10.7718 10.7742 10.7742 11.8705 11.8705 11.8795 11.8795 14.9673 14.9673 14.9725 14.9725 15.7821 15.7821 15.8081 15.8081 k = 0.3136 0.3136 0.2658 ( 3258 PWs) bands (ev): -30.2702 -30.2702 -30.2702 -30.2702 -11.4441 -11.4441 -11.4218 -11.4218 -10.1201 -10.1201 -10.0784 -10.0784 -9.9827 -9.9827 -9.9762 -9.9762 -3.8375 -3.8375 -3.8095 -3.8095 -0.6810 -0.6810 -0.6790 -0.6790 3.3127 3.3127 3.3497 3.3497 5.4674 5.4674 5.4751 5.4751 6.4327 6.4327 6.4335 6.4335 6.6504 6.6504 6.6702 6.6702 9.4729 9.4729 9.4827 9.4827 10.6848 10.6848 10.6855 10.6855 11.9114 11.9114 11.9213 11.9213 14.8962 14.8962 14.9013 14.9013 15.7447 15.7447 15.7705 15.7705 k = 0.3051 0.3051 0.2658 ( 3262 PWs) bands (ev): -30.2709 -30.2709 -30.2709 -30.2709 -11.4426 -11.4426 -11.4198 -11.4198 -10.1204 -10.1204 -10.0784 -10.0784 -9.9765 -9.9765 -9.9704 -9.9704 -3.8653 -3.8653 -3.8369 -3.8369 -0.6265 -0.6265 -0.6243 -0.6243 3.3260 3.3260 3.3629 3.3629 5.5122 5.5122 5.5190 5.5190 6.3798 6.3798 6.3806 6.3806 6.6080 6.6080 6.6278 6.6278 9.5156 9.5156 9.5262 9.5262 10.5914 10.5914 10.5922 10.5922 11.9627 11.9627 11.9731 11.9731 14.8240 14.8240 14.8290 14.8290 15.7086 15.7086 15.7341 15.7341 k = 0.2966 0.2966 0.2658 ( 3266 PWs) bands (ev): -30.2715 -30.2715 -30.2715 -30.2715 -11.4411 -11.4411 -11.4178 -11.4178 -10.1207 -10.1207 -10.0783 -10.0783 -9.9701 -9.9701 -9.9645 -9.9645 -3.8931 -3.8931 -3.8643 -3.8643 -0.5706 -0.5706 -0.5683 -0.5683 3.3413 3.3413 3.3780 3.3780 5.5445 5.5445 5.5504 5.5504 6.3357 6.3357 6.3363 6.3363 6.5680 6.5680 6.5877 6.5877 9.5572 9.5572 9.5688 9.5688 10.4945 10.4945 10.4968 10.4968 12.0221 12.0221 12.0328 12.0328 14.7514 14.7514 14.7562 14.7562 15.6741 15.6741 15.6990 15.6990 k = 0.2881 0.2881 0.2658 ( 3270 PWs) bands (ev): -30.2722 -30.2722 -30.2722 -30.2722 -11.4395 -11.4395 -11.4158 -11.4158 -10.1209 -10.1209 -10.0783 -10.0783 -9.9636 -9.9636 -9.9584 -9.9584 -3.9207 -3.9207 -3.8917 -3.8917 -0.5134 -0.5134 -0.5111 -0.5111 3.3585 3.3585 3.3948 3.3948 5.5604 5.5604 5.5653 5.5653 6.3027 6.3027 6.3028 6.3028 6.5321 6.5321 6.5514 6.5514 9.5975 9.5975 9.6102 9.6102 10.3973 10.3973 10.4010 10.4010 12.0879 12.0879 12.0986 12.0986 14.6785 14.6785 14.6832 14.6832 15.6414 15.6414 15.6656 15.6656 k = 0.2797 0.2797 0.2658 ( 3266 PWs) bands (ev): -30.2729 -30.2729 -30.2729 -30.2729 -11.4378 -11.4378 -11.4138 -11.4138 -10.1210 -10.1210 -10.0782 -10.0782 -9.9569 -9.9569 -9.9521 -9.9521 -3.9482 -3.9482 -3.9190 -3.9190 -0.4550 -0.4550 -0.4527 -0.4527 3.3776 3.3776 3.4136 3.4136 5.5572 5.5572 5.5610 5.5610 6.2803 6.2803 6.2810 6.2810 6.5028 6.5028 6.5211 6.5211 9.6356 9.6356 9.6495 9.6495 10.3019 10.3019 10.3072 10.3072 12.1588 12.1588 12.1695 12.1695 14.6060 14.6060 14.6104 14.6104 15.6107 15.6107 15.6339 15.6339 k = 0.2712 0.2712 0.2658 ( 3266 PWs) bands (ev): -30.2736 -30.2736 -30.2736 -30.2736 -11.4362 -11.4362 -11.4119 -11.4119 -10.1210 -10.1210 -10.0782 -10.0782 -9.9502 -9.9502 -9.9458 -9.9458 -3.9755 -3.9755 -3.9461 -3.9461 -0.3955 -0.3955 -0.3931 -0.3931 3.3986 3.3986 3.4341 3.4341 5.5341 5.5341 5.5370 5.5370 6.2646 6.2646 6.2670 6.2670 6.4842 6.4842 6.5008 6.5008 9.6701 9.6701 9.6853 9.6853 10.2112 10.2112 10.2182 10.2182 12.2338 12.2338 12.2443 12.2443 14.5340 14.5340 14.5382 14.5382 15.5819 15.5819 15.6041 15.6041 k = 0.2627 0.2627 0.2658 ( 3268 PWs) bands (ev): -30.2743 -30.2743 -30.2743 -30.2743 -11.4345 -11.4345 -11.4100 -11.4100 -10.1209 -10.1209 -10.0781 -10.0781 -9.9434 -9.9434 -9.9393 -9.9393 -4.0024 -4.0024 -3.9731 -3.9731 -0.3348 -0.3348 -0.3324 -0.3324 3.4215 3.4215 3.4564 3.4564 5.4934 5.4934 5.4954 5.4954 6.2487 6.2487 6.2535 6.2535 6.4813 6.4813 6.4950 6.4950 9.6982 9.6982 9.7150 9.7150 10.1289 10.1289 10.1377 10.1377 12.3120 12.3120 12.3223 12.3223 14.4630 14.4630 14.4670 14.4670 15.5549 15.5549 15.5759 15.5759 k = 0.2542 0.2542 0.2658 ( 3272 PWs) bands (ev): -30.2750 -30.2750 -30.2750 -30.2750 -11.4327 -11.4327 -11.4081 -11.4081 -10.1208 -10.1208 -10.0781 -10.0781 -9.9365 -9.9365 -9.9327 -9.9327 -4.0291 -4.0291 -3.9998 -3.9998 -0.2731 -0.2731 -0.2707 -0.2707 3.4463 3.4463 3.4805 3.4805 5.4385 5.4385 5.4398 5.4398 6.2269 6.2269 6.2342 6.2342 6.4955 6.4955 6.5062 6.5062 9.7150 9.7150 9.7327 9.7327 10.0620 10.0620 10.0720 10.0720 12.3929 12.3929 12.4029 12.4029 14.3934 14.3934 14.3971 14.3971 15.5297 15.5297 15.5492 15.5492 k = 0.2458 0.2458 0.2658 ( 3264 PWs) bands (ev): -30.2757 -30.2757 -30.2757 -30.2757 -11.4310 -11.4310 -11.4063 -11.4063 -10.1205 -10.1205 -10.0780 -10.0780 -9.9295 -9.9295 -9.9261 -9.9261 -4.0553 -4.0553 -4.0261 -4.0261 -0.2103 -0.2103 -0.2079 -0.2079 3.4729 3.4729 3.5063 3.5063 5.3731 5.3731 5.3737 5.3737 6.1985 6.1985 6.2077 6.2077 6.5236 6.5236 6.5317 6.5317 9.7126 9.7126 9.7293 9.7293 10.0204 10.0204 10.0298 10.0298 12.4757 12.4757 12.4853 12.4853 14.3254 14.3254 14.3288 14.3288 15.5056 15.5056 15.5234 15.5234 k = 0.2373 0.2373 0.2658 ( 3270 PWs) bands (ev): -30.2764 -30.2764 -30.2764 -30.2764 -11.4293 -11.4293 -11.4046 -11.4046 -10.1202 -10.1202 -10.0780 -10.0780 -9.9226 -9.9226 -9.9194 -9.9194 -4.0811 -4.0811 -4.0521 -4.0521 -0.1466 -0.1466 -0.1442 -0.1442 3.5012 3.5012 3.5337 3.5337 5.3001 5.3001 5.3001 5.3001 6.1654 6.1654 6.1756 6.1756 6.5602 6.5602 6.5663 6.5663 9.6867 9.6867 9.6998 9.6998 10.0104 10.0104 10.0165 10.0165 12.5598 12.5598 12.5691 12.5691 14.2593 14.2593 14.2624 14.2624 15.4823 15.4823 15.4981 15.4981 k = 0.2288 0.2288 0.2658 ( 3274 PWs) bands (ev): -30.2771 -30.2771 -30.2771 -30.2771 -11.4275 -11.4275 -11.4029 -11.4029 -10.1197 -10.1197 -10.0779 -10.0779 -9.9156 -9.9156 -9.9127 -9.9127 -4.1064 -4.1064 -4.0777 -4.0777 -0.0819 -0.0819 -0.0796 -0.0796 3.5313 3.5313 3.5628 3.5628 5.2212 5.2212 5.2216 5.2216 6.1295 6.1295 6.1401 6.1401 6.6003 6.6003 6.6050 6.6050 9.6434 9.6434 9.6523 9.6523 10.0246 10.0246 10.0271 10.0271 12.6447 12.6447 12.6535 12.6535 14.1955 14.1955 14.1982 14.1982 15.4587 15.4587 15.4722 15.4722 k = 0.2203 0.2203 0.2658 ( 3278 PWs) bands (ev): -30.2778 -30.2778 -30.2778 -30.2778 -11.4257 -11.4257 -11.4013 -11.4013 -10.1192 -10.1192 -10.0779 -10.0779 -9.9086 -9.9086 -9.9060 -9.9060 -4.1311 -4.1311 -4.1028 -4.1028 -0.0164 -0.0164 -0.0141 -0.0141 3.5629 3.5629 3.5934 3.5934 5.1385 5.1385 5.1394 5.1394 6.0921 6.0921 6.1027 6.1027 6.6405 6.6405 6.6441 6.6441 9.5932 9.5932 9.5987 9.5987 10.0519 10.0519 10.0524 10.0524 12.7296 12.7296 12.7380 12.7380 14.1343 14.1343 14.1366 14.1366 15.4338 15.4338 15.4443 15.4443 k = 0.2119 0.2119 0.2658 ( 3278 PWs) bands (ev): -30.2785 -30.2785 -30.2785 -30.2785 -11.4240 -11.4240 -11.3997 -11.3997 -10.1185 -10.1185 -10.0779 -10.0779 -9.9017 -9.9017 -9.8993 -9.8993 -4.1553 -4.1553 -4.1275 -4.1275 0.0500 0.0500 0.0522 0.0522 3.5960 3.5960 3.6253 3.6253 5.0533 5.0533 5.0546 5.0546 6.0540 6.0540 6.0643 6.0643 6.6781 6.6781 6.6808 6.6808 9.5437 9.5437 9.5468 9.5468 10.0845 10.0845 10.0868 10.0868 12.8139 12.8139 12.8218 12.8218 14.0760 14.0760 14.0779 14.0779 15.4058 15.4058 15.4129 15.4129 k = 0.2034 0.2034 0.2658 ( 3274 PWs) bands (ev): -30.2791 -30.2791 -30.2791 -30.2791 -11.4222 -11.4222 -11.3983 -11.3983 -10.1178 -10.1178 -10.0778 -10.0778 -9.8948 -9.8948 -9.8927 -9.8927 -4.1789 -4.1789 -4.1516 -4.1516 0.1172 0.1172 0.1193 0.1193 3.6305 3.6305 3.6585 3.6585 4.9664 4.9664 4.9682 4.9682 6.0157 6.0157 6.0254 6.0254 6.7108 6.7108 6.7130 6.7130 9.4993 9.4993 9.5007 9.5007 10.1212 10.1212 10.1248 10.1248 12.8969 12.8969 12.9042 12.9042 14.0212 14.0212 14.0224 14.0224 15.3727 15.3727 15.3760 15.3760 k = 0.1949 0.1949 0.2658 ( 3274 PWs) bands (ev): -30.2798 -30.2798 -30.2798 -30.2798 -11.4205 -11.4205 -11.3969 -11.3969 -10.1170 -10.1170 -10.0778 -10.0778 -9.8880 -9.8880 -9.8860 -9.8860 -4.2018 -4.2018 -4.1751 -4.1751 0.1851 0.1851 0.1871 0.1871 3.6661 3.6661 3.6926 3.6926 4.8787 4.8787 4.8811 4.8811 5.9774 5.9774 5.9865 5.9865 6.7371 6.7371 6.7390 6.7390 9.4628 9.4628 9.4629 9.4629 10.1603 10.1603 10.1648 10.1648 12.9775 12.9775 12.9841 12.9841 13.9703 13.9703 13.9707 13.9707 15.3320 15.3320 15.3327 15.3327 k = 0.1864 0.1864 0.2658 ( 3282 PWs) bands (ev): -30.2805 -30.2805 -30.2805 -30.2805 -11.4187 -11.4187 -11.3956 -11.3956 -10.1161 -10.1161 -10.0778 -10.0778 -9.8812 -9.8812 -9.8795 -9.8795 -4.2241 -4.2241 -4.1979 -4.1979 0.2536 0.2536 0.2556 0.2556 3.7025 3.7025 3.7274 3.7274 4.7910 4.7910 4.7939 4.7939 5.9395 5.9395 5.9477 5.9477 6.7559 6.7559 6.7575 6.7575 9.4347 9.4347 9.4356 9.4356 10.2008 10.2008 10.2059 10.2059 13.0547 13.0547 13.0606 13.0606 13.9232 13.9232 13.9238 13.9238 15.2796 15.2796 15.2842 15.2842 k = 0.1780 0.1780 0.2658 ( 3278 PWs) bands (ev): -30.2811 -30.2811 -30.2811 -30.2811 -11.4170 -11.4170 -11.3944 -11.3944 -10.1151 -10.1151 -10.0778 -10.0778 -9.8746 -9.8746 -9.8730 -9.8730 -4.2456 -4.2456 -4.2201 -4.2201 0.3228 0.3228 0.3246 0.3246 3.7392 3.7392 3.7623 3.7623 4.7040 4.7040 4.7077 4.7077 5.9019 5.9019 5.9092 5.9092 6.7661 6.7661 6.7676 6.7676 9.4171 9.4171 9.4187 9.4187 10.2421 10.2421 10.2476 10.2476 13.1273 13.1273 13.1323 13.1323 13.8807 13.8807 13.8826 13.8826 15.2191 15.2191 15.2269 15.2269 k = 0.1695 0.1695 0.2658 ( 3294 PWs) bands (ev): -30.2818 -30.2818 -30.2818 -30.2818 -11.4153 -11.4153 -11.3933 -11.3933 -10.1141 -10.1141 -10.0778 -10.0778 -9.8681 -9.8681 -9.8667 -9.8667 -4.2663 -4.2663 -4.2417 -4.2417 0.3924 0.3924 0.3942 0.3942 3.7756 3.7756 3.7966 3.7966 4.6188 4.6188 4.6235 4.6235 5.8649 5.8649 5.8711 5.8711 6.7673 6.7673 6.7690 6.7690 9.4104 9.4104 9.4126 9.4126 10.2840 10.2840 10.2897 10.2897 13.1938 13.1938 13.1976 13.1976 13.8440 13.8440 13.8476 13.8476 15.1514 15.1514 15.1617 15.1617 k = 0.1610 0.1610 0.2658 ( 3286 PWs) bands (ev): -30.2823 -30.2823 -30.2823 -30.2823 -11.4137 -11.4137 -11.3923 -11.3923 -10.1129 -10.1129 -10.0778 -10.0778 -9.8617 -9.8617 -9.8605 -9.8605 -4.2863 -4.2863 -4.2624 -4.2624 0.4625 0.4625 0.4641 0.4641 3.8103 3.8103 3.8289 3.8289 4.5369 4.5369 4.5428 4.5428 5.8283 5.8283 5.8333 5.8333 6.7595 6.7595 6.7615 6.7615 9.4147 9.4147 9.4172 9.4172 10.3261 10.3261 10.3319 10.3319 13.2524 13.2524 13.2546 13.2546 13.8142 13.8142 13.8199 13.8199 15.0782 15.0782 15.0903 15.0903 k = 0.1525 0.1525 0.2658 ( 3278 PWs) bands (ev): -30.2829 -30.2829 -30.2829 -30.2829 -11.4120 -11.4120 -11.3914 -11.3914 -10.1118 -10.1118 -10.0779 -10.0779 -9.8555 -9.8555 -9.8544 -9.8544 -4.3054 -4.3054 -4.2824 -4.2824 0.5328 0.5328 0.5344 0.5344 3.8415 3.8415 3.8571 3.8571 4.4605 4.4605 4.4681 4.4681 5.7922 5.7922 5.7960 5.7960 6.7430 6.7430 6.7454 6.7454 9.4294 9.4294 9.4320 9.4320 10.3682 10.3682 10.3740 10.3740 13.3013 13.3013 13.3016 13.3016 13.7924 13.7924 13.8007 13.8007 15.0012 15.0012 15.0145 15.0145 k = 0.1441 0.1441 0.2658 ( 3284 PWs) bands (ev): -30.2835 -30.2835 -30.2835 -30.2835 -11.4104 -11.4104 -11.3905 -11.3905 -10.1105 -10.1105 -10.0779 -10.0779 -9.8496 -9.8496 -9.8486 -9.8486 -4.3236 -4.3236 -4.3016 -4.3016 0.6034 0.6034 0.6048 0.6048 3.8657 3.8657 3.8777 3.8777 4.3931 4.3931 4.4032 4.4032 5.7565 5.7565 5.7590 5.7590 6.7183 6.7183 6.7213 6.7213 9.4536 9.4536 9.4564 9.4564 10.4101 10.4101 10.4158 10.4158 13.3370 13.3370 13.3388 13.3388 13.7794 13.7794 13.7906 13.7906 14.9219 14.9219 14.9360 14.9360 k = 0.1356 0.1356 0.2658 ( 3284 PWs) bands (ev): -30.2840 -30.2840 -30.2840 -30.2840 -11.4089 -11.4089 -11.3898 -11.3898 -10.1092 -10.1092 -10.0781 -10.0781 -9.8438 -9.8438 -9.8429 -9.8429 -4.3409 -4.3409 -4.3199 -4.3199 0.6740 0.6740 0.6753 0.6753 3.8776 3.8776 3.8853 3.8853 4.3404 4.3404 4.3534 4.3534 5.7212 5.7212 5.7224 5.7224 6.6865 6.6865 6.6901 6.6901 9.4865 9.4865 9.4892 9.4892 10.4516 10.4516 10.4572 10.4572 13.3605 13.3605 13.3644 13.3644 13.7751 13.7751 13.7893 13.7893 14.8415 14.8415 14.8561 14.8561 k = 0.1271 0.1271 0.2658 ( 3280 PWs) bands (ev): -30.2846 -30.2846 -30.2846 -30.2846 -11.4073 -11.4073 -11.3891 -11.3891 -10.1079 -10.1079 -10.0782 -10.0782 -9.8382 -9.8382 -9.8375 -9.8375 -4.3573 -4.3573 -4.3374 -4.3374 0.7445 0.7445 0.7456 0.7456 3.8708 3.8708 3.8742 3.8742 4.3091 4.3091 4.3249 4.3249 5.6860 5.6860 5.6861 5.6861 6.6486 6.6486 6.6530 6.6530 9.5266 9.5266 9.5293 9.5293 10.4927 10.4927 10.4980 10.4980 13.3736 13.3736 13.3793 13.3793 13.7777 13.7777 13.7945 13.7945 14.7611 14.7611 14.7761 14.7761 k = 0.1186 0.1186 0.2658 ( 3274 PWs) bands (ev): -30.2850 -30.2850 -30.2850 -30.2850 -11.4058 -11.4058 -11.3886 -11.3886 -10.1065 -10.1065 -10.0784 -10.0784 -9.8329 -9.8329 -9.8323 -9.8323 -4.3728 -4.3728 -4.3539 -4.3539 0.8146 0.8146 0.8157 0.8157 3.8419 3.8419 3.8422 3.8422 4.3025 4.3025 4.3201 4.3201 5.6498 5.6498 5.6512 5.6512 6.6057 6.6057 6.6109 6.6109 9.5727 9.5727 9.5752 9.5752 10.5330 10.5330 10.5381 10.5381 13.3790 13.3790 13.3858 13.3858 13.7844 13.7844 13.8034 13.8034 14.6813 14.6813 14.6966 14.6966 k = 0.1102 0.1102 0.2658 ( 3282 PWs) bands (ev): -30.2855 -30.2855 -30.2855 -30.2855 -11.4044 -11.4044 -11.3882 -11.3882 -10.1051 -10.1051 -10.0787 -10.0787 -9.8279 -9.8279 -9.8273 -9.8273 -4.3872 -4.3872 -4.3695 -4.3695 0.8841 0.8841 0.8851 0.8851 3.7927 3.7927 3.7941 3.7941 4.3179 4.3179 4.3358 4.3358 5.6134 5.6134 5.6162 5.6162 6.5592 6.5592 6.5652 6.5652 9.6232 9.6232 9.6256 9.6256 10.5723 10.5723 10.5771 10.5771 13.3794 13.3794 13.3869 13.3869 13.7918 13.7918 13.8124 13.8124 14.6030 14.6030 14.6184 14.6184 k = 0.1017 0.1017 0.2658 ( 3284 PWs) bands (ev): -30.2860 -30.2860 -30.2860 -30.2860 -11.4030 -11.4030 -11.3878 -11.3878 -10.1036 -10.1036 -10.0790 -10.0790 -9.8232 -9.8232 -9.8227 -9.8227 -4.4007 -4.4007 -4.3842 -4.3842 0.9528 0.9528 0.9536 0.9536 3.7319 3.7319 3.7340 3.7340 4.3490 4.3490 4.3660 4.3660 5.5768 5.5768 5.5810 5.5810 6.5102 6.5102 6.5170 6.5170 9.6769 9.6769 9.6790 9.6790 10.6105 10.6105 10.6150 10.6150 13.3777 13.3777 13.3855 13.3855 13.7974 13.7974 13.8191 13.8191 14.5264 14.5264 14.5420 14.5420 k = 0.0932 0.0932 0.2658 ( 3284 PWs) bands (ev): -30.2864 -30.2864 -30.2864 -30.2864 -11.4016 -11.4016 -11.3875 -11.3875 -10.1022 -10.1022 -10.0793 -10.0793 -9.8188 -9.8188 -9.8183 -9.8183 -4.4131 -4.4131 -4.3978 -4.3978 1.0202 1.0202 1.0210 1.0210 3.6651 3.6651 3.6674 3.6674 4.3902 4.3902 4.4058 4.4058 5.5397 5.5397 5.5451 5.5451 6.4601 6.4601 6.4676 6.4676 9.7323 9.7323 9.7341 9.7341 10.6474 10.6474 10.6515 10.6515 13.3757 13.3757 13.3835 13.3835 13.7995 13.7995 13.8217 13.8217 14.4521 14.4521 14.4676 14.4676 k = 0.0847 0.0847 0.2658 ( 3284 PWs) bands (ev): -30.2867 -30.2867 -30.2867 -30.2867 -11.4003 -11.4003 -11.3874 -11.3874 -10.1007 -10.1007 -10.0797 -10.0797 -9.8147 -9.8147 -9.8143 -9.8143 -4.4244 -4.4244 -4.4104 -4.4104 1.0860 1.0860 1.0866 1.0866 3.5960 3.5960 3.5982 3.5982 4.4379 4.4379 4.4520 4.4520 5.5018 5.5018 5.5084 5.5084 6.4100 6.4100 6.4181 6.4181 9.7880 9.7880 9.7897 9.7897 10.6825 10.6825 10.6863 10.6863 13.3748 13.3748 13.3825 13.3825 13.7971 13.7971 13.8197 13.8197 14.3803 14.3803 14.3957 14.3957 k = 0.0763 0.0763 0.2658 ( 3284 PWs) bands (ev): -30.2871 -30.2871 -30.2871 -30.2871 -11.3991 -11.3991 -11.3873 -11.3873 -10.0992 -10.0992 -10.0802 -10.0802 -9.8109 -9.8109 -9.8106 -9.8106 -4.4347 -4.4347 -4.4220 -4.4220 1.1497 1.1497 1.1502 1.1502 3.5270 3.5270 3.5290 3.5290 4.4901 4.4901 4.5024 4.5024 5.4629 5.4629 5.4704 5.4704 6.3611 6.3611 6.3696 6.3696 9.8428 9.8428 9.8443 9.8443 10.7158 10.7158 10.7192 10.7192 13.3760 13.3760 13.3833 13.3833 13.7905 13.7905 13.8129 13.8129 14.3114 14.3114 14.3265 14.3265 k = 0.0678 0.0678 0.2658 ( 3284 PWs) bands (ev): -30.2874 -30.2874 -30.2874 -30.2874 -11.3979 -11.3979 -11.3873 -11.3873 -10.0978 -10.0978 -10.0807 -10.0807 -9.8075 -9.8075 -9.8072 -9.8072 -4.4438 -4.4438 -4.4325 -4.4325 1.2105 1.2105 1.2110 1.2110 3.4598 3.4598 3.4616 3.4616 4.5453 4.5453 4.5558 4.5558 5.4226 5.4226 5.4309 5.4309 6.3145 6.3145 6.3231 6.3231 9.8956 9.8956 9.8968 9.8968 10.7468 10.7468 10.7498 10.7498 13.3796 13.3796 13.3866 13.3866 13.7800 13.7800 13.8019 13.8019 14.2458 14.2458 14.2604 14.2604 k = 0.0593 0.0593 0.2658 ( 3288 PWs) bands (ev): -30.2877 -30.2877 -30.2877 -30.2877 -11.3967 -11.3967 -11.3874 -11.3874 -10.0964 -10.0964 -10.0813 -10.0813 -9.8045 -9.8045 -9.8042 -9.8042 -4.4519 -4.4519 -4.4419 -4.4419 1.2679 1.2679 1.2682 1.2682 3.3959 3.3959 3.3976 3.3976 4.6027 4.6027 4.6114 4.6114 5.3808 5.3808 5.3895 5.3895 6.2711 6.2711 6.2797 6.2797 9.9451 9.9451 9.9461 9.9461 10.7753 10.7753 10.7779 10.7779 13.3861 13.3861 13.3927 13.3927 13.7666 13.7666 13.7877 13.7877 14.1839 14.1839 14.1979 14.1979 k = 0.0508 0.0508 0.2658 ( 3284 PWs) bands (ev): -30.2879 -30.2879 -30.2879 -30.2879 -11.3956 -11.3956 -11.3876 -11.3876 -10.0950 -10.0950 -10.0820 -10.0820 -9.8018 -9.8018 -9.8016 -9.8016 -4.4588 -4.4588 -4.4502 -4.4502 1.3209 1.3209 1.3212 1.3212 3.3368 3.3368 3.3381 3.3381 4.6616 4.6616 4.6684 4.6684 5.3370 5.3370 5.3460 5.3460 6.2320 6.2320 6.2402 6.2402 9.9903 9.9903 9.9912 9.9912 10.8009 10.8009 10.8032 10.8032 13.3953 13.3953 13.4014 13.4014 13.7514 13.7514 13.7713 13.7713 14.1263 14.1263 14.1394 14.1394 k = 0.0424 0.0424 0.2658 ( 3284 PWs) bands (ev): -30.2881 -30.2881 -30.2881 -30.2881 -11.3946 -11.3946 -11.3879 -11.3879 -10.0936 -10.0936 -10.0827 -10.0827 -9.7995 -9.7995 -9.7994 -9.7994 -4.4645 -4.4645 -4.4573 -4.4573 1.3686 1.3686 1.3688 1.3688 3.2835 3.2835 3.2847 3.2847 4.7214 4.7214 4.7264 4.7264 5.2913 5.2913 5.3001 5.3001 6.1979 6.1979 6.2053 6.2053 10.0303 10.0303 10.0310 10.0310 10.8234 10.8234 10.8252 10.8252 13.4069 13.4069 13.4125 13.4125 13.7356 13.7356 13.7538 13.7538 14.0740 14.0740 14.0860 14.0860 k = 0.0339 0.0339 0.2658 ( 3276 PWs) bands (ev): -30.2883 -30.2883 -30.2883 -30.2883 -11.3936 -11.3936 -11.3882 -11.3882 -10.0922 -10.0922 -10.0835 -10.0835 -9.7976 -9.7976 -9.7975 -9.7975 -4.4691 -4.4691 -4.4633 -4.4633 1.4099 1.4099 1.4100 1.4100 3.2375 3.2375 3.2384 3.2384 4.7816 4.7816 4.7847 4.7847 5.2437 5.2437 5.2520 5.2520 6.1694 6.1694 6.1758 6.1758 10.0643 10.0643 10.0648 10.0648 10.8423 10.8423 10.8437 10.8437 13.4202 13.4202 13.4252 13.4252 13.7202 13.7202 13.7363 13.7363 14.0282 14.0282 14.0386 14.0386 k = 0.0254 0.0254 0.2658 ( 3280 PWs) bands (ev): -30.2884 -30.2884 -30.2884 -30.2884 -11.3927 -11.3927 -11.3886 -11.3886 -10.0910 -10.0910 -10.0844 -10.0844 -9.7962 -9.7962 -9.7961 -9.7961 -4.4725 -4.4725 -4.4682 -4.4682 1.4436 1.4436 1.4436 1.4436 3.2000 3.2000 3.2007 3.2007 4.8414 4.8414 4.8427 4.8427 5.1943 5.1943 5.2019 5.2019 6.1470 6.1470 6.1521 6.1521 10.0915 10.0915 10.0919 10.0919 10.8574 10.8574 10.8585 10.8585 13.4340 13.4340 13.4383 13.4383 13.7066 13.7066 13.7199 13.7199 13.9902 13.9902 13.9987 13.9987 k = 0.0169 0.0169 0.2658 ( 3282 PWs) bands (ev): -30.2885 -30.2885 -30.2885 -30.2885 -11.3919 -11.3919 -11.3891 -11.3891 -10.0897 -10.0897 -10.0853 -10.0853 -9.7951 -9.7951 -9.7951 -9.7951 -4.4748 -4.4748 -4.4718 -4.4718 1.4686 1.4686 1.4687 1.4687 3.1722 3.1722 3.1727 3.1727 4.8993 4.8993 4.8995 4.8995 5.1443 5.1443 5.1506 5.1506 6.1311 6.1311 6.1347 6.1347 10.1113 10.1113 10.1116 10.1116 10.8684 10.8684 10.8691 10.8691 13.4467 13.4467 13.4499 13.4499 13.6960 13.6960 13.7057 13.7057 13.9619 13.9619 13.9680 13.9680 k = 0.0085 0.0085 0.2658 ( 3274 PWs) bands (ev): -30.2886 -30.2886 -30.2886 -30.2886 -11.3911 -11.3911 -11.3897 -11.3897 -10.0885 -10.0885 -10.0863 -10.0863 -9.7945 -9.7945 -9.7944 -9.7944 -4.4758 -4.4758 -4.4743 -4.4743 1.4841 1.4841 1.4841 1.4841 3.1551 3.1551 3.1554 3.1554 4.9511 4.9511 4.9525 4.9525 5.0969 5.0969 5.1014 5.1014 6.1219 6.1219 6.1237 6.1237 10.1235 10.1235 10.1236 10.1236 10.8752 10.8752 10.8756 10.8756 13.4561 13.4561 13.4579 13.4579 13.6899 13.6899 13.6950 13.6950 13.9448 13.9448 13.9480 13.9480 k = 0.0000 0.0000 0.2658 ( 3276 PWs) bands (ev): -30.2886 -30.2886 -30.2886 -30.2886 -11.3904 -11.3904 -11.3904 -11.3904 -10.0874 -10.0874 -10.0874 -10.0874 -9.7942 -9.7942 -9.7942 -9.7942 -4.4757 -4.4757 -4.4757 -4.4757 1.4893 1.4893 1.4893 1.4893 3.1495 3.1495 3.1495 3.1495 4.9806 4.9806 4.9806 4.9806 5.0718 5.0718 5.0718 5.0718 6.1194 6.1194 6.1194 6.1194 10.1276 10.1276 10.1276 10.1276 10.8776 10.8776 10.8776 10.8776 13.4602 13.4602 13.4602 13.4602 13.6895 13.6895 13.6895 13.6895 13.9401 13.9401 13.9401 13.9401 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -30.2904 -30.2904 -30.2599 -30.2599 -11.5027 -11.5027 -11.3812 -11.3812 -10.2355 -10.2355 -10.0765 -10.0765 -9.8428 -9.8428 -9.8398 -9.8398 -4.2729 -4.2729 -3.5886 -3.5886 -1.6918 -1.6918 1.8037 1.8037 2.2707 2.2707 3.7056 3.7056 5.5216 5.5216 5.9717 5.9717 6.0169 6.0169 6.6600 6.6600 6.7585 6.7585 7.9357 7.9357 8.0098 8.0098 8.2594 8.2594 8.8145 8.8145 11.1473 11.1473 12.2742 12.2742 12.3210 12.3210 15.4715 15.4715 15.7452 15.7452 16.0258 16.0258 16.2199 16.2199 k = 0.0000 0.5000 0.0116 ( 3248 PWs) bands (ev): -30.2904 -30.2904 -30.2599 -30.2599 -11.5025 -11.5025 -11.3812 -11.3812 -10.2353 -10.2353 -10.0765 -10.0765 -9.8431 -9.8431 -9.8399 -9.8399 -4.2729 -4.2729 -3.5884 -3.5884 -1.6918 -1.6918 1.8037 1.8037 2.2703 2.2703 3.7056 3.7056 5.5220 5.5220 5.9666 5.9666 6.0221 6.0221 6.6592 6.6592 6.7607 6.7607 7.9355 7.9355 8.0089 8.0089 8.2590 8.2590 8.8152 8.8152 11.1412 11.1412 12.2769 12.2769 12.3256 12.3256 15.4745 15.4745 15.7436 15.7436 16.0247 16.0247 16.1822 16.1822 k = 0.0000 0.5000 0.0231 ( 3240 PWs) bands (ev): -30.2903 -30.2903 -30.2600 -30.2600 -11.5019 -11.5019 -11.3814 -11.3814 -10.2349 -10.2349 -10.0766 -10.0766 -9.8438 -9.8438 -9.8403 -9.8403 -4.2727 -4.2727 -3.5878 -3.5878 -1.6918 -1.6918 1.8035 1.8035 2.2692 2.2692 3.7057 3.7057 5.5231 5.5231 5.9552 5.9552 6.0338 6.0338 6.6571 6.6571 6.7673 6.7673 7.9348 7.9348 8.0065 8.0065 8.2579 8.2579 8.8172 8.8172 11.1232 11.1232 12.2849 12.2849 12.3389 12.3389 15.4835 15.4835 15.7388 15.7388 16.0215 16.0215 16.0789 16.0789 k = 0.0000 0.5000 0.0347 ( 3236 PWs) bands (ev): -30.2901 -30.2901 -30.2602 -30.2602 -11.5009 -11.5009 -11.3818 -11.3818 -10.2341 -10.2341 -10.0769 -10.0769 -9.8450 -9.8450 -9.8408 -9.8408 -4.2724 -4.2724 -3.5869 -3.5869 -1.6919 -1.6919 1.8032 1.8032 2.2673 2.2673 3.7058 3.7058 5.5250 5.5250 5.9417 5.9417 6.0478 6.0478 6.6543 6.6543 6.7775 6.7775 7.9338 7.9338 8.0024 8.0024 8.2561 8.2561 8.8207 8.8207 11.0941 11.0941 12.2983 12.2983 12.3604 12.3604 15.4984 15.4984 15.7312 15.7312 15.9608 15.9608 16.0162 16.0162 k = 0.0000 0.5000 0.0462 ( 3224 PWs) bands (ev): -30.2899 -30.2899 -30.2604 -30.2604 -11.4995 -11.4995 -11.3823 -11.3823 -10.2330 -10.2330 -10.0772 -10.0772 -9.8466 -9.8466 -9.8416 -9.8416 -4.2720 -4.2720 -3.5856 -3.5856 -1.6919 -1.6919 1.8029 1.8029 2.2647 2.2647 3.7059 3.7059 5.5275 5.5275 5.9276 5.9276 6.0627 6.0627 6.6511 6.6511 6.7909 6.7909 7.9323 7.9323 7.9969 7.9969 8.2536 8.2536 8.8256 8.8256 11.0553 11.0553 12.3169 12.3169 12.3889 12.3889 15.5191 15.5191 15.7212 15.7212 15.8382 15.8382 16.0083 16.0083 k = 0.0000 0.5000 0.0578 ( 3228 PWs) bands (ev): -30.2896 -30.2896 -30.2608 -30.2608 -11.4977 -11.4977 -11.3829 -11.3829 -10.2316 -10.2316 -10.0777 -10.0777 -9.8486 -9.8486 -9.8426 -9.8426 -4.2716 -4.2716 -3.5840 -3.5840 -1.6920 -1.6920 1.8024 1.8024 2.2615 2.2615 3.7061 3.7061 5.5308 5.5308 5.9134 5.9134 6.0779 6.0779 6.6479 6.6479 6.8068 6.8068 7.9304 7.9304 7.9899 7.9899 8.2504 8.2504 8.8319 8.8319 11.0081 11.0081 12.3406 12.3406 12.4235 12.4235 15.5453 15.5453 15.7087 15.7087 15.7148 15.7148 15.9962 15.9962 k = 0.0000 0.5000 0.0693 ( 3228 PWs) bands (ev): -30.2892 -30.2892 -30.2611 -30.2611 -11.4956 -11.4956 -11.3837 -11.3837 -10.2299 -10.2299 -10.0783 -10.0783 -9.8509 -9.8509 -9.8438 -9.8438 -4.2710 -4.2710 -3.5822 -3.5822 -1.6921 -1.6921 1.8019 1.8019 2.2577 2.2577 3.7063 3.7063 5.5346 5.5346 5.8994 5.8994 6.0930 6.0930 6.6451 6.6451 6.8248 6.8248 7.9282 7.9282 7.9818 7.9818 8.2467 8.2467 8.8396 8.8396 10.9539 10.9539 12.3695 12.3695 12.4631 12.4631 15.5690 15.5690 15.5977 15.5977 15.6959 15.6959 15.9125 15.9125 k = 0.0000 0.5000 0.0809 ( 3242 PWs) bands (ev): -30.2887 -30.2887 -30.2616 -30.2616 -11.4932 -11.4932 -11.3846 -11.3846 -10.2280 -10.2280 -10.0790 -10.0790 -9.8536 -9.8536 -9.8452 -9.8452 -4.2704 -4.2704 -3.5801 -3.5801 -1.6923 -1.6923 1.8013 1.8013 2.2534 2.2534 3.7065 3.7065 5.5390 5.5390 5.8857 5.8857 6.1080 6.1080 6.6427 6.6427 6.8445 6.8445 7.9255 7.9255 7.9725 7.9725 8.2425 8.2425 8.8488 8.8488 10.8941 10.8941 12.4033 12.4033 12.5066 12.5066 15.4618 15.4618 15.6175 15.6175 15.6815 15.6815 15.8035 15.8035 k = 0.0000 0.5000 0.0924 ( 3250 PWs) bands (ev): -30.2882 -30.2882 -30.2621 -30.2621 -11.4904 -11.4904 -11.3857 -11.3857 -10.2257 -10.2257 -10.0800 -10.0800 -9.8564 -9.8564 -9.8467 -9.8467 -4.2698 -4.2698 -3.5777 -3.5777 -1.6925 -1.6925 1.8006 1.8006 2.2486 2.2486 3.7067 3.7067 5.5439 5.5439 5.8725 5.8725 6.1226 6.1226 6.6407 6.6407 6.8657 6.8657 7.9224 7.9224 7.9625 7.9625 8.2379 8.2379 8.8595 8.8595 10.8299 10.8299 12.4419 12.4419 12.5536 12.5536 15.3379 15.3379 15.6584 15.6584 15.6634 15.6634 15.6944 15.6944 k = 0.0000 0.5000 0.1040 ( 3248 PWs) bands (ev): -30.2877 -30.2877 -30.2627 -30.2627 -11.4874 -11.4874 -11.3869 -11.3869 -10.2231 -10.2231 -10.0812 -10.0812 -9.8594 -9.8594 -9.8484 -9.8484 -4.2690 -4.2690 -3.5752 -3.5752 -1.6926 -1.6926 1.7999 1.7999 2.2435 2.2435 3.7070 3.7070 5.5492 5.5492 5.8598 5.8598 6.1368 6.1368 6.6392 6.6392 6.8880 6.8880 7.9188 7.9188 7.9520 7.9520 8.2330 8.2330 8.8717 8.8717 10.7626 10.7626 12.4853 12.4853 12.6032 12.6032 15.2144 15.2144 15.5694 15.5694 15.6547 15.6547 15.7092 15.7092 k = 0.0000 0.5000 0.1156 ( 3254 PWs) bands (ev): -30.2871 -30.2871 -30.2633 -30.2633 -11.4841 -11.4841 -11.3883 -11.3883 -10.2202 -10.2202 -10.0826 -10.0826 -9.8625 -9.8625 -9.8503 -9.8503 -4.2683 -4.2683 -3.5726 -3.5726 -1.6928 -1.6928 1.7991 1.7991 2.2382 2.2382 3.7073 3.7073 5.5548 5.5548 5.8478 5.8478 6.1505 6.1505 6.6381 6.6381 6.9110 6.9110 7.9145 7.9145 7.9415 7.9415 8.2279 8.2279 8.8854 8.8854 10.6930 10.6930 12.5331 12.5331 12.6550 12.6550 15.0918 15.0918 15.4530 15.4530 15.6406 15.6406 15.7617 15.7617 k = 0.0000 0.5000 0.1271 ( 3250 PWs) bands (ev): -30.2864 -30.2864 -30.2640 -30.2640 -11.4806 -11.4806 -11.3899 -11.3899 -10.2171 -10.2171 -10.0844 -10.0844 -9.8655 -9.8655 -9.8522 -9.8522 -4.2675 -4.2675 -3.5699 -3.5699 -1.6929 -1.6929 1.7984 1.7984 2.2328 2.2328 3.7076 3.7076 5.5605 5.5605 5.8364 5.8364 6.1636 6.1636 6.6373 6.6373 6.9345 6.9345 7.9090 7.9090 7.9318 7.9318 8.2226 8.2226 8.9006 8.9006 10.6222 10.6222 12.5852 12.5852 12.7087 12.7087 14.9705 14.9705 15.3367 15.3367 15.6277 15.6277 15.8192 15.8192 k = 0.0000 0.5000 0.1387 ( 3258 PWs) bands (ev): -30.2856 -30.2856 -30.2648 -30.2648 -11.4769 -11.4769 -11.3916 -11.3916 -10.2137 -10.2137 -10.0864 -10.0864 -9.8685 -9.8685 -9.8542 -9.8542 -4.2667 -4.2667 -3.5671 -3.5671 -1.6931 -1.6931 1.7976 1.7976 2.2273 2.2273 3.7079 3.7079 5.5664 5.5664 5.8257 5.8257 6.1760 6.1760 6.6369 6.6369 6.9581 6.9581 7.9017 7.9017 7.9236 7.9236 8.2174 8.2174 8.9171 8.9171 10.5511 10.5511 12.6413 12.6413 12.7638 12.7638 14.8507 14.8507 15.2219 15.2219 15.6160 15.6160 15.8673 15.8673 k = 0.0000 0.5000 0.1502 ( 3248 PWs) bands (ev): -30.2849 -30.2849 -30.2655 -30.2655 -11.4730 -11.4730 -11.3934 -11.3934 -10.2100 -10.2100 -10.0887 -10.0887 -9.8713 -9.8713 -9.8563 -9.8563 -4.2659 -4.2659 -3.5644 -3.5644 -1.6933 -1.6933 1.7968 1.7968 2.2219 2.2219 3.7082 3.7082 5.5723 5.5723 5.8158 5.8158 6.1877 6.1877 6.6368 6.6368 6.9814 6.9814 7.8925 7.8925 7.9175 7.9175 8.2122 8.2122 8.9350 8.9350 10.4806 10.4806 12.7013 12.7013 12.8199 12.8199 14.7327 14.7327 15.1097 15.1097 15.6058 15.6058 15.8448 15.8448 k = 0.0000 0.5000 0.1618 ( 3248 PWs) bands (ev): -30.2840 -30.2840 -30.2664 -30.2664 -11.4691 -11.4691 -11.3955 -11.3955 -10.2062 -10.2062 -10.0912 -10.0912 -9.8738 -9.8738 -9.8585 -9.8585 -4.2651 -4.2651 -3.5618 -3.5618 -1.6934 -1.6934 1.7960 1.7960 2.2166 2.2166 3.7085 3.7085 5.5781 5.5781 5.8067 5.8067 6.1985 6.1985 6.6369 6.6369 7.0040 7.0040 7.8823 7.8823 7.9128 7.9128 8.2072 8.2072 8.9541 8.9541 10.4116 10.4116 12.7647 12.7647 12.8766 12.8766 14.6169 14.6169 15.0008 15.0008 15.5972 15.5972 15.8215 15.8215 k = 0.0000 0.5000 0.1733 ( 3252 PWs) bands (ev): -30.2832 -30.2832 -30.2673 -30.2673 -11.4651 -11.4651 -11.3976 -11.3976 -10.2023 -10.2023 -10.0941 -10.0941 -9.8761 -9.8761 -9.8606 -9.8606 -4.2644 -4.2644 -3.5593 -3.5593 -1.6936 -1.6936 1.7953 1.7953 2.2116 2.2116 3.7087 3.7087 5.5836 5.5836 5.7984 5.7984 6.2083 6.2083 6.6371 6.6371 7.0255 7.0255 7.8718 7.8718 7.9090 7.9090 8.2025 8.2025 8.9740 8.9740 10.3450 10.3450 12.8313 12.8313 12.9335 12.9335 14.5035 14.5035 14.8963 14.8963 15.5903 15.5903 15.7985 15.7985 k = 0.0000 0.5000 0.1849 ( 3260 PWs) bands (ev): -30.2823 -30.2823 -30.2682 -30.2682 -11.4611 -11.4611 -11.3999 -11.3999 -10.1983 -10.1983 -10.0972 -10.0972 -9.8781 -9.8781 -9.8627 -9.8627 -4.2637 -4.2637 -3.5569 -3.5569 -1.6938 -1.6938 1.7946 1.7946 2.2070 2.2070 3.7090 3.7090 5.5888 5.5888 5.7910 5.7910 6.2172 6.2172 6.6374 6.6374 7.0456 7.0456 7.8618 7.8618 7.9057 7.9057 8.1981 8.1981 8.9944 8.9944 10.2818 10.2818 12.9004 12.9004 12.9896 12.9896 14.3931 14.3931 14.7972 14.7972 15.5851 15.5851 15.7763 15.7763 k = 0.0000 0.5000 0.1965 ( 3256 PWs) bands (ev): -30.2813 -30.2813 -30.2691 -30.2691 -11.4571 -11.4571 -11.4023 -11.4023 -10.1942 -10.1942 -10.1004 -10.1004 -9.8797 -9.8797 -9.8647 -9.8647 -4.2631 -4.2631 -3.5548 -3.5548 -1.6939 -1.6939 1.7940 1.7940 2.2028 2.2028 3.7092 3.7092 5.5936 5.5936 5.7846 5.7846 6.2251 6.2251 6.6378 6.6378 7.0640 7.0640 7.8524 7.8524 7.9030 7.9030 8.1941 8.1941 9.0148 9.0148 10.2231 10.2231 12.9713 12.9713 13.0443 13.0443 14.2864 14.2864 14.7048 14.7048 15.5817 15.5817 15.7552 15.7552 k = 0.0000 0.5000 0.2080 ( 3254 PWs) bands (ev): -30.2803 -30.2803 -30.2701 -30.2701 -11.4533 -11.4533 -11.4047 -11.4047 -10.1903 -10.1903 -10.1036 -10.1036 -9.8810 -9.8810 -9.8665 -9.8665 -4.2625 -4.2625 -3.5529 -3.5529 -1.6940 -1.6940 1.7935 1.7935 2.1991 2.1991 3.7094 3.7094 5.5978 5.5978 5.7791 5.7791 6.2318 6.2318 6.6381 6.6381 7.0801 7.0801 7.8441 7.8441 7.9006 7.9006 8.1906 8.1906 9.0345 9.0345 10.1700 10.1700 13.0431 13.0431 13.0960 13.0960 14.1844 14.1844 14.6206 14.6206 15.5799 15.5799 15.7357 15.7357 k = 0.0000 0.5000 0.2196 ( 3266 PWs) bands (ev): -30.2794 -30.2794 -30.2711 -30.2711 -11.4498 -11.4498 -11.4071 -11.4071 -10.1867 -10.1867 -10.1067 -10.1067 -9.8820 -9.8820 -9.8682 -9.8682 -4.2621 -4.2621 -3.5514 -3.5514 -1.6941 -1.6941 1.7931 1.7931 2.1960 2.1960 3.7096 3.7096 5.6013 5.6013 5.7745 5.7745 6.2374 6.2374 6.6385 6.6385 7.0938 7.0938 7.8371 7.8371 7.8986 7.8986 8.1877 8.1877 9.0528 9.0528 10.1239 10.1239 13.1140 13.1140 13.1434 13.1434 14.0888 14.0888 14.5465 14.5465 15.5796 15.5796 15.7182 15.7182 k = 0.0000 0.5000 0.2311 ( 3266 PWs) bands (ev): -30.2783 -30.2783 -30.2721 -30.2721 -11.4466 -11.4466 -11.4094 -11.4094 -10.1835 -10.1835 -10.1095 -10.1095 -9.8827 -9.8827 -9.8696 -9.8696 -4.2617 -4.2617 -3.5501 -3.5501 -1.6942 -1.6942 1.7927 1.7927 2.1935 2.1935 3.7097 3.7097 5.6042 5.6042 5.7710 5.7710 6.2418 6.2418 6.6388 6.6388 7.1047 7.1047 7.8314 7.8314 7.8971 7.8971 8.1854 8.1854 9.0686 9.0686 10.0860 10.0860 13.1801 13.1801 13.1853 13.1853 14.0023 14.0023 14.4847 14.4847 15.5804 15.5804 15.7033 15.7033 k = 0.0000 0.5000 0.2427 ( 3266 PWs) bands (ev): -30.2773 -30.2773 -30.2731 -30.2731 -11.4440 -11.4440 -11.4113 -11.4113 -10.1809 -10.1809 -10.1117 -10.1117 -9.8831 -9.8831 -9.8707 -9.8707 -4.2614 -4.2614 -3.5492 -3.5492 -1.6942 -1.6942 1.7924 1.7924 2.1917 2.1917 3.7098 3.7098 5.6063 5.6063 5.7684 5.7684 6.2449 6.2449 6.6391 6.6391 7.1127 7.1127 7.8272 7.8272 7.8960 7.8960 8.1837 8.1837 9.0808 9.0808 10.0577 10.0577 13.2153 13.2153 13.2406 13.2406 13.9298 13.9298 14.4378 14.4378 15.5819 15.5819 15.6917 15.6917 k = 0.0000 0.5000 0.2542 ( 3268 PWs) bands (ev): -30.2763 -30.2763 -30.2742 -30.2742 -11.4423 -11.4423 -11.4126 -11.4126 -10.1793 -10.1793 -10.1132 -10.1132 -9.8833 -9.8833 -9.8714 -9.8714 -4.2613 -4.2613 -3.5486 -3.5486 -1.6943 -1.6943 1.7923 1.7923 2.1906 2.1906 3.7099 3.7099 5.6076 5.6076 5.7669 5.7669 6.2468 6.2468 6.6392 6.6392 7.1176 7.1176 7.8247 7.8247 7.8953 7.8953 8.1826 8.1826 9.0887 9.0887 10.0402 10.0402 13.2357 13.2357 13.2828 13.2828 13.8792 13.8792 14.4084 14.4084 15.5832 15.5832 15.6843 15.6843 k = 0.0000 0.5000 0.2658 ( 3264 PWs) bands (ev): -30.2754 -30.2754 -30.2751 -30.2751 -11.4416 -11.4416 -11.4131 -11.4131 -10.1787 -10.1787 -10.1137 -10.1137 -9.8834 -9.8834 -9.8716 -9.8716 -4.2612 -4.2612 -3.5484 -3.5484 -1.6943 -1.6943 1.7922 1.7922 2.1903 2.1903 3.7099 3.7099 5.6080 5.6080 5.7664 5.7664 6.2474 6.2474 6.6393 6.6393 7.1192 7.1192 7.8239 7.8239 7.8951 7.8951 8.1823 8.1823 9.0914 9.0914 10.0343 10.0343 13.2428 13.2428 13.2987 13.2987 13.8606 13.8606 14.3984 14.3984 15.5837 15.5837 15.6817 15.6817 k = 0.5000 0.5000-0.0000 ( 3284 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4996 -11.4996 -11.4341 -11.4341 -10.1955 -10.1955 -10.1417 -10.1417 -9.9743 -9.9743 -9.9396 -9.9396 -3.4485 -3.4485 -3.4058 -3.4058 -1.5415 -1.5415 -1.1804 -1.1804 3.3644 3.3644 3.4056 3.4056 3.7675 3.7675 5.1402 5.1402 7.3805 7.3805 7.3829 7.3829 7.4052 7.4052 7.4480 7.4480 7.5521 7.5521 10.7341 10.7341 10.7993 10.7993 10.8592 10.8592 12.9688 12.9688 12.9689 12.9689 13.3399 13.3399 15.1020 15.1020 15.5067 15.5067 17.0720 17.0720 k = 0.5000 0.5000 0.0116 ( 3276 PWs) bands (ev): -30.2771 -30.2771 -30.2473 -30.2473 -11.4995 -11.4995 -11.4341 -11.4341 -10.1954 -10.1954 -10.1414 -10.1414 -9.9745 -9.9745 -9.9400 -9.9400 -3.4484 -3.4484 -3.4058 -3.4058 -1.5411 -1.5411 -1.1809 -1.1809 3.3643 3.3643 3.4054 3.4054 3.7690 3.7690 5.1385 5.1385 7.3805 7.3805 7.3829 7.3829 7.4053 7.4053 7.4480 7.4480 7.5545 7.5545 10.7253 10.7253 10.7992 10.7992 10.8590 10.8590 12.9688 12.9688 12.9689 12.9689 13.3499 13.3499 15.1035 15.1035 15.5072 15.5072 17.0672 17.0672 k = 0.5000 0.5000 0.0231 ( 3264 PWs) bands (ev): -30.2770 -30.2770 -30.2474 -30.2474 -11.4991 -11.4991 -11.4342 -11.4342 -10.1948 -10.1948 -10.1407 -10.1407 -9.9752 -9.9752 -9.9410 -9.9410 -3.4481 -3.4481 -3.4058 -3.4058 -1.5400 -1.5400 -1.1822 -1.1822 3.3642 3.3642 3.4050 3.4050 3.7737 3.7737 5.1335 5.1335 7.3805 7.3805 7.3829 7.3829 7.4057 7.4057 7.4481 7.4481 7.5616 7.5616 10.6991 10.6991 10.7989 10.7989 10.8583 10.8583 12.9689 12.9689 12.9689 12.9689 13.3796 13.3796 15.1079 15.1079 15.5088 15.5088 17.0529 17.0529 k = 0.5000 0.5000 0.0347 ( 3264 PWs) bands (ev): -30.2768 -30.2768 -30.2475 -30.2475 -11.4984 -11.4984 -11.4344 -11.4344 -10.1940 -10.1940 -10.1396 -10.1396 -9.9765 -9.9765 -9.9426 -9.9426 -3.4477 -3.4477 -3.4058 -3.4058 -1.5381 -1.5381 -1.1845 -1.1845 3.3638 3.3638 3.4042 3.4042 3.7815 3.7815 5.1253 5.1253 7.3805 7.3805 7.3828 7.3828 7.4063 7.4063 7.4481 7.4481 7.5734 7.5734 10.6569 10.6569 10.7985 10.7985 10.8571 10.8571 12.9689 12.9689 12.9689 12.9689 13.4276 13.4276 15.1153 15.1153 15.5113 15.5113 17.0302 17.0302 k = 0.5000 0.5000 0.0462 ( 3264 PWs) bands (ev): -30.2766 -30.2766 -30.2478 -30.2478 -11.4975 -11.4975 -11.4346 -11.4346 -10.1928 -10.1928 -10.1380 -10.1380 -9.9782 -9.9782 -9.9449 -9.9449 -3.4470 -3.4470 -3.4059 -3.4059 -1.5354 -1.5354 -1.1878 -1.1878 3.3634 3.3634 3.4031 3.4031 3.7923 3.7923 5.1138 5.1138 7.3805 7.3805 7.3826 7.3826 7.4072 7.4072 7.4482 7.4482 7.5899 7.5899 10.6004 10.6004 10.7979 10.7979 10.8555 10.8555 12.9690 12.9690 12.9690 12.9690 13.4924 13.4924 15.1256 15.1256 15.5149 15.5149 17.0004 17.0004 k = 0.5000 0.5000 0.0578 ( 3272 PWs) bands (ev): -30.2763 -30.2763 -30.2481 -30.2481 -11.4964 -11.4964 -11.4348 -11.4348 -10.1912 -10.1912 -10.1360 -10.1360 -9.9804 -9.9804 -9.9478 -9.9478 -3.4462 -3.4462 -3.4060 -3.4060 -1.5320 -1.5320 -1.1919 -1.1919 3.3628 3.3628 3.4017 3.4017 3.8061 3.8061 5.0991 5.0991 7.3805 7.3805 7.3825 7.3825 7.4083 7.4083 7.4483 7.4483 7.6110 7.6110 10.5315 10.5315 10.7971 10.7971 10.8535 10.8535 12.9690 12.9690 12.9690 12.9690 13.5719 13.5719 15.1388 15.1388 15.5195 15.5195 16.9648 16.9648 k = 0.5000 0.5000 0.0693 ( 3272 PWs) bands (ev): -30.2759 -30.2759 -30.2485 -30.2485 -11.4950 -11.4950 -11.4352 -11.4352 -10.1893 -10.1893 -10.1335 -10.1335 -9.9832 -9.9832 -9.9513 -9.9513 -3.4452 -3.4452 -3.4060 -3.4060 -1.5279 -1.5279 -1.1968 -1.1968 3.3622 3.3622 3.4001 3.4001 3.8229 3.8229 5.0813 5.0813 7.3805 7.3805 7.3823 7.3823 7.4096 7.4096 7.4483 7.4483 7.6367 7.6367 10.4524 10.4524 10.7963 10.7963 10.8512 10.8512 12.9691 12.9691 12.9691 12.9691 13.6639 13.6639 15.1548 15.1548 15.5252 15.5252 16.9250 16.9250 k = 0.5000 0.5000 0.0809 ( 3256 PWs) bands (ev): -30.2754 -30.2754 -30.2489 -30.2489 -11.4935 -11.4935 -11.4355 -11.4355 -10.1870 -10.1870 -10.1307 -10.1307 -9.9864 -9.9864 -9.9553 -9.9553 -3.4440 -3.4440 -3.4061 -3.4061 -1.5230 -1.5230 -1.2026 -1.2026 3.3615 3.3615 3.3982 3.3982 3.8425 3.8425 5.0605 5.0605 7.3805 7.3805 7.3822 7.3822 7.4110 7.4110 7.4485 7.4485 7.6671 7.6671 10.3650 10.3650 10.7953 10.7953 10.8484 10.8484 12.9691 12.9691 12.9692 12.9692 13.7665 13.7665 15.1735 15.1735 15.5318 15.5318 16.8822 16.8822 k = 0.5000 0.5000 0.0924 ( 3256 PWs) bands (ev): -30.2749 -30.2749 -30.2494 -30.2494 -11.4917 -11.4917 -11.4360 -11.4360 -10.1843 -10.1843 -10.1274 -10.1274 -9.9902 -9.9902 -9.9597 -9.9597 -3.4428 -3.4428 -3.4063 -3.4063 -1.5175 -1.5175 -1.2092 -1.2092 3.3608 3.3608 3.3961 3.3961 3.8649 3.8649 5.0368 5.0368 7.3805 7.3805 7.3820 7.3820 7.4127 7.4127 7.4485 7.4485 7.7020 7.7020 10.2710 10.2710 10.7943 10.7943 10.8454 10.8454 12.9692 12.9692 12.9692 12.9692 13.8780 13.8780 15.1950 15.1950 15.5394 15.5394 16.8375 16.8375 k = 0.5000 0.5000 0.1040 ( 3256 PWs) bands (ev): -30.2744 -30.2744 -30.2500 -30.2500 -11.4898 -11.4898 -11.4366 -11.4366 -10.1812 -10.1812 -10.1238 -10.1238 -9.9945 -9.9945 -9.9645 -9.9645 -3.4413 -3.4413 -3.4064 -3.4064 -1.5112 -1.5112 -1.2165 -1.2165 3.3600 3.3600 3.3938 3.3938 3.8900 3.8900 5.0104 5.0104 7.3805 7.3805 7.3818 7.3818 7.4144 7.4144 7.4486 7.4486 7.7413 7.7413 10.1720 10.1720 10.7932 10.7932 10.8421 10.8421 12.9693 12.9693 12.9693 12.9693 13.9967 13.9967 15.2190 15.2190 15.5479 15.5479 16.7918 16.7918 k = 0.5000 0.5000 0.1156 ( 3264 PWs) bands (ev): -30.2738 -30.2738 -30.2506 -30.2506 -11.4877 -11.4877 -11.4372 -11.4372 -10.1777 -10.1777 -10.1199 -10.1199 -9.9994 -9.9994 -9.9697 -9.9697 -3.4398 -3.4398 -3.4067 -3.4067 -1.5043 -1.5043 -1.2246 -1.2246 3.3593 3.3593 3.3914 3.3914 3.9176 3.9176 4.9812 4.9812 7.3805 7.3805 7.3816 7.3816 7.4163 7.4163 7.4486 7.4486 7.7850 7.7850 10.0692 10.0692 10.7922 10.7922 10.8385 10.8385 12.9694 12.9694 12.9694 12.9694 14.1215 14.1215 15.2454 15.2454 15.5573 15.5573 16.7459 16.7459 k = 0.5000 0.5000 0.1271 ( 3256 PWs) bands (ev): -30.2731 -30.2731 -30.2513 -30.2513 -11.4854 -11.4854 -11.4380 -11.4380 -10.1738 -10.1738 -10.1156 -10.1156 -10.0048 -10.0048 -9.9751 -9.9751 -3.4382 -3.4382 -3.4070 -3.4070 -1.4968 -1.4968 -1.2333 -1.2333 3.3586 3.3586 3.3888 3.3888 3.9477 3.9477 4.9496 4.9496 7.3805 7.3805 7.3815 7.3815 7.4182 7.4182 7.4485 7.4485 7.8331 7.8331 9.9637 9.9637 10.7912 10.7912 10.8349 10.8349 12.9695 12.9695 12.9695 12.9695 14.2511 14.2511 15.2741 15.2741 15.5674 15.5674 16.7005 16.7005 k = 0.5000 0.5000 0.1387 ( 3256 PWs) bands (ev): -30.2724 -30.2724 -30.2520 -30.2520 -11.4831 -11.4831 -11.4388 -11.4388 -10.1694 -10.1694 -10.1111 -10.1111 -10.0107 -10.0107 -9.9807 -9.9807 -3.4365 -3.4365 -3.4074 -3.4074 -1.4886 -1.4886 -1.2426 -1.2426 3.3579 3.3579 3.3862 3.3862 3.9801 3.9801 4.9157 4.9157 7.3804 7.3804 7.3814 7.3814 7.4202 7.4202 7.4484 7.4484 7.8854 7.8854 9.8565 9.8565 10.7903 10.7903 10.8310 10.8310 12.9695 12.9695 12.9696 12.9696 14.3846 14.3846 15.3048 15.3048 15.5782 15.5782 16.6563 16.6563 k = 0.5000 0.5000 0.1502 ( 3248 PWs) bands (ev): -30.2716 -30.2716 -30.2528 -30.2528 -11.4806 -11.4806 -11.4397 -11.4397 -10.1647 -10.1647 -10.1063 -10.1063 -10.0171 -10.0171 -9.9865 -9.9865 -3.4347 -3.4347 -3.4078 -3.4078 -1.4799 -1.4799 -1.2525 -1.2525 3.3574 3.3574 3.3835 3.3835 4.0147 4.0147 4.8796 4.8796 7.3804 7.3804 7.3812 7.3812 7.4222 7.4222 7.4483 7.4483 7.9419 7.9419 9.7482 9.7482 10.7895 10.7895 10.8272 10.8272 12.9697 12.9697 12.9697 12.9697 14.5212 14.5212 15.3373 15.3373 15.5895 15.5895 16.6138 16.6138 k = 0.5000 0.5000 0.1618 ( 3256 PWs) bands (ev): -30.2708 -30.2708 -30.2536 -30.2536 -11.4781 -11.4781 -11.4408 -11.4408 -10.1595 -10.1595 -10.1012 -10.1012 -10.0240 -10.0240 -9.9924 -9.9924 -3.4330 -3.4330 -3.4083 -3.4083 -1.4707 -1.4707 -1.2629 -1.2629 3.3569 3.3569 3.3808 3.3808 4.0513 4.0513 4.8415 4.8415 7.3804 7.3804 7.3811 7.3811 7.4243 7.4243 7.4480 7.4480 8.0025 8.0025 9.6395 9.6395 10.7889 10.7889 10.8232 10.8232 12.9697 12.9697 12.9698 12.9698 14.6603 14.6603 15.3711 15.3711 15.6010 15.6010 16.5734 16.5735 k = 0.5000 0.5000 0.1733 ( 3252 PWs) bands (ev): -30.2699 -30.2699 -30.2544 -30.2544 -11.4755 -11.4755 -11.4420 -11.4420 -10.1539 -10.1539 -10.0959 -10.0959 -10.0313 -10.0313 -9.9984 -9.9984 -3.4311 -3.4311 -3.4089 -3.4089 -1.4609 -1.4609 -1.2738 -1.2738 3.3566 3.3566 3.3781 3.3781 4.0898 4.0898 4.8016 4.8016 7.3804 7.3804 7.3810 7.3810 7.4263 7.4263 7.4477 7.4477 8.0671 8.0671 9.5310 9.5310 10.7884 10.7884 10.8194 10.8194 12.9698 12.9698 12.9698 12.9698 14.8012 14.8012 15.4061 15.4061 15.6125 15.6125 16.5360 16.5360 k = 0.5000 0.5000 0.1849 ( 3240 PWs) bands (ev): -30.2690 -30.2690 -30.2553 -30.2553 -11.4730 -11.4730 -11.4432 -11.4432 -10.1480 -10.1480 -10.0904 -10.0904 -10.0390 -10.0390 -10.0045 -10.0045 -3.4293 -3.4293 -3.4096 -3.4096 -1.4506 -1.4506 -1.2850 -1.2850 3.3564 3.3564 3.3755 3.3755 4.1299 4.1299 4.7601 4.7601 7.3804 7.3804 7.3809 7.3809 7.4284 7.4284 7.4472 7.4472 8.1355 8.1355 9.4231 9.4231 10.7882 10.7882 10.8156 10.8156 12.9699 12.9699 12.9699 12.9699 14.9436 14.9436 15.4415 15.4415 15.6237 15.6237 16.5020 16.5020 k = 0.5000 0.5000 0.1965 ( 3240 PWs) bands (ev): -30.2681 -30.2681 -30.2563 -30.2563 -11.4704 -11.4704 -11.4447 -11.4447 -10.1416 -10.1416 -10.0848 -10.0848 -10.0469 -10.0469 -10.0106 -10.0106 -3.4274 -3.4274 -3.4104 -3.4104 -1.4400 -1.4400 -1.2966 -1.2966 3.3564 3.3564 3.3729 3.3729 4.1716 4.1716 4.7173 4.7173 7.3804 7.3804 7.3808 7.3808 7.4304 7.4304 7.4467 7.4467 8.2077 8.2077 9.3162 9.3162 10.7882 10.7882 10.8119 10.8119 12.9700 12.9700 12.9700 12.9700 15.0868 15.0868 15.4768 15.4768 15.6341 15.6341 16.4720 16.4720 k = 0.5000 0.5000 0.2080 ( 3240 PWs) bands (ev): -30.2672 -30.2672 -30.2572 -30.2572 -11.4678 -11.4678 -11.4462 -11.4462 -10.1349 -10.1349 -10.0789 -10.0789 -10.0551 -10.0551 -10.0169 -10.0169 -3.4256 -3.4256 -3.4113 -3.4113 -1.4289 -1.4289 -1.3084 -1.3084 3.3566 3.3566 3.3705 3.3705 4.2146 4.2146 4.6732 4.6732 7.3805 7.3805 7.3808 7.3808 7.4323 7.4323 7.4460 7.4460 8.2835 8.2835 9.2106 9.2106 10.7885 10.7885 10.8084 10.8084 12.9700 12.9700 12.9701 12.9701 15.2305 15.2305 15.5111 15.5111 15.6432 15.6432 16.4464 16.4464 k = 0.5000 0.5000 0.2196 ( 3240 PWs) bands (ev): -30.2662 -30.2662 -30.2582 -30.2582 -11.4652 -11.4652 -11.4479 -11.4479 -10.1278 -10.1278 -10.0730 -10.0730 -10.0634 -10.0634 -10.0231 -10.0231 -3.4238 -3.4238 -3.4123 -3.4123 -1.4176 -1.4176 -1.3205 -1.3205 3.3570 3.3570 3.3682 3.3682 4.2587 4.2587 4.6282 4.6282 7.3805 7.3805 7.3807 7.3807 7.4342 7.4342 7.4452 7.4452 8.3628 8.3628 9.1067 9.1067 10.7891 10.7891 10.8051 10.8051 12.9701 12.9701 12.9701 12.9701 15.3741 15.3741 15.5436 15.5436 15.6504 15.6504 16.4233 16.4233 k = 0.5000 0.5000 0.2311 ( 3232 PWs) bands (ev): -30.2652 -30.2652 -30.2592 -30.2592 -11.4627 -11.4627 -11.4496 -11.4496 -10.1205 -10.1205 -10.0718 -10.0718 -10.0669 -10.0669 -10.0294 -10.0294 -3.4221 -3.4221 -3.4134 -3.4134 -1.4059 -1.4059 -1.3327 -1.3327 3.3577 3.3577 3.3661 3.3661 4.3038 4.3038 4.5824 4.5824 7.3805 7.3805 7.3807 7.3807 7.4360 7.4360 7.4443 7.4443 8.4456 8.4456 9.0048 9.0048 10.7900 10.7900 10.8021 10.8021 12.9701 12.9701 12.9701 12.9701 15.5164 15.5164 15.5732 15.5732 15.6559 15.6559 16.3609 16.3609 k = 0.5000 0.5000 0.2427 ( 3220 PWs) bands (ev): -30.2642 -30.2642 -30.2601 -30.2601 -11.4603 -11.4603 -11.4516 -11.4516 -10.1128 -10.1128 -10.0802 -10.0802 -10.0608 -10.0608 -10.0357 -10.0357 -3.4204 -3.4204 -3.4146 -3.4146 -1.3940 -1.3940 -1.3450 -1.3450 3.3585 3.3585 3.3641 3.3641 4.3496 4.3496 4.5361 4.5361 7.3805 7.3805 7.3806 7.3806 7.4377 7.4377 7.4432 7.4432 8.5316 8.5316 8.9050 8.9050 10.7912 10.7912 10.7993 10.7993 12.9702 12.9702 12.9702 12.9702 15.5989 15.5989 15.6342 15.6342 15.6817 15.6817 16.2304 16.2304 k = 0.5000 0.5000 0.2542 ( 3220 PWs) bands (ev): -30.2632 -30.2632 -30.2612 -30.2612 -11.4580 -11.4580 -11.4536 -11.4536 -10.1049 -10.1049 -10.0886 -10.0886 -10.0545 -10.0545 -10.0420 -10.0420 -3.4188 -3.4188 -3.4159 -3.4159 -1.3819 -1.3819 -1.3573 -1.3573 3.3596 3.3596 3.3624 3.3624 4.3960 4.3960 4.4894 4.4894 7.3805 7.3805 7.3806 7.3806 7.4393 7.4393 7.4420 7.4420 8.6207 8.6207 8.8076 8.8076 10.7927 10.7927 10.7968 10.7968 12.9702 12.9702 12.9702 12.9702 15.6197 15.6197 15.6436 15.6436 15.8105 15.8105 16.0918 16.0918 k = 0.5000 0.5000 0.2658 ( 3216 PWs) bands (ev): -30.2622 -30.2622 -30.2622 -30.2622 -11.4557 -11.4557 -11.4557 -11.4557 -10.0968 -10.0968 -10.0968 -10.0968 -10.0483 -10.0483 -10.0483 -10.0483 -3.4173 -3.4173 -3.4173 -3.4173 -1.3696 -1.3696 -1.3696 -1.3696 3.3609 3.3609 3.3609 3.3609 4.4426 4.4426 4.4426 4.4426 7.3805 7.3805 7.3805 7.3805 7.4407 7.4407 7.4407 7.4407 8.7128 8.7128 8.7128 8.7128 10.7946 10.7946 10.7946 10.7946 12.9702 12.9702 12.9702 12.9702 15.6349 15.6349 15.6349 15.6349 15.9513 15.9513 15.9513 15.9513 Writing output data file YxBCx2.save init_run : 0.66s CPU 1.20s WALL ( 1 calls) electrons : 182.70s CPU 187.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.02s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 182.70s CPU 187.03s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 364 calls) cegterg : 161.25s CPU 163.51s WALL ( 571 calls) Called by sum_band: Called by *egterg: h_psi : 79.68s CPU 81.35s WALL ( 9243 calls) s_psi : 6.19s CPU 6.44s WALL ( 9243 calls) g_psi : 0.22s CPU 0.23s WALL ( 8308 calls) cdiaghg : 73.32s CPU 74.21s WALL ( 8672 calls) cegterg:over : 6.73s CPU 6.59s WALL ( 8308 calls) cegterg:upda : 5.28s CPU 5.37s WALL ( 8308 calls) cegterg:last : 3.02s CPU 2.92s WALL ( 1299 calls) cdiaghg:chol : 3.99s CPU 4.13s WALL ( 8672 calls) cdiaghg:inve : 2.76s CPU 2.86s WALL ( 8672 calls) cdiaghg:para : 4.74s CPU 4.59s WALL ( 17344 calls) Called by h_psi: h_psi:vloc : 63.59s CPU 65.16s WALL ( 9243 calls) h_psi:vnl : 15.90s CPU 15.95s WALL ( 9243 calls) add_vuspsi : 8.21s CPU 8.10s WALL ( 9243 calls) General routines calbec : 7.66s CPU 7.83s WALL ( 9243 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.82s CPU 60.15s WALL ( 1041636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.23s WALL ( 728 calls) Parallel routines fft_scatter : 25.01s CPU 25.83s WALL ( 1041659 calls) PWSCF : 3m21.25s CPU 3m57.06s WALL This run was terminated on: 16:12: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=