Program PWSCF v.5.1.1 starts on 20Jul2015 at 1:24:23 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AgI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 22 6 730 730 116 Max 23 23 7 737 737 123 Sum 1085 1085 325 35221 35221 5743 bravais-lattice index = 14 lattice parameter (alat) = 8.6549 a.u. unit-cell volume = 849.3344 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.654945 celldm(2)= 1.000000 celldm(3)= 1.310044 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 1.310044 ) 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 0.763333 ) PseudoPot. # 1 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 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 =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0030488 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0030488 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030488 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0030488 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0030488 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0030488 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0030488 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030488 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0030488 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0030488 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0030488 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0030488 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030488 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0030488 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0030488 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0030488 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0030488 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030488 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0030488 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0030488 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0030488 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030488 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0030488 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0030488 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0030488 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0030488 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030488 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0030488 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0030488 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0030488 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0030488 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0030488 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0030488 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0030488 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0030488 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0030488 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0030488 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0030488 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0030488 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0030488 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0030488 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0030488 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0030488 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0030488 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0030488 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0030488 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0030488 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0030488 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0030488 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0030488 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0030488 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0030488 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0030488 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0030488 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0030488 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0030488 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0030488 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0030488 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0030488 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0030488 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0030488 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0030488 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0030488 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0030488 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0030488 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0030488 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0030488 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0030488 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0030488 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0030488 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0030488 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0030488 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0030488 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0030488 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0030488 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0030488 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0030488 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0030488 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 124) = ( 0.0000000 0.0000000 0.0141358), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.0282716), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.0424074), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.0565432), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.0706790), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.0848148), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.0989506), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.1130864), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.1272222), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.1413580), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.1554938), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.1696296), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.1837654), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.1979012), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.2120370), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.2261728), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.2403086), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.2544444), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.2685802), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.2827160), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.2968519), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.3109877), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.3251235), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.3392593), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.3533951), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.3675309), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.3816667), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.3816667), wk = 0.0030488 k( 152) = ( 0.0000000 0.0142857 0.3816667), wk = 0.0030488 k( 153) = ( 0.0000000 0.0285714 0.3816667), wk = 0.0030488 k( 154) = ( 0.0000000 0.0428571 0.3816667), wk = 0.0030488 k( 155) = ( 0.0000000 0.0571429 0.3816667), wk = 0.0030488 k( 156) = ( 0.0000000 0.0714286 0.3816667), wk = 0.0030488 k( 157) = ( 0.0000000 0.0857143 0.3816667), wk = 0.0030488 k( 158) = ( 0.0000000 0.1000000 0.3816667), wk = 0.0030488 k( 159) = ( 0.0000000 0.1142857 0.3816667), wk = 0.0030488 k( 160) = ( 0.0000000 0.1285714 0.3816667), wk = 0.0030488 k( 161) = ( 0.0000000 0.1428571 0.3816667), wk = 0.0030488 k( 162) = ( 0.0000000 0.1571429 0.3816667), wk = 0.0030488 k( 163) = ( 0.0000000 0.1714286 0.3816667), wk = 0.0030488 k( 164) = ( 0.0000000 0.1857143 0.3816667), wk = 0.0030488 k( 165) = ( 0.0000000 0.2000000 0.3816667), wk = 0.0030488 k( 166) = ( 0.0000000 0.2142857 0.3816667), wk = 0.0030488 k( 167) = ( 0.0000000 0.2285714 0.3816667), wk = 0.0030488 k( 168) = ( 0.0000000 0.2428571 0.3816667), wk = 0.0030488 k( 169) = ( 0.0000000 0.2571429 0.3816667), wk = 0.0030488 k( 170) = ( 0.0000000 0.2714286 0.3816667), wk = 0.0030488 k( 171) = ( 0.0000000 0.2857143 0.3816667), wk = 0.0030488 k( 172) = ( 0.0000000 0.3000000 0.3816667), wk = 0.0030488 k( 173) = ( 0.0000000 0.3142857 0.3816667), wk = 0.0030488 k( 174) = ( 0.0000000 0.3285714 0.3816667), wk = 0.0030488 k( 175) = ( 0.0000000 0.3428571 0.3816667), wk = 0.0030488 k( 176) = ( 0.0000000 0.3571429 0.3816667), wk = 0.0030488 k( 177) = ( 0.0000000 0.3714286 0.3816667), wk = 0.0030488 k( 178) = ( 0.0000000 0.3857143 0.3816667), wk = 0.0030488 k( 179) = ( 0.0000000 0.4000000 0.3816667), wk = 0.0030488 k( 180) = ( 0.0000000 0.4142857 0.3816667), wk = 0.0030488 k( 181) = ( 0.0000000 0.4285714 0.3816667), wk = 0.0030488 k( 182) = ( 0.0000000 0.4428571 0.3816667), wk = 0.0030488 k( 183) = ( 0.0000000 0.4571429 0.3816667), wk = 0.0030488 k( 184) = ( 0.0000000 0.4714286 0.3816667), wk = 0.0030488 k( 185) = ( 0.0000000 0.4857143 0.3816667), wk = 0.0030488 k( 186) = ( 0.0000000 0.5000000 0.3816667), wk = 0.0030488 k( 187) = ( 0.0000000 0.5000000 0.3816667), wk = 0.0030488 k( 188) = ( 0.0142857 0.5000000 0.3816667), wk = 0.0030488 k( 189) = ( 0.0285714 0.5000000 0.3816667), wk = 0.0030488 k( 190) = ( 0.0428571 0.5000000 0.3816667), wk = 0.0030488 k( 191) = ( 0.0571429 0.5000000 0.3816667), wk = 0.0030488 k( 192) = ( 0.0714286 0.5000000 0.3816667), wk = 0.0030488 k( 193) = ( 0.0857143 0.5000000 0.3816667), wk = 0.0030488 k( 194) = ( 0.1000000 0.5000000 0.3816667), wk = 0.0030488 k( 195) = ( 0.1142857 0.5000000 0.3816667), wk = 0.0030488 k( 196) = ( 0.1285714 0.5000000 0.3816667), wk = 0.0030488 k( 197) = ( 0.1428571 0.5000000 0.3816667), wk = 0.0030488 k( 198) = ( 0.1571429 0.5000000 0.3816667), wk = 0.0030488 k( 199) = ( 0.1714286 0.5000000 0.3816667), wk = 0.0030488 k( 200) = ( 0.1857143 0.5000000 0.3816667), wk = 0.0030488 k( 201) = ( 0.2000000 0.5000000 0.3816667), wk = 0.0030488 k( 202) = ( 0.2142857 0.5000000 0.3816667), wk = 0.0030488 k( 203) = ( 0.2285714 0.5000000 0.3816667), wk = 0.0030488 k( 204) = ( 0.2428571 0.5000000 0.3816667), wk = 0.0030488 k( 205) = ( 0.2571429 0.5000000 0.3816667), wk = 0.0030488 k( 206) = ( 0.2714286 0.5000000 0.3816667), wk = 0.0030488 k( 207) = ( 0.2857143 0.5000000 0.3816667), wk = 0.0030488 k( 208) = ( 0.3000000 0.5000000 0.3816667), wk = 0.0030488 k( 209) = ( 0.3142857 0.5000000 0.3816667), wk = 0.0030488 k( 210) = ( 0.3285714 0.5000000 0.3816667), wk = 0.0030488 k( 211) = ( 0.3428571 0.5000000 0.3816667), wk = 0.0030488 k( 212) = ( 0.3571429 0.5000000 0.3816667), wk = 0.0030488 k( 213) = ( 0.3714286 0.5000000 0.3816667), wk = 0.0030488 k( 214) = ( 0.3857143 0.5000000 0.3816667), wk = 0.0030488 k( 215) = ( 0.4000000 0.5000000 0.3816667), wk = 0.0030488 k( 216) = ( 0.4142857 0.5000000 0.3816667), wk = 0.0030488 k( 217) = ( 0.4285714 0.5000000 0.3816667), wk = 0.0030488 k( 218) = ( 0.4428571 0.5000000 0.3816667), wk = 0.0030488 k( 219) = ( 0.4571429 0.5000000 0.3816667), wk = 0.0030488 k( 220) = ( 0.4714286 0.5000000 0.3816667), wk = 0.0030488 k( 221) = ( 0.4857143 0.5000000 0.3816667), wk = 0.0030488 k( 222) = ( 0.5000000 0.5000000 0.3816667), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.3816667), wk = 0.0030488 k( 224) = ( 0.4897959 0.4897959 0.3816667), wk = 0.0030488 k( 225) = ( 0.4795918 0.4795918 0.3816667), wk = 0.0030488 k( 226) = ( 0.4693878 0.4693878 0.3816667), wk = 0.0030488 k( 227) = ( 0.4591837 0.4591837 0.3816667), wk = 0.0030488 k( 228) = ( 0.4489796 0.4489796 0.3816667), wk = 0.0030488 k( 229) = ( 0.4387755 0.4387755 0.3816667), wk = 0.0030488 k( 230) = ( 0.4285714 0.4285714 0.3816667), wk = 0.0030488 k( 231) = ( 0.4183674 0.4183673 0.3816667), wk = 0.0030488 k( 232) = ( 0.4081633 0.4081633 0.3816667), wk = 0.0030488 k( 233) = ( 0.3979592 0.3979592 0.3816667), wk = 0.0030488 k( 234) = ( 0.3877551 0.3877551 0.3816667), wk = 0.0030488 k( 235) = ( 0.3775510 0.3775510 0.3816667), wk = 0.0030488 k( 236) = ( 0.3673469 0.3673469 0.3816667), wk = 0.0030488 k( 237) = ( 0.3571429 0.3571429 0.3816667), wk = 0.0030488 k( 238) = ( 0.3469388 0.3469388 0.3816667), wk = 0.0030488 k( 239) = ( 0.3367347 0.3367347 0.3816667), wk = 0.0030488 k( 240) = ( 0.3265306 0.3265306 0.3816667), wk = 0.0030488 k( 241) = ( 0.3163265 0.3163265 0.3816667), wk = 0.0030488 k( 242) = ( 0.3061224 0.3061224 0.3816667), wk = 0.0030488 k( 243) = ( 0.2959184 0.2959184 0.3816667), wk = 0.0030488 k( 244) = ( 0.2857143 0.2857143 0.3816667), wk = 0.0030488 k( 245) = ( 0.2755102 0.2755102 0.3816667), wk = 0.0030488 k( 246) = ( 0.2653061 0.2653061 0.3816667), wk = 0.0030488 k( 247) = ( 0.2551020 0.2551020 0.3816667), wk = 0.0030488 k( 248) = ( 0.2448980 0.2448980 0.3816667), wk = 0.0030488 k( 249) = ( 0.2346939 0.2346939 0.3816667), wk = 0.0030488 k( 250) = ( 0.2244898 0.2244898 0.3816667), wk = 0.0030488 k( 251) = ( 0.2142857 0.2142857 0.3816667), wk = 0.0030488 k( 252) = ( 0.2040816 0.2040816 0.3816667), wk = 0.0030488 k( 253) = ( 0.1938776 0.1938775 0.3816667), wk = 0.0030488 k( 254) = ( 0.1836735 0.1836735 0.3816667), wk = 0.0030488 k( 255) = ( 0.1734694 0.1734694 0.3816667), wk = 0.0030488 k( 256) = ( 0.1632653 0.1632653 0.3816667), wk = 0.0030488 k( 257) = ( 0.1530612 0.1530612 0.3816667), wk = 0.0030488 k( 258) = ( 0.1428571 0.1428571 0.3816667), wk = 0.0030488 k( 259) = ( 0.1326531 0.1326531 0.3816667), wk = 0.0030488 k( 260) = ( 0.1224490 0.1224490 0.3816667), wk = 0.0030488 k( 261) = ( 0.1122449 0.1122449 0.3816667), wk = 0.0030488 k( 262) = ( 0.1020408 0.1020408 0.3816667), wk = 0.0030488 k( 263) = ( 0.0918367 0.0918367 0.3816667), wk = 0.0030488 k( 264) = ( 0.0816327 0.0816326 0.3816667), wk = 0.0030488 k( 265) = ( 0.0714286 0.0714286 0.3816667), wk = 0.0030488 k( 266) = ( 0.0612245 0.0612245 0.3816667), wk = 0.0030488 k( 267) = ( 0.0510204 0.0510204 0.3816667), wk = 0.0030488 k( 268) = ( 0.0408163 0.0408163 0.3816667), wk = 0.0030488 k( 269) = ( 0.0306122 0.0306122 0.3816667), wk = 0.0030488 k( 270) = ( 0.0204082 0.0204082 0.3816667), wk = 0.0030488 k( 271) = ( 0.0102041 0.0102041 0.3816667), wk = 0.0030488 k( 272) = ( 0.0000000 0.0000000 0.3816667), wk = 0.0030488 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 274) = ( 0.0000000 0.5000000 0.0141358), wk = 0.0030488 k( 275) = ( 0.0000000 0.5000000 0.0282716), wk = 0.0030488 k( 276) = ( 0.0000000 0.5000000 0.0424074), wk = 0.0030488 k( 277) = ( 0.0000000 0.5000000 0.0565432), wk = 0.0030488 k( 278) = ( 0.0000000 0.5000000 0.0706790), wk = 0.0030488 k( 279) = ( 0.0000000 0.5000000 0.0848148), wk = 0.0030488 k( 280) = ( 0.0000000 0.5000000 0.0989506), wk = 0.0030488 k( 281) = ( 0.0000000 0.5000000 0.1130864), wk = 0.0030488 k( 282) = ( 0.0000000 0.5000000 0.1272222), wk = 0.0030488 k( 283) = ( 0.0000000 0.5000000 0.1413580), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.1554938), wk = 0.0030488 k( 285) = ( 0.0000000 0.5000000 0.1696296), wk = 0.0030488 k( 286) = ( 0.0000000 0.5000000 0.1837654), wk = 0.0030488 k( 287) = ( 0.0000000 0.5000000 0.1979012), wk = 0.0030488 k( 288) = ( 0.0000000 0.5000000 0.2120370), wk = 0.0030488 k( 289) = ( 0.0000000 0.5000000 0.2261728), wk = 0.0030488 k( 290) = ( 0.0000000 0.5000000 0.2403086), wk = 0.0030488 k( 291) = ( 0.0000000 0.5000000 0.2544444), wk = 0.0030488 k( 292) = ( 0.0000000 0.5000000 0.2685802), wk = 0.0030488 k( 293) = ( 0.0000000 0.5000000 0.2827160), wk = 0.0030488 k( 294) = ( 0.0000000 0.5000000 0.2968519), wk = 0.0030488 k( 295) = ( 0.0000000 0.5000000 0.3109877), wk = 0.0030488 k( 296) = ( 0.0000000 0.5000000 0.3251235), wk = 0.0030488 k( 297) = ( 0.0000000 0.5000000 0.3392593), wk = 0.0030488 k( 298) = ( 0.0000000 0.5000000 0.3533951), wk = 0.0030488 k( 299) = ( 0.0000000 0.5000000 0.3675309), wk = 0.0030488 k( 300) = ( 0.0000000 0.5000000 0.3816667), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.0141358), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.0282716), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.0424074), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.0565432), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.0706790), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.0848148), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.0989506), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.1130864), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.1272222), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.1413580), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.1554938), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.1696296), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.1837654), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.1979012), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.2120370), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.2261728), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.2403086), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.2544444), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.2685802), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.2827160), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.2968519), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.3109877), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.3251235), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.3392593), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.3533951), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.3675309), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.3816667), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0030488 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0030488 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0030488 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0030488 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0030488 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0030488 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030488 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0030488 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0030488 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0030488 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0030488 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030488 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0030488 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0030488 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0030488 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0030488 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0030488 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0030488 k( 59) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0030488 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0030488 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0030488 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0030488 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0030488 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0030488 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0030488 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030488 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0030488 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0030488 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0030488 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0030488 k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0030488 k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0030488 k( 77) = ( 0.4591837 0.4591837 0.0000000), wk = 0.0030488 k( 78) = ( 0.4489796 0.4489796 0.0000000), wk = 0.0030488 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0030488 k( 80) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0030488 k( 81) = ( 0.4183674 0.4183674 -0.0000000), wk = 0.0030488 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0030488 k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0030488 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0030488 k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0030488 k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0030488 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0030488 k( 88) = ( 0.3469388 0.3469388 0.0000000), wk = 0.0030488 k( 89) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0030488 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0030488 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0030488 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0030488 k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0030488 k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0030488 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0030488 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0030488 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0030488 k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0030488 k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0030488 k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0030488 k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0030488 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0030488 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0030488 k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0030488 k( 105) = ( 0.1734694 0.1734694 0.0000000), wk = 0.0030488 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0030488 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0030488 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0030488 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0030488 k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0030488 k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0030488 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0030488 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0030488 k( 114) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0030488 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0030488 k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0030488 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0030488 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0030488 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0030488 k( 120) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0030488 k( 121) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0030488 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 124) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 152) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0030488 k( 153) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0030488 k( 154) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0030488 k( 155) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0030488 k( 156) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0030488 k( 157) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0030488 k( 158) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0030488 k( 159) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0030488 k( 160) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0030488 k( 161) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0030488 k( 162) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0030488 k( 163) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0030488 k( 164) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0030488 k( 165) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0030488 k( 166) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0030488 k( 167) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0030488 k( 168) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0030488 k( 169) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0030488 k( 171) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0030488 k( 172) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0030488 k( 173) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0030488 k( 174) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0030488 k( 175) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0030488 k( 176) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0030488 k( 177) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0030488 k( 178) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0030488 k( 179) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0030488 k( 180) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0030488 k( 181) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0030488 k( 182) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0030488 k( 183) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0030488 k( 184) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0030488 k( 185) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0030488 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 187) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 188) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0030488 k( 189) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0030488 k( 190) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0030488 k( 191) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0030488 k( 192) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0030488 k( 195) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0030488 k( 196) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0030488 k( 197) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0030488 k( 198) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0030488 k( 199) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0030488 k( 200) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0030488 k( 201) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0030488 k( 202) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0030488 k( 203) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0030488 k( 204) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0030488 k( 205) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0030488 k( 206) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0030488 k( 207) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0030488 k( 208) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0030488 k( 209) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0030488 k( 210) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0030488 k( 211) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0030488 k( 212) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0030488 k( 213) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0030488 k( 214) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0030488 k( 215) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0030488 k( 216) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0030488 k( 217) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0030488 k( 218) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0030488 k( 219) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0030488 k( 220) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0030488 k( 221) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0030488 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0030488 k( 225) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0030488 k( 226) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0030488 k( 227) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0030488 k( 228) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0030488 k( 229) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0030488 k( 230) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0030488 k( 231) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0030488 k( 232) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0030488 k( 233) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0030488 k( 234) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0030488 k( 235) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0030488 k( 236) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0030488 k( 237) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0030488 k( 238) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0030488 k( 239) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0030488 k( 240) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0030488 k( 241) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0030488 k( 242) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0030488 k( 243) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0030488 k( 244) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0030488 k( 245) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0030488 k( 246) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0030488 k( 247) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0030488 k( 248) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0030488 k( 249) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0030488 k( 250) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0030488 k( 251) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0030488 k( 252) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0030488 k( 253) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0030488 k( 254) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0030488 k( 255) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0030488 k( 256) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0030488 k( 257) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0030488 k( 258) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0030488 k( 259) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0030488 k( 260) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0030488 k( 261) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0030488 k( 262) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0030488 k( 263) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0030488 k( 264) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0030488 k( 265) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0030488 k( 266) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0030488 k( 267) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0030488 k( 268) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0030488 k( 269) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0030488 k( 270) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0030488 k( 271) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0030488 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 274) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0030488 k( 275) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0030488 k( 276) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0030488 k( 277) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0030488 k( 278) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0030488 k( 279) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0030488 k( 280) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0030488 k( 281) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0030488 k( 282) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0030488 k( 283) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0030488 k( 285) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0030488 k( 286) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0030488 k( 287) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0030488 k( 288) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0030488 k( 289) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0030488 k( 290) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0030488 k( 291) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0030488 k( 292) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0030488 k( 293) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0030488 k( 294) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0030488 k( 295) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0030488 k( 296) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0030488 k( 297) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0030488 k( 298) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0030488 k( 299) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0030488 k( 300) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 Dense grid: 35221 G-vectors FFT dimensions: ( 40, 40, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 200, 44) NL pseudopotentials 0.21 Mb ( 100, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 737) G-vector shells 0.00 Mb ( 380) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 200, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./AgI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 42.3 secs Computing kpt #: 3 total cpu time spent up to now is 43.5 secs Computing kpt #: 4 total cpu time spent up to now is 44.7 secs Computing kpt #: 5 total cpu time spent up to now is 45.9 secs Computing kpt #: 6 total cpu time spent up to now is 47.2 secs Computing kpt #: 7 total cpu time spent up to now is 48.4 secs Computing kpt #: 8 total cpu time spent up to now is 49.7 secs Computing kpt #: 9 total cpu time spent up to now is 50.9 secs Computing kpt #: 10 total cpu time spent up to now is 52.2 secs Computing kpt #: 11 total cpu time spent up to now is 53.5 secs Computing kpt #: 12 total cpu time spent up to now is 54.8 secs Computing kpt #: 13 total cpu time spent up to now is 56.1 secs Computing kpt #: 14 total cpu time spent up to now is 57.3 secs Computing kpt #: 15 total cpu time spent up to now is 58.7 secs Computing kpt #: 16 total cpu time spent up to now is 59.9 secs Computing kpt #: 17 total cpu time spent up to now is 61.2 secs Computing kpt #: 18 total cpu time spent up to now is 62.5 secs Computing kpt #: 19 total cpu time spent up to now is 63.8 secs Computing kpt #: 20 total cpu time spent up to now is 65.2 secs Computing kpt #: 21 total cpu time spent up to now is 66.6 secs Computing kpt #: 22 total cpu time spent up to now is 68.3 secs Computing kpt #: 23 total cpu time spent up to now is 69.7 secs Computing kpt #: 24 total cpu time spent up to now is 71.1 secs Computing kpt #: 25 total cpu time spent up to now is 72.5 secs Computing kpt #: 26 total cpu time spent up to now is 73.9 secs Computing kpt #: 27 total cpu time spent up to now is 75.3 secs Computing kpt #: 28 total cpu time spent up to now is 76.8 secs Computing kpt #: 29 total cpu time spent up to now is 78.3 secs Computing kpt #: 30 total cpu time spent up to now is 79.8 secs Computing kpt #: 31 total cpu time spent up to now is 81.3 secs Computing kpt #: 32 total cpu time spent up to now is 82.7 secs Computing kpt #: 33 total cpu time spent up to now is 84.0 secs Computing kpt #: 34 total cpu time spent up to now is 85.2 secs Computing kpt #: 35 total cpu time spent up to now is 86.3 secs Computing kpt #: 36 total cpu time spent up to now is 87.4 secs Computing kpt #: 37 total cpu time spent up to now is 88.7 secs Computing kpt #: 38 total cpu time spent up to now is 90.1 secs Computing kpt #: 39 total cpu time spent up to now is 91.3 secs Computing kpt #: 40 total cpu time spent up to now is 92.7 secs Computing kpt #: 41 total cpu time spent up to now is 94.1 secs Computing kpt #: 42 total cpu time spent up to now is 95.5 secs Computing kpt #: 43 total cpu time spent up to now is 96.8 secs Computing kpt #: 44 total cpu time spent up to now is 98.1 secs Computing kpt #: 45 total cpu time spent up to now is 99.3 secs Computing kpt #: 46 total cpu time spent up to now is 100.6 secs Computing kpt #: 47 total cpu time spent up to now is 101.9 secs Computing kpt #: 48 total cpu time spent up to now is 103.2 secs Computing kpt #: 49 total cpu time spent up to now is 104.5 secs Computing kpt #: 50 total cpu time spent up to now is 105.7 secs Computing kpt #: 51 total cpu time spent up to now is 107.0 secs Computing kpt #: 52 total cpu time spent up to now is 108.3 secs Computing kpt #: 53 total cpu time spent up to now is 109.6 secs Computing kpt #: 54 total cpu time spent up to now is 110.7 secs Computing kpt #: 55 total cpu time spent up to now is 111.8 secs Computing kpt #: 56 total cpu time spent up to now is 112.9 secs Computing kpt #: 57 total cpu time spent up to now is 114.0 secs Computing kpt #: 58 total cpu time spent up to now is 115.0 secs Computing kpt #: 59 total cpu time spent up to now is 116.1 secs Computing kpt #: 60 total cpu time spent up to now is 117.1 secs Computing kpt #: 61 total cpu time spent up to now is 118.2 secs Computing kpt #: 62 total cpu time spent up to now is 119.2 secs Computing kpt #: 63 total cpu time spent up to now is 120.3 secs Computing kpt #: 64 total cpu time spent up to now is 121.3 secs Computing kpt #: 65 total cpu time spent up to now is 122.2 secs Computing kpt #: 66 total cpu time spent up to now is 123.2 secs Computing kpt #: 67 total cpu time spent up to now is 124.1 secs Computing kpt #: 68 total cpu time spent up to now is 125.1 secs Computing kpt #: 69 total cpu time spent up to now is 126.1 secs Computing kpt #: 70 total cpu time spent up to now is 127.0 secs Computing kpt #: 71 total cpu time spent up to now is 127.9 secs Computing kpt #: 72 total cpu time spent up to now is 128.8 secs Computing kpt #: 73 total cpu time spent up to now is 129.7 secs Computing kpt #: 74 total cpu time spent up to now is 130.7 secs Computing kpt #: 75 total cpu time spent up to now is 131.7 secs Computing kpt #: 76 total cpu time spent up to now is 132.6 secs Computing kpt #: 77 total cpu time spent up to now is 133.6 secs Computing kpt #: 78 total cpu time spent up to now is 134.5 secs Computing kpt #: 79 total cpu time spent up to now is 135.4 secs Computing kpt #: 80 total cpu time spent up to now is 136.4 secs Computing kpt #: 81 total cpu time spent up to now is 137.4 secs Computing kpt #: 82 total cpu time spent up to now is 138.3 secs Computing kpt #: 83 total cpu time spent up to now is 139.3 secs Computing kpt #: 84 total cpu time spent up to now is 140.2 secs Computing kpt #: 85 total cpu time spent up to now is 141.2 secs Computing kpt #: 86 total cpu time spent up to now is 142.3 secs Computing kpt #: 87 total cpu time spent up to now is 143.3 secs Computing kpt #: 88 total cpu time spent up to now is 144.3 secs Computing kpt #: 89 total cpu time spent up to now is 145.4 secs Computing kpt #: 90 total cpu time spent up to now is 146.6 secs Computing kpt #: 91 total cpu time spent up to now is 147.9 secs Computing kpt #: 92 total cpu time spent up to now is 149.3 secs Computing kpt #: 93 total cpu time spent up to now is 150.6 secs Computing kpt #: 94 total cpu time spent up to now is 152.0 secs Computing kpt #: 95 total cpu time spent up to now is 153.6 secs Computing kpt #: 96 total cpu time spent up to now is 155.0 secs Computing kpt #: 97 total cpu time spent up to now is 156.7 secs Computing kpt #: 98 total cpu time spent up to now is 158.3 secs Computing kpt #: 99 total cpu time spent up to now is 161.0 secs Computing kpt #: 100 total cpu time spent up to now is 163.0 secs Computing kpt #: 101 total cpu time spent up to now is 164.6 secs Computing kpt #: 102 total cpu time spent up to now is 166.3 secs Computing kpt #: 103 total cpu time spent up to now is 167.9 secs Computing kpt #: 104 total cpu time spent up to now is 169.5 secs Computing kpt #: 105 total cpu time spent up to now is 171.0 secs Computing kpt #: 106 total cpu time spent up to now is 172.4 secs Computing kpt #: 107 total cpu time spent up to now is 173.8 secs Computing kpt #: 108 total cpu time spent up to now is 175.2 secs Computing kpt #: 109 total cpu time spent up to now is 176.6 secs Computing kpt #: 110 total cpu time spent up to now is 177.9 secs Computing kpt #: 111 total cpu time spent up to now is 179.4 secs Computing kpt #: 112 total cpu time spent up to now is 180.7 secs Computing kpt #: 113 total cpu time spent up to now is 182.1 secs Computing kpt #: 114 total cpu time spent up to now is 183.4 secs Computing kpt #: 115 total cpu time spent up to now is 184.8 secs Computing kpt #: 116 total cpu time spent up to now is 186.2 secs Computing kpt #: 117 total cpu time spent up to now is 187.5 secs Computing kpt #: 118 total cpu time spent up to now is 188.8 secs Computing kpt #: 119 total cpu time spent up to now is 190.1 secs Computing kpt #: 120 total cpu time spent up to now is 191.4 secs Computing kpt #: 121 total cpu time spent up to now is 192.6 secs Computing kpt #: 122 total cpu time spent up to now is 193.9 secs Computing kpt #: 123 total cpu time spent up to now is 195.1 secs Computing kpt #: 124 total cpu time spent up to now is 196.3 secs Computing kpt #: 125 total cpu time spent up to now is 197.8 secs Computing kpt #: 126 total cpu time spent up to now is 199.1 secs Computing kpt #: 127 total cpu time spent up to now is 200.4 secs Computing kpt #: 128 total cpu time spent up to now is 201.6 secs Computing kpt #: 129 total cpu time spent up to now is 202.9 secs Computing kpt #: 130 total cpu time spent up to now is 204.2 secs Computing kpt #: 131 total cpu time spent up to now is 205.4 secs Computing kpt #: 132 total cpu time spent up to now is 206.6 secs Computing kpt #: 133 total cpu time spent up to now is 207.9 secs Computing kpt #: 134 total cpu time spent up to now is 209.2 secs Computing kpt #: 135 total cpu time spent up to now is 210.5 secs Computing kpt #: 136 total cpu time spent up to now is 211.8 secs Computing kpt #: 137 total cpu time spent up to now is 213.2 secs Computing kpt #: 138 total cpu time spent up to now is 214.5 secs Computing kpt #: 139 total cpu time spent up to now is 215.9 secs Computing kpt #: 140 total cpu time spent up to now is 217.2 secs Computing kpt #: 141 total cpu time spent up to now is 218.6 secs Computing kpt #: 142 total cpu time spent up to now is 219.9 secs Computing kpt #: 143 total cpu time spent up to now is 221.3 secs Computing kpt #: 144 total cpu time spent up to now is 222.6 secs Computing kpt #: 145 total cpu time spent up to now is 223.9 secs Computing kpt #: 146 total cpu time spent up to now is 225.2 secs Computing kpt #: 147 total cpu time spent up to now is 226.5 secs Computing kpt #: 148 total cpu time spent up to now is 227.9 secs Computing kpt #: 149 total cpu time spent up to now is 229.1 secs Computing kpt #: 150 total cpu time spent up to now is 230.4 secs Computing kpt #: 151 total cpu time spent up to now is 231.6 secs Computing kpt #: 152 total cpu time spent up to now is 232.9 secs Computing kpt #: 153 total cpu time spent up to now is 234.5 secs Computing kpt #: 154 total cpu time spent up to now is 235.7 secs Computing kpt #: 155 total cpu time spent up to now is 237.0 secs Computing kpt #: 156 total cpu time spent up to now is 238.4 secs Computing kpt #: 157 total cpu time spent up to now is 239.7 secs Computing kpt #: 158 total cpu time spent up to now is 241.0 secs Computing kpt #: 159 total cpu time spent up to now is 242.4 secs Computing kpt #: 160 total cpu time spent up to now is 243.7 secs Computing kpt #: 161 total cpu time spent up to now is 245.1 secs Computing kpt #: 162 total cpu time spent up to now is 246.5 secs Computing kpt #: 163 total cpu time spent up to now is 247.9 secs Computing kpt #: 164 total cpu time spent up to now is 249.3 secs Computing kpt #: 165 total cpu time spent up to now is 250.7 secs Computing kpt #: 166 total cpu time spent up to now is 252.2 secs Computing kpt #: 167 total cpu time spent up to now is 253.6 secs Computing kpt #: 168 total cpu time spent up to now is 255.3 secs Computing kpt #: 169 total cpu time spent up to now is 256.9 secs Computing kpt #: 170 total cpu time spent up to now is 258.3 secs Computing kpt #: 171 total cpu time spent up to now is 259.8 secs Computing kpt #: 172 total cpu time spent up to now is 261.4 secs Computing kpt #: 173 total cpu time spent up to now is 263.0 secs Computing kpt #: 174 total cpu time spent up to now is 264.6 secs Computing kpt #: 175 total cpu time spent up to now is 266.1 secs Computing kpt #: 176 total cpu time spent up to now is 267.6 secs Computing kpt #: 177 total cpu time spent up to now is 269.2 secs Computing kpt #: 178 total cpu time spent up to now is 270.7 secs Computing kpt #: 179 total cpu time spent up to now is 272.3 secs Computing kpt #: 180 total cpu time spent up to now is 273.8 secs Computing kpt #: 181 total cpu time spent up to now is 275.4 secs Computing kpt #: 182 total cpu time spent up to now is 276.9 secs Computing kpt #: 183 total cpu time spent up to now is 278.5 secs Computing kpt #: 184 total cpu time spent up to now is 280.0 secs Computing kpt #: 185 total cpu time spent up to now is 281.6 secs Computing kpt #: 186 total cpu time spent up to now is 283.2 secs Computing kpt #: 187 total cpu time spent up to now is 284.8 secs Computing kpt #: 188 total cpu time spent up to now is 286.3 secs Computing kpt #: 189 total cpu time spent up to now is 288.0 secs Computing kpt #: 190 total cpu time spent up to now is 289.5 secs Computing kpt #: 191 total cpu time spent up to now is 290.8 secs Computing kpt #: 192 total cpu time spent up to now is 292.2 secs Computing kpt #: 193 total cpu time spent up to now is 293.6 secs Computing kpt #: 194 total cpu time spent up to now is 295.0 secs Computing kpt #: 195 total cpu time spent up to now is 296.3 secs Computing kpt #: 196 total cpu time spent up to now is 297.6 secs Computing kpt #: 197 total cpu time spent up to now is 298.9 secs Computing kpt #: 198 total cpu time spent up to now is 300.2 secs Computing kpt #: 199 total cpu time spent up to now is 301.4 secs Computing kpt #: 200 total cpu time spent up to now is 302.7 secs Computing kpt #: 201 total cpu time spent up to now is 303.9 secs Computing kpt #: 202 total cpu time spent up to now is 305.2 secs Computing kpt #: 203 total cpu time spent up to now is 306.5 secs Computing kpt #: 204 total cpu time spent up to now is 307.7 secs Computing kpt #: 205 total cpu time spent up to now is 308.8 secs Computing kpt #: 206 total cpu time spent up to now is 309.8 secs Computing kpt #: 207 total cpu time spent up to now is 310.9 secs Computing kpt #: 208 total cpu time spent up to now is 312.1 secs Computing kpt #: 209 total cpu time spent up to now is 313.1 secs Computing kpt #: 210 total cpu time spent up to now is 314.2 secs Computing kpt #: 211 total cpu time spent up to now is 315.3 secs Computing kpt #: 212 total cpu time spent up to now is 316.4 secs Computing kpt #: 213 total cpu time spent up to now is 317.6 secs Computing kpt #: 214 total cpu time spent up to now is 318.7 secs Computing kpt #: 215 total cpu time spent up to now is 319.8 secs Computing kpt #: 216 total cpu time spent up to now is 320.9 secs Computing kpt #: 217 total cpu time spent up to now is 321.9 secs Computing kpt #: 218 total cpu time spent up to now is 323.2 secs Computing kpt #: 219 total cpu time spent up to now is 324.3 secs Computing kpt #: 220 total cpu time spent up to now is 325.4 secs Computing kpt #: 221 total cpu time spent up to now is 326.4 secs Computing kpt #: 222 total cpu time spent up to now is 327.5 secs Computing kpt #: 223 total cpu time spent up to now is 328.6 secs Computing kpt #: 224 total cpu time spent up to now is 329.7 secs Computing kpt #: 225 total cpu time spent up to now is 330.7 secs Computing kpt #: 226 total cpu time spent up to now is 331.8 secs Computing kpt #: 227 total cpu time spent up to now is 332.9 secs Computing kpt #: 228 total cpu time spent up to now is 334.0 secs Computing kpt #: 229 total cpu time spent up to now is 335.1 secs Computing kpt #: 230 total cpu time spent up to now is 336.2 secs Computing kpt #: 231 total cpu time spent up to now is 337.3 secs Computing kpt #: 232 total cpu time spent up to now is 338.4 secs Computing kpt #: 233 total cpu time spent up to now is 339.5 secs Computing kpt #: 234 total cpu time spent up to now is 340.6 secs Computing kpt #: 235 total cpu time spent up to now is 341.9 secs Computing kpt #: 236 total cpu time spent up to now is 343.1 secs Computing kpt #: 237 total cpu time spent up to now is 344.4 secs Computing kpt #: 238 total cpu time spent up to now is 345.7 secs Computing kpt #: 239 total cpu time spent up to now is 347.0 secs Computing kpt #: 240 total cpu time spent up to now is 348.3 secs Computing kpt #: 241 total cpu time spent up to now is 349.5 secs Computing kpt #: 242 total cpu time spent up to now is 350.8 secs Computing kpt #: 243 total cpu time spent up to now is 352.1 secs Computing kpt #: 244 total cpu time spent up to now is 353.6 secs Computing kpt #: 245 total cpu time spent up to now is 355.2 secs Computing kpt #: 246 total cpu time spent up to now is 356.9 secs Computing kpt #: 247 total cpu time spent up to now is 358.8 secs Computing kpt #: 248 total cpu time spent up to now is 360.3 secs Computing kpt #: 249 total cpu time spent up to now is 361.7 secs Computing kpt #: 250 total cpu time spent up to now is 363.1 secs Computing kpt #: 251 total cpu time spent up to now is 364.4 secs Computing kpt #: 252 total cpu time spent up to now is 365.8 secs Computing kpt #: 253 total cpu time spent up to now is 367.1 secs Computing kpt #: 254 total cpu time spent up to now is 368.4 secs Computing kpt #: 255 total cpu time spent up to now is 369.7 secs Computing kpt #: 256 total cpu time spent up to now is 371.0 secs Computing kpt #: 257 total cpu time spent up to now is 372.2 secs Computing kpt #: 258 total cpu time spent up to now is 373.5 secs Computing kpt #: 259 total cpu time spent up to now is 374.8 secs Computing kpt #: 260 total cpu time spent up to now is 376.3 secs Computing kpt #: 261 total cpu time spent up to now is 377.7 secs Computing kpt #: 262 total cpu time spent up to now is 379.1 secs Computing kpt #: 263 total cpu time spent up to now is 380.6 secs Computing kpt #: 264 total cpu time spent up to now is 381.9 secs Computing kpt #: 265 total cpu time spent up to now is 383.3 secs Computing kpt #: 266 total cpu time spent up to now is 384.6 secs Computing kpt #: 267 total cpu time spent up to now is 385.9 secs Computing kpt #: 268 total cpu time spent up to now is 387.2 secs Computing kpt #: 269 total cpu time spent up to now is 388.5 secs Computing kpt #: 270 total cpu time spent up to now is 389.9 secs Computing kpt #: 271 total cpu time spent up to now is 391.1 secs Computing kpt #: 272 total cpu time spent up to now is 392.4 secs Computing kpt #: 273 total cpu time spent up to now is 393.4 secs Computing kpt #: 274 total cpu time spent up to now is 394.7 secs Computing kpt #: 275 total cpu time spent up to now is 395.8 secs Computing kpt #: 276 total cpu time spent up to now is 396.8 secs Computing kpt #: 277 total cpu time spent up to now is 398.0 secs Computing kpt #: 278 total cpu time spent up to now is 399.2 secs Computing kpt #: 279 total cpu time spent up to now is 400.4 secs Computing kpt #: 280 total cpu time spent up to now is 401.7 secs Computing kpt #: 281 total cpu time spent up to now is 403.0 secs Computing kpt #: 282 total cpu time spent up to now is 404.2 secs Computing kpt #: 283 total cpu time spent up to now is 405.4 secs Computing kpt #: 284 total cpu time spent up to now is 406.6 secs Computing kpt #: 285 total cpu time spent up to now is 407.8 secs Computing kpt #: 286 total cpu time spent up to now is 409.0 secs Computing kpt #: 287 total cpu time spent up to now is 410.3 secs Computing kpt #: 288 total cpu time spent up to now is 411.5 secs Computing kpt #: 289 total cpu time spent up to now is 412.7 secs Computing kpt #: 290 total cpu time spent up to now is 414.0 secs Computing kpt #: 291 total cpu time spent up to now is 415.3 secs Computing kpt #: 292 total cpu time spent up to now is 416.5 secs Computing kpt #: 293 total cpu time spent up to now is 417.8 secs Computing kpt #: 294 total cpu time spent up to now is 419.2 secs Computing kpt #: 295 total cpu time spent up to now is 420.6 secs Computing kpt #: 296 total cpu time spent up to now is 422.1 secs Computing kpt #: 297 total cpu time spent up to now is 423.7 secs Computing kpt #: 298 total cpu time spent up to now is 425.3 secs Computing kpt #: 299 total cpu time spent up to now is 426.9 secs Computing kpt #: 300 total cpu time spent up to now is 428.4 secs Computing kpt #: 301 total cpu time spent up to now is 429.3 secs Computing kpt #: 302 total cpu time spent up to now is 430.2 secs Computing kpt #: 303 total cpu time spent up to now is 431.1 secs Computing kpt #: 304 total cpu time spent up to now is 432.1 secs Computing kpt #: 305 total cpu time spent up to now is 433.1 secs Computing kpt #: 306 total cpu time spent up to now is 434.2 secs Computing kpt #: 307 total cpu time spent up to now is 435.1 secs Computing kpt #: 308 total cpu time spent up to now is 436.0 secs Computing kpt #: 309 total cpu time spent up to now is 437.0 secs Computing kpt #: 310 total cpu time spent up to now is 438.0 secs Computing kpt #: 311 total cpu time spent up to now is 439.0 secs Computing kpt #: 312 total cpu time spent up to now is 440.0 secs Computing kpt #: 313 total cpu time spent up to now is 440.9 secs Computing kpt #: 314 total cpu time spent up to now is 441.9 secs Computing kpt #: 315 total cpu time spent up to now is 442.9 secs Computing kpt #: 316 total cpu time spent up to now is 444.0 secs Computing kpt #: 317 total cpu time spent up to now is 445.0 secs Computing kpt #: 318 total cpu time spent up to now is 446.0 secs Computing kpt #: 319 total cpu time spent up to now is 447.0 secs Computing kpt #: 320 total cpu time spent up to now is 448.0 secs Computing kpt #: 321 total cpu time spent up to now is 449.0 secs Computing kpt #: 322 total cpu time spent up to now is 450.1 secs Computing kpt #: 323 total cpu time spent up to now is 451.1 secs Computing kpt #: 324 total cpu time spent up to now is 452.1 secs Computing kpt #: 325 total cpu time spent up to now is 453.1 secs Computing kpt #: 326 total cpu time spent up to now is 454.2 secs Computing kpt #: 327 total cpu time spent up to now is 455.3 secs Computing kpt #: 328 total cpu time spent up to now is 456.4 secs ethr = 2.78E-11, avg # of iterations = 25.3 total cpu time spent up to now is 456.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -7.4556 -7.4556 -6.8272 -6.8272 0.5207 0.5207 1.0993 1.0993 1.1282 1.1282 1.1316 1.1316 1.3191 1.3191 1.5595 1.5595 2.0162 2.0162 2.4377 2.4377 2.6743 2.6743 2.7348 2.7348 3.0687 3.0687 3.1998 3.1998 3.6125 3.6125 4.3360 4.3360 5.2064 5.2064 5.5493 5.5493 6.5731 6.5731 8.6617 8.6617 9.3820 9.3820 10.4763 10.4763 k = 0.0000 0.0143-0.0000 ( 4481 PWs) bands (ev): -7.4552 -7.4552 -6.8273 -6.8273 0.5218 0.5218 1.0995 1.0995 1.1282 1.1282 1.1314 1.1314 1.3199 1.3199 1.5594 1.5594 2.0160 2.0160 2.4373 2.4373 2.6737 2.6737 2.7346 2.7346 3.0643 3.0643 3.2013 3.2013 3.6109 3.6109 4.3368 4.3368 5.2038 5.2038 5.5441 5.5441 6.5814 6.5814 8.6635 8.6635 9.3806 9.3806 10.4794 10.4794 k = 0.0000 0.0286-0.0000 ( 4481 PWs) bands (ev): -7.4538 -7.4538 -6.8277 -6.8277 0.5250 0.5250 1.1005 1.1005 1.1279 1.1279 1.1310 1.1310 1.3225 1.3225 1.5591 1.5591 2.0154 2.0154 2.4359 2.4359 2.6720 2.6720 2.7340 2.7340 3.0525 3.0525 3.2046 3.2046 3.6065 3.6065 4.3387 4.3387 5.1958 5.1958 5.5291 5.5291 6.6055 6.6055 8.6690 8.6690 9.3766 9.3766 10.4886 10.4886 k = 0.0000 0.0429-0.0000 ( 4481 PWs) bands (ev): -7.4514 -7.4514 -6.8283 -6.8283 0.5303 0.5303 1.1021 1.1021 1.1274 1.1274 1.1303 1.1303 1.3266 1.3266 1.5586 1.5586 2.0144 2.0144 2.4337 2.4337 2.6690 2.6690 2.7330 2.7330 3.0353 3.0353 3.2071 3.2071 3.6006 3.6006 4.3415 4.3415 5.1819 5.1819 5.5067 5.5067 6.6437 6.6437 8.6780 8.6780 9.3702 9.3702 10.5036 10.5036 k = 0.0000 0.0571-0.0000 ( 4481 PWs) bands (ev): -7.4482 -7.4482 -6.8291 -6.8291 0.5376 0.5376 1.1043 1.1043 1.1268 1.1268 1.1295 1.1295 1.3323 1.3323 1.5580 1.5580 2.0131 2.0131 2.4305 2.4305 2.6649 2.6649 2.7316 2.7316 3.0143 3.0143 3.2061 3.2061 3.5952 3.5952 4.3442 4.3442 5.1615 5.1615 5.4798 5.4798 6.6936 6.6936 8.6904 8.6904 9.3618 9.3618 10.5240 10.5240 k = 0.0000 0.0714-0.0000 ( 4473 PWs) bands (ev): -7.4440 -7.4440 -6.8302 -6.8302 0.5470 0.5470 1.1070 1.1070 1.1259 1.1259 1.1289 1.1289 1.3395 1.3395 1.5571 1.5571 2.0114 2.0114 2.4262 2.4262 2.6595 2.6595 2.7298 2.7298 2.9908 2.9908 3.1994 3.1994 3.5923 3.5923 4.3460 4.3460 5.1339 5.1339 5.4515 5.4515 6.7527 6.7527 8.7058 8.7058 9.3520 9.3520 10.5491 10.5491 k = 0.0000 0.0857-0.0000 ( 4469 PWs) bands (ev): -7.4389 -7.4389 -6.8316 -6.8316 0.5583 0.5583 1.1100 1.1100 1.1250 1.1250 1.1287 1.1287 1.3479 1.3479 1.5561 1.5561 2.0095 2.0095 2.4207 2.4207 2.6530 2.6530 2.7274 2.7274 2.9656 2.9656 3.1857 3.1857 3.5937 3.5937 4.3463 4.3463 5.0991 5.0991 5.4239 5.4239 6.8191 6.8191 8.7240 8.7240 9.3413 9.3413 10.5783 10.5783 k = 0.0000 0.1000-0.0000 ( 4467 PWs) bands (ev): -7.4329 -7.4329 -6.8332 -6.8332 0.5716 0.5716 1.1128 1.1128 1.1242 1.1242 1.1290 1.1290 1.3576 1.3576 1.5549 1.5549 2.0073 2.0073 2.4139 2.4139 2.6453 2.6453 2.7246 2.7246 2.9392 2.9392 3.1648 3.1648 3.6001 3.6001 4.3441 4.3441 5.0576 5.0576 5.3980 5.3980 6.8909 6.8909 8.7445 8.7445 9.3304 9.3304 10.6113 10.6113 k = 0.0000 0.1143-0.0000 ( 4473 PWs) bands (ev): -7.4261 -7.4261 -6.8351 -6.8351 0.5866 0.5866 1.1145 1.1145 1.1245 1.1245 1.1302 1.1302 1.3685 1.3685 1.5535 1.5535 2.0050 2.0050 2.4056 2.4056 2.6365 2.6365 2.7211 2.7211 2.9120 2.9120 3.1377 3.1377 3.6117 3.6117 4.3389 4.3389 5.0106 5.0106 5.3741 5.3741 6.9667 6.9667 8.7668 8.7668 9.3200 9.3200 10.6475 10.6475 k = 0.0000 0.1286-0.0000 ( 4471 PWs) bands (ev): -7.4184 -7.4184 -6.8374 -6.8374 0.6033 0.6033 1.1143 1.1143 1.1258 1.1258 1.1329 1.1329 1.3804 1.3804 1.5519 1.5519 2.0027 2.0027 2.3957 2.3957 2.6265 2.6265 2.7170 2.7170 2.8843 2.8843 3.1056 3.1056 3.6278 3.6278 4.3304 4.3304 4.9596 4.9596 5.3516 5.3516 7.0457 7.0457 8.7906 8.7906 9.3107 9.3107 10.6868 10.6868 k = 0.0000 0.1429-0.0000 ( 4469 PWs) bands (ev): -7.4099 -7.4099 -6.8399 -6.8399 0.6216 0.6216 1.1131 1.1131 1.1275 1.1275 1.1374 1.1374 1.3932 1.3932 1.5502 1.5502 2.0003 2.0003 2.3840 2.3840 2.6154 2.6154 2.7121 2.7121 2.8562 2.8562 3.0702 3.0702 3.6477 3.6477 4.3182 4.3182 4.9059 4.9059 5.3300 5.3300 7.1268 7.1268 8.8154 8.8154 9.3031 9.3031 10.7292 10.7292 k = 0.0000 0.1571-0.0000 ( 4475 PWs) bands (ev): -7.4007 -7.4007 -6.8428 -6.8428 0.6412 0.6412 1.1115 1.1115 1.1293 1.1293 1.1433 1.1433 1.4067 1.4067 1.5484 1.5484 1.9980 1.9980 2.3703 2.3703 2.6031 2.6031 2.7063 2.7063 2.8281 2.8281 3.0327 3.0327 3.6707 3.6707 4.3023 4.3023 4.8507 4.8507 5.3085 5.3085 7.2095 7.2095 8.8407 8.8407 9.2978 9.2978 10.7747 10.7747 k = 0.0000 0.1714-0.0000 ( 4477 PWs) bands (ev): -7.3906 -7.3906 -6.8460 -6.8460 0.6619 0.6619 1.1100 1.1100 1.1313 1.1313 1.1501 1.1501 1.4209 1.4209 1.5465 1.5465 1.9959 1.9959 2.3546 2.3546 2.5898 2.5898 2.6997 2.6997 2.8002 2.8002 2.9945 2.9945 3.6961 3.6961 4.2829 4.2829 4.7951 4.7951 5.2866 5.2866 7.2933 7.2933 8.8660 8.8660 9.2952 9.2952 10.8232 10.8232 k = 0.0000 0.1857-0.0000 ( 4483 PWs) bands (ev): -7.3799 -7.3799 -6.8497 -6.8497 0.6835 0.6835 1.1086 1.1086 1.1338 1.1338 1.1579 1.1579 1.4355 1.4355 1.5447 1.5447 1.9940 1.9940 2.3369 2.3369 2.5754 2.5754 2.6919 2.6919 2.7726 2.7726 2.9564 2.9564 3.7234 3.7234 4.2602 4.2602 4.7396 4.7396 5.2641 5.2641 7.3778 7.3778 8.8910 8.8910 9.2958 9.2958 10.8748 10.8748 k = 0.0000 0.2000-0.0000 ( 4485 PWs) bands (ev): -7.3685 -7.3685 -6.8537 -6.8537 0.7056 0.7056 1.1075 1.1075 1.1367 1.1367 1.1666 1.1666 1.4501 1.4501 1.5432 1.5432 1.9924 1.9924 2.3173 2.3173 2.5600 2.5600 2.6829 2.6829 2.7457 2.7457 2.9192 2.9192 3.7523 3.7523 4.2346 4.2346 4.6846 4.6846 5.2405 5.2405 7.4626 7.4626 8.9153 8.9153 9.2999 9.2999 10.9294 10.9294 k = 0.0000 0.2143-0.0000 ( 4489 PWs) bands (ev): -7.3564 -7.3564 -6.8581 -6.8581 0.7280 0.7280 1.1067 1.1067 1.1400 1.1400 1.1765 1.1765 1.4643 1.4643 1.5425 1.5425 1.9912 1.9912 2.2959 2.2959 2.5435 2.5435 2.6724 2.6724 2.7197 2.7197 2.8833 2.8833 3.7824 3.7824 4.2066 4.2066 4.6306 4.6306 5.2159 5.2159 7.5474 7.5474 8.9386 8.9386 9.3077 9.3077 10.9869 10.9869 k = 0.0000 0.2286-0.0000 ( 4499 PWs) bands (ev): -7.3437 -7.3437 -6.8630 -6.8630 0.7501 0.7501 1.1062 1.1062 1.1439 1.1439 1.1878 1.1878 1.4768 1.4768 1.5436 1.5436 1.9903 1.9903 2.2731 2.2731 2.5261 2.5261 2.6603 2.6603 2.6946 2.6946 2.8490 2.8490 3.8135 3.8135 4.1771 4.1771 4.5774 4.5774 5.1900 5.1900 7.6321 7.6321 8.9607 8.9607 9.3193 9.3193 11.0472 11.0472 k = 0.0000 0.2429-0.0000 ( 4507 PWs) bands (ev): -7.3304 -7.3304 -6.8683 -6.8683 0.7716 0.7716 1.1059 1.1059 1.1484 1.1484 1.2009 1.2009 1.4862 1.4862 1.5479 1.5479 1.9897 1.9897 2.2495 2.2495 2.5078 2.5078 2.6462 2.6462 2.6709 2.6709 2.8165 2.8165 3.8453 3.8453 4.1466 4.1466 4.5253 4.5253 5.1629 5.1629 7.7163 7.7163 8.9815 8.9815 9.3347 9.3347 11.1098 11.1098 k = 0.0000 0.2571-0.0000 ( 4503 PWs) bands (ev): -7.3167 -7.3167 -6.8741 -6.8741 0.7921 0.7921 1.1055 1.1055 1.1536 1.1536 1.2162 1.2162 1.4911 1.4911 1.5568 1.5568 1.9893 1.9893 2.2258 2.2258 2.4887 2.4887 2.6297 2.6297 2.6487 2.6487 2.7858 2.7858 3.8774 3.8774 4.1162 4.1162 4.4743 4.4743 5.1347 5.1347 7.8000 7.8000 9.0009 9.0009 9.3539 9.3539 11.1741 11.1741 k = 0.0000 0.2714-0.0000 ( 4511 PWs) bands (ev): -7.3024 -7.3024 -6.8803 -6.8803 0.8112 0.8112 1.1047 1.1047 1.1594 1.1594 1.2342 1.2342 1.4916 1.4916 1.5698 1.5698 1.9889 1.9889 2.2027 2.2027 2.4689 2.4689 2.6108 2.6108 2.6280 2.6280 2.7569 2.7569 3.9092 3.9092 4.0870 4.0870 4.4243 4.4243 5.1053 5.1053 7.8828 7.8828 9.0186 9.0186 9.3769 9.3769 11.2375 11.2375 k = 0.0000 0.2857-0.0000 ( 4511 PWs) bands (ev): -7.2878 -7.2878 -6.8871 -6.8871 0.8285 0.8285 1.1034 1.1034 1.1660 1.1660 1.2552 1.2552 1.4890 1.4890 1.5859 1.5859 1.9881 1.9881 2.1812 2.1812 2.4483 2.4483 2.5901 2.5901 2.6081 2.6081 2.7295 2.7295 3.9388 3.9388 4.0614 4.0614 4.3754 4.3754 5.0748 5.0748 7.9647 7.9647 9.0348 9.0348 9.4035 9.4035 11.2861 11.2861 k = 0.0000 0.3000-0.0000 ( 4501 PWs) bands (ev): -7.2727 -7.2727 -6.8944 -6.8944 0.8441 0.8441 1.1011 1.1011 1.1734 1.1734 1.2794 1.2794 1.4844 1.4844 1.6037 1.6037 1.9865 1.9865 2.1623 2.1623 2.4273 2.4273 2.5684 2.5684 2.5884 2.5884 2.7035 2.7035 3.9604 3.9604 4.0456 4.0456 4.3277 4.3277 5.0433 5.0433 8.0453 8.0453 9.0491 9.0491 9.4337 9.4337 11.2699 11.2699 k = 0.0000 0.3143-0.0000 ( 4491 PWs) bands (ev): -7.2574 -7.2574 -6.9022 -6.9022 0.8578 0.8578 1.0978 1.0978 1.1814 1.1814 1.3069 1.3069 1.4784 1.4784 1.6225 1.6225 1.9835 1.9835 2.1469 2.1469 2.4056 2.4056 2.5462 2.5462 2.5684 2.5684 2.6785 2.6785 3.9624 3.9624 4.0517 4.0517 4.2814 4.2814 5.0109 5.0109 8.1247 8.1247 9.0614 9.0614 9.4674 9.4674 11.2099 11.2099 k = 0.0000 0.3286-0.0000 ( 4491 PWs) bands (ev): -7.2417 -7.2417 -6.9106 -6.9106 0.8699 0.8699 1.0933 1.0933 1.1901 1.1901 1.3374 1.3374 1.4716 1.4716 1.6418 1.6418 1.9787 1.9787 2.1356 2.1356 2.3835 2.3835 2.5237 2.5237 2.5482 2.5482 2.6543 2.6543 3.9479 3.9479 4.0766 4.0766 4.2368 4.2368 4.9776 4.9776 8.2024 8.2024 9.0714 9.0714 9.5044 9.5044 11.1392 11.1392 k = 0.0000 0.3429-0.0000 ( 4490 PWs) bands (ev): -7.2259 -7.2259 -6.9195 -6.9195 0.8806 0.8806 1.0876 1.0876 1.1994 1.1994 1.3701 1.3701 1.4646 1.4646 1.6615 1.6615 1.9719 1.9719 2.1288 2.1288 2.3611 2.3611 2.5010 2.5010 2.5282 2.5282 2.6306 2.6306 3.9290 3.9290 4.1081 4.1081 4.1947 4.1947 4.9435 4.9435 8.2783 8.2783 9.0790 9.0790 9.5449 9.5449 11.0637 11.0637 k = 0.0000 0.3571-0.0000 ( 4490 PWs) bands (ev): -7.2099 -7.2099 -6.9290 -6.9290 0.8901 0.8901 1.0807 1.0807 1.2093 1.2093 1.4028 1.4028 1.4595 1.4595 1.6812 1.6812 1.9637 1.9637 2.1258 2.1258 2.3386 2.3386 2.4782 2.4782 2.5086 2.5086 2.6072 2.6072 3.9104 3.9104 4.1333 4.1333 4.1635 4.1635 4.9087 4.9087 8.3523 8.3523 9.0839 9.0839 9.5887 9.5887 10.9855 10.9855 k = 0.0000 0.3714-0.0000 ( 4490 PWs) bands (ev): -7.1938 -7.1938 -6.9390 -6.9390 0.8989 0.8989 1.0727 1.0727 1.2196 1.2196 1.4241 1.4241 1.4670 1.4670 1.7007 1.7007 1.9545 1.9545 2.1256 2.1256 2.3163 2.3163 2.4556 2.4556 2.4898 2.4898 2.5841 2.5841 3.8937 3.8937 4.1081 4.1081 4.1860 4.1860 4.8732 4.8732 8.4239 8.4239 9.0857 9.0857 9.6358 9.6358 10.9056 10.9056 k = 0.0000 0.3857-0.0000 ( 4486 PWs) bands (ev): -7.1776 -7.1776 -6.9496 -6.9496 0.9071 0.9071 1.0637 1.0637 1.2305 1.2305 1.4233 1.4233 1.4976 1.4976 1.7198 1.7198 1.9454 1.9454 2.1266 2.1266 2.2950 2.2950 2.4334 2.4334 2.4721 2.4721 2.5613 2.5613 3.8795 3.8795 4.0724 4.0724 4.2222 4.2222 4.8370 4.8370 8.4930 8.4930 9.0841 9.0841 9.6861 9.6861 10.8246 10.8246 k = 0.0000 0.4000-0.0000 ( 4480 PWs) bands (ev): -7.1615 -7.1615 -6.9607 -6.9607 0.9152 0.9152 1.0540 1.0540 1.2417 1.2417 1.4146 1.4146 1.5363 1.5363 1.7381 1.7381 1.9369 1.9369 2.1263 2.1263 2.2760 2.2760 2.4121 2.4121 2.4558 2.4558 2.5389 2.5389 3.8682 3.8682 4.0382 4.0382 4.2599 4.2599 4.8003 4.8003 8.5594 8.5594 9.0790 9.0790 9.7396 9.7396 10.7431 10.7431 k = 0.0000 0.4143-0.0000 ( 4480 PWs) bands (ev): -7.1454 -7.1454 -6.9723 -6.9723 0.9232 0.9232 1.0435 1.0435 1.2534 1.2534 1.4039 1.4039 1.5767 1.5767 1.7552 1.7552 1.9298 1.9298 2.1219 2.1219 2.2616 2.2616 2.3917 2.3917 2.4415 2.4415 2.5171 2.5171 3.8599 3.8599 4.0064 4.0064 4.2982 4.2982 4.7632 4.7632 8.6227 8.6227 9.0700 9.0700 9.7961 9.7961 10.6616 10.6616 k = 0.0000 0.4286-0.0000 ( 4488 PWs) bands (ev): -7.1293 -7.1293 -6.9845 -6.9845 0.9313 0.9313 1.0327 1.0327 1.2653 1.2653 1.3923 1.3923 1.6170 1.6170 1.7703 1.7703 1.9251 1.9251 2.1106 2.1106 2.2541 2.2541 2.3726 2.3726 2.4295 2.4295 2.4962 2.4962 3.8547 3.8547 3.9772 3.9772 4.3369 4.3369 4.7255 4.7255 8.6828 8.6828 9.0568 9.0568 9.8556 9.8556 10.5806 10.5806 k = 0.0000 0.4429-0.0000 ( 4492 PWs) bands (ev): -7.1135 -7.1135 -6.9972 -6.9972 0.9397 0.9397 1.0216 1.0216 1.2776 1.2776 1.3801 1.3801 1.6557 1.6557 1.7821 1.7821 1.9240 1.9240 2.0917 2.0917 2.2540 2.2540 2.3547 2.3547 2.4204 2.4204 2.4766 2.4766 3.8526 3.8526 3.9510 3.9510 4.3758 4.3758 4.6875 4.6875 8.7392 8.7392 9.0394 9.0394 9.9180 9.9180 10.5004 10.5004 k = 0.0000 0.4571-0.0000 ( 4498 PWs) bands (ev): -7.0978 -7.0978 -7.0103 -7.0103 0.9486 0.9486 1.0104 1.0104 1.2901 1.2901 1.3675 1.3675 1.6916 1.6916 1.7892 1.7892 1.9282 1.9282 2.0668 2.0668 2.2597 2.2597 2.3381 2.3381 2.4146 2.4146 2.4586 2.4586 3.8537 3.8537 3.9277 3.9277 4.4150 4.4150 4.6491 4.6491 8.7918 8.7918 9.0176 9.0176 9.9830 9.9830 10.4212 10.4212 k = 0.0000 0.4714-0.0000 ( 4506 PWs) bands (ev): -7.0824 -7.0824 -7.0240 -7.0240 0.9579 0.9579 0.9992 0.9992 1.3028 1.3028 1.3547 1.3547 1.7233 1.7233 1.7898 1.7898 1.9393 1.9393 2.0385 2.0385 2.2692 2.2692 2.3225 2.3225 2.4125 2.4125 2.4428 2.4428 3.8581 3.8581 3.9074 3.9074 4.4542 4.4542 4.6105 4.6105 8.8405 8.8405 8.9912 8.9912 10.0506 10.0506 10.3434 10.3434 k = 0.0000 0.4857-0.0000 ( 4504 PWs) bands (ev): -7.0673 -7.0673 -7.0380 -7.0380 0.9676 0.9676 0.9883 0.9883 1.3157 1.3157 1.3417 1.3417 1.7497 1.7497 1.7834 1.7834 1.9575 1.9575 2.0093 2.0093 2.2810 2.2810 2.3079 2.3079 2.4144 2.4144 2.4299 2.4299 3.8656 3.8656 3.8903 3.8903 4.4934 4.4934 4.5716 4.5716 8.8848 8.8848 8.9603 8.9603 10.1207 10.1207 10.2673 10.2673 k = 0.0000 0.5000-0.0000 ( 4510 PWs) bands (ev): -7.0524 -7.0524 -7.0524 -7.0524 0.9778 0.9778 0.9778 0.9778 1.3287 1.3287 1.3287 1.3287 1.7698 1.7698 1.7698 1.7698 1.9815 1.9815 1.9815 1.9815 2.2940 2.2940 2.2940 2.2940 2.4202 2.4202 2.4202 2.4202 3.8764 3.8764 3.8764 3.8764 4.5325 4.5325 4.5325 4.5325 8.9248 8.9248 8.9248 8.9248 10.1929 10.1929 10.1929 10.1929 k = 0.0000 0.5000-0.0000 ( 4510 PWs) bands (ev): -7.0524 -7.0524 -7.0524 -7.0524 0.9778 0.9778 0.9778 0.9778 1.3287 1.3287 1.3287 1.3287 1.7698 1.7698 1.7698 1.7698 1.9815 1.9815 1.9815 1.9815 2.2940 2.2940 2.2940 2.2940 2.4202 2.4202 2.4202 2.4202 3.8764 3.8764 3.8764 3.8764 4.5325 4.5325 4.5325 4.5325 8.9248 8.9248 8.9248 8.9248 10.1929 10.1929 10.1929 10.1929 k = 0.0143 0.5000-0.0000 ( 4500 PWs) bands (ev): -7.0523 -7.0523 -7.0522 -7.0522 0.9768 0.9768 0.9776 0.9776 1.3275 1.3275 1.3290 1.3290 1.7563 1.7563 1.7841 1.7841 1.9630 1.9630 2.0004 2.0004 2.2942 2.2942 2.2953 2.2953 2.4168 2.4168 2.4248 2.4248 3.8712 3.8712 3.8811 3.8811 4.5265 4.5265 4.5337 4.5337 8.9186 8.9186 8.9300 8.9300 10.1937 10.1937 10.2010 10.2010 k = 0.0286 0.5000-0.0000 ( 4504 PWs) bands (ev): -7.0517 -7.0517 -7.0515 -7.0515 0.9747 0.9747 0.9763 0.9763 1.3255 1.3255 1.3281 1.3281 1.7440 1.7440 1.7981 1.7981 1.9459 1.9459 2.0190 2.0190 2.2954 2.2954 2.2981 2.2981 2.4146 2.4146 2.4305 2.4305 3.8656 3.8656 3.8853 3.8853 4.5156 4.5156 4.5299 4.5299 8.9115 8.9115 8.9339 8.9339 10.2035 10.2035 10.2176 10.2176 k = 0.0429 0.5000-0.0000 ( 4512 PWs) bands (ev): -7.0508 -7.0508 -7.0504 -7.0504 0.9714 0.9714 0.9736 0.9736 1.3232 1.3232 1.3260 1.3260 1.7331 1.7331 1.8102 1.8102 1.9319 1.9319 2.0368 2.0368 2.2973 2.2973 2.3023 2.3023 2.4141 2.4141 2.4375 2.4375 3.8595 3.8595 3.8890 3.8890 4.5001 4.5001 4.5214 4.5214 8.9034 8.9034 8.9362 8.9362 10.2225 10.2225 10.2424 10.2424 k = 0.0571 0.5000-0.0000 ( 4500 PWs) bands (ev): -7.0494 -7.0494 -7.0490 -7.0490 0.9671 0.9671 0.9696 0.9696 1.3207 1.3207 1.3230 1.3230 1.7236 1.7236 1.8177 1.8177 1.9237 1.9237 2.0536 2.0536 2.2996 2.2996 2.3073 2.3073 2.4161 2.4161 2.4462 2.4462 3.8530 3.8530 3.8921 3.8921 4.4803 4.4803 4.5084 4.5084 8.8943 8.8943 8.9364 8.9364 10.2503 10.2503 10.2746 10.2746 k = 0.0714 0.5000-0.0000 ( 4488 PWs) bands (ev): -7.0477 -7.0477 -7.0471 -7.0471 0.9615 0.9615 0.9641 0.9641 1.3186 1.3186 1.3192 1.3192 1.7156 1.7156 1.8177 1.8177 1.9239 1.9239 2.0692 2.0692 2.3019 2.3019 2.3120 2.3120 2.4218 2.4218 2.4567 2.4567 3.8461 3.8461 3.8947 3.8947 4.4565 4.4565 4.4911 4.4911 8.8839 8.8839 8.9341 8.9341 10.2866 10.2866 10.3134 10.3134 k = 0.0857 0.5000-0.0000 ( 4484 PWs) bands (ev): -7.0456 -7.0456 -7.0449 -7.0449 0.9546 0.9546 0.9569 0.9569 1.3148 1.3148 1.3171 1.3171 1.7087 1.7087 1.8102 1.8102 1.9322 1.9322 2.0836 2.0836 2.3038 2.3038 2.3152 2.3152 2.4322 2.4322 2.4692 2.4692 3.8387 3.8387 3.8966 3.8966 4.4291 4.4291 4.4699 4.4699 8.8720 8.8720 8.9289 8.9289 10.3300 10.3300 10.3571 10.3571 k = 0.1000 0.5000-0.0000 ( 4488 PWs) bands (ev): -7.0431 -7.0431 -7.0423 -7.0423 0.9464 0.9464 0.9482 0.9482 1.3104 1.3104 1.3165 1.3165 1.7029 1.7029 1.7980 1.7980 1.9455 1.9455 2.0966 2.0966 2.3055 2.3055 2.3161 2.3161 2.4479 2.4479 2.4837 2.4837 3.8308 3.8308 3.8978 3.8978 4.3986 4.3986 4.4453 4.4453 8.8583 8.8583 8.9207 8.9207 10.3782 10.3782 10.4027 10.4027 k = 0.1143 0.5000-0.0000 ( 4484 PWs) bands (ev): -7.0403 -7.0403 -7.0394 -7.0394 0.9368 0.9368 0.9378 0.9378 1.3061 1.3061 1.3170 1.3170 1.6979 1.6979 1.7836 1.7836 1.9609 1.9609 2.1085 2.1085 2.3071 2.3071 2.3150 2.3150 2.4686 2.4686 2.5005 2.5005 3.8225 3.8225 3.8982 3.8982 4.3656 4.3656 4.4176 4.4176 8.8428 8.8428 8.9094 8.9094 10.4269 10.4269 10.4454 10.4454 k = 0.1286 0.5000-0.0000 ( 4478 PWs) bands (ev): -7.0371 -7.0371 -7.0361 -7.0361 0.9258 0.9258 0.9258 0.9258 1.3024 1.3024 1.3186 1.3186 1.6935 1.6935 1.7685 1.7685 1.9766 1.9766 2.1193 2.1193 2.3088 2.3088 2.3124 2.3124 2.4937 2.4937 2.5194 2.5194 3.8137 3.8137 3.8976 3.8976 4.3306 4.3306 4.3874 4.3874 8.8253 8.8253 8.8949 8.8949 10.4681 10.4681 10.4778 10.4778 k = 0.1429 0.5000-0.0000 ( 4478 PWs) bands (ev): -7.0337 -7.0337 -7.0326 -7.0326 0.9124 0.9124 0.9135 0.9135 1.2994 1.2994 1.3215 1.3215 1.6895 1.6895 1.7535 1.7535 1.9911 1.9911 2.1287 2.1287 2.3091 2.3091 2.3112 2.3112 2.5223 2.5223 2.5402 2.5402 3.8045 3.8045 3.8959 3.8959 4.2943 4.2943 4.3550 4.3550 8.8059 8.8059 8.8775 8.8775 10.4891 10.4891 10.4893 10.4893 k = 0.1571 0.5000-0.0000 ( 4462 PWs) bands (ev): -7.0300 -7.0300 -7.0288 -7.0288 0.8977 0.8977 0.8998 0.8998 1.2973 1.2973 1.3255 1.3255 1.6859 1.6859 1.7391 1.7391 2.0036 2.0036 2.1365 2.1365 2.3059 2.3059 2.3147 2.3147 2.5537 2.5537 2.5630 2.5630 3.7948 3.7948 3.8930 3.8930 4.2572 4.2572 4.3211 4.3211 8.7847 8.7847 8.8574 8.8574 10.4699 10.4699 10.4762 10.4762 k = 0.1714 0.5000-0.0000 ( 4458 PWs) bands (ev): -7.0260 -7.0260 -7.0248 -7.0248 0.8819 0.8819 0.8850 0.8850 1.2963 1.2963 1.3305 1.3305 1.6825 1.6825 1.7256 1.7256 2.0134 2.0134 2.1423 2.1423 2.3038 2.3038 2.3196 2.3196 2.5873 2.5873 2.5875 2.5875 3.7846 3.7846 3.8884 3.8884 4.2201 4.2201 4.2859 4.2859 8.7618 8.7618 8.8351 8.8351 10.4182 10.4182 10.4238 10.4238 k = 0.1857 0.5000-0.0000 ( 4466 PWs) bands (ev): -7.0219 -7.0219 -7.0206 -7.0206 0.8652 0.8652 0.8691 0.8691 1.2962 1.2962 1.3363 1.3363 1.6793 1.6793 1.7131 1.7131 2.0200 2.0200 2.1457 2.1457 2.3033 2.3033 2.3264 2.3264 2.6136 2.6136 2.6226 2.6226 3.7740 3.7740 3.8819 3.8819 4.1836 4.1836 4.2499 4.2499 8.7376 8.7376 8.8108 8.8108 10.3405 10.3405 10.3409 10.3409 k = 0.2000 0.5000-0.0000 ( 4464 PWs) bands (ev): -7.0175 -7.0175 -7.0162 -7.0162 0.8478 0.8478 0.8524 0.8524 1.2971 1.2971 1.3427 1.3427 1.6762 1.6762 1.7019 1.7019 2.0232 2.0232 2.1463 2.1463 2.3051 2.3051 2.3351 2.3351 2.6412 2.6412 2.6593 2.6593 3.7629 3.7629 3.8731 3.8731 4.1485 4.1485 4.2134 4.2134 8.7122 8.7122 8.7850 8.7850 10.2400 10.2400 10.2461 10.2461 k = 0.2143 0.5000-0.0000 ( 4460 PWs) bands (ev): -7.0131 -7.0131 -7.0117 -7.0117 0.8299 0.8299 0.8350 0.8350 1.2990 1.2990 1.3496 1.3496 1.6732 1.6732 1.6920 1.6920 2.0233 2.0233 2.1442 2.1442 2.3094 2.3094 2.3457 2.3457 2.6703 2.6703 2.6970 2.6970 3.7514 3.7514 3.8615 3.8615 4.1156 4.1156 4.1769 4.1769 8.6861 8.6861 8.7582 8.7582 10.1301 10.1301 10.1426 10.1426 k = 0.2286 0.5000-0.0000 ( 4466 PWs) bands (ev): -7.0085 -7.0085 -7.0071 -7.0071 0.8116 0.8116 0.8171 0.8171 1.3017 1.3017 1.3566 1.3566 1.6703 1.6703 1.6834 1.6834 2.0205 2.0205 2.1395 2.1395 2.3161 2.3161 2.3578 2.3578 2.7006 2.7006 2.7354 2.7354 3.7395 3.7395 3.8466 3.8466 4.0856 4.0856 4.1406 4.1406 8.6595 8.6595 8.7307 8.7307 10.0165 10.0165 10.0348 10.0348 k = 0.2429 0.5000-0.0000 ( 4474 PWs) bands (ev): -7.0038 -7.0038 -7.0024 -7.0024 0.7933 0.7933 0.7990 0.7990 1.3051 1.3051 1.3636 1.3636 1.6673 1.6673 1.6763 1.6763 2.0152 2.0152 2.1327 2.1327 2.3248 2.3248 2.3711 2.3711 2.7320 2.7320 2.7743 2.7743 3.7272 3.7272 3.8282 3.8282 4.0589 4.0589 4.1048 4.1048 8.6329 8.6329 8.7031 8.7031 9.9024 9.9024 9.9258 9.9258 k = 0.2571 0.5000-0.0000 ( 4466 PWs) bands (ev): -6.9991 -6.9991 -6.9977 -6.9977 0.7751 0.7751 0.7809 0.7809 1.3092 1.3092 1.3703 1.3703 1.6644 1.6644 1.6705 1.6705 2.0081 2.0081 2.1244 2.1244 2.3351 2.3351 2.3851 2.3851 2.7646 2.7646 2.8135 2.8135 3.7144 3.7144 3.8063 3.8063 4.0358 4.0358 4.0696 4.0696 8.6066 8.6066 8.6757 8.6757 9.7896 9.7896 9.8173 9.8173 k = 0.2714 0.5000-0.0000 ( 4466 PWs) bands (ev): -6.9944 -6.9944 -6.9930 -6.9930 0.7571 0.7571 0.7629 0.7629 1.3138 1.3138 1.3766 1.3766 1.6613 1.6613 1.6661 1.6661 1.9997 1.9997 2.1152 2.1152 2.3466 2.3466 2.3996 2.3996 2.7980 2.7980 2.8527 2.8527 3.7014 3.7014 3.7814 3.7814 4.0159 4.0159 4.0355 4.0355 8.5809 8.5809 8.6490 8.6490 9.6792 9.6792 9.7107 9.7107 k = 0.2857 0.5000-0.0000 ( 4462 PWs) bands (ev): -6.9897 -6.9897 -6.9883 -6.9883 0.7394 0.7394 0.7451 0.7451 1.3189 1.3189 1.3824 1.3824 1.6581 1.6581 1.6627 1.6627 1.9906 1.9906 2.1053 2.1053 2.3590 2.3590 2.4140 2.4140 2.8323 2.8323 2.8918 2.8918 3.6879 3.6879 3.7541 3.7541 3.9987 3.9987 4.0025 4.0025 8.5563 8.5563 8.6233 8.6233 9.5719 9.5719 9.6069 9.6069 k = 0.3000 0.5000-0.0000 ( 4468 PWs) bands (ev): -6.9851 -6.9851 -6.9838 -6.9838 0.7223 0.7223 0.7278 0.7278 1.3243 1.3243 1.3875 1.3875 1.6547 1.6547 1.6603 1.6603 1.9813 1.9813 2.0953 2.0953 2.3718 2.3718 2.4282 2.4282 2.8672 2.8672 2.9304 2.9304 3.6741 3.6741 3.7251 3.7251 3.9708 3.9708 3.9835 3.9835 8.5331 8.5331 8.5990 8.5990 9.4685 9.4685 9.5064 9.5064 k = 0.3143 0.5000-0.0000 ( 4460 PWs) bands (ev): -6.9806 -6.9806 -6.9793 -6.9793 0.7058 0.7058 0.7111 0.7111 1.3301 1.3301 1.3920 1.3920 1.6511 1.6511 1.6585 1.6585 1.9724 1.9724 2.0853 2.0853 2.3848 2.3848 2.4418 2.4418 2.9026 2.9026 2.9686 2.9686 3.6598 3.6598 3.6953 3.6953 3.9408 3.9408 3.9698 3.9698 8.5117 8.5117 8.5765 8.5765 9.3691 9.3691 9.4097 9.4097 k = 0.3286 0.5000-0.0000 ( 4464 PWs) bands (ev): -6.9763 -6.9763 -6.9750 -6.9750 0.6901 0.6901 0.6951 0.6951 1.3361 1.3361 1.3958 1.3958 1.6472 1.6472 1.6569 1.6569 1.9643 1.9643 2.0755 2.0755 2.3979 2.3979 2.4547 2.4547 2.9384 2.9384 3.0058 3.0058 3.6451 3.6451 3.6652 3.6652 3.9127 3.9127 3.9569 3.9569 8.4923 8.4923 8.5561 8.5561 9.2742 9.2742 9.3172 9.3172 k = 0.3429 0.5000-0.0000 ( 4468 PWs) bands (ev): -6.9722 -6.9722 -6.9710 -6.9710 0.6752 0.6752 0.6799 0.6799 1.3423 1.3423 1.3990 1.3990 1.6431 1.6431 1.6553 1.6553 1.9574 1.9574 2.0661 2.0661 2.4109 2.4109 2.4667 2.4667 2.9745 2.9745 3.0421 3.0421 3.6297 3.6297 3.6353 3.6353 3.8867 3.8867 3.9445 3.9445 8.4754 8.4754 8.5382 8.5382 9.1841 9.1841 9.2291 9.2291 k = 0.3571 0.5000-0.0000 ( 4464 PWs) bands (ev): -6.9682 -6.9682 -6.9671 -6.9671 0.6613 0.6613 0.6656 0.6656 1.3486 1.3486 1.4017 1.4017 1.6388 1.6388 1.6533 1.6533 1.9521 1.9521 2.0572 2.0572 2.4237 2.4237 2.4776 2.4776 3.0107 3.0107 3.0772 3.0772 3.6060 3.6060 3.6135 3.6135 3.8632 3.8632 3.9323 3.9323 8.4612 8.4612 8.5231 8.5231 9.0989 9.0989 9.1457 9.1457 k = 0.3714 0.5000-0.0000 ( 4456 PWs) bands (ev): -6.9646 -6.9646 -6.9635 -6.9635 0.6485 0.6485 0.6524 0.6524 1.3551 1.3551 1.4039 1.4039 1.6344 1.6344 1.6507 1.6507 1.9487 1.9487 2.0487 2.0487 2.4361 2.4361 2.4874 2.4874 3.0470 3.0470 3.1110 3.1110 3.5775 3.5775 3.5962 3.5962 3.8427 3.8427 3.9201 3.9201 8.4499 8.4499 8.5110 8.5110 9.0187 9.0187 9.0672 9.0672 k = 0.3857 0.5000-0.0000 ( 4460 PWs) bands (ev): -6.9612 -6.9612 -6.9602 -6.9602 0.6368 0.6368 0.6403 0.6403 1.3615 1.3615 1.4057 1.4057 1.6300 1.6300 1.6473 1.6473 1.9471 1.9471 2.0407 2.0407 2.4480 2.4480 2.4960 2.4960 3.0831 3.0831 3.1432 3.1432 3.5499 3.5499 3.5776 3.5776 3.8253 3.8253 3.9077 3.9077 8.4420 8.4420 8.5022 8.5022 8.9439 8.9439 8.9936 8.9936 k = 0.4000 0.5000-0.0000 ( 4452 PWs) bands (ev): -6.9581 -6.9581 -6.9573 -6.9573 0.6263 0.6263 0.6294 0.6294 1.3679 1.3679 1.4071 1.4071 1.6257 1.6257 1.6432 1.6432 1.9474 1.9474 2.0330 2.0330 2.4594 2.4594 2.5032 2.5032 3.1189 3.1189 3.1738 3.1738 3.5236 3.5236 3.5576 3.5576 3.8116 3.8116 3.8951 3.8951 8.4376 8.4376 8.4970 8.4970 8.8744 8.8744 8.9252 8.9252 k = 0.4143 0.5000-0.0000 ( 4456 PWs) bands (ev): -6.9554 -6.9554 -6.9547 -6.9547 0.6172 0.6172 0.6198 0.6198 1.3741 1.3741 1.4080 1.4080 1.6217 1.6217 1.6385 1.6385 1.9494 1.9494 2.0256 2.0256 2.4700 2.4700 2.5090 2.5090 3.1543 3.1543 3.2025 3.2025 3.4983 3.4983 3.5360 3.5360 3.8015 3.8015 3.8824 3.8824 8.4370 8.4370 8.4955 8.4955 8.8104 8.8104 8.8620 8.8620 k = 0.4286 0.5000-0.0000 ( 4460 PWs) bands (ev): -6.9530 -6.9530 -6.9524 -6.9524 0.6093 0.6093 0.6115 0.6115 1.3801 1.3801 1.4086 1.4086 1.6182 1.6182 1.6334 1.6334 1.9528 1.9528 2.0183 2.0183 2.4798 2.4798 2.5134 2.5134 3.1890 3.1890 3.2294 3.2294 3.4744 3.4744 3.5128 3.5128 3.7953 3.7953 3.8696 3.8696 8.4404 8.4404 8.4979 8.4979 8.7522 8.7522 8.8042 8.8042 k = 0.4429 0.5000-0.0000 ( 4466 PWs) bands (ev): -6.9511 -6.9511 -6.9506 -6.9506 0.6029 0.6029 0.6047 0.6047 1.3858 1.3858 1.4087 1.4087 1.6153 1.6153 1.6283 1.6283 1.9575 1.9575 2.0112 2.0112 2.4887 2.4887 2.5163 2.5163 3.2228 3.2228 3.2545 3.2545 3.4519 3.4519 3.4883 3.4883 3.7926 3.7926 3.8568 3.8568 8.4479 8.4479 8.5040 8.5040 8.6999 8.6999 8.7519 8.7519 k = 0.4571 0.5000-0.0000 ( 4456 PWs) bands (ev): -6.9495 -6.9495 -6.9491 -6.9491 0.5979 0.5979 0.5992 0.5992 1.3910 1.3910 1.4082 1.4082 1.6132 1.6132 1.6235 1.6235 1.9631 1.9631 2.0041 2.0041 2.4966 2.4966 2.5178 2.5178 3.2552 3.2552 3.2774 3.2774 3.4310 3.4310 3.4628 3.4628 3.7933 3.7933 3.8443 3.8443 8.4596 8.4596 8.5134 8.5134 8.6543 8.6543 8.7052 8.7052 k = 0.4714 0.5000-0.0000 ( 4456 PWs) bands (ev): -6.9484 -6.9484 -6.9481 -6.9481 0.5943 0.5943 0.5952 0.5952 1.3956 1.3956 1.4071 1.4071 1.6122 1.6122 1.6193 1.6193 1.9694 1.9694 1.9971 1.9971 2.5034 2.5034 2.5177 2.5177 3.2850 3.2850 3.2978 3.2978 3.4126 3.4126 3.4373 3.4373 3.7969 3.7969 3.8324 3.8324 8.4754 8.4754 8.5239 8.5239 8.6177 8.6177 8.6644 8.6644 k = 0.4857 0.5000-0.0000 ( 4476 PWs) bands (ev): -6.9477 -6.9477 -6.9475 -6.9475 0.5923 0.5923 0.5927 0.5927 1.3996 1.3996 1.4054 1.4054 1.6122 1.6122 1.6158 1.6158 1.9760 1.9760 1.9900 1.9900 2.5089 2.5089 2.5161 2.5161 3.3091 3.3091 3.3139 3.3139 3.3994 3.3994 3.4139 3.4139 3.8031 3.8031 3.8213 3.8213 8.4946 8.4946 8.5278 8.5278 8.5980 8.5980 8.6302 8.6302 k = 0.5000 0.5000-0.0000 ( 4484 PWs) bands (ev): -6.9474 -6.9474 -6.9474 -6.9474 0.5917 0.5917 0.5917 0.5917 1.4028 1.4028 1.4028 1.4028 1.6135 1.6135 1.6135 1.6135 1.9829 1.9829 1.9829 1.9829 2.5132 2.5132 2.5132 2.5132 3.3201 3.3201 3.3201 3.3201 3.3986 3.3986 3.3986 3.3986 3.8114 3.8114 3.8114 3.8114 8.5150 8.5150 8.5150 8.5150 8.6052 8.6052 8.6052 8.6052 k = 0.5000 0.5000-0.0000 ( 4484 PWs) bands (ev): -6.9474 -6.9474 -6.9474 -6.9474 0.5917 0.5917 0.5917 0.5917 1.4028 1.4028 1.4028 1.4028 1.6135 1.6135 1.6135 1.6135 1.9829 1.9829 1.9829 1.9829 2.5132 2.5132 2.5132 2.5132 3.3201 3.3201 3.3201 3.3201 3.3986 3.3986 3.3986 3.3986 3.8114 3.8114 3.8114 3.8114 8.5150 8.5150 8.5150 8.5150 8.6052 8.6052 8.6052 8.6052 k = 0.4898 0.4898-0.0000 ( 4476 PWs) bands (ev): -6.9480 -6.9480 -6.9472 -6.9472 0.5920 0.5920 0.5930 0.5930 1.3995 1.3995 1.4054 1.4054 1.6121 1.6121 1.6160 1.6160 1.9759 1.9759 1.9901 1.9901 2.5088 2.5088 2.5163 2.5163 3.3027 3.3027 3.3212 3.3212 3.3963 3.3963 3.4160 3.4160 3.8029 3.8029 3.8215 3.8215 8.4931 8.4931 8.5306 8.5306 8.5949 8.5949 8.6322 8.6322 k = 0.4796 0.4796-0.0000 ( 4454 PWs) bands (ev): -6.9497 -6.9497 -6.9469 -6.9469 0.5930 0.5930 0.5966 0.5966 1.3950 1.3950 1.4078 1.4078 1.6114 1.6114 1.6201 1.6201 1.9691 1.9691 1.9974 1.9974 2.5027 2.5027 2.5184 2.5184 3.2666 3.2666 3.3239 3.3239 3.3983 3.3983 3.4437 3.4437 3.7957 3.7957 3.8338 3.8338 8.4685 8.4685 8.5410 8.5410 8.5991 8.5991 8.6736 8.6736 k = 0.4694 0.4694-0.0000 ( 4462 PWs) bands (ev): -6.9525 -6.9525 -6.9462 -6.9462 0.5947 0.5947 0.6027 0.6027 1.3891 1.3891 1.4101 1.4101 1.6109 1.6109 1.6259 1.6259 1.9625 1.9625 2.0048 2.0048 2.4946 2.4946 2.5199 2.5199 3.2234 3.2234 3.3275 3.3275 3.4024 3.4024 3.4723 3.4723 3.7898 3.7898 3.8485 3.8485 8.4450 8.4450 8.5484 8.5484 8.6149 8.6149 8.7257 8.7257 k = 0.4592 0.4592-0.0000 ( 4462 PWs) bands (ev): -6.9565 -6.9565 -6.9454 -6.9454 0.5971 0.5971 0.6110 0.6110 1.3818 1.3818 1.4127 1.4127 1.6102 1.6102 1.6332 1.6332 1.9563 1.9563 2.0125 2.0125 2.4846 2.4846 2.5212 2.5212 3.1762 3.1762 3.3315 3.3315 3.4082 3.4082 3.4994 3.4994 3.7851 3.7851 3.8661 3.8661 8.4243 8.4243 8.5547 8.5547 8.6406 8.6406 8.7864 8.7864 k = 0.4490 0.4490-0.0000 ( 4458 PWs) bands (ev): -6.9615 -6.9615 -6.9442 -6.9442 0.6002 0.6002 0.6218 0.6218 1.3733 1.3733 1.4155 1.4155 1.6092 1.6092 1.6417 1.6417 1.9506 1.9506 2.0207 2.0207 2.4730 2.4730 2.5224 2.5224 3.1261 3.1261 3.3351 3.3351 3.4156 3.4156 3.5244 3.5244 3.7821 3.7821 3.8867 3.8867 8.4070 8.4070 8.5609 8.5609 8.6749 8.6749 8.8548 8.8548 k = 0.4388 0.4388-0.0000 ( 4458 PWs) bands (ev): -6.9676 -6.9676 -6.9429 -6.9429 0.6039 0.6039 0.6349 0.6349 1.3637 1.3637 1.4187 1.4187 1.6077 1.6077 1.6509 1.6509 1.9459 1.9459 2.0294 2.0294 2.4601 2.4601 2.5237 2.5237 3.0737 3.0737 3.3375 3.3375 3.4234 3.4234 3.5478 3.5478 3.7812 3.7812 3.9104 3.9104 8.3929 8.3929 8.5676 8.5676 8.7168 8.7168 8.9305 8.9305 k = 0.4286 0.4286-0.0000 ( 4458 PWs) bands (ev): -6.9748 -6.9748 -6.9413 -6.9413 0.6084 0.6084 0.6501 0.6501 1.3531 1.3531 1.4220 1.4220 1.6055 1.6055 1.6603 1.6603 1.9422 1.9422 2.0388 2.0388 2.4463 2.4463 2.5250 2.5250 3.0195 3.0195 3.3386 3.3386 3.4304 3.4304 3.5705 3.5705 3.7829 3.7829 3.9371 3.9371 8.3818 8.3818 8.5750 8.5750 8.7658 8.7658 9.0132 9.0132 k = 0.4184 0.4184-0.0000 ( 4460 PWs) bands (ev): -6.9830 -6.9830 -6.9395 -6.9395 0.6136 0.6136 0.6676 0.6676 1.3417 1.3417 1.4254 1.4254 1.6024 1.6024 1.6696 1.6696 1.9398 1.9398 2.0490 2.0490 2.4320 2.4320 2.5265 2.5265 2.9639 2.9639 3.3381 3.3381 3.4350 3.4350 3.5937 3.5937 3.7875 3.7875 3.9667 3.9667 8.3735 8.3735 8.5833 8.5833 8.8211 8.8211 9.1028 9.1028 k = 0.4082 0.4082-0.0000 ( 4454 PWs) bands (ev): -6.9921 -6.9921 -6.9374 -6.9374 0.6195 0.6195 0.6872 0.6872 1.3295 1.3295 1.4287 1.4287 1.5983 1.5983 1.6784 1.6784 1.9392 1.9392 2.0603 2.0603 2.4177 2.4177 2.5282 2.5282 2.9074 2.9074 3.3356 3.3356 3.4365 3.4365 3.6184 3.6184 3.7952 3.7952 3.9991 3.9991 8.3674 8.3674 8.5924 8.5924 8.8821 8.8821 9.1990 9.1990 k = 0.3980 0.3980-0.0000 ( 4456 PWs) bands (ev): -7.0021 -7.0021 -6.9352 -6.9352 0.6262 0.6262 0.7088 0.7088 1.3167 1.3167 1.4316 1.4316 1.5932 1.5932 1.6864 1.6864 1.9403 1.9403 2.0726 2.0726 2.4035 2.4035 2.5302 2.5302 2.8504 2.8504 3.3309 3.3309 3.4351 3.4351 3.6450 3.6450 3.8059 3.8059 4.0342 4.0342 8.3632 8.3632 8.6023 8.6023 8.9483 8.9483 9.3017 9.3017 k = 0.3878 0.3878-0.0000 ( 4459 PWs) bands (ev): -7.0130 -7.0130 -6.9327 -6.9327 0.6336 0.6336 0.7324 0.7324 1.3032 1.3032 1.4338 1.4338 1.5870 1.5870 1.6934 1.6934 1.9433 1.9433 2.0862 2.0862 2.3897 2.3897 2.5324 2.5324 2.7937 2.7937 3.3233 3.3233 3.4316 3.4316 3.6734 3.6734 3.8195 3.8195 4.0715 4.0715 8.3602 8.3602 8.6130 8.6130 9.0188 9.0188 9.4107 9.4107 k = 0.3776 0.3776-0.0000 ( 4457 PWs) bands (ev): -7.0247 -7.0247 -6.9301 -6.9301 0.6418 0.6418 0.7577 0.7577 1.2892 1.2892 1.4349 1.4349 1.5799 1.5799 1.6992 1.6992 1.9484 1.9484 2.1009 2.1009 2.3763 2.3763 2.5350 2.5350 2.7378 2.7378 3.3124 3.3124 3.4275 3.4275 3.7026 3.7026 3.8363 3.8363 4.1110 4.1110 8.3581 8.3581 8.6245 8.6245 9.0929 9.0929 9.5256 9.5256 k = 0.3673 0.3673-0.0000 ( 4465 PWs) bands (ev): -7.0371 -7.0371 -6.9273 -6.9273 0.6507 0.6507 0.7847 0.7847 1.2746 1.2746 1.4348 1.4348 1.5720 1.5720 1.7039 1.7039 1.9553 1.9553 2.1166 2.1166 2.3632 2.3632 2.5379 2.5379 2.6838 2.6838 3.2981 3.2981 3.4238 3.4238 3.7316 3.7316 3.8568 3.8568 4.1524 4.1524 8.3562 8.3562 8.6367 8.6367 9.1697 9.1697 9.6463 9.6463 k = 0.3571 0.3571-0.0000 ( 4465 PWs) bands (ev): -7.0503 -7.0503 -6.9243 -6.9243 0.6603 0.6603 0.8132 0.8132 1.2595 1.2595 1.4329 1.4329 1.5633 1.5633 1.7075 1.7075 1.9640 1.9640 2.1333 2.1333 2.3500 2.3500 2.5412 2.5412 2.6327 2.6327 3.2808 3.2808 3.4211 3.4211 3.7591 3.7591 3.8816 3.8816 4.1954 4.1954 8.3540 8.3540 8.6496 8.6496 9.2482 9.2482 9.7725 9.7725 k = 0.3469 0.3469-0.0000 ( 4469 PWs) bands (ev): -7.0640 -7.0640 -6.9212 -6.9212 0.6706 0.6706 0.8429 0.8429 1.2441 1.2441 1.4290 1.4290 1.5541 1.5541 1.7103 1.7103 1.9742 1.9742 2.1505 2.1505 2.3357 2.3357 2.5450 2.5450 2.5863 2.5863 3.2609 3.2609 3.4196 3.4196 3.7844 3.7844 3.9110 3.9110 4.2399 4.2399 8.3509 8.3509 8.6631 8.6631 9.3272 9.3272 9.9038 9.9038 k = 0.3367 0.3367-0.0000 ( 4469 PWs) bands (ev): -7.0783 -7.0783 -6.9179 -6.9179 0.6816 0.6816 0.8737 0.8737 1.2283 1.2283 1.4230 1.4230 1.5443 1.5443 1.7125 1.7125 1.9857 1.9857 2.1678 2.1678 2.3195 2.3195 2.5455 2.5455 2.5500 2.5500 3.2393 3.2393 3.4191 3.4191 3.8074 3.8074 3.9449 3.9449 4.2855 4.2855 8.3464 8.3464 8.6770 8.6770 9.4055 9.4055 10.0400 10.0400 k = 0.3265 0.3265-0.0000 ( 4463 PWs) bands (ev): -7.0931 -7.0931 -6.9145 -6.9145 0.6931 0.6931 0.9050 0.9050 1.2125 1.2125 1.4148 1.4148 1.5339 1.5339 1.7142 1.7142 1.9979 1.9979 2.1844 2.1844 2.3007 2.3007 2.5148 2.5148 2.5542 2.5542 3.2169 3.2169 3.4196 3.4196 3.8287 3.8287 3.9824 3.9824 4.3321 4.3321 8.3398 8.3398 8.6914 8.6914 9.4814 9.4814 10.1807 10.1807 k = 0.3163 0.3163-0.0000 ( 4467 PWs) bands (ev): -7.1083 -7.1083 -6.9110 -6.9110 0.7053 0.7053 0.9365 0.9365 1.1970 1.1970 1.4046 1.4046 1.5226 1.5226 1.7156 1.7156 2.0099 2.0099 2.1988 2.1988 2.2805 2.2805 2.4929 2.4929 2.5595 2.5595 3.1942 3.1942 3.4209 3.4209 3.8490 3.8490 4.0226 4.0226 4.3795 4.3795 8.3306 8.3306 8.7061 8.7061 9.5533 9.5533 10.3257 10.3257 k = 0.3061 0.3061-0.0000 ( 4467 PWs) bands (ev): -7.1239 -7.1239 -6.9074 -6.9074 0.7180 0.7180 0.9671 0.9671 1.1824 1.1824 1.3928 1.3928 1.5104 1.5104 1.7167 1.7167 2.0206 2.0206 2.2069 2.2069 2.2645 2.2645 2.4804 2.4804 2.5654 2.5654 3.1720 3.1720 3.4227 3.4227 3.8689 3.8689 4.0648 4.0648 4.4274 4.4274 8.3182 8.3182 8.7210 8.7210 9.6193 9.6193 10.4746 10.4746 k = 0.2959 0.2959-0.0000 ( 4467 PWs) bands (ev): -7.1397 -7.1397 -6.9037 -6.9037 0.7310 0.7310 0.9952 0.9952 1.1702 1.1702 1.3795 1.3795 1.4970 1.4970 1.7171 1.7171 2.0277 2.0277 2.2034 2.2034 2.2619 2.2619 2.4757 2.4757 2.5719 2.5719 3.1506 3.1506 3.4251 3.4251 3.8891 3.8891 4.1083 4.1083 4.4758 4.4758 8.3021 8.3021 8.7361 8.7361 9.6772 9.6772 10.6271 10.6271 k = 0.2857 0.2857-0.0000 ( 4463 PWs) bands (ev): -7.1558 -7.1558 -6.9000 -6.9000 0.7443 0.7443 1.0180 1.0180 1.1633 1.1633 1.3653 1.3653 1.4825 1.4825 1.7164 1.7164 2.0286 2.0286 2.1953 2.1953 2.2703 2.2703 2.4771 2.4771 2.5790 2.5790 3.1307 3.1307 3.4278 3.4278 3.9098 3.9098 4.1527 4.1527 4.5243 4.5243 8.2817 8.2817 8.7512 8.7512 9.7250 9.7250 10.7828 10.7828 k = 0.2755 0.2755-0.0000 ( 4459 PWs) bands (ev): -7.1720 -7.1720 -6.8962 -6.8962 0.7578 0.7578 1.0311 1.0311 1.1656 1.1656 1.3503 1.3503 1.4669 1.4669 1.7141 1.7141 2.0216 2.0216 2.1936 2.1936 2.2820 2.2820 2.4829 2.4829 2.5866 2.5866 3.1126 3.1126 3.4308 3.4308 3.9315 3.9315 4.1975 4.1975 4.5728 4.5728 8.2566 8.2566 8.7662 8.7662 9.7609 9.7609 10.9414 10.9414 k = 0.2653 0.2653-0.0000 ( 4459 PWs) bands (ev): -7.1883 -7.1883 -6.8924 -6.8924 0.7713 0.7713 1.0320 1.0320 1.1795 1.1795 1.3350 1.3350 1.4504 1.4504 1.7093 1.7093 2.0086 2.0086 2.2009 2.2009 2.2943 2.2943 2.4921 2.4921 2.5948 2.5948 3.0967 3.0967 3.4342 3.4342 3.9543 3.9543 4.2426 4.2426 4.6212 4.6212 8.2265 8.2265 8.7810 8.7810 9.7836 9.7836 11.1024 11.1024 k = 0.2551 0.2551-0.0000 ( 4457 PWs) bands (ev): -7.2046 -7.2046 -6.8885 -6.8885 0.7843 0.7843 1.0234 1.0234 1.2023 1.2023 1.3196 1.3196 1.4331 1.4331 1.7014 1.7014 1.9933 1.9933 2.2149 2.2149 2.3066 2.3066 2.5037 2.5037 2.6035 2.6035 3.0832 3.0832 3.4378 3.4378 3.9783 3.9783 4.2876 4.2876 4.6693 4.6693 8.1911 8.1911 8.7953 8.7953 9.7926 9.7926 11.2650 11.2650 k = 0.2449 0.2449-0.0000 ( 4457 PWs) bands (ev): -7.2208 -7.2208 -6.8846 -6.8846 0.7966 0.7966 1.0098 1.0098 1.2293 1.2293 1.3046 1.3046 1.4153 1.4153 1.6900 1.6900 1.9792 1.9792 2.2333 2.2333 2.3189 2.3189 2.5168 2.5168 2.6128 2.6128 3.0724 3.0724 3.4415 3.4415 4.0036 4.0036 4.3324 4.3324 4.7168 4.7168 8.1504 8.1504 8.8090 8.8090 9.7884 9.7884 11.4273 11.4273 k = 0.2347 0.2347-0.0000 ( 4467 PWs) bands (ev): -7.2369 -7.2369 -6.8808 -6.8808 0.8073 0.8073 0.9943 0.9943 1.2559 1.2559 1.2920 1.2920 1.3970 1.3970 1.6749 1.6749 1.9682 1.9682 2.2537 2.2537 2.3317 2.3317 2.5309 2.5309 2.6226 2.6226 3.0645 3.0645 3.4455 3.4455 4.0301 4.0301 4.3768 4.3768 4.7637 4.7637 8.1041 8.1041 8.8218 8.8218 9.7724 9.7724 11.5756 11.5756 k = 0.2245 0.2245-0.0000 ( 4475 PWs) bands (ev): -7.2529 -7.2529 -6.8770 -6.8770 0.8154 0.8154 0.9794 0.9794 1.2650 1.2650 1.2973 1.2973 1.3786 1.3786 1.6568 1.6568 1.9608 1.9608 2.2745 2.2745 2.3458 2.3458 2.5456 2.5456 2.6330 2.6330 3.0597 3.0597 3.4496 3.4496 4.0579 4.0579 4.4209 4.4209 4.8099 4.8099 8.0525 8.0525 8.8335 8.8335 9.7466 9.7466 11.5234 11.5234 k = 0.2143 0.2143-0.0000 ( 4479 PWs) bands (ev): -7.2685 -7.2685 -6.8732 -6.8732 0.8192 0.8192 0.9675 0.9675 1.2538 1.2538 1.3225 1.3225 1.3602 1.3602 1.6364 1.6364 1.9568 1.9568 2.2940 2.2940 2.3624 2.3624 2.5605 2.5605 2.6439 2.6439 3.0578 3.0578 3.4539 3.4539 4.0865 4.0865 4.4645 4.4645 4.8551 4.8551 7.9957 7.9957 8.8438 8.8438 9.7134 9.7134 11.4167 11.4167 k = 0.2041 0.2041-0.0000 ( 4475 PWs) bands (ev): -7.2839 -7.2839 -6.8695 -6.8695 0.8171 0.8171 0.9605 0.9605 1.2402 1.2402 1.3409 1.3409 1.3502 1.3502 1.6149 1.6149 1.9557 1.9557 2.3108 2.3108 2.3823 2.3823 2.5755 2.5755 2.6554 2.6554 3.0590 3.0590 3.4583 3.4583 4.1159 4.1159 4.5077 4.5077 4.8992 4.8992 7.9339 7.9339 8.8525 8.8525 9.6751 9.6751 11.3113 11.3113 k = 0.1939 0.1939-0.0000 ( 4483 PWs) bands (ev): -7.2989 -7.2989 -6.8659 -6.8659 0.8082 0.8082 0.9597 0.9597 1.2267 1.2267 1.3234 1.3234 1.3747 1.3747 1.5930 1.5930 1.9567 1.9567 2.3247 2.3247 2.4055 2.4055 2.5904 2.5904 2.6674 2.6674 3.0631 3.0631 3.4627 3.4627 4.1456 4.1456 4.5506 4.5506 4.9422 4.9422 7.8675 7.8675 8.8591 8.8591 9.6340 9.6340 11.2109 11.2109 k = 0.1837 0.1837-0.0000 ( 4481 PWs) bands (ev): -7.3135 -7.3135 -6.8624 -6.8624 0.7936 0.7936 0.9643 0.9643 1.2136 1.2136 1.3057 1.3057 1.3973 1.3973 1.5719 1.5719 1.9592 1.9592 2.3362 2.3362 2.4311 2.4311 2.6053 2.6053 2.6799 2.6799 3.0701 3.0701 3.4674 3.4674 4.1752 4.1752 4.5933 4.5933 4.9840 4.9840 7.7969 7.7969 8.8635 8.8635 9.5920 9.5920 11.1166 11.1166 k = 0.1735 0.1735-0.0000 ( 4485 PWs) bands (ev): -7.3276 -7.3276 -6.8589 -6.8589 0.7749 0.7749 0.9728 0.9728 1.2011 1.2011 1.2884 1.2884 1.4166 1.4166 1.5524 1.5524 1.9628 1.9628 2.3461 2.3461 2.4578 2.4578 2.6203 2.6203 2.6929 2.6929 3.0796 3.0796 3.4722 3.4722 4.2041 4.2041 4.6360 4.6360 5.0245 5.0245 7.7226 7.7226 8.8653 8.8653 9.5506 9.5506 11.0291 11.0291 k = 0.1633 0.1633-0.0000 ( 4473 PWs) bands (ev): -7.3411 -7.3411 -6.8556 -6.8556 0.7538 0.7538 0.9837 0.9837 1.1894 1.1894 1.2718 1.2718 1.4311 1.4311 1.5362 1.5362 1.9670 1.9670 2.3549 2.3549 2.4848 2.4848 2.6354 2.6354 2.7068 2.7068 3.0913 3.0913 3.4773 3.4773 4.2317 4.2317 4.6790 4.6790 5.0637 5.0637 7.6451 7.6451 8.8643 8.8643 9.5113 9.5113 10.9491 10.9491 k = 0.1531 0.1531-0.0000 ( 4475 PWs) bands (ev): -7.3541 -7.3541 -6.8524 -6.8524 0.7314 0.7314 0.9959 0.9959 1.1782 1.1782 1.2557 1.2557 1.4390 1.4390 1.5252 1.5252 1.9717 1.9717 2.3631 2.3631 2.5109 2.5109 2.6503 2.6503 2.7219 2.7219 3.1050 3.1050 3.4826 3.4826 4.2575 4.2575 4.7223 4.7223 5.1015 5.1015 7.5649 7.5649 8.8604 8.8604 9.4750 9.4750 10.8768 10.8768 k = 0.1429 0.1429-0.0000 ( 4475 PWs) bands (ev): -7.3665 -7.3665 -6.8494 -6.8494 0.7087 0.7087 1.0087 1.0087 1.1679 1.1679 1.2404 1.2404 1.4384 1.4384 1.5215 1.5215 1.9766 1.9766 2.3709 2.3709 2.5353 2.5353 2.6648 2.6648 2.7390 2.7390 3.1200 3.1200 3.4883 3.4883 4.2809 4.2809 4.7663 4.7663 5.1381 5.1381 7.4825 7.4825 8.8534 8.8534 9.4425 9.4425 10.8124 10.8124 k = 0.1327 0.1327-0.0000 ( 4471 PWs) bands (ev): -7.3782 -7.3782 -6.8465 -6.8465 0.6862 0.6862 1.0218 1.0218 1.1583 1.1583 1.2259 1.2259 1.4306 1.4306 1.5238 1.5238 1.9814 1.9814 2.3784 2.3784 2.5576 2.5576 2.6782 2.6782 2.7587 2.7587 3.1358 3.1358 3.4946 3.4946 4.3014 4.3014 4.8109 4.8109 5.1735 5.1735 7.3986 7.3986 8.8435 8.8435 9.4145 9.4145 10.7559 10.7559 k = 0.1224 0.1224-0.0000 ( 4471 PWs) bands (ev): -7.3892 -7.3892 -6.8438 -6.8438 0.6642 0.6642 1.0349 1.0349 1.1494 1.1494 1.2122 1.2122 1.4191 1.4191 1.5291 1.5291 1.9862 1.9862 2.3856 2.3856 2.5774 2.5774 2.6898 2.6898 2.7816 2.7816 3.1518 3.1518 3.5016 3.5016 4.3185 4.3185 4.8561 4.8561 5.2079 5.2079 7.3138 7.3138 8.8308 8.8308 9.3914 9.3914 10.7072 10.7072 k = 0.1122 0.1122-0.0000 ( 4469 PWs) bands (ev): -7.3995 -7.3995 -6.8412 -6.8412 0.6431 0.6431 1.0476 1.0476 1.1412 1.1412 1.1995 1.1995 1.4061 1.4061 1.5350 1.5350 1.9908 1.9908 2.3926 2.3926 2.5948 2.5948 2.6996 2.6996 2.8076 2.8076 3.1673 3.1673 3.5095 3.5095 4.3321 4.3321 4.9016 4.9016 5.2416 5.2416 7.2286 7.2286 8.8156 8.8156 9.3733 9.3733 10.6658 10.6658 k = 0.1020 0.1020-0.0000 ( 4465 PWs) bands (ev): -7.4090 -7.4090 -6.8389 -6.8389 0.6233 0.6233 1.0599 1.0599 1.1338 1.1338 1.1878 1.1878 1.3930 1.3930 1.5406 1.5406 1.9951 1.9951 2.3994 2.3994 2.6099 2.6099 2.7077 2.7077 2.8359 2.8359 3.1816 3.1816 3.5184 3.5184 4.3422 4.3422 4.9470 4.9470 5.2747 5.2747 7.1439 7.1439 8.7984 8.7984 9.3602 9.3602 10.6312 10.6312 k = 0.0918 0.0918-0.0000 ( 4469 PWs) bands (ev): -7.4176 -7.4176 -6.8367 -6.8367 0.6047 0.6047 1.0716 1.0716 1.1271 1.1271 1.1770 1.1770 1.3804 1.3804 1.5454 1.5454 1.9991 1.9991 2.4058 2.4058 2.6230 2.6230 2.7141 2.7141 2.8658 2.8658 3.1939 3.1939 3.5285 3.5285 4.3489 4.3489 4.9913 4.9913 5.3077 5.3077 7.0603 7.0603 8.7797 8.7797 9.3520 9.3520 10.6027 10.6027 k = 0.0816 0.0816-0.0000 ( 4467 PWs) bands (ev): -7.4255 -7.4255 -6.8348 -6.8348 0.5878 0.5878 1.0826 1.0826 1.1212 1.1212 1.1672 1.1672 1.3686 1.3686 1.5493 1.5493 2.0027 2.0027 2.4119 2.4119 2.6343 2.6343 2.7194 2.7194 2.8964 2.8964 3.2037 3.2037 3.5396 3.5396 4.3524 4.3524 5.0336 5.0336 5.3409 5.3409 6.9787 6.9787 8.7604 8.7604 9.3482 9.3482 10.5793 10.5793 k = 0.0714 0.0714-0.0000 ( 4475 PWs) bands (ev): -7.4325 -7.4325 -6.8330 -6.8330 0.5725 0.5725 1.0927 1.0927 1.1160 1.1160 1.1586 1.1586 1.3578 1.3578 1.5523 1.5523 2.0059 2.0059 2.4175 2.4175 2.6440 2.6440 2.7235 2.7235 2.9269 2.9269 3.2107 3.2107 3.5516 3.5516 4.3533 4.3533 5.0729 5.0729 5.3746 5.3746 6.9002 6.9002 8.7411 8.7411 9.3484 9.3484 10.5599 10.5599 k = 0.0612 0.0612-0.0000 ( 4481 PWs) bands (ev): -7.4386 -7.4386 -6.8315 -6.8315 0.5590 0.5590 1.1019 1.1019 1.1115 1.1115 1.1510 1.1510 1.3481 1.3481 1.5547 1.5547 2.0087 2.0087 2.4225 2.4225 2.6522 2.6522 2.7269 2.7269 2.9566 2.9566 3.2145 3.2145 3.5641 3.5641 4.3520 4.3520 5.1081 5.1081 5.4087 5.4087 6.8260 6.8260 8.7225 8.7225 9.3517 9.3517 10.5433 10.5433 k = 0.0510 0.0510-0.0000 ( 4481 PWs) bands (ev): -7.4437 -7.4437 -6.8302 -6.8302 0.5475 0.5475 1.1076 1.1076 1.1100 1.1100 1.1446 1.1446 1.3396 1.3396 1.5564 1.5564 2.0110 2.0110 2.4270 2.4270 2.6591 2.6591 2.7295 2.7295 2.9849 2.9849 3.2154 3.2154 3.5765 3.5765 4.3492 4.3492 5.1384 5.1384 5.4427 5.4427 6.7575 6.7575 8.7054 8.7054 9.3572 9.3572 10.5284 10.5284 k = 0.0408 0.0408-0.0000 ( 4481 PWs) bands (ev): -7.4480 -7.4480 -6.8291 -6.8291 0.5379 0.5379 1.1046 1.1046 1.1168 1.1168 1.1394 1.1394 1.3325 1.3325 1.5577 1.5577 2.0129 2.0129 2.4307 2.4307 2.6646 2.6646 2.7315 2.7315 3.0109 3.0109 3.2137 3.2137 3.5881 3.5881 4.3457 4.3457 5.1632 5.1632 5.4754 5.4754 6.6965 6.6965 8.6904 8.6904 9.3640 9.3640 10.5141 10.5141 k = 0.0306 0.0306-0.0000 ( 4481 PWs) bands (ev): -7.4513 -7.4513 -6.8283 -6.8283 0.5304 0.5304 1.1022 1.1022 1.1223 1.1223 1.1353 1.1353 1.3267 1.3267 1.5586 1.5586 2.0143 2.0143 2.4337 2.4337 2.6689 2.6689 2.7330 2.7330 3.0336 3.0336 3.2099 3.2099 3.5981 3.5981 4.3420 4.3420 5.1823 5.1823 5.5048 5.5048 6.6453 6.6453 8.6782 8.6782 9.3708 9.3708 10.5003 10.5003 k = 0.0204 0.0204-0.0000 ( 4471 PWs) bands (ev): -7.4537 -7.4537 -6.8277 -6.8277 0.5251 0.5251 1.1005 1.1005 1.1262 1.1262 1.1326 1.1326 1.3225 1.3225 1.5591 1.5591 2.0154 2.0154 2.4360 2.4360 2.6719 2.6719 2.7340 2.7340 3.0520 3.0520 3.2053 3.2053 3.6059 3.6059 4.3389 4.3389 5.1958 5.1958 5.5284 5.5284 6.6062 6.6062 8.6691 8.6691 9.3766 9.3766 10.4880 10.4880 k = 0.0102 0.0102-0.0000 ( 4471 PWs) bands (ev): -7.4552 -7.4552 -6.8273 -6.8273 0.5218 0.5218 1.0995 1.0995 1.1280 1.1280 1.1316 1.1316 1.3200 1.3200 1.5594 1.5594 2.0160 2.0160 2.4373 2.4373 2.6737 2.6737 2.7346 2.7346 3.0642 3.0642 3.2013 3.2013 3.6108 3.6108 4.3368 4.3368 5.2038 5.2038 5.5439 5.5439 6.5816 6.5816 8.6635 8.6635 9.3806 9.3806 10.4794 10.4794 k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -7.4556 -7.4556 -6.8272 -6.8272 0.5207 0.5207 1.0993 1.0993 1.1282 1.1282 1.1316 1.1316 1.3191 1.3191 1.5595 1.5595 2.0162 2.0162 2.4377 2.4377 2.6743 2.6743 2.7348 2.7348 3.0687 3.0687 3.1998 3.1998 3.6125 3.6125 4.3360 4.3360 5.2064 5.2064 5.5493 5.5493 6.5731 6.5731 8.6617 8.6617 9.3820 9.3820 10.4763 10.4763 k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -7.4556 -7.4556 -6.8272 -6.8272 0.5207 0.5207 1.0993 1.0993 1.1282 1.1282 1.1316 1.1316 1.3191 1.3191 1.5595 1.5595 2.0162 2.0162 2.4377 2.4377 2.6743 2.6743 2.7348 2.7348 3.0687 3.0687 3.1998 3.1998 3.6125 3.6125 4.3360 4.3360 5.2064 5.2064 5.5493 5.5493 6.5731 6.5731 8.6617 8.6617 9.3820 9.3820 10.4763 10.4763 k = 0.0000 0.0000 0.0141 ( 4465 PWs) bands (ev): -7.4552 -7.4552 -6.8277 -6.8277 0.5209 0.5209 1.0987 1.0987 1.1277 1.1277 1.1307 1.1307 1.3191 1.3191 1.5603 1.5603 2.0167 2.0167 2.4377 2.4377 2.6744 2.6744 2.7348 2.7348 3.0686 3.0686 3.2009 3.2009 3.6137 3.6137 4.3346 4.3346 5.2040 5.2040 5.5474 5.5474 6.5789 6.5789 8.6626 8.6626 9.3830 9.3830 10.4782 10.4782 k = 0.0000 0.0000 0.0283 ( 4481 PWs) bands (ev): -7.4539 -7.4539 -6.8292 -6.8292 0.5216 0.5216 1.0971 1.0971 1.1263 1.1263 1.1280 1.1280 1.3192 1.3192 1.5627 1.5627 2.0180 2.0180 2.4378 2.4378 2.6746 2.6746 2.7349 2.7349 3.0682 3.0682 3.2044 3.2044 3.6172 3.6172 4.3301 4.3301 5.1967 5.1967 5.5414 5.5414 6.5960 6.5960 8.6655 8.6655 9.3860 9.3860 10.4838 10.4838 k = 0.0000 0.0000 0.0424 ( 4493 PWs) bands (ev): -7.4517 -7.4517 -6.8317 -6.8317 0.5226 0.5226 1.0944 1.0944 1.1237 1.1237 1.1239 1.1239 1.3192 1.3192 1.5665 1.5665 2.0202 2.0202 2.4380 2.4380 2.6748 2.6748 2.7349 2.7349 3.0677 3.0677 3.2102 3.2102 3.6231 3.6231 4.3229 4.3229 5.1850 5.1850 5.5317 5.5317 6.6240 6.6240 8.6702 8.6702 9.3910 9.3910 10.4930 10.4930 k = 0.0000 0.0000 0.0565 ( 4489 PWs) bands (ev): -7.4487 -7.4487 -6.8352 -6.8352 0.5241 0.5241 1.0908 1.0908 1.1179 1.1179 1.1206 1.1206 1.3193 1.3193 1.5717 1.5717 2.0232 2.0232 2.4383 2.4383 2.6751 2.6751 2.7350 2.7350 3.0672 3.0672 3.2183 3.2183 3.6314 3.6314 4.3131 4.3131 5.1691 5.1691 5.5181 5.5181 6.6625 6.6625 8.6769 8.6769 9.3979 9.3979 10.5058 10.5058 k = 0.0000 0.0000 0.0707 ( 4489 PWs) bands (ev): -7.4448 -7.4448 -6.8396 -6.8396 0.5261 0.5261 1.0861 1.0861 1.1108 1.1108 1.1165 1.1165 1.3194 1.3194 1.5780 1.5780 2.0270 2.0270 2.4387 2.4387 2.6756 2.6756 2.7351 2.7351 3.0665 3.0665 3.2286 3.2286 3.6419 3.6419 4.3012 4.3012 5.1494 5.1494 5.5008 5.5008 6.7105 6.7105 8.6855 8.6855 9.4065 9.4065 10.5219 10.5219 k = 0.0000 0.0000 0.0848 ( 4485 PWs) bands (ev): -7.4401 -7.4401 -6.8450 -6.8450 0.5285 0.5285 1.0805 1.0805 1.1027 1.1027 1.1117 1.1117 1.3196 1.3196 1.5852 1.5852 2.0314 2.0314 2.4391 2.4391 2.6761 2.6761 2.7352 2.7352 3.0658 3.0658 3.2411 3.2411 3.6548 3.6548 4.2873 4.2873 5.1266 5.1266 5.4800 5.4800 6.7673 6.7673 8.6959 8.6959 9.4166 9.4166 10.5411 10.5411 k = 0.0000 0.0000 0.0990 ( 4489 PWs) bands (ev): -7.4345 -7.4345 -6.8513 -6.8513 0.5314 0.5314 1.0737 1.0737 1.0937 1.0937 1.1063 1.1063 1.3197 1.3197 1.5931 1.5931 2.0364 2.0364 2.4395 2.4395 2.6766 2.6766 2.7351 2.7351 3.0650 3.0650 3.2556 3.2556 3.6699 3.6699 4.2720 4.2720 5.1009 5.1009 5.4558 5.4558 6.8320 6.8320 8.7083 8.7083 9.4281 9.4281 10.5630 10.5630 k = 0.0000 0.0000 0.1131 ( 4489 PWs) bands (ev): -7.4282 -7.4282 -6.8584 -6.8584 0.5347 0.5347 1.0659 1.0659 1.0843 1.0843 1.1003 1.1003 1.3199 1.3199 1.6015 1.6015 2.0418 2.0418 2.4400 2.4400 2.6772 2.6772 2.7349 2.7349 3.0641 3.0641 3.2722 3.2722 3.6873 3.6873 4.2557 4.2557 5.0729 5.0729 5.4285 5.4285 6.9039 6.9039 8.7226 8.7226 9.4405 9.4405 10.5870 10.5870 k = 0.0000 0.0000 0.1272 ( 4489 PWs) bands (ev): -7.4212 -7.4212 -6.8664 -6.8664 0.5386 0.5386 1.0571 1.0571 1.0746 1.0746 1.0939 1.0939 1.3200 1.3200 1.6102 1.6102 2.0476 2.0476 2.4407 2.4407 2.6779 2.6779 2.7345 2.7345 3.0632 3.0632 3.2907 3.2907 3.7069 3.7069 4.2386 4.2386 5.0428 5.0428 5.3981 5.3981 6.9822 6.9822 8.7387 8.7387 9.4536 9.4536 10.6123 10.6123 k = 0.0000 0.0000 0.1414 ( 4469 PWs) bands (ev): -7.4134 -7.4134 -6.8751 -6.8751 0.5430 0.5430 1.0473 1.0473 1.0649 1.0649 1.0873 1.0873 1.3201 1.3201 1.6190 1.6190 2.0537 2.0537 2.4415 2.4415 2.6786 2.6786 2.7340 2.7340 3.0623 3.0623 3.3111 3.3111 3.7286 3.7286 4.2212 4.2212 5.0110 5.0110 5.3650 5.3650 7.0661 7.0661 8.7566 8.7566 9.4669 9.4669 10.6373 10.6373 k = 0.0000 0.0000 0.1555 ( 4469 PWs) bands (ev): -7.4049 -7.4049 -6.8846 -6.8846 0.5479 0.5479 1.0366 1.0366 1.0551 1.0551 1.0803 1.0803 1.3203 1.3203 1.6278 1.6278 2.0599 2.0599 2.4422 2.4422 2.6793 2.6793 2.7332 2.7332 3.0612 3.0612 3.3333 3.3333 3.7524 3.7524 4.2037 4.2037 4.9778 4.9778 5.3294 5.3294 7.1550 7.1550 8.7764 8.7764 9.4801 9.4801 10.6586 10.6586 k = 0.0000 0.0000 0.1696 ( 4477 PWs) bands (ev): -7.3958 -7.3958 -6.8948 -6.8948 0.5533 0.5533 1.0252 1.0252 1.0453 1.0453 1.0732 1.0732 1.3204 1.3204 1.6364 1.6364 2.0661 2.0661 2.4429 2.4429 2.6800 2.6800 2.7323 2.7323 3.0602 3.0602 3.3571 3.3571 3.7782 3.7782 4.1864 4.1864 4.9435 4.9435 5.2916 5.2916 7.2482 7.2482 8.7979 8.7979 9.4925 9.4925 10.6686 10.6686 k = 0.0000 0.0000 0.1838 ( 4484 PWs) bands (ev): -7.3861 -7.3861 -6.9056 -6.9056 0.5592 0.5592 1.0132 1.0132 1.0357 1.0357 1.0662 1.0662 1.3204 1.3204 1.6447 1.6447 2.0724 2.0724 2.4437 2.4437 2.6807 2.6807 2.7311 2.7311 3.0591 3.0591 3.3824 3.3824 3.8059 3.8059 4.1695 4.1695 4.9084 4.9084 5.2518 5.2518 7.3451 7.3451 8.8212 8.8212 9.5035 9.5035 10.6534 10.6534 k = 0.0000 0.0000 0.1979 ( 4492 PWs) bands (ev): -7.3758 -7.3758 -6.9169 -6.9169 0.5656 0.5656 1.0009 1.0009 1.0262 1.0262 1.0592 1.0592 1.3205 1.3205 1.6527 1.6527 2.0785 2.0785 2.4444 2.4444 2.6814 2.6814 2.7297 2.7297 3.0579 3.0579 3.4092 3.4092 3.8353 3.8353 4.1532 4.1532 4.8728 4.8728 5.2103 5.2103 7.4451 7.4451 8.8461 8.8461 9.5125 9.5125 10.6075 10.6075 k = 0.0000 0.0000 0.2120 ( 4496 PWs) bands (ev): -7.3652 -7.3652 -6.9287 -6.9287 0.5725 0.5725 0.9883 0.9883 1.0170 1.0170 1.0523 1.0523 1.3206 1.3206 1.6602 1.6602 2.0844 2.0844 2.4452 2.4452 2.6821 2.6821 2.7282 2.7282 3.0568 3.0568 3.4371 3.4371 3.8663 3.8663 4.1375 4.1375 4.8369 4.8369 5.1675 5.1675 7.5475 7.5475 8.8725 8.8725 9.5188 9.5188 10.5434 10.5434 k = 0.0000 0.0000 0.2262 ( 4484 PWs) bands (ev): -7.3541 -7.3541 -6.9408 -6.9408 0.5798 0.5798 0.9755 0.9755 1.0082 1.0082 1.0458 1.0458 1.3207 1.3207 1.6673 1.6673 2.0901 2.0901 2.4461 2.4461 2.6827 2.6827 2.7265 2.7265 3.0556 3.0556 3.4660 3.4660 3.8987 3.8987 4.1224 4.1224 4.8013 4.8013 5.1237 5.1237 7.6517 7.6517 8.9003 8.9003 9.5217 9.5217 10.4723 10.4723 k = 0.0000 0.0000 0.2403 ( 4484 PWs) bands (ev): -7.3428 -7.3428 -6.9531 -6.9531 0.5875 0.5875 0.9626 0.9626 0.9997 0.9997 1.0395 1.0395 1.3208 1.3208 1.6738 1.6738 2.0954 2.0954 2.4468 2.4468 2.6834 2.6834 2.7247 2.7247 3.0545 3.0545 3.4956 3.4956 3.9323 3.9323 4.1079 4.1079 4.7661 4.7661 5.0792 5.0792 7.7570 7.7570 8.9293 8.9293 9.5203 9.5203 10.3997 10.3997 k = 0.0000 0.0000 0.2544 ( 4488 PWs) bands (ev): -7.3313 -7.3313 -6.9656 -6.9656 0.5954 0.5954 0.9498 0.9498 0.9918 0.9918 1.0336 1.0336 1.3209 1.3209 1.6798 1.6798 2.1005 2.1005 2.4475 2.4475 2.6840 2.6840 2.7229 2.7229 3.0535 3.0535 3.5256 3.5256 3.9667 3.9667 4.0940 4.0940 4.7318 4.7318 5.0346 5.0346 7.8625 7.8625 8.9592 8.9592 9.5142 9.5142 10.3280 10.3280 k = 0.0000 0.0000 0.2686 ( 4480 PWs) bands (ev): -7.3198 -7.3198 -6.9779 -6.9779 0.6036 0.6036 0.9372 0.9372 0.9846 0.9846 1.0283 1.0283 1.3210 1.3210 1.6851 1.6851 2.1050 2.1050 2.4483 2.4483 2.6845 2.6845 2.7210 2.7210 3.0525 3.0525 3.5557 3.5557 4.0016 4.0016 4.0807 4.0807 4.6990 4.6990 4.9902 4.9902 7.9673 7.9673 8.9898 8.9898 9.5027 9.5027 10.2587 10.2587 k = 0.0000 0.0000 0.2827 ( 4480 PWs) bands (ev): -7.3085 -7.3085 -6.9901 -6.9901 0.6117 0.6117 0.9251 0.9251 0.9781 0.9781 1.0234 1.0234 1.3211 1.3211 1.6899 1.6899 2.1091 2.1091 2.4489 2.4489 2.6850 2.6850 2.7192 2.7192 3.0516 3.0516 3.5855 3.5855 4.0365 4.0365 4.0677 4.0677 4.6680 4.6680 4.9468 4.9468 8.0702 8.0702 9.0204 9.0204 9.4855 9.4855 10.1930 10.1930 k = 0.0000 0.0000 0.2969 ( 4476 PWs) bands (ev): -7.2976 -7.2976 -7.0018 -7.0018 0.6196 0.6196 0.9135 0.9135 0.9723 0.9723 1.0191 1.0191 1.3211 1.3211 1.6940 1.6940 2.1128 2.1128 2.4494 2.4494 2.6855 2.6855 2.7175 2.7175 3.0508 3.0508 3.6143 3.6143 4.0552 4.0552 4.0708 4.0708 4.6395 4.6395 4.9049 4.9049 8.1698 8.1698 9.0506 9.0506 9.4629 9.4629 10.1319 10.1319 k = 0.0000 0.0000 0.3110 ( 4476 PWs) bands (ev): -7.2873 -7.2873 -7.0127 -7.0127 0.6272 0.6272 0.9028 0.9028 0.9673 0.9673 1.0153 1.0153 1.3212 1.3212 1.6975 1.6975 2.1159 2.1159 2.4499 2.4499 2.6858 2.6858 2.7159 2.7159 3.0501 3.0501 3.6415 3.6415 4.0433 4.0433 4.1036 4.1036 4.6140 4.6140 4.8655 4.8655 8.2641 8.2641 9.0795 9.0795 9.4356 9.4356 10.0765 10.0765 k = 0.0000 0.0000 0.3251 ( 4480 PWs) bands (ev): -7.2781 -7.2781 -7.0225 -7.0225 0.6341 0.6341 0.8933 0.8933 0.9632 0.9632 1.0122 1.0122 1.3212 1.3212 1.7003 1.7003 2.1185 2.1185 2.4502 2.4502 2.6862 2.6862 2.7146 2.7146 3.0495 3.0495 3.6663 3.6663 4.0320 4.0320 4.1339 4.1339 4.5921 4.5921 4.8297 4.8297 8.3507 8.3507 9.1061 9.1061 9.4050 9.4050 10.0280 10.0280 k = 0.0000 0.0000 0.3393 ( 4488 PWs) bands (ev): -7.2702 -7.2702 -7.0308 -7.0308 0.6399 0.6399 0.8854 0.8854 0.9600 0.9600 1.0098 1.0098 1.3213 1.3213 1.7025 1.7025 2.1204 2.1204 2.4505 2.4505 2.6864 2.6864 2.7135 2.7135 3.0490 3.0490 3.6876 3.6876 4.0220 4.0220 4.1603 4.1603 4.5743 4.5743 4.7991 4.7991 8.4262 8.4262 9.1291 9.1291 9.3738 9.3738 9.9879 9.9879 k = 0.0000 0.0000 0.3534 ( 4488 PWs) bands (ev): -7.2642 -7.2642 -7.0371 -7.0371 0.6445 0.6445 0.8794 0.8794 0.9576 0.9576 1.0080 1.0080 1.3213 1.3213 1.7040 1.7040 2.1219 2.1219 2.4508 2.4508 2.6866 2.6866 2.7127 2.7127 3.0487 3.0487 3.7043 3.7043 4.0138 4.0138 4.1810 4.1810 4.5613 4.5613 4.7753 4.7753 8.4860 8.4860 9.1470 9.1470 9.3459 9.3459 9.9576 9.9576 k = 0.0000 0.0000 0.3675 ( 4504 PWs) bands (ev): -7.2603 -7.2603 -7.0411 -7.0411 0.6473 0.6473 0.8756 0.8756 0.9562 0.9562 1.0069 1.0069 1.3212 1.3212 1.7050 1.7050 2.1227 2.1227 2.4509 2.4509 2.6866 2.6866 2.7122 2.7122 3.0484 3.0484 3.7149 3.7149 4.0084 4.0084 4.1944 4.1944 4.5533 4.5533 4.7600 4.7600 8.5251 8.5251 9.1585 9.1585 9.3262 9.3262 9.9387 9.9387 k = 0.0000 0.0000 0.3817 ( 4512 PWs) bands (ev): -7.2590 -7.2590 -7.0425 -7.0425 0.6483 0.6483 0.8743 0.8743 0.9557 0.9557 1.0065 1.0065 1.3212 1.3212 1.7053 1.7053 2.1230 2.1230 2.4509 2.4509 2.6867 2.6867 2.7120 2.7120 3.0484 3.0484 3.7186 3.7186 4.0065 4.0065 4.1990 4.1990 4.5506 4.5506 4.7547 4.7547 8.5388 8.5388 9.1625 9.1625 9.3189 9.3189 9.9323 9.9323 k = 0.0000 0.0000 0.3817 ( 4512 PWs) bands (ev): -7.2590 -7.2590 -7.0425 -7.0425 0.6483 0.6483 0.8743 0.8743 0.9557 0.9557 1.0065 1.0065 1.3212 1.3212 1.7053 1.7053 2.1230 2.1230 2.4509 2.4509 2.6867 2.6867 2.7120 2.7120 3.0484 3.0484 3.7186 3.7186 4.0065 4.0065 4.1990 4.1990 4.5506 4.5506 4.7547 4.7547 8.5388 8.5388 9.1625 9.1625 9.3189 9.3189 9.9323 9.9323 k = 0.0000 0.0143 0.3817 ( 4508 PWs) bands (ev): -7.2587 -7.2587 -7.0424 -7.0424 0.6489 0.6489 0.8726 0.8726 0.9574 0.9574 1.0074 1.0074 1.3219 1.3219 1.7048 1.7048 2.1224 2.1224 2.4505 2.4505 2.6860 2.6860 2.7110 2.7110 3.0465 3.0465 3.7165 3.7165 4.0072 4.0072 4.1981 4.1981 4.5512 4.5512 4.7546 4.7546 8.5374 8.5374 9.1631 9.1631 9.3234 9.3234 9.9362 9.9362 k = 0.0000 0.0286 0.3817 ( 4500 PWs) bands (ev): -7.2578 -7.2578 -7.0420 -7.0420 0.6508 0.6508 0.8680 0.8680 0.9620 0.9620 1.0101 1.0101 1.3240 1.3240 1.7035 1.7035 2.1205 2.1205 2.4490 2.4490 2.6840 2.6840 2.7081 2.7081 3.0411 3.0411 3.7096 3.7096 4.0094 4.0094 4.1957 4.1957 4.5530 4.5530 4.7542 4.7542 8.5331 8.5331 9.1631 9.1631 9.3384 9.3384 9.9482 9.9482 k = 0.0000 0.0429 0.3817 ( 4492 PWs) bands (ev): -7.2563 -7.2563 -7.0414 -7.0414 0.6538 0.6538 0.8615 0.8615 0.9681 0.9681 1.0148 1.0148 1.3274 1.3274 1.7013 1.7013 2.1175 2.1175 2.4466 2.4466 2.6806 2.6806 2.7033 2.7033 3.0323 3.0323 3.6975 3.6975 4.0134 4.0134 4.1924 4.1924 4.5559 4.5559 4.7537 4.7537 8.5260 8.5260 9.1588 9.1588 9.3670 9.3670 9.9681 9.9681 k = 0.0000 0.0571 0.3817 ( 4490 PWs) bands (ev): -7.2542 -7.2542 -7.0406 -7.0406 0.6580 0.6580 0.8540 0.8540 0.9745 0.9745 1.0220 1.0220 1.3321 1.3321 1.6982 1.6982 2.1133 2.1133 2.4432 2.4432 2.6757 2.6757 2.6968 2.6968 3.0203 3.0203 3.6789 3.6789 4.0195 4.0195 4.1892 4.1892 4.5598 4.5598 4.7530 4.7530 8.5162 8.5162 9.1474 9.1474 9.4115 9.4115 9.9957 9.9957 k = 0.0000 0.0714 0.3817 ( 4482 PWs) bands (ev): -7.2515 -7.2515 -7.0396 -7.0396 0.6633 0.6633 0.8462 0.8462 0.9805 0.9805 1.0318 1.0318 1.3381 1.3381 1.6943 1.6943 2.1079 2.1079 2.4387 2.4387 2.6695 2.6695 2.6886 2.6886 3.0055 3.0055 3.6531 3.6531 4.0278 4.0278 4.1873 4.1873 4.5645 4.5645 4.7523 4.7523 8.5038 8.5038 9.1283 9.1283 9.4713 9.4713 10.0310 10.0310 k = 0.0000 0.0857 0.3817 ( 4484 PWs) bands (ev): -7.2483 -7.2483 -7.0383 -7.0383 0.6696 0.6696 0.8386 0.8386 0.9859 0.9859 1.0439 1.0439 1.3453 1.3453 1.6896 1.6896 2.1014 2.1014 2.4331 2.4331 2.6616 2.6616 2.6791 2.6791 2.9883 2.9883 3.6195 3.6195 4.0386 4.0386 4.1873 4.1873 4.5699 4.5699 4.7516 4.7516 8.4889 8.4889 9.1019 9.1019 9.5448 9.5448 10.0736 10.0736 k = 0.0000 0.1000 0.3817 ( 4484 PWs) bands (ev): -7.2445 -7.2445 -7.0369 -7.0369 0.6767 0.6767 0.8316 0.8316 0.9910 0.9910 1.0579 1.0579 1.3537 1.3537 1.6840 1.6840 2.0939 2.0939 2.4262 2.4262 2.6522 2.6522 2.6685 2.6685 2.9689 2.9689 3.5783 3.5783 4.0518 4.0518 4.1896 4.1896 4.5758 4.5758 4.7511 4.7511 8.4714 8.4714 9.0690 9.0690 9.6300 9.6300 10.1232 10.1232 k = 0.0000 0.1143 0.3817 ( 4470 PWs) bands (ev): -7.2402 -7.2402 -7.0353 -7.0353 0.6845 0.6845 0.8255 0.8255 0.9959 0.9959 1.0735 1.0735 1.3633 1.3633 1.6778 1.6778 2.0854 2.0854 2.4180 2.4180 2.6409 2.6409 2.6571 2.6571 2.9479 2.9479 3.5300 3.5300 4.0671 4.0671 4.1945 4.1945 4.5824 4.5824 4.7508 4.7508 8.4515 8.4515 9.0302 9.0302 9.7250 9.7250 10.1794 10.1794 k = 0.0000 0.1286 0.3817 ( 4474 PWs) bands (ev): -7.2353 -7.2353 -7.0336 -7.0336 0.6927 0.6927 0.8206 0.8206 1.0010 1.0010 1.0901 1.0901 1.3740 1.3740 1.6709 1.6709 2.0760 2.0760 2.4083 2.4083 2.6280 2.6280 2.6451 2.6451 2.9254 2.9254 3.4754 3.4754 4.0841 4.0841 4.2019 4.2019 4.5895 4.5895 4.7509 4.7509 8.4290 8.4290 8.9860 8.9860 9.8275 9.8275 10.2417 10.2417 k = 0.0000 0.1429 0.3817 ( 4470 PWs) bands (ev): -7.2300 -7.2300 -7.0318 -7.0318 0.7010 0.7010 0.8173 0.8173 1.0063 1.0063 1.1076 1.1076 1.3856 1.3856 1.6632 1.6632 2.0657 2.0657 2.3972 2.3972 2.6137 2.6137 2.6324 2.6324 2.9018 2.9018 3.4156 3.4156 4.1024 4.1024 4.2115 4.2115 4.5972 4.5972 4.7515 4.7515 8.4042 8.4042 8.9371 8.9371 9.9353 9.9353 10.3095 10.3095 k = 0.0000 0.1571 0.3817 ( 4460 PWs) bands (ev): -7.2242 -7.2242 -7.0299 -7.0299 0.7088 0.7088 0.8161 0.8161 1.0121 1.0121 1.1257 1.1257 1.3983 1.3983 1.6550 1.6550 2.0545 2.0545 2.3844 2.3844 2.5981 2.5981 2.6192 2.6192 2.8774 2.8774 3.3519 3.3519 4.1216 4.1216 4.2231 4.2231 4.6056 4.6056 4.7526 4.7526 8.3772 8.3772 8.8840 8.8840 10.0459 10.0459 10.3821 10.3821 k = 0.0000 0.1714 0.3817 ( 4464 PWs) bands (ev): -7.2180 -7.2180 -7.0279 -7.0279 0.7158 0.7158 0.8175 0.8175 1.0183 1.0183 1.1445 1.1445 1.4117 1.4117 1.6463 1.6463 2.0427 2.0427 2.3699 2.3699 2.5816 2.5816 2.6053 2.6053 2.8523 2.8523 3.2853 3.2853 4.1412 4.1412 4.2364 4.2364 4.6145 4.6145 4.7543 4.7543 8.3479 8.3479 8.8273 8.8273 10.1562 10.1562 10.4587 10.4587 k = 0.0000 0.1857 0.3817 ( 4460 PWs) bands (ev): -7.2114 -7.2114 -7.0259 -7.0259 0.7215 0.7215 0.8217 0.8217 1.0251 1.0251 1.1636 1.1636 1.4259 1.4259 1.6371 1.6371 2.0302 2.0302 2.3537 2.3537 2.5643 2.5643 2.5908 2.5908 2.8267 2.8267 3.2169 3.2169 4.1611 4.1611 4.2510 4.2510 4.6241 4.6241 4.7567 4.7567 8.3167 8.3167 8.7675 8.7675 10.2634 10.2634 10.5385 10.5385 k = 0.0000 0.2000 0.3817 ( 4476 PWs) bands (ev): -7.2044 -7.2044 -7.0239 -7.0239 0.7259 0.7259 0.8288 0.8288 1.0325 1.0325 1.1830 1.1830 1.4409 1.4409 1.6274 1.6274 2.0170 2.0170 2.3357 2.3357 2.5464 2.5464 2.5759 2.5759 2.8004 2.8004 3.1477 3.1477 4.1808 4.1808 4.2668 4.2668 4.6344 4.6344 4.7598 4.7598 8.2837 8.2837 8.7053 8.7053 10.3645 10.3645 10.6206 10.6206 k = 0.0000 0.2143 0.3817 ( 4476 PWs) bands (ev): -7.1971 -7.1971 -7.0220 -7.0220 0.7292 0.7292 0.8387 0.8387 1.0405 1.0405 1.2026 1.2026 1.4564 1.4564 1.6175 1.6175 2.0033 2.0033 2.3161 2.3161 2.5278 2.5278 2.5607 2.5607 2.7739 2.7739 3.0789 3.0789 4.2002 4.2002 4.2833 4.2833 4.6453 4.6453 4.7635 4.7635 8.2492 8.2492 8.6414 8.6414 10.4571 10.4571 10.7039 10.7039 k = 0.0000 0.2286 0.3817 ( 4472 PWs) bands (ev): -7.1894 -7.1894 -7.0202 -7.0202 0.7318 0.7318 0.8507 0.8507 1.0492 1.0492 1.2222 1.2222 1.4725 1.4725 1.6073 1.6073 1.9891 1.9891 2.2948 2.2948 2.5085 2.5085 2.5454 2.5454 2.7470 2.7470 3.0112 3.0112 4.2193 4.2193 4.3002 4.3002 4.6569 4.6569 4.7680 4.7680 8.2133 8.2133 8.5764 8.5764 10.5403 10.5403 10.7869 10.7869 k = 0.0000 0.2429 0.3817 ( 4468 PWs) bands (ev): -7.1815 -7.1815 -7.0184 -7.0184 0.7341 0.7341 0.8644 0.8644 1.0586 1.0586 1.2417 1.2417 1.4889 1.4889 1.5970 1.5970 1.9745 1.9745 2.2720 2.2720 2.4883 2.4883 2.5302 2.5302 2.7199 2.7199 2.9456 2.9456 4.2379 4.2379 4.3172 4.3172 4.6690 4.6690 4.7732 4.7732 8.1765 8.1765 8.5108 8.5108 10.6143 10.6143 10.8669 10.8669 k = 0.0000 0.2571 0.3817 ( 4476 PWs) bands (ev): -7.1734 -7.1734 -7.0169 -7.0169 0.7366 0.7366 0.8791 0.8791 1.0686 1.0686 1.2609 1.2609 1.5056 1.5056 1.5868 1.5868 1.9594 1.9594 2.2479 2.2479 2.4672 2.4672 2.5152 2.5152 2.6923 2.6923 2.8831 2.8831 4.2560 4.2560 4.3341 4.3341 4.6817 4.6817 4.7789 4.7789 8.1390 8.1390 8.4454 8.4454 10.6803 10.6803 10.9367 10.9367 k = 0.0000 0.2714 0.3817 ( 4476 PWs) bands (ev): -7.1651 -7.1651 -7.0155 -7.0155 0.7396 0.7396 0.8944 0.8944 1.0793 1.0793 1.2797 1.2797 1.5220 1.5220 1.5771 1.5771 1.9439 1.9439 2.2225 2.2225 2.4451 2.4451 2.5006 2.5006 2.6643 2.6643 2.8245 2.8245 4.2737 4.2737 4.3505 4.3505 4.6948 4.6948 4.7853 4.7853 8.1012 8.1012 8.3806 8.3806 10.7398 10.7398 10.9756 10.9756 k = 0.0000 0.2857 0.3817 ( 4472 PWs) bands (ev): -7.1567 -7.1567 -7.0143 -7.0143 0.7434 0.7434 0.9098 0.9098 1.0907 1.0907 1.2978 1.2978 1.5371 1.5371 1.5691 1.5691 1.9281 1.9281 2.1960 2.1960 2.4223 2.4223 2.4864 2.4864 2.6359 2.6359 2.7705 2.7705 4.2908 4.2908 4.3663 4.3663 4.7082 4.7082 4.7922 4.7922 8.0633 8.0633 8.3170 8.3170 10.7945 10.7945 10.9860 10.9860 k = 0.0000 0.3000 0.3817 ( 4472 PWs) bands (ev): -7.1482 -7.1482 -7.0135 -7.0135 0.7481 0.7481 0.9250 0.9250 1.1028 1.1028 1.3151 1.3151 1.5446 1.5446 1.5688 1.5688 1.9118 1.9118 2.1688 2.1688 2.3990 2.3990 2.4728 2.4728 2.6069 2.6069 2.7217 2.7217 4.3074 4.3074 4.3812 4.3812 4.7217 4.7217 4.7995 4.7995 8.0258 8.0258 8.2551 8.2551 10.8456 10.8456 10.9902 10.9902 k = 0.0000 0.3143 0.3817 ( 4482 PWs) bands (ev): -7.1397 -7.1397 -7.0129 -7.0129 0.7538 0.7538 0.9394 0.9394 1.1156 1.1156 1.3314 1.3314 1.5402 1.5402 1.5810 1.5810 1.8950 1.8950 2.1409 2.1409 2.3755 2.3755 2.4597 2.4597 2.5776 2.5776 2.6782 2.6782 4.3234 4.3234 4.3951 4.3951 4.7353 4.7353 4.8071 4.8071 7.9890 7.9890 8.1953 8.1953 10.8937 10.8937 10.9952 10.9952 k = 0.0000 0.3286 0.3817 ( 4470 PWs) bands (ev): -7.1311 -7.1311 -7.0126 -7.0126 0.7607 0.7607 0.9527 0.9527 1.1291 1.1291 1.3464 1.3464 1.5325 1.5325 1.5968 1.5968 1.8779 1.8779 2.1128 2.1128 2.3525 2.3525 2.4472 2.4472 2.5483 2.5483 2.6400 2.6400 4.3389 4.3389 4.4079 4.4079 4.7488 4.7488 4.8148 4.8148 7.9533 7.9533 8.1380 8.1380 10.9387 10.9387 11.0039 11.0039 k = 0.0000 0.3429 0.3817 ( 4476 PWs) bands (ev): -7.1226 -7.1226 -7.0128 -7.0128 0.7688 0.7688 0.9645 0.9645 1.1432 1.1432 1.3599 1.3599 1.5246 1.5246 1.6132 1.6132 1.8602 1.8602 2.0849 2.0849 2.3306 2.3306 2.4354 2.4354 2.5194 2.5194 2.6061 2.6061 4.3537 4.3537 4.4195 4.4195 4.7620 4.7620 4.8226 4.8226 7.9191 7.9191 8.0836 8.0836 10.9770 10.9770 11.0206 11.0206 k = 0.0000 0.3571 0.3817 ( 4482 PWs) bands (ev): -7.1141 -7.1141 -7.0132 -7.0132 0.7781 0.7781 0.9743 0.9743 1.1580 1.1580 1.3716 1.3716 1.5174 1.5174 1.6292 1.6292 1.8423 1.8423 2.0577 2.0577 2.3105 2.3105 2.4244 2.4244 2.4916 2.4916 2.5760 2.5760 4.3678 4.3678 4.4299 4.4299 4.7748 4.7748 4.8302 4.8302 7.8868 7.8868 8.0325 8.0325 11.0029 11.0029 11.0519 11.0519 k = 0.0000 0.3714 0.3817 ( 4482 PWs) bands (ev): -7.1058 -7.1058 -7.0141 -7.0141 0.7887 0.7887 0.9816 0.9816 1.1733 1.1733 1.3814 1.3814 1.5113 1.5113 1.6442 1.6442 1.8245 1.8245 2.0317 2.0317 2.2928 2.2928 2.4142 2.4142 2.4653 2.4653 2.5489 2.5489 4.3813 4.3813 4.4390 4.4390 4.7871 4.7871 4.8374 4.8374 7.8567 7.8567 7.9848 7.9848 11.0220 11.0220 11.0927 11.0927 k = 0.0000 0.3857 0.3817 ( 4480 PWs) bands (ev): -7.0977 -7.0977 -7.0155 -7.0155 0.8005 0.8005 0.9863 0.9863 1.1892 1.1892 1.3887 1.3887 1.5070 1.5070 1.6574 1.6574 1.8076 1.8076 2.0072 2.0072 2.2781 2.2781 2.4047 2.4047 2.4409 2.4409 2.5244 2.5244 4.3939 4.3939 4.4468 4.4468 4.7988 4.7988 4.8441 4.8441 7.8292 7.8292 7.9409 7.9409 11.0413 11.0413 11.1358 11.1358 k = 0.0000 0.4000 0.3817 ( 4476 PWs) bands (ev): -7.0897 -7.0897 -7.0173 -7.0173 0.8135 0.8135 0.9879 0.9879 1.2056 1.2056 1.3929 1.3929 1.5051 1.5051 1.6670 1.6670 1.7935 1.7935 1.9843 1.9843 2.2666 2.2666 2.3951 2.3951 2.4193 2.4193 2.5021 2.5021 4.4058 4.4058 4.4532 4.4532 4.8098 4.8098 4.8501 4.8501 7.8048 7.8048 7.9009 7.9009 11.0630 11.0630 11.1792 11.1792 k = 0.0000 0.4143 0.3817 ( 4472 PWs) bands (ev): -7.0820 -7.0820 -7.0195 -7.0195 0.8275 0.8275 0.9865 0.9865 1.2224 1.2224 1.3933 1.3933 1.5065 1.5065 1.6705 1.6705 1.7850 1.7850 1.9630 1.9630 2.2586 2.2586 2.3825 2.3825 2.4036 2.4036 2.4818 2.4818 4.4167 4.4167 4.4582 4.4582 4.8201 4.8201 4.8551 4.8551 7.7838 7.7838 7.8650 7.8650 11.0878 11.0878 11.2221 11.2221 k = 0.0000 0.4286 0.3817 ( 4468 PWs) bands (ev): -7.0746 -7.0746 -7.0222 -7.0222 0.8425 0.8425 0.9820 0.9820 1.2396 1.2396 1.3896 1.3896 1.5116 1.5116 1.6659 1.6659 1.7845 1.7845 1.9429 1.9429 2.2542 2.2542 2.3651 2.3651 2.3956 2.3956 2.4636 2.4636 4.4267 4.4267 4.4619 4.4619 4.8294 4.8294 4.8591 4.8591 7.7664 7.7664 7.8334 7.8334 11.1159 11.1159 11.2638 11.2638 k = 0.0000 0.4429 0.3817 ( 4452 PWs) bands (ev): -7.0675 -7.0675 -7.0254 -7.0254 0.8583 0.8583 0.9747 0.9747 1.2571 1.2571 1.3820 1.3820 1.5204 1.5204 1.6540 1.6540 1.7915 1.7915 1.9238 1.9238 2.2535 2.2535 2.3465 2.3465 2.3922 2.3922 2.4473 2.4473 4.4356 4.4356 4.4642 4.4642 4.8378 4.8378 4.8620 4.8620 7.7530 7.7530 7.8062 7.8062 11.1474 11.1474 11.3035 11.3035 k = 0.0000 0.4571 0.3817 ( 4452 PWs) bands (ev): -7.0608 -7.0608 -7.0291 -7.0291 0.8745 0.8745 0.9647 0.9647 1.2748 1.2748 1.3713 1.3713 1.5323 1.5323 1.6376 1.6376 1.8035 1.8035 1.9054 1.9054 2.2561 2.2561 2.3283 2.3283 2.3914 2.3914 2.4331 2.4331 4.4435 4.4435 4.4652 4.4652 4.8452 4.8452 4.8635 4.8635 7.7438 7.7438 7.7834 7.7834 11.1825 11.1825 11.3397 11.3397 k = 0.0000 0.4714 0.3817 ( 4456 PWs) bands (ev): -7.0544 -7.0544 -7.0332 -7.0332 0.8911 0.8911 0.9526 0.9526 1.2924 1.2924 1.3580 1.3580 1.5468 1.5468 1.6191 1.6191 1.8183 1.8183 1.8872 1.8872 2.2620 2.2620 2.3112 2.3112 2.3930 2.3930 2.4209 2.4209 4.4502 4.4502 4.4648 4.4648 4.8514 4.8514 4.8638 4.8638 7.7389 7.7389 7.7652 7.7652 11.2209 11.2209 11.3652 11.3652 k = 0.0000 0.4857 0.3817 ( 4452 PWs) bands (ev): -7.0485 -7.0485 -7.0379 -7.0379 0.9075 0.9075 0.9387 0.9387 1.3099 1.3099 1.3431 1.3431 1.5633 1.5633 1.6000 1.6000 1.8346 1.8346 1.8694 1.8694 2.2708 2.2708 2.2958 2.2958 2.3967 2.3967 2.4107 2.4107 4.4557 4.4557 4.4630 4.4630 4.8565 4.8565 4.8627 4.8627 7.7385 7.7385 7.7517 7.7517 11.2625 11.2625 11.3492 11.3492 k = 0.0000 0.5000 0.3817 ( 4444 PWs) bands (ev): -7.0429 -7.0429 -7.0429 -7.0429 0.9236 0.9236 0.9236 0.9236 1.3269 1.3269 1.3269 1.3269 1.5812 1.5812 1.5812 1.5812 1.8518 1.8518 1.8518 1.8518 2.2822 2.2822 2.2822 2.2822 2.4027 2.4027 2.4027 2.4027 4.4600 4.4600 4.4600 4.4600 4.8602 4.8602 4.8602 4.8602 7.7428 7.7428 7.7428 7.7428 11.3065 11.3065 11.3065 11.3065 k = 0.0000 0.5000 0.3817 ( 4444 PWs) bands (ev): -7.0429 -7.0429 -7.0429 -7.0429 0.9236 0.9236 0.9236 0.9236 1.3269 1.3269 1.3269 1.3269 1.5812 1.5812 1.5812 1.5812 1.8518 1.8518 1.8518 1.8518 2.2822 2.2822 2.2822 2.2822 2.4027 2.4027 2.4027 2.4027 4.4600 4.4600 4.4600 4.4600 4.8602 4.8602 4.8602 4.8602 7.7428 7.7428 7.7428 7.7428 11.3065 11.3065 11.3065 11.3065 k = 0.0143 0.5000 0.3817 ( 4456 PWs) bands (ev): -7.0428 -7.0428 -7.0427 -7.0427 0.9211 0.9211 0.9268 0.9268 1.3246 1.3246 1.3289 1.3289 1.5795 1.5795 1.5829 1.5829 1.8496 1.8496 1.8539 1.8539 2.2754 2.2754 2.2889 2.2889 2.3992 2.3992 2.4076 2.4076 4.4332 4.4332 4.4780 4.4780 4.8327 4.8327 4.8850 4.8850 7.7377 7.7377 7.7580 7.7580 11.2639 11.2639 11.2989 11.2989 k = 0.0286 0.5000 0.3817 ( 4452 PWs) bands (ev): -7.0423 -7.0423 -7.0420 -7.0420 0.9195 0.9195 0.9308 0.9308 1.3219 1.3219 1.3308 1.3308 1.5783 1.5783 1.5848 1.5848 1.8475 1.8475 1.8561 1.8561 2.2689 2.2689 2.2953 2.2953 2.3975 2.3975 2.4136 2.4136 4.3990 4.3990 4.4852 4.4852 4.8048 4.8048 4.9055 4.9055 7.7429 7.7429 7.7831 7.7831 11.2069 11.2069 11.2462 11.2462 k = 0.0429 0.5000 0.3817 ( 4456 PWs) bands (ev): -7.0414 -7.0414 -7.0410 -7.0410 0.9186 0.9186 0.9356 0.9356 1.3189 1.3189 1.3326 1.3326 1.5775 1.5775 1.5866 1.5866 1.8457 1.8457 1.8582 1.8582 2.2628 2.2628 2.3010 2.3010 2.3979 2.3979 2.4206 2.4206 4.3586 4.3586 4.4796 4.4796 4.7789 4.7789 4.9207 4.9207 7.7583 7.7583 7.8175 7.8175 11.1470 11.1470 11.1818 11.1818 k = 0.0571 0.5000 0.3817 ( 4464 PWs) bands (ev): -7.0402 -7.0402 -7.0397 -7.0397 0.9184 0.9184 0.9412 0.9412 1.3155 1.3155 1.3345 1.3345 1.5774 1.5774 1.5881 1.5881 1.8441 1.8441 1.8601 1.8601 2.2573 2.2573 2.3056 2.3056 2.4006 2.4006 2.4284 2.4284 4.3131 4.3131 4.4600 4.4600 4.7569 4.7569 4.9297 4.9297 7.7835 7.7835 7.8606 7.8606 11.0870 11.0870 11.1151 11.1151 k = 0.0714 0.5000 0.3817 ( 4468 PWs) bands (ev): -7.0386 -7.0386 -7.0379 -7.0379 0.9189 0.9189 0.9474 0.9474 1.3116 1.3116 1.3365 1.3365 1.5779 1.5779 1.5893 1.5893 1.8431 1.8431 1.8621 1.8621 2.2524 2.2524 2.3089 2.3089 2.4060 2.4060 2.4368 2.4368 4.2633 4.2633 4.4269 4.4269 4.7389 4.7389 4.9323 4.9323 7.8180 7.8180 7.9117 7.9117 11.0279 11.0279 11.0483 11.0483 k = 0.0857 0.5000 0.3817 ( 4472 PWs) bands (ev): -7.0366 -7.0366 -7.0359 -7.0359 0.9199 0.9199 0.9541 0.9541 1.3073 1.3073 1.3388 1.3388 1.5793 1.5793 1.5901 1.5901 1.8426 1.8426 1.8641 1.8641 2.2480 2.2480 2.3109 2.3109 2.4137 2.4137 2.4457 2.4457 4.2098 4.2098 4.3825 4.3825 4.7236 4.7236 4.9285 4.9285 7.8613 7.8613 7.9700 7.9700 10.9704 10.9704 10.9828 10.9828 k = 0.1000 0.5000 0.3817 ( 4472 PWs) bands (ev): -7.0343 -7.0343 -7.0335 -7.0335 0.9213 0.9213 0.9614 0.9614 1.3027 1.3027 1.3414 1.3414 1.5815 1.5815 1.5904 1.5904 1.8429 1.8429 1.8662 1.8662 2.2443 2.2443 2.3121 2.3121 2.4234 2.4234 2.4551 2.4551 4.1533 4.1533 4.3296 4.3296 4.7089 4.7089 4.9183 4.9183 7.9125 7.9125 8.0346 8.0346 10.9150 10.9150 10.9191 10.9191 k = 0.1143 0.5000 0.3817 ( 4464 PWs) bands (ev): -7.0317 -7.0317 -7.0307 -7.0307 0.9231 0.9231 0.9689 0.9689 1.2977 1.2977 1.3445 1.3445 1.5847 1.5847 1.5901 1.5901 1.8439 1.8439 1.8685 1.8685 2.2411 2.2411 2.3125 2.3125 2.4349 2.4349 2.4648 2.4648 4.0946 4.0946 4.2709 4.2709 4.6931 4.6931 4.9019 4.9019 7.9706 7.9706 8.1047 8.1047 10.8577 10.8577 10.8620 10.8620 k = 0.1286 0.5000 0.3817 ( 4464 PWs) bands (ev): -7.0288 -7.0288 -7.0277 -7.0277 0.9251 0.9251 0.9765 0.9765 1.2925 1.2925 1.3480 1.3480 1.5887 1.5887 1.5894 1.5894 1.8458 1.8458 1.8713 1.8713 2.2384 2.2384 2.3126 2.3126 2.4477 2.4477 2.4746 2.4746 4.0341 4.0341 4.2081 4.2081 4.6750 4.6750 4.8798 4.8798 8.0350 8.0350 8.1796 8.1796 10.7992 10.7992 10.8119 10.8119 k = 0.1429 0.5000 0.3817 ( 4472 PWs) bands (ev): -7.0256 -7.0256 -7.0245 -7.0245 0.9272 0.9272 0.9841 0.9841 1.2872 1.2872 1.3520 1.3520 1.5881 1.5881 1.5937 1.5937 1.8485 1.8485 1.8745 1.8745 2.2361 2.2361 2.3126 2.3126 2.4614 2.4614 2.4846 2.4846 3.9726 3.9726 4.1430 4.1430 4.6539 4.6539 4.8522 4.8522 8.1045 8.1045 8.2583 8.2583 10.7438 10.7438 10.7648 10.7648 k = 0.1571 0.5000 0.3817 ( 4468 PWs) bands (ev): -7.0222 -7.0222 -7.0209 -7.0209 0.9293 0.9293 0.9915 0.9915 1.2819 1.2819 1.3567 1.3567 1.5864 1.5864 1.5996 1.5996 1.8522 1.8522 1.8784 1.8784 2.2343 2.2343 2.3127 2.3127 2.4759 2.4759 2.4945 2.4945 3.9103 3.9103 4.0766 4.0766 4.6296 4.6296 4.8196 4.8196 8.1783 8.1783 8.3401 8.3401 10.6918 10.6918 10.7210 10.7210 k = 0.1714 0.5000 0.3817 ( 4464 PWs) bands (ev): -7.0185 -7.0185 -7.0172 -7.0172 0.9313 0.9313 0.9984 0.9984 1.2769 1.2769 1.3618 1.3618 1.5844 1.5844 1.6063 1.6063 1.8568 1.8568 1.8830 1.8830 2.2329 2.2329 2.3130 2.3130 2.4910 2.4910 2.5044 2.5044 3.8480 3.8480 4.0098 4.0098 4.6017 4.6017 4.7824 4.7824 8.2556 8.2556 8.4243 8.4243 10.6434 10.6434 10.6807 10.6807 k = 0.1857 0.5000 0.3817 ( 4468 PWs) bands (ev): -7.0147 -7.0147 -7.0133 -7.0133 0.9331 0.9331 1.0046 1.0046 1.2723 1.2723 1.3675 1.3675 1.5821 1.5821 1.6137 1.6137 1.8623 1.8623 1.8887 1.8887 2.2318 2.2318 2.3137 2.3137 2.5065 2.5065 2.5140 2.5140 3.7860 3.7860 3.9435 3.9435 4.5703 4.5703 4.7410 4.7410 8.3356 8.3356 8.5103 8.5103 10.5989 10.5989 10.6441 10.6441 k = 0.2000 0.5000 0.3817 ( 4476 PWs) bands (ev): -7.0106 -7.0106 -7.0092 -7.0092 0.9347 0.9347 1.0100 1.0100 1.2682 1.2682 1.3735 1.3735 1.5797 1.5797 1.6217 1.6217 1.8685 1.8685 1.8953 1.8953 2.2312 2.2312 2.3148 2.3148 2.5223 2.5223 2.5232 2.5232 3.7248 3.7248 3.8782 3.8782 4.5355 4.5355 4.6959 4.6959 8.4176 8.4176 8.5974 8.5974 10.5582 10.5582 10.6112 10.6112 k = 0.2143 0.5000 0.3817 ( 4476 PWs) bands (ev): -7.0065 -7.0065 -7.0050 -7.0050 0.9359 0.9359 1.0143 1.0143 1.2649 1.2649 1.3799 1.3799 1.5774 1.5774 1.6302 1.6302 1.8754 1.8754 1.9030 1.9030 2.2311 2.2311 2.3165 2.3165 2.5321 2.5321 2.5383 2.5383 3.6646 3.6646 3.8145 3.8145 4.4975 4.4975 4.6474 4.6474 8.5009 8.5009 8.6851 8.6851 10.5215 10.5215 10.5820 10.5820 k = 0.2286 0.5000 0.3817 ( 4484 PWs) bands (ev): -7.0022 -7.0022 -7.0007 -7.0007 0.9369 0.9369 1.0173 1.0173 1.2624 1.2624 1.3864 1.3864 1.5753 1.5753 1.6389 1.6389 1.8830 1.8830 1.9117 1.9117 2.2318 2.2318 2.3189 2.3189 2.5404 2.5404 2.5545 2.5545 3.6060 3.6060 3.7528 3.7528 4.4565 4.4565 4.5959 4.5959 8.5849 8.5849 8.7727 8.7727 10.4888 10.4888 10.5564 10.5564 k = 0.2429 0.5000 0.3817 ( 4468 PWs) bands (ev): -6.9979 -6.9979 -6.9964 -6.9964 0.9375 0.9375 1.0191 1.0191 1.2610 1.2610 1.3929 1.3929 1.5735 1.5735 1.6478 1.6478 1.8910 1.8910 1.9214 1.9214 2.2334 2.2334 2.3220 2.3220 2.5481 2.5481 2.5710 2.5710 3.5490 3.5490 3.6935 3.6935 4.4127 4.4127 4.5420 4.5420 8.6691 8.6691 8.8599 8.8599 10.4600 10.4600 10.5345 10.5345 k = 0.2571 0.5000 0.3817 ( 4468 PWs) bands (ev): -6.9935 -6.9935 -6.9920 -6.9920 0.9377 0.9377 1.0195 1.0195 1.2605 1.2605 1.3991 1.3991 1.5723 1.5723 1.6566 1.6566 1.8994 1.8994 1.9319 1.9319 2.2364 2.2364 2.3259 2.3259 2.5550 2.5550 2.5877 2.5877 3.4941 3.4941 3.6370 3.6370 4.3665 4.3665 4.4859 4.4859 8.7531 8.7531 8.9461 8.9461 10.4350 10.4350 10.5161 10.5161 k = 0.2714 0.5000 0.3817 ( 4476 PWs) bands (ev): -6.9892 -6.9892 -6.9877 -6.9877 0.9377 0.9377 1.0186 1.0186 1.2611 1.2611 1.4047 1.4047 1.5718 1.5718 1.6650 1.6650 1.9079 1.9079 1.9427 1.9427 2.2412 2.2412 2.3308 2.3308 2.5610 2.5610 2.6045 2.6045 3.4412 3.4412 3.5834 3.5834 4.3182 4.3182 4.4282 4.4282 8.8363 8.8363 9.0309 9.0309 10.4138 10.4138 10.5010 10.5010 k = 0.2857 0.5000 0.3817 ( 4472 PWs) bands (ev): -6.9848 -6.9848 -6.9834 -6.9834 0.9374 0.9374 1.0165 1.0165 1.2627 1.2627 1.4096 1.4096 1.5721 1.5721 1.6731 1.6731 1.9164 1.9164 1.9533 1.9533 2.2484 2.2484 2.3367 2.3367 2.5662 2.5662 2.6216 2.6216 3.3907 3.3907 3.5331 3.5331 4.2682 4.2682 4.3692 4.3692 8.9184 8.9184 9.1138 9.1138 10.3961 10.3961 10.4890 10.4890 k = 0.3000 0.5000 0.3817 ( 4484 PWs) bands (ev): -6.9806 -6.9806 -6.9791 -6.9791 0.9369 0.9369 1.0133 1.0133 1.2653 1.2653 1.4135 1.4135 1.5734 1.5734 1.6804 1.6804 1.9247 1.9247 1.9632 1.9632 2.2586 2.2586 2.3437 2.3437 2.5702 2.5702 2.6391 2.6391 3.3426 3.3426 3.4861 3.4861 4.2169 4.2169 4.3094 4.3094 8.9990 8.9990 9.1944 9.1944 10.3819 10.3819 10.4798 10.4798 k = 0.3143 0.5000 0.3817 ( 4492 PWs) bands (ev): -6.9764 -6.9764 -6.9750 -6.9750 0.9362 0.9362 1.0092 1.0092 1.2687 1.2687 1.4163 1.4163 1.5757 1.5757 1.6870 1.6870 1.9325 1.9325 1.9717 1.9717 2.2724 2.2724 2.3519 2.3519 2.5732 2.5732 2.6570 2.6570 3.2969 3.2969 3.4426 3.4426 4.1647 4.1647 4.2493 4.2493 9.0778 9.0778 9.2723 9.2723 10.3709 10.3709 10.4732 10.4732 k = 0.3286 0.5000 0.3817 ( 4488 PWs) bands (ev): -6.9724 -6.9724 -6.9711 -6.9711 0.9355 0.9355 1.0044 1.0044 1.2729 1.2729 1.4178 1.4178 1.5792 1.5792 1.6928 1.6928 1.9398 1.9398 1.9785 1.9785 2.2902 2.2902 2.3612 2.3612 2.5752 2.5752 2.6754 2.6754 3.2537 3.2537 3.4024 3.4024 4.1121 4.1121 4.1894 4.1894 9.1543 9.1543 9.3468 9.3468 10.3630 10.3630 10.4687 10.4687 k = 0.3429 0.5000 0.3817 ( 4488 PWs) bands (ev): -6.9686 -6.9686 -6.9673 -6.9673 0.9347 0.9347 0.9991 0.9991 1.2778 1.2778 1.4180 1.4180 1.5837 1.5837 1.6976 1.6976 1.9463 1.9463 1.9832 1.9832 2.3122 2.3122 2.3717 2.3717 2.5761 2.5761 2.6945 2.6945 3.2128 3.2128 3.3656 3.3656 4.0596 4.0596 4.1302 4.1302 9.2284 9.2284 9.4175 9.4175 10.3580 10.3580 10.4661 10.4661 k = 0.3571 0.5000 0.3817 ( 4492 PWs) bands (ev): -6.9650 -6.9650 -6.9638 -6.9638 0.9341 0.9341 0.9934 0.9934 1.2832 1.2832 1.4169 1.4169 1.5892 1.5892 1.7013 1.7013 1.9520 1.9520 1.9858 1.9858 2.3382 2.3382 2.3831 2.3831 2.5759 2.5759 2.7141 2.7141 3.1744 3.1744 3.3318 3.3318 4.0079 4.0079 4.0722 4.0722 9.2995 9.2995 9.4837 9.4837 10.3557 10.3557 10.4649 10.4649 k = 0.3714 0.5000 0.3817 ( 4488 PWs) bands (ev): -6.9616 -6.9616 -6.9605 -6.9605 0.9335 0.9335 0.9876 0.9876 1.2892 1.2892 1.4146 1.4146 1.5957 1.5957 1.7039 1.7039 1.9567 1.9567 1.9866 1.9866 2.3679 2.3679 2.3954 2.3954 2.5748 2.5748 2.7342 2.7342 3.1384 3.1384 3.3009 3.3009 3.9576 3.9576 4.0160 4.0160 9.3674 9.3674 9.5448 9.5448 10.3561 10.3561 10.4647 10.4647 k = 0.3857 0.5000 0.3817 ( 4480 PWs) bands (ev): -6.9584 -6.9584 -6.9574 -6.9574 0.9332 0.9332 0.9817 0.9817 1.2957 1.2957 1.4111 1.4111 1.6029 1.6029 1.7053 1.7053 1.9605 1.9605 1.9859 1.9859 2.4005 2.4005 2.4083 2.4083 2.5729 2.5729 2.7544 2.7544 3.1049 3.1049 3.2723 3.2723 3.9094 3.9094 3.9624 3.9624 9.4317 9.4317 9.6000 9.6000 10.3589 10.3589 10.4651 10.4651 k = 0.4000 0.5000 0.3817 ( 4484 PWs) bands (ev): -6.9556 -6.9556 -6.9547 -6.9547 0.9331 0.9331 0.9758 0.9758 1.3026 1.3026 1.4067 1.4067 1.6107 1.6107 1.7054 1.7054 1.9634 1.9634 1.9842 1.9842 2.4215 2.4215 2.4351 2.4351 2.5707 2.5707 2.7739 2.7739 3.0745 3.0745 3.2457 3.2457 3.8642 3.8642 3.9119 3.9119 9.4918 9.4918 9.6487 9.6487 10.3640 10.3640 10.4655 10.4655 k = 0.4143 0.5000 0.3817 ( 4492 PWs) bands (ev): -6.9531 -6.9531 -6.9523 -6.9523 0.9333 0.9333 0.9701 0.9701 1.3099 1.3099 1.4014 1.4014 1.6190 1.6190 1.7042 1.7042 1.9656 1.9656 1.9819 1.9819 2.4347 2.4347 2.4701 2.4701 2.5694 2.5694 2.7913 2.7913 3.0482 3.0482 3.2204 3.2204 3.8228 3.8228 3.8652 3.8652 9.5475 9.5475 9.6899 9.6899 10.3712 10.3712 10.4655 10.4655 k = 0.4286 0.5000 0.3817 ( 4496 PWs) bands (ev): -6.9509 -6.9509 -6.9502 -6.9502 0.9338 0.9338 0.9647 0.9647 1.3174 1.3174 1.3953 1.3953 1.6278 1.6278 1.7016 1.7016 1.9670 1.9670 1.9794 1.9794 2.4478 2.4478 2.5014 2.5014 2.5721 2.5721 2.8041 2.8041 3.0280 3.0280 3.1959 3.1959 3.7864 3.7864 3.8232 3.8232 9.5981 9.5981 9.7232 9.7232 10.3803 10.3803 10.4646 10.4646 k = 0.4429 0.5000 0.3817 ( 4500 PWs) bands (ev): -6.9491 -6.9491 -6.9485 -6.9485 0.9348 0.9348 0.9596 0.9596 1.3252 1.3252 1.3886 1.3886 1.6367 1.6367 1.6978 1.6978 1.9680 1.9680 1.9770 1.9770 2.4605 2.4605 2.5204 2.5204 2.5871 2.5871 2.8085 2.8085 3.0171 3.0171 3.1715 3.1715 3.7558 3.7558 3.7865 3.7865 9.6433 9.6433 9.7479 9.7479 10.3908 10.3908 10.4625 10.4625 k = 0.4571 0.5000 0.3817 ( 4496 PWs) bands (ev): -6.9476 -6.9476 -6.9472 -6.9472 0.9363 0.9363 0.9548 0.9548 1.3333 1.3333 1.3814 1.3814 1.6458 1.6458 1.6929 1.6929 1.9687 1.9687 1.9748 1.9748 2.4727 2.4727 2.5241 2.5241 2.6168 2.6168 2.8016 2.8016 3.0177 3.0177 3.1468 3.1468 3.7320 3.7320 3.7560 3.7560 9.6826 9.6826 9.7639 9.7639 10.4023 10.4023 10.4587 10.4587 k = 0.4714 0.5000 0.3817 ( 4500 PWs) bands (ev): -6.9465 -6.9465 -6.9463 -6.9463 0.9381 0.9381 0.9506 0.9506 1.3414 1.3414 1.3738 1.3738 1.6548 1.6548 1.6868 1.6868 1.9692 1.9692 1.9729 1.9729 2.4842 2.4842 2.5202 2.5202 2.6527 2.6527 2.7835 2.7835 3.0291 3.0291 3.1217 3.1217 3.7158 3.7158 3.7323 3.7323 9.7153 9.7153 9.7709 9.7709 10.4142 10.4142 10.4531 10.4531 k = 0.4857 0.5000 0.3817 ( 4504 PWs) bands (ev): -6.9459 -6.9459 -6.9457 -6.9457 0.9405 0.9405 0.9467 0.9467 1.3496 1.3496 1.3659 1.3659 1.6636 1.6636 1.6797 1.6797 1.9698 1.9698 1.9715 1.9715 2.4949 2.4949 2.5133 2.5133 2.6895 2.6895 2.7570 2.7570 3.0481 3.0481 3.0962 3.0962 3.7076 3.7076 3.7160 3.7160 9.7409 9.7409 9.7692 9.7692 10.4257 10.4257 10.4456 10.4456 k = 0.5000 0.5000 0.3817 ( 4520 PWs) bands (ev): -6.9456 -6.9456 -6.9456 -6.9456 0.9433 0.9433 0.9433 0.9433 1.3578 1.3578 1.3578 1.3578 1.6719 1.6719 1.6719 1.6719 1.9705 1.9705 1.9705 1.9705 2.5046 2.5046 2.5046 2.5046 2.7249 2.7249 2.7249 2.7249 3.0712 3.0712 3.0712 3.0712 3.7077 3.7077 3.7077 3.7077 9.7591 9.7591 9.7591 9.7591 10.4364 10.4364 10.4364 10.4364 k = 0.5000 0.5000 0.3817 ( 4520 PWs) bands (ev): -6.9456 -6.9456 -6.9456 -6.9456 0.9433 0.9433 0.9433 0.9433 1.3578 1.3578 1.3578 1.3578 1.6719 1.6719 1.6719 1.6719 1.9705 1.9705 1.9705 1.9705 2.5046 2.5046 2.5046 2.5046 2.7249 2.7249 2.7249 2.7249 3.0712 3.0712 3.0712 3.0712 3.7077 3.7077 3.7077 3.7077 9.7591 9.7591 9.7591 9.7591 10.4364 10.4364 10.4364 10.4364 k = 0.4898 0.4898 0.3817 ( 4504 PWs) bands (ev): -6.9460 -6.9460 -6.9457 -6.9457 0.9403 0.9403 0.9469 0.9469 1.3495 1.3495 1.3660 1.3660 1.6635 1.6635 1.6798 1.6798 1.9697 1.9697 1.9716 1.9716 2.4948 2.4948 2.5134 2.5134 2.6889 2.6889 2.7576 2.7576 3.0466 3.0466 3.0976 3.0976 3.7060 3.7060 3.7177 3.7177 9.7403 9.7403 9.7697 9.7697 10.4244 10.4244 10.4469 10.4469 k = 0.4796 0.4796 0.3817 ( 4504 PWs) bands (ev): -6.9470 -6.9470 -6.9459 -6.9459 0.9370 0.9370 0.9517 0.9517 1.3412 1.3412 1.3740 1.3740 1.6546 1.6546 1.6869 1.6869 1.9689 1.9689 1.9733 1.9733 2.4839 2.4839 2.5209 2.5209 2.6504 2.6504 2.7871 2.7871 3.0194 3.0194 3.1303 3.1303 3.7064 3.7064 3.7414 3.7414 9.7118 9.7118 9.7745 9.7745 10.4052 10.4052 10.4615 10.4615 k = 0.4694 0.4694 0.3817 ( 4500 PWs) bands (ev): -6.9486 -6.9486 -6.9463 -6.9463 0.9329 0.9329 0.9583 0.9583 1.3329 1.3329 1.3817 1.3817 1.6454 1.6454 1.6928 1.6928 1.9678 1.9678 1.9759 1.9759 2.4724 2.4724 2.5271 2.5271 2.6108 2.6108 2.8140 2.8140 2.9880 2.9880 3.1711 3.1711 3.7074 3.7074 3.7779 3.7779 9.6731 9.6731 9.7752 9.7752 10.3770 10.3770 10.4818 10.4818 k = 0.4592 0.4592 0.3817 ( 4502 PWs) bands (ev): -6.9510 -6.9510 -6.9468 -6.9468 0.9278 0.9278 0.9670 0.9670 1.3247 1.3247 1.3891 1.3891 1.6359 1.6359 1.6973 1.6973 1.9665 1.9665 1.9795 1.9795 2.4606 2.4606 2.5315 2.5315 2.5721 2.5721 2.8379 2.8379 2.9545 2.9545 3.2193 3.2193 3.7088 3.7088 3.8244 3.8244 9.6252 9.6252 9.7732 9.7732 10.3401 10.3401 10.5072 10.5072 k = 0.4490 0.4490 0.3817 ( 4494 PWs) bands (ev): -6.9540 -6.9540 -6.9475 -6.9475 0.9215 0.9215 0.9779 0.9779 1.3167 1.3167 1.3961 1.3961 1.6264 1.6264 1.6999 1.6999 1.9650 1.9650 1.9839 1.9839 2.4486 2.4486 2.5253 2.5253 2.5448 2.5448 2.8525 2.8525 2.9276 2.9276 3.2734 3.2734 3.7108 3.7108 3.8786 3.8786 9.5694 9.5694 9.7691 9.7691 10.2958 10.2958 10.5369 10.5369 k = 0.4388 0.4388 0.3817 ( 4484 PWs) bands (ev): -6.9576 -6.9576 -6.9483 -6.9483 0.9142 0.9142 0.9908 0.9908 1.3088 1.3088 1.4026 1.4026 1.6168 1.6168 1.7002 1.7002 1.9633 1.9633 1.9894 1.9894 2.4360 2.4360 2.4945 2.4945 2.5445 2.5445 2.8393 2.8393 2.9280 2.9280 3.3319 3.3319 3.7131 3.7131 3.9383 3.9383 9.5072 9.5072 9.7634 9.7634 10.2457 10.2457 10.5699 10.5699 k = 0.4286 0.4286 0.3817 ( 4476 PWs) bands (ev): -6.9618 -6.9618 -6.9492 -6.9492 0.9058 0.9058 1.0058 1.0058 1.3011 1.3011 1.4086 1.4086 1.6071 1.6071 1.6977 1.6977 1.9618 1.9618 1.9956 1.9956 2.4214 2.4214 2.4655 2.4655 2.5478 2.5478 2.8052 2.8052 2.9506 2.9506 3.3935 3.3935 3.7159 3.7159 4.0020 4.0020 9.4402 9.4402 9.7561 9.7561 10.1913 10.1913 10.6056 10.6056 k = 0.4184 0.4184 0.3817 ( 4472 PWs) bands (ev): -6.9666 -6.9666 -6.9504 -6.9504 0.8966 0.8966 1.0226 1.0226 1.2936 1.2936 1.4139 1.4139 1.5975 1.5975 1.6919 1.6919 1.9606 1.9606 2.0027 2.0027 2.4017 2.4017 2.4452 2.4452 2.5512 2.5512 2.7667 2.7667 2.9803 2.9803 3.4572 3.4572 3.7191 3.7191 4.0684 4.0684 9.3695 9.3695 9.7475 9.7475 10.1343 10.1343 10.6439 10.6439 k = 0.4082 0.4082 0.3817 ( 4472 PWs) bands (ev): -6.9721 -6.9721 -6.9516 -6.9516 0.8865 0.8865 1.0411 1.0411 1.2864 1.2864 1.4186 1.4186 1.5880 1.5880 1.6826 1.6826 1.9599 1.9599 2.0106 2.0106 2.3773 2.3773 2.4334 2.4334 2.5547 2.5547 2.7290 2.7290 3.0132 3.0132 3.5222 3.5222 3.7227 3.7227 4.1366 4.1366 9.2964 9.2964 9.7375 9.7375 10.0759 10.0759 10.6844 10.6844 k = 0.3980 0.3980 0.3817 ( 4468 PWs) bands (ev): -6.9780 -6.9780 -6.9530 -6.9530 0.8758 0.8758 1.0609 1.0609 1.2794 1.2794 1.4226 1.4226 1.5787 1.5787 1.6696 1.6696 1.9598 1.9598 2.0191 2.0191 2.3518 2.3518 2.4267 2.4267 2.5579 2.5579 2.6948 2.6948 3.0481 3.0481 3.5879 3.5879 3.7269 3.7269 4.2058 4.2058 9.2217 9.2217 9.7264 9.7264 10.0175 10.0175 10.7273 10.7273 k = 0.3878 0.3878 0.3817 ( 4470 PWs) bands (ev): -6.9845 -6.9845 -6.9546 -6.9546 0.8645 0.8645 1.0816 1.0816 1.2728 1.2728 1.4258 1.4258 1.5697 1.5697 1.6534 1.6534 1.9604 1.9604 2.0282 2.0282 2.3269 2.3269 2.4226 2.4226 2.5603 2.5603 2.6661 2.6661 3.0847 3.0847 3.6535 3.6535 3.7317 3.7317 4.2752 4.2752 9.1463 9.1463 9.7140 9.7140 9.9600 9.9600 10.7725 10.7725 k = 0.3776 0.3776 0.3817 ( 4478 PWs) bands (ev): -6.9915 -6.9915 -6.9563 -6.9563 0.8529 0.8529 1.1026 1.1026 1.2669 1.2669 1.4281 1.4281 1.5612 1.5612 1.6345 1.6345 1.9613 1.9613 2.0378 2.0378 2.3031 2.3031 2.4201 2.4201 2.5607 2.5607 2.6457 2.6457 3.1226 3.1226 3.7161 3.7161 3.7396 3.7396 4.3444 4.3444 9.0710 9.0710 9.7004 9.7004 9.9046 9.9046 10.8202 10.8202 k = 0.3673 0.3673 0.3817 ( 4478 PWs) bands (ev): -6.9989 -6.9989 -6.9582 -6.9582 0.8411 0.8411 1.1228 1.1228 1.2620 1.2620 1.4293 1.4293 1.5534 1.5534 1.6136 1.6136 1.9621 1.9621 2.0478 2.0478 2.2804 2.2804 2.4182 2.4182 2.5579 2.5579 2.6362 2.6362 3.1619 3.1619 3.7389 3.7389 3.7870 3.7870 4.4126 4.4126 8.9965 8.9965 9.6856 9.6856 9.8522 9.8522 10.8706 10.8706 k = 0.3571 0.3571 0.3817 ( 4474 PWs) bands (ev): -7.0068 -7.0068 -6.9602 -6.9602 0.8292 0.8292 1.1407 1.1407 1.2592 1.2592 1.4292 1.4292 1.5463 1.5463 1.5923 1.5923 1.9622 1.9622 2.0582 2.0582 2.2592 2.2592 2.4166 2.4166 2.5526 2.5526 2.6374 2.6374 3.2022 3.2022 3.7454 3.7454 3.8499 3.8499 4.4794 4.4794 8.9234 8.9234 9.6696 9.6696 9.8035 9.8035 10.9236 10.9236 k = 0.3469 0.3469 0.3817 ( 4462 PWs) bands (ev): -7.0151 -7.0151 -6.9623 -6.9623 0.8174 0.8174 1.1540 1.1540 1.2598 1.2598 1.4273 1.4273 1.5394 1.5394 1.5724 1.5724 1.9606 1.9606 2.0687 2.0687 2.2400 2.2400 2.4149 2.4149 2.5476 2.5476 2.6469 2.6469 3.2435 3.2435 3.7517 3.7517 3.9119 3.9119 4.5443 4.5443 8.8523 8.8523 9.6523 9.6523 9.7594 9.7594 10.9795 10.9795 k = 0.3367 0.3367 0.3817 ( 4458 PWs) bands (ev): -7.0237 -7.0237 -6.9645 -6.9645 0.8057 0.8057 1.1604 1.1604 1.2650 1.2650 1.4234 1.4234 1.5302 1.5302 1.5583 1.5583 1.9565 1.9565 2.0795 2.0795 2.2239 2.2239 2.4136 2.4136 2.5446 2.5446 2.6623 2.6623 3.2857 3.2857 3.7583 3.7583 3.9721 3.9721 4.6066 4.6066 8.7838 8.7838 9.6337 9.6337 9.7207 9.7207 11.0383 11.0383 k = 0.3265 0.3265 0.3817 ( 4464 PWs) bands (ev): -7.0326 -7.0326 -6.9669 -6.9669 0.7944 0.7944 1.1595 1.1595 1.2737 1.2737 1.4174 1.4174 1.5165 1.5165 1.5539 1.5539 1.9489 1.9489 2.0904 2.0904 2.2118 2.2118 2.4129 2.4129 2.5441 2.5441 2.6825 2.6825 3.3287 3.3287 3.7651 3.7651 4.0301 4.0301 4.6660 4.6660 8.7184 8.7184 9.6139 9.6139 9.6877 9.6877 11.1001 11.1001 k = 0.3163 0.3163 0.3817 ( 4468 PWs) bands (ev): -7.0419 -7.0419 -6.9694 -6.9694 0.7836 0.7836 1.1526 1.1526 1.2829 1.2829 1.4099 1.4099 1.5020 1.5020 1.5568 1.5568 1.9374 1.9374 2.1017 2.1017 2.2048 2.2048 2.4133 2.4133 2.5456 2.5456 2.7066 2.7066 3.3724 3.3724 3.7723 3.7723 4.0855 4.0855 4.7218 4.7218 8.6566 8.6566 9.5934 9.5934 9.6607 9.6607 11.1650 11.1650 k = 0.3061 0.3061 0.3817 ( 4476 PWs) bands (ev): -7.0513 -7.0513 -6.9720 -6.9720 0.7733 0.7733 1.1413 1.1413 1.2887 1.2887 1.4020 1.4020 1.4899 1.4899 1.5644 1.5644 1.9223 1.9223 2.1134 2.1134 2.2029 2.2029 2.4151 2.4151 2.5488 2.5488 2.7342 2.7342 3.4167 3.4167 3.7799 3.7799 4.1378 4.1378 4.7737 4.7737 8.5988 8.5988 9.5729 9.5729 9.6394 9.6394 11.2329 11.2329 k = 0.2959 0.2959 0.3817 ( 4472 PWs) bands (ev): -7.0610 -7.0610 -6.9748 -6.9748 0.7638 0.7638 1.1268 1.1268 1.2885 1.2885 1.3951 1.3951 1.4817 1.4817 1.5754 1.5754 1.9047 1.9047 2.1258 2.1258 2.2058 2.2058 2.4184 2.4184 2.5533 2.5533 2.7650 2.7650 3.4615 3.4615 3.7879 3.7879 4.1870 4.1870 4.8212 4.8212 8.5455 8.5455 9.5532 9.5532 9.6236 9.6236 11.3038 11.3038 k = 0.2857 0.2857 0.3817 ( 4472 PWs) bands (ev): -7.0708 -7.0708 -6.9776 -6.9776 0.7550 0.7550 1.1098 1.1098 1.2818 1.2818 1.3886 1.3886 1.4780 1.4780 1.5885 1.5885 1.8861 1.8861 2.1391 2.1391 2.2128 2.2128 2.4231 2.4231 2.5589 2.5589 2.7984 2.7984 3.5066 3.5066 3.7963 3.7963 4.2326 4.2326 4.8637 4.8637 8.4970 8.4970 9.5342 9.5342 9.6135 9.6135 11.3777 11.3777 k = 0.2755 0.2755 0.3817 ( 4468 PWs) bands (ev): -7.0808 -7.0808 -6.9805 -6.9805 0.7470 0.7470 1.0908 1.0908 1.2699 1.2699 1.3813 1.3813 1.4790 1.4790 1.6019 1.6019 1.8687 1.8687 2.1533 2.1533 2.2230 2.2230 2.4292 2.4292 2.5655 2.5655 2.8343 2.8343 3.5519 3.5519 3.8051 3.8051 4.2745 4.2745 4.9012 4.9012 8.4537 8.4537 9.5156 9.5156 9.6100 9.6100 11.4543 11.4543 k = 0.2653 0.2653 0.3817 ( 4468 PWs) bands (ev): -7.0908 -7.0908 -6.9835 -6.9835 0.7400 0.7400 1.0702 1.0702 1.2551 1.2551 1.3721 1.3721 1.4838 1.4838 1.6129 1.6129 1.8551 1.8551 2.1684 2.1684 2.2360 2.2360 2.4366 2.4366 2.5731 2.5731 2.8721 2.8721 3.5973 3.5973 3.8144 3.8144 4.3125 4.3125 4.9331 4.9331 8.4158 8.4158 9.4969 9.4969 9.6137 9.6137 11.5323 11.5323 k = 0.2551 0.2551 0.3817 ( 4466 PWs) bands (ev): -7.1008 -7.1008 -6.9865 -6.9865 0.7340 0.7340 1.0483 1.0483 1.2387 1.2387 1.3609 1.3609 1.4914 1.4914 1.6191 1.6191 1.8476 1.8476 2.1844 2.1844 2.2515 2.2515 2.4451 2.4451 2.5818 2.5818 2.9118 2.9118 3.6426 3.6426 3.8241 3.8241 4.3466 4.3466 4.9593 4.9593 8.3834 8.3834 9.4780 9.4780 9.6250 9.6250 11.5883 11.5883 k = 0.2449 0.2449 0.3817 ( 4472 PWs) bands (ev): -7.1109 -7.1109 -6.9896 -6.9896 0.7290 0.7290 1.0255 1.0255 1.2217 1.2217 1.3480 1.3480 1.5008 1.5008 1.6182 1.6182 1.8480 1.8480 2.2010 2.2010 2.2693 2.2693 2.4546 2.4546 2.5914 2.5914 2.9528 2.9528 3.6875 3.6875 3.8345 3.8345 4.3766 4.3766 4.9798 4.9798 8.3567 8.3567 9.4589 9.4589 9.6439 9.6439 11.4691 11.4691 k = 0.2347 0.2347 0.3817 ( 4484 PWs) bands (ev): -7.1209 -7.1209 -6.9928 -6.9928 0.7249 0.7249 1.0023 1.0023 1.2047 1.2047 1.3337 1.3337 1.5112 1.5112 1.6102 1.6102 1.8560 1.8560 2.2180 2.2180 2.2894 2.2894 2.4648 2.4648 2.6021 2.6021 2.9950 2.9950 3.7317 3.7317 3.8455 3.8455 4.4026 4.4026 4.9944 4.9944 8.3355 8.3355 9.4397 9.4397 9.6702 9.6702 11.3269 11.3269 k = 0.2245 0.2245 0.3817 ( 4488 PWs) bands (ev): -7.1307 -7.1307 -6.9960 -6.9960 0.7219 0.7219 0.9789 0.9789 1.1879 1.1879 1.3184 1.3184 1.5223 1.5223 1.5967 1.5967 1.8699 1.8699 2.2352 2.2352 2.3118 2.3118 2.4758 2.4758 2.6141 2.6141 3.0382 3.0382 3.7746 3.7746 3.8577 3.8577 4.4248 4.4248 5.0034 5.0034 8.3199 8.3199 9.4204 9.4204 9.7038 9.7038 11.1862 11.1862 k = 0.2143 0.2143 0.3817 ( 4490 PWs) bands (ev): -7.1405 -7.1405 -6.9992 -6.9992 0.7199 0.7199 0.9556 0.9556 1.1715 1.1715 1.3021 1.3021 1.5335 1.5335 1.5799 1.5799 1.8874 1.8874 2.2521 2.2521 2.3363 2.3363 2.4874 2.4874 2.6275 2.6275 3.0820 3.0820 3.8149 3.8149 3.8720 3.8720 4.4433 4.4433 5.0069 5.0069 8.3095 8.3095 9.4013 9.4013 9.7441 9.7441 11.0488 11.0488 k = 0.2041 0.2041 0.3817 ( 4486 PWs) bands (ev): -7.1501 -7.1501 -7.0024 -7.0024 0.7188 0.7188 0.9327 0.9327 1.1556 1.1556 1.2850 1.2850 1.5432 1.5432 1.5630 1.5630 1.9066 1.9066 2.2688 2.2688 2.3628 2.3628 2.4995 2.4995 2.6423 2.6423 3.1262 3.1262 3.8492 3.8492 3.8916 3.8916 4.4584 4.4584 5.0053 5.0053 8.3040 8.3040 9.3825 9.3825 9.7904 9.7904 10.9156 10.9156 k = 0.1939 0.1939 0.3817 ( 4490 PWs) bands (ev): -7.1595 -7.1595 -7.0056 -7.0056 0.7186 0.7186 0.9106 0.9106 1.1401 1.1401 1.2672 1.2672 1.5364 1.5364 1.5621 1.5621 1.9262 1.9262 2.2851 2.2851 2.3907 2.3907 2.5119 2.5119 2.6587 2.6587 3.1706 3.1706 3.8733 3.8733 3.9203 3.9203 4.4705 4.4705 4.9989 4.9989 8.3031 8.3031 9.3641 9.3641 9.8417 9.8417 10.7877 10.7877 k = 0.1837 0.1837 0.3817 ( 4482 PWs) bands (ev): -7.1687 -7.1687 -7.0087 -7.0087 0.7191 0.7191 0.8895 0.8895 1.1252 1.1252 1.2489 1.2489 1.5178 1.5178 1.5729 1.5729 1.9455 1.9455 2.3008 2.3008 2.4196 2.4196 2.5248 2.5248 2.6769 2.6769 3.2149 3.2149 3.8903 3.8903 3.9546 3.9546 4.4801 4.4801 4.9883 4.9883 8.3064 8.3064 9.3462 9.3462 9.8963 9.8963 10.6667 10.6667 k = 0.1735 0.1735 0.3817 ( 4478 PWs) bands (ev): -7.1775 -7.1775 -7.0118 -7.0118 0.7201 0.7201 0.8696 0.8696 1.1109 1.1109 1.2301 1.2301 1.4986 1.4986 1.5849 1.5849 1.9640 1.9640 2.3160 2.3160 2.4486 2.4486 2.5379 2.5379 2.6970 2.6970 3.2588 3.2588 3.9049 3.9049 3.9894 3.9894 4.4877 4.4877 4.9740 4.9740 8.3133 8.3133 9.3288 9.3288 9.9512 9.9512 10.5555 10.5555 k = 0.1633 0.1633 0.3817 ( 4468 PWs) bands (ev): -7.1861 -7.1861 -7.0149 -7.0149 0.7213 0.7213 0.8514 0.8514 1.0973 1.0973 1.2111 1.2111 1.4798 1.4798 1.5968 1.5968 1.9815 1.9815 2.3306 2.3306 2.4771 2.4771 2.5512 2.5512 2.7191 2.7191 3.3020 3.3020 3.9187 3.9187 4.0225 4.0225 4.4939 4.4939 4.9567 4.9567 8.3234 8.3234 9.3120 9.3120 9.9995 9.9995 10.4605 10.4605 k = 0.1531 0.1531 0.3817 ( 4468 PWs) bands (ev): -7.1943 -7.1943 -7.0178 -7.0178 0.7223 0.7223 0.8354 0.8354 1.0842 1.0842 1.1919 1.1919 1.4618 1.4618 1.6086 1.6086 1.9979 1.9979 2.3445 2.3445 2.5044 2.5044 2.5646 2.5646 2.7432 2.7432 3.3443 3.3443 3.9322 3.9322 4.0528 4.0528 4.4993 4.4993 4.9369 4.9369 8.3361 8.3361 9.2960 9.2960 10.0269 10.0269 10.3955 10.3955 k = 0.1429 0.1429 0.3817 ( 4486 PWs) bands (ev): -7.2021 -7.2021 -7.0207 -7.0207 0.7224 0.7224 0.8222 0.8222 1.0717 1.0717 1.1727 1.1727 1.4446 1.4446 1.6200 1.6200 2.0133 2.0133 2.3577 2.3577 2.5302 2.5302 2.5780 2.5780 2.7691 2.7691 3.3855 3.3855 3.9456 3.9456 4.0796 4.0796 4.5047 4.5047 4.9154 4.9154 8.3509 8.3509 9.2807 9.2807 10.0136 10.0136 10.3796 10.3796 k = 0.1327 0.1327 0.3817 ( 4486 PWs) bands (ev): -7.2096 -7.2096 -7.0234 -7.0234 0.7208 0.7208 0.8126 0.8126 1.0599 1.0599 1.1537 1.1537 1.4285 1.4285 1.6310 1.6310 2.0276 2.0276 2.3703 2.3703 2.5540 2.5540 2.5914 2.5914 2.7966 2.7966 3.4253 3.4253 3.9588 3.9588 4.1024 4.1024 4.5105 4.5105 4.8928 4.8928 8.3673 8.3673 9.2661 9.2661 9.9602 9.9602 10.4096 10.4096 k = 0.1224 0.1224 0.3817 ( 4486 PWs) bands (ev): -7.2165 -7.2165 -7.0260 -7.0260 0.7169 0.7169 0.8073 0.8073 1.0488 1.0488 1.1351 1.1351 1.4135 1.4135 1.6414 1.6414 2.0409 2.0409 2.3820 2.3820 2.5757 2.5757 2.6046 2.6046 2.8251 2.8251 3.4634 3.4634 3.9715 3.9715 4.1211 4.1211 4.5172 4.5172 4.8699 4.8699 8.3849 8.3849 9.2524 9.2524 9.8871 9.8871 10.4434 10.4434 k = 0.1122 0.1122 0.3817 ( 4474 PWs) bands (ev): -7.2231 -7.2231 -7.0285 -7.0285 0.7108 0.7108 0.8060 0.8060 1.0383 1.0383 1.1170 1.1170 1.3995 1.3995 1.6513 1.6513 2.0533 2.0533 2.3928 2.3928 2.5955 2.5955 2.6177 2.6177 2.8541 2.8541 3.4996 3.4996 3.9835 3.9835 4.1358 4.1358 4.5247 4.5247 4.8474 4.8474 8.4031 8.4031 9.2394 9.2394 9.8087 9.8087 10.3925 10.3925 k = 0.1020 0.1020 0.3817 ( 4470 PWs) bands (ev): -7.2291 -7.2291 -7.0308 -7.0308 0.7031 0.7031 0.8083 0.8083 1.0284 1.0284 1.0996 1.0996 1.3865 1.3865 1.6604 1.6604 2.0648 2.0648 2.4028 2.4028 2.6130 2.6130 2.6305 2.6305 2.8828 2.8828 3.5338 3.5338 3.9944 3.9944 4.1469 4.1469 4.5328 4.5328 4.8260 4.8260 8.4216 8.4216 9.2273 9.2273 9.7313 9.7313 10.3194 10.3194 k = 0.0918 0.0918 0.3817 ( 4468 PWs) bands (ev): -7.2347 -7.2347 -7.0329 -7.0329 0.6946 0.6946 0.8130 0.8130 1.0191 1.0191 1.0831 1.0831 1.3747 1.3747 1.6688 1.6688 2.0754 2.0754 2.4119 2.4119 2.6283 2.6283 2.6431 2.6431 2.9107 2.9107 3.5657 3.5657 4.0036 4.0036 4.1554 4.1554 4.5409 4.5409 4.8065 4.8065 8.4400 8.4400 9.2161 9.2161 9.6579 9.6579 10.2493 10.2493 k = 0.0816 0.0816 0.3817 ( 4476 PWs) bands (ev): -7.2397 -7.2397 -7.0349 -7.0349 0.6859 0.6859 0.8195 0.8195 1.0102 1.0102 1.0675 1.0675 1.3639 1.3639 1.6764 1.6764 2.0849 2.0849 2.4200 2.4200 2.6414 2.6414 2.6555 2.6555 2.9371 2.9371 3.5951 3.5951 4.0106 4.0106 4.1621 4.1621 4.5482 4.5482 4.7896 4.7896 8.4578 8.4578 9.2057 9.2057 9.5900 9.5900 10.1850 10.1850 k = 0.0714 0.0714 0.3817 ( 4480 PWs) bands (ev): -7.2441 -7.2441 -7.0366 -7.0366 0.6777 0.6777 0.8272 0.8272 1.0016 1.0016 1.0533 1.0533 1.3542 1.3542 1.6831 1.6831 2.0935 2.0935 2.4273 2.4273 2.6524 2.6524 2.6674 2.6674 2.9616 2.9616 3.6220 3.6220 4.0151 4.0151 4.1682 4.1682 4.5538 4.5538 4.7760 4.7760 8.4746 8.4746 9.1963 9.1963 9.5286 9.5286 10.1272 10.1272 k = 0.0612 0.0612 0.3817 ( 4484 PWs) bands (ev): -7.2480 -7.2480 -7.0382 -7.0382 0.6703 0.6703 0.8356 0.8356 0.9933 0.9933 1.0406 1.0406 1.3457 1.3457 1.6890 1.6890 2.1011 2.1011 2.4336 2.4336 2.6617 2.6617 2.6784 2.6784 2.9836 2.9836 3.6460 3.6460 4.0170 4.0170 4.1741 4.1741 4.5571 4.5571 4.7661 4.7661 8.4902 8.4902 9.1879 9.1879 9.4743 9.4743 10.0764 10.0764 k = 0.0510 0.0510 0.3817 ( 4484 PWs) bands (ev): -7.2514 -7.2514 -7.0395 -7.0395 0.6637 0.6637 0.8442 0.8442 0.9851 0.9851 1.0298 1.0298 1.3383 1.3383 1.6939 1.6939 2.1077 2.1077 2.4389 2.4389 2.6694 2.6694 2.6882 2.6882 3.0029 3.0029 3.6671 3.6671 4.0167 4.0167 4.1800 4.1800 4.5581 4.5581 4.7596 4.7596 8.5042 8.5042 9.1805 9.1805 9.4276 9.4276 10.0329 10.0329 k = 0.0408 0.0408 0.3817 ( 4488 PWs) bands (ev): -7.2541 -7.2541 -7.0406 -7.0406 0.6583 0.6583 0.8529 0.8529 0.9769 0.9769 1.0211 1.0211 1.3323 1.3323 1.6980 1.6980 2.1131 2.1131 2.4432 2.4432 2.6756 2.6756 2.6965 2.6965 3.0190 3.0190 3.6850 3.6850 4.0147 4.0147 4.1858 4.1858 4.5572 4.5572 4.7561 4.7561 8.5162 8.5162 9.1742 9.1742 9.3888 9.3888 9.9970 9.9970 k = 0.0306 0.0306 0.3817 ( 4492 PWs) bands (ev): -7.2562 -7.2562 -7.0414 -7.0414 0.6539 0.6539 0.8609 0.8609 0.9691 0.9691 1.0146 1.0146 1.3275 1.3275 1.7012 1.7012 2.1174 2.1174 2.4466 2.4466 2.6805 2.6805 2.7032 2.7032 3.0317 3.0317 3.6994 3.6994 4.0119 4.0119 4.1911 4.1911 4.5552 4.5552 4.7547 4.7547 8.5258 8.5258 9.1692 9.1692 9.3584 9.3584 9.9688 9.9688 k = 0.0204 0.0204 0.3817 ( 4500 PWs) bands (ev): -7.2578 -7.2578 -7.0420 -7.0420 0.6508 0.6508 0.8678 0.8678 0.9623 0.9623 1.0100 1.0100 1.3241 1.3241 1.7034 1.7034 2.1205 2.1205 2.4490 2.4490 2.6839 2.6839 2.7080 2.7080 3.0409 3.0409 3.7100 3.7100 4.0092 4.0092 4.1954 4.1954 4.5529 4.5529 4.7544 4.7544 8.5330 8.5330 9.1655 9.1655 9.3365 9.3365 9.9485 9.9485 k = 0.0102 0.0102 0.3817 ( 4508 PWs) bands (ev): -7.2587 -7.2587 -7.0424 -7.0424 0.6489 0.6489 0.8726 0.8726 0.9575 0.9575 1.0074 1.0074 1.3220 1.3220 1.7048 1.7048 2.1224 2.1224 2.4504 2.4504 2.6860 2.6860 2.7110 2.7110 3.0465 3.0465 3.7164 3.7164 4.0072 4.0072 4.1981 4.1981 4.5512 4.5512 4.7546 4.7546 8.5373 8.5373 9.1632 9.1632 9.3233 9.3233 9.9363 9.9363 k = 0.0000 0.0000 0.3817 ( 4512 PWs) bands (ev): -7.2590 -7.2590 -7.0425 -7.0425 0.6483 0.6483 0.8743 0.8743 0.9557 0.9557 1.0065 1.0065 1.3212 1.3212 1.7053 1.7053 2.1230 2.1230 2.4509 2.4509 2.6867 2.6867 2.7120 2.7120 3.0484 3.0484 3.7186 3.7186 4.0065 4.0065 4.1990 4.1990 4.5506 4.5506 4.7547 4.7547 8.5388 8.5388 9.1625 9.1625 9.3189 9.3189 9.9323 9.9323 k = 0.0000 0.5000-0.0000 ( 4510 PWs) bands (ev): -7.0524 -7.0524 -7.0524 -7.0524 0.9778 0.9778 0.9778 0.9778 1.3287 1.3287 1.3287 1.3287 1.7698 1.7698 1.7698 1.7698 1.9815 1.9815 1.9815 1.9815 2.2940 2.2940 2.2940 2.2940 2.4202 2.4202 2.4202 2.4202 3.8764 3.8764 3.8764 3.8764 4.5325 4.5325 4.5325 4.5325 8.9248 8.9248 8.9248 8.9248 10.1929 10.1929 10.1929 10.1929 k = 0.0000 0.5000 0.0141 ( 4498 PWs) bands (ev): -7.0524 -7.0524 -7.0524 -7.0524 0.9776 0.9776 0.9776 0.9776 1.3287 1.3287 1.3287 1.3287 1.7695 1.7695 1.7695 1.7695 1.9804 1.9804 1.9804 1.9804 2.2939 2.2939 2.2939 2.2939 2.4201 2.4201 2.4201 2.4201 3.8791 3.8791 3.8791 3.8791 4.5331 4.5331 4.5331 4.5331 8.9193 8.9193 8.9193 8.9193 10.1973 10.1973 10.1973 10.1973 k = 0.0000 0.5000 0.0283 ( 4502 PWs) bands (ev): -7.0523 -7.0523 -7.0523 -7.0523 0.9772 0.9772 0.9772 0.9772 1.3286 1.3286 1.3286 1.3286 1.7686 1.7686 1.7686 1.7686 1.9773 1.9773 1.9773 1.9773 2.2936 2.2936 2.2936 2.2936 2.4197 2.4197 2.4197 2.4197 3.8871 3.8871 3.8871 3.8871 4.5346 4.5346 4.5346 4.5346 8.9031 8.9031 8.9031 8.9031 10.2102 10.2102 10.2102 10.2102 k = 0.0000 0.5000 0.0424 ( 4494 PWs) bands (ev): -7.0522 -7.0522 -7.0522 -7.0522 0.9766 0.9766 0.9766 0.9766 1.3284 1.3284 1.3284 1.3284 1.7670 1.7670 1.7670 1.7670 1.9723 1.9723 1.9723 1.9723 2.2932 2.2932 2.2932 2.2932 2.4191 2.4191 2.4191 2.4191 3.9002 3.9002 3.9002 3.9002 4.5372 4.5372 4.5372 4.5372 8.8768 8.8768 8.8768 8.8768 10.2311 10.2311 10.2311 10.2311 k = 0.0000 0.5000 0.0565 ( 4494 PWs) bands (ev): -7.0519 -7.0519 -7.0519 -7.0519 0.9756 0.9756 0.9756 0.9756 1.3282 1.3282 1.3282 1.3282 1.7646 1.7646 1.7646 1.7646 1.9655 1.9655 1.9655 1.9655 2.2926 2.2926 2.2926 2.2926 2.4182 2.4182 2.4182 2.4182 3.9181 3.9181 3.9181 3.9181 4.5408 4.5408 4.5408 4.5408 8.8415 8.8415 8.8415 8.8415 10.2592 10.2592 10.2592 10.2592 k = 0.0000 0.5000 0.0707 ( 4478 PWs) bands (ev): -7.0517 -7.0517 -7.0517 -7.0517 0.9744 0.9744 0.9744 0.9744 1.3280 1.3280 1.3280 1.3280 1.7615 1.7615 1.7615 1.7615 1.9574 1.9574 1.9574 1.9574 2.2920 2.2920 2.2920 2.2920 2.4173 2.4173 2.4173 2.4173 3.9405 3.9405 3.9405 3.9405 4.5455 4.5455 4.5455 4.5455 8.7984 8.7984 8.7984 8.7984 10.2937 10.2937 10.2937 10.2937 k = 0.0000 0.5000 0.0848 ( 4484 PWs) bands (ev): -7.0513 -7.0513 -7.0513 -7.0513 0.9730 0.9730 0.9730 0.9730 1.3277 1.3277 1.3277 1.3277 1.7574 1.7574 1.7574 1.7574 1.9481 1.9481 1.9481 1.9481 2.2912 2.2912 2.2912 2.2912 2.4162 2.4162 2.4162 2.4162 3.9669 3.9669 3.9669 3.9669 4.5512 4.5512 4.5512 4.5512 8.7489 8.7489 8.7489 8.7489 10.3337 10.3337 10.3337 10.3337 k = 0.0000 0.5000 0.0990 ( 4484 PWs) bands (ev): -7.0510 -7.0510 -7.0510 -7.0510 0.9712 0.9712 0.9712 0.9712 1.3274 1.3274 1.3274 1.3274 1.7524 1.7524 1.7524 1.7524 1.9381 1.9381 1.9381 1.9381 2.2904 2.2904 2.2904 2.2904 2.4151 2.4151 2.4151 2.4151 3.9967 3.9967 3.9967 3.9967 4.5580 4.5580 4.5580 4.5580 8.6940 8.6940 8.6940 8.6940 10.3785 10.3785 10.3785 10.3785 k = 0.0000 0.5000 0.1131 ( 4496 PWs) bands (ev): -7.0505 -7.0505 -7.0505 -7.0505 0.9692 0.9692 0.9692 0.9692 1.3270 1.3270 1.3270 1.3270 1.7462 1.7462 1.7462 1.7462 1.9279 1.9279 1.9279 1.9279 2.2895 2.2895 2.2895 2.2895 2.4139 2.4139 2.4139 2.4139 4.0293 4.0293 4.0293 4.0293 4.5660 4.5660 4.5660 4.5660 8.6351 8.6351 8.6351 8.6351 10.4274 10.4274 10.4274 10.4274 k = 0.0000 0.5000 0.1272 ( 4484 PWs) bands (ev): -7.0501 -7.0501 -7.0501 -7.0501 0.9670 0.9670 0.9670 0.9670 1.3267 1.3267 1.3267 1.3267 1.7389 1.7389 1.7389 1.7389 1.9177 1.9177 1.9177 1.9177 2.2888 2.2888 2.2888 2.2888 2.4128 2.4128 2.4128 2.4128 4.0641 4.0641 4.0641 4.0641 4.5751 4.5751 4.5751 4.5751 8.5730 8.5730 8.5730 8.5730 10.4799 10.4799 10.4799 10.4799 k = 0.0000 0.5000 0.1414 ( 4472 PWs) bands (ev): -7.0496 -7.0496 -7.0496 -7.0496 0.9646 0.9646 0.9646 0.9646 1.3264 1.3264 1.3264 1.3264 1.7304 1.7304 1.7304 1.7304 1.9081 1.9081 1.9081 1.9081 2.2880 2.2880 2.2880 2.2880 2.4117 2.4117 2.4117 2.4117 4.1005 4.1005 4.1005 4.1005 4.5856 4.5856 4.5856 4.5856 8.5088 8.5088 8.5088 8.5088 10.5356 10.5356 10.5356 10.5356 k = 0.0000 0.5000 0.1555 ( 4484 PWs) bands (ev): -7.0491 -7.0491 -7.0491 -7.0491 0.9619 0.9619 0.9619 0.9619 1.3261 1.3261 1.3261 1.3261 1.7207 1.7207 1.7207 1.7207 1.8991 1.8991 1.8991 1.8991 2.2872 2.2872 2.2872 2.2872 2.4106 2.4106 2.4106 2.4106 4.1377 4.1377 4.1377 4.1377 4.5974 4.5974 4.5974 4.5974 8.4433 8.4433 8.4433 8.4433 10.5941 10.5941 10.5941 10.5941 k = 0.0000 0.5000 0.1696 ( 4482 PWs) bands (ev): -7.0485 -7.0485 -7.0485 -7.0485 0.9591 0.9591 0.9591 0.9591 1.3258 1.3258 1.3258 1.3258 1.7100 1.7100 1.7100 1.7100 1.8911 1.8911 1.8911 1.8911 2.2866 2.2866 2.2866 2.2866 2.4096 2.4096 2.4096 2.4096 4.1751 4.1751 4.1751 4.1751 4.6106 4.6106 4.6106 4.6106 8.3773 8.3773 8.3773 8.3773 10.6550 10.6550 10.6550 10.6550 k = 0.0000 0.5000 0.1838 ( 4478 PWs) bands (ev): -7.0480 -7.0480 -7.0480 -7.0480 0.9561 0.9561 0.9561 0.9561 1.3256 1.3256 1.3256 1.3256 1.6984 1.6984 1.6984 1.6984 1.8841 1.8841 1.8841 1.8841 2.2859 2.2859 2.2859 2.2859 2.4087 2.4087 2.4087 2.4087 4.2118 4.2118 4.2118 4.2118 4.6254 4.6254 4.6254 4.6254 8.3115 8.3115 8.3115 8.3115 10.7182 10.7182 10.7182 10.7182 k = 0.0000 0.5000 0.1979 ( 4478 PWs) bands (ev): -7.0474 -7.0474 -7.0474 -7.0474 0.9529 0.9529 0.9529 0.9529 1.3254 1.3254 1.3254 1.3254 1.6862 1.6862 1.6862 1.6862 1.8780 1.8780 1.8780 1.8780 2.2854 2.2854 2.2854 2.2854 2.4078 2.4078 2.4078 2.4078 4.2473 4.2473 4.2473 4.2473 4.6419 4.6419 4.6419 4.6419 8.2465 8.2465 8.2465 8.2465 10.7831 10.7831 10.7831 10.7831 k = 0.0000 0.5000 0.2120 ( 4472 PWs) bands (ev): -7.0469 -7.0469 -7.0469 -7.0469 0.9497 0.9497 0.9497 0.9497 1.3253 1.3253 1.3253 1.3253 1.6738 1.6738 1.6738 1.6738 1.8729 1.8729 1.8729 1.8729 2.2848 2.2848 2.2848 2.2848 2.4070 2.4070 2.4070 2.4070 4.2808 4.2808 4.2808 4.2808 4.6600 4.6600 4.6600 4.6600 8.1830 8.1830 8.1830 8.1830 10.8495 10.8495 10.8495 10.8495 k = 0.0000 0.5000 0.2262 ( 4472 PWs) bands (ev): -7.0463 -7.0463 -7.0463 -7.0463 0.9465 0.9465 0.9465 0.9465 1.3253 1.3253 1.3253 1.3253 1.6613 1.6613 1.6613 1.6613 1.8686 1.8686 1.8686 1.8686 2.2844 2.2844 2.2844 2.2844 2.4063 2.4063 2.4063 2.4063 4.3118 4.3118 4.3118 4.3118 4.6797 4.6797 4.6797 4.6797 8.1217 8.1217 8.1217 8.1217 10.9168 10.9168 10.9168 10.9168 k = 0.0000 0.5000 0.2403 ( 4470 PWs) bands (ev): -7.0458 -7.0458 -7.0458 -7.0458 0.9432 0.9432 0.9432 0.9432 1.3253 1.3253 1.3253 1.3253 1.6491 1.6491 1.6491 1.6491 1.8649 1.8649 1.8649 1.8649 2.2840 2.2840 2.2840 2.2840 2.4057 2.4057 2.4057 2.4057 4.3399 4.3399 4.3399 4.3399 4.7009 4.7009 4.7009 4.7009 8.0630 8.0630 8.0630 8.0630 10.9845 10.9845 10.9845 10.9845 k = 0.0000 0.5000 0.2544 ( 4470 PWs) bands (ev): -7.0453 -7.0453 -7.0453 -7.0453 0.9401 0.9401 0.9401 0.9401 1.3254 1.3254 1.3254 1.3254 1.6374 1.6374 1.6374 1.6374 1.8620 1.8620 1.8620 1.8620 2.2836 2.2836 2.2836 2.2836 2.4051 2.4051 2.4051 2.4051 4.3648 4.3648 4.3648 4.3648 4.7231 4.7231 4.7231 4.7231 8.0076 8.0076 8.0076 8.0076 11.0517 11.0517 11.0517 11.0517 k = 0.0000 0.5000 0.2686 ( 4460 PWs) bands (ev): -7.0449 -7.0449 -7.0449 -7.0449 0.9370 0.9370 0.9370 0.9370 1.3255 1.3255 1.3255 1.3255 1.6264 1.6264 1.6264 1.6264 1.8595 1.8595 1.8595 1.8595 2.2833 2.2833 2.2833 2.2833 2.4046 2.4046 2.4046 2.4046 4.3865 4.3865 4.3865 4.3865 4.7457 4.7457 4.7457 4.7457 7.9561 7.9561 7.9561 7.9561 11.1176 11.1176 11.1176 11.1176 k = 0.0000 0.5000 0.2827 ( 4464 PWs) bands (ev): -7.0444 -7.0444 -7.0444 -7.0444 0.9342 0.9342 0.9342 0.9342 1.3257 1.3257 1.3257 1.3257 1.6163 1.6163 1.6163 1.6163 1.8575 1.8575 1.8575 1.8575 2.2830 2.2830 2.2830 2.2830 2.4041 2.4041 2.4041 2.4041 4.4049 4.4049 4.4049 4.4049 4.7682 4.7682 4.7682 4.7682 7.9089 7.9089 7.9089 7.9089 11.1808 11.1808 11.1808 11.1808 k = 0.0000 0.5000 0.2969 ( 4464 PWs) bands (ev): -7.0441 -7.0441 -7.0441 -7.0441 0.9315 0.9315 0.9315 0.9315 1.3259 1.3259 1.3259 1.3259 1.6073 1.6073 1.6073 1.6073 1.8558 1.8558 1.8558 1.8558 2.2828 2.2828 2.2828 2.2828 2.4037 2.4037 2.4037 2.4037 4.4204 4.4204 4.4204 4.4204 4.7897 4.7897 4.7897 4.7897 7.8667 7.8667 7.8667 7.8667 11.2396 11.2396 11.2396 11.2396 k = 0.0000 0.5000 0.3110 ( 4448 PWs) bands (ev): -7.0437 -7.0437 -7.0437 -7.0437 0.9292 0.9292 0.9292 0.9292 1.3262 1.3262 1.3262 1.3262 1.5995 1.5995 1.5995 1.5995 1.8545 1.8545 1.8545 1.8545 2.2826 2.2826 2.2826 2.2826 2.4034 2.4034 2.4034 2.4034 4.4330 4.4330 4.4330 4.4330 4.8095 4.8095 4.8095 4.8095 7.8300 7.8300 7.8300 7.8300 11.2904 11.2904 11.2904 11.2904 k = 0.0000 0.5000 0.3251 ( 4436 PWs) bands (ev): -7.0434 -7.0434 -7.0434 -7.0434 0.9272 0.9272 0.9272 0.9272 1.3264 1.3264 1.3264 1.3264 1.5930 1.5930 1.5930 1.5930 1.8535 1.8535 1.8535 1.8535 2.2825 2.2825 2.2825 2.2825 2.4032 2.4032 2.4032 2.4032 4.4430 4.4430 4.4430 4.4430 4.8268 4.8268 4.8268 4.8268 7.7993 7.7993 7.7993 7.7993 11.3217 11.3217 11.3217 11.3217 k = 0.0000 0.5000 0.3393 ( 4448 PWs) bands (ev): -7.0432 -7.0432 -7.0432 -7.0432 0.9257 0.9257 0.9257 0.9257 1.3266 1.3266 1.3266 1.3266 1.5879 1.5879 1.5879 1.5879 1.8527 1.8527 1.8527 1.8527 2.2823 2.2823 2.2823 2.2823 2.4030 2.4030 2.4030 2.4030 4.4505 4.4505 4.4505 4.4505 4.8410 4.8410 4.8410 4.8410 7.7748 7.7748 7.7748 7.7748 11.3224 11.3224 11.3224 11.3224 k = 0.0000 0.5000 0.3534 ( 4452 PWs) bands (ev): -7.0431 -7.0431 -7.0431 -7.0431 0.9245 0.9245 0.9245 0.9245 1.3267 1.3267 1.3267 1.3267 1.5842 1.5842 1.5842 1.5842 1.8522 1.8522 1.8522 1.8522 2.2822 2.2822 2.2822 2.2822 2.4028 2.4028 2.4028 2.4028 4.4558 4.4558 4.4558 4.4558 4.8515 4.8515 4.8515 4.8515 7.7571 7.7571 7.7571 7.7571 11.3146 11.3146 11.3146 11.3146 k = 0.0000 0.5000 0.3675 ( 4452 PWs) bands (ev): -7.0430 -7.0430 -7.0430 -7.0430 0.9238 0.9238 0.9238 0.9238 1.3268 1.3268 1.3268 1.3268 1.5819 1.5819 1.5819 1.5819 1.8519 1.8519 1.8519 1.8519 2.2822 2.2822 2.2822 2.2822 2.4027 2.4027 2.4027 2.4027 4.4590 4.4590 4.4590 4.4590 4.8580 4.8580 4.8580 4.8580 7.7464 7.7464 7.7464 7.7464 11.3086 11.3086 11.3086 11.3086 k = 0.0000 0.5000 0.3817 ( 4444 PWs) bands (ev): -7.0429 -7.0429 -7.0429 -7.0429 0.9236 0.9236 0.9236 0.9236 1.3269 1.3269 1.3269 1.3269 1.5812 1.5812 1.5812 1.5812 1.8518 1.8518 1.8518 1.8518 2.2822 2.2822 2.2822 2.2822 2.4027 2.4027 2.4027 2.4027 4.4600 4.4600 4.4600 4.4600 4.8602 4.8602 4.8602 4.8602 7.7428 7.7428 7.7428 7.7428 11.3065 11.3065 11.3065 11.3065 k = 0.5000 0.5000-0.0000 ( 4484 PWs) bands (ev): -6.9474 -6.9474 -6.9474 -6.9474 0.5917 0.5917 0.5917 0.5917 1.4028 1.4028 1.4028 1.4028 1.6135 1.6135 1.6135 1.6135 1.9829 1.9829 1.9829 1.9829 2.5132 2.5132 2.5132 2.5132 3.3201 3.3201 3.3201 3.3201 3.3986 3.3986 3.3986 3.3986 3.8114 3.8114 3.8114 3.8114 8.5150 8.5150 8.5150 8.5150 8.6052 8.6052 8.6052 8.6052 k = 0.5000 0.5000 0.0141 ( 4484 PWs) bands (ev): -6.9474 -6.9474 -6.9474 -6.9474 0.5926 0.5926 0.5926 0.5926 1.4031 1.4031 1.4031 1.4031 1.6134 1.6134 1.6134 1.6134 1.9829 1.9829 1.9829 1.9829 2.5132 2.5132 2.5132 2.5132 3.3163 3.3163 3.3163 3.3163 3.3997 3.3997 3.3997 3.3997 3.8104 3.8104 3.8104 3.8104 8.5186 8.5186 8.5186 8.5186 8.6096 8.6096 8.6096 8.6096 k = 0.5000 0.5000 0.0283 ( 4460 PWs) bands (ev): -6.9473 -6.9473 -6.9473 -6.9473 0.5951 0.5951 0.5951 0.5951 1.4040 1.4040 1.4040 1.4040 1.6133 1.6133 1.6133 1.6133 1.9830 1.9830 1.9830 1.9830 2.5133 2.5133 2.5133 2.5133 3.3058 3.3058 3.3058 3.3058 3.4021 3.4021 3.4021 3.4021 3.8076 3.8076 3.8076 3.8076 8.5294 8.5294 8.5294 8.5294 8.6227 8.6227 8.6227 8.6227 k = 0.5000 0.5000 0.0424 ( 4472 PWs) bands (ev): -6.9473 -6.9473 -6.9473 -6.9473 0.5993 0.5993 0.5993 0.5993 1.4052 1.4052 1.4052 1.4052 1.6129 1.6129 1.6129 1.6129 1.9830 1.9830 1.9830 1.9830 2.5132 2.5132 2.5132 2.5132 3.2899 3.2899 3.2899 3.2899 3.4043 3.4043 3.4043 3.4043 3.8030 3.8030 3.8030 3.8030 8.5473 8.5473 8.5473 8.5473 8.6444 8.6444 8.6444 8.6444 k = 0.5000 0.5000 0.0565 ( 4464 PWs) bands (ev): -6.9473 -6.9473 -6.9473 -6.9473 0.6051 0.6051 0.6051 0.6051 1.4070 1.4070 1.4070 1.4070 1.6126 1.6126 1.6126 1.6126 1.9830 1.9830 1.9830 1.9830 2.5132 2.5132 2.5132 2.5132 3.2701 3.2701 3.2701 3.2701 3.4052 3.4052 3.4052 3.4052 3.7971 3.7971 3.7971 3.7971 8.5722 8.5722 8.5722 8.5722 8.6746 8.6746 8.6746 8.6746 k = 0.5000 0.5000 0.0707 ( 4468 PWs) bands (ev): -6.9472 -6.9472 -6.9472 -6.9472 0.6126 0.6126 0.6126 0.6126 1.4091 1.4091 1.4091 1.4091 1.6121 1.6121 1.6121 1.6121 1.9830 1.9830 1.9830 1.9830 2.5131 2.5131 2.5131 2.5131 3.2472 3.2472 3.2472 3.2472 3.4039 3.4039 3.4039 3.4039 3.7899 3.7899 3.7899 3.7899 8.6037 8.6037 8.6037 8.6037 8.7130 8.7130 8.7130 8.7130 k = 0.5000 0.5000 0.0848 ( 4468 PWs) bands (ev): -6.9472 -6.9472 -6.9472 -6.9472 0.6217 0.6217 0.6217 0.6217 1.4115 1.4115 1.4115 1.4115 1.6117 1.6117 1.6117 1.6117 1.9830 1.9830 1.9830 1.9830 2.5130 2.5130 2.5130 2.5130 3.2217 3.2217 3.2217 3.2217 3.4000 3.4000 3.4000 3.4000 3.7820 3.7820 3.7820 3.7820 8.6416 8.6416 8.6416 8.6416 8.7593 8.7593 8.7593 8.7593 k = 0.5000 0.5000 0.0990 ( 4484 PWs) bands (ev): -6.9471 -6.9471 -6.9471 -6.9471 0.6322 0.6322 0.6322 0.6322 1.4141 1.4141 1.4141 1.4141 1.6113 1.6113 1.6113 1.6113 1.9829 1.9829 1.9829 1.9829 2.5129 2.5129 2.5129 2.5129 3.1940 3.1940 3.1940 3.1940 3.3933 3.3933 3.3933 3.3933 3.7737 3.7737 3.7737 3.7737 8.6855 8.6855 8.6855 8.6855 8.8132 8.8132 8.8132 8.8132 k = 0.5000 0.5000 0.1131 ( 4492 PWs) bands (ev): -6.9470 -6.9470 -6.9470 -6.9470 0.6443 0.6443 0.6443 0.6443 1.4168 1.4168 1.4168 1.4168 1.6110 1.6110 1.6110 1.6110 1.9828 1.9828 1.9828 1.9828 2.5128 2.5128 2.5128 2.5128 3.1646 3.1646 3.1646 3.1646 3.3837 3.3837 3.3837 3.3837 3.7654 3.7654 3.7654 3.7654 8.7349 8.7349 8.7349 8.7349 8.8743 8.8743 8.8743 8.8743 k = 0.5000 0.5000 0.1272 ( 4476 PWs) bands (ev): -6.9469 -6.9469 -6.9469 -6.9469 0.6578 0.6578 0.6578 0.6578 1.4194 1.4194 1.4194 1.4194 1.6110 1.6110 1.6110 1.6110 1.9827 1.9827 1.9827 1.9827 2.5127 2.5127 2.5127 2.5127 3.1338 3.1338 3.1338 3.1338 3.3713 3.3713 3.3713 3.3713 3.7574 3.7574 3.7574 3.7574 8.7893 8.7893 8.7893 8.7893 8.9423 8.9423 8.9423 8.9423 k = 0.5000 0.5000 0.1414 ( 4468 PWs) bands (ev): -6.9468 -6.9468 -6.9468 -6.9468 0.6726 0.6726 0.6726 0.6726 1.4217 1.4217 1.4217 1.4217 1.6113 1.6113 1.6113 1.6113 1.9825 1.9825 1.9825 1.9825 2.5126 2.5126 2.5126 2.5126 3.1019 3.1019 3.1019 3.1019 3.3562 3.3562 3.3562 3.3562 3.7500 3.7500 3.7500 3.7500 8.8482 8.8482 8.8482 8.8482 9.0167 9.0167 9.0167 9.0167 k = 0.5000 0.5000 0.1555 ( 4456 PWs) bands (ev): -6.9467 -6.9467 -6.9467 -6.9467 0.6887 0.6887 0.6887 0.6887 1.4235 1.4235 1.4235 1.4235 1.6121 1.6121 1.6121 1.6121 1.9823 1.9823 1.9823 1.9823 2.5125 2.5125 2.5125 2.5125 3.0692 3.0692 3.0692 3.0692 3.3387 3.3387 3.3387 3.3387 3.7432 3.7432 3.7432 3.7432 8.9110 8.9110 8.9110 8.9110 9.0970 9.0970 9.0970 9.0970 k = 0.5000 0.5000 0.1696 ( 4448 PWs) bands (ev): -6.9466 -6.9466 -6.9466 -6.9466 0.7058 0.7058 0.7058 0.7058 1.4246 1.4246 1.4246 1.4246 1.6134 1.6134 1.6134 1.6134 1.9821 1.9821 1.9821 1.9821 2.5123 2.5123 2.5123 2.5123 3.0363 3.0363 3.0363 3.0363 3.3192 3.3192 3.3192 3.3192 3.7372 3.7372 3.7372 3.7372 8.9771 8.9771 8.9771 8.9771 9.1828 9.1828 9.1828 9.1828 k = 0.5000 0.5000 0.1838 ( 4472 PWs) bands (ev): -6.9465 -6.9465 -6.9465 -6.9465 0.7240 0.7240 0.7240 0.7240 1.4248 1.4248 1.4248 1.4248 1.6153 1.6153 1.6153 1.6153 1.9816 1.9816 1.9816 1.9816 2.5120 2.5120 2.5120 2.5120 3.0032 3.0032 3.0032 3.0032 3.2979 3.2979 3.2979 3.2979 3.7319 3.7319 3.7319 3.7319 9.0456 9.0456 9.0456 9.0456 9.2735 9.2735 9.2735 9.2735 k = 0.5000 0.5000 0.1979 ( 4472 PWs) bands (ev): -6.9464 -6.9464 -6.9464 -6.9464 0.7430 0.7430 0.7430 0.7430 1.4240 1.4240 1.4240 1.4240 1.6180 1.6180 1.6180 1.6180 1.9811 1.9811 1.9811 1.9811 2.5117 2.5117 2.5117 2.5117 2.9706 2.9706 2.9706 2.9706 3.2755 3.2755 3.2755 3.2755 3.7274 3.7274 3.7274 3.7274 9.1160 9.1160 9.1160 9.1160 9.3686 9.3686 9.3686 9.3686 k = 0.5000 0.5000 0.2120 ( 4464 PWs) bands (ev): -6.9463 -6.9463 -6.9463 -6.9463 0.7628 0.7628 0.7628 0.7628 1.4220 1.4220 1.4220 1.4220 1.6214 1.6214 1.6214 1.6214 1.9805 1.9805 1.9805 1.9805 2.5114 2.5114 2.5114 2.5114 2.9388 2.9388 2.9388 2.9388 3.2524 3.2524 3.2524 3.2524 3.7236 3.7236 3.7236 3.7236 9.1873 9.1873 9.1873 9.1873 9.4673 9.4673 9.4673 9.4673 k = 0.5000 0.5000 0.2262 ( 4472 PWs) bands (ev): -6.9462 -6.9462 -6.9462 -6.9462 0.7830 0.7830 0.7830 0.7830 1.4188 1.4188 1.4188 1.4188 1.6256 1.6256 1.6256 1.6256 1.9798 1.9798 1.9798 1.9798 2.5110 2.5110 2.5110 2.5110 2.9080 2.9080 2.9080 2.9080 3.2291 3.2291 3.2291 3.2291 3.7204 3.7204 3.7204 3.7204 9.2587 9.2587 9.2587 9.2587 9.5690 9.5690 9.5690 9.5690 k = 0.5000 0.5000 0.2403 ( 4480 PWs) bands (ev): -6.9461 -6.9461 -6.9461 -6.9461 0.8034 0.8034 0.8034 0.8034 1.4144 1.4144 1.4144 1.4144 1.6304 1.6304 1.6304 1.6304 1.9790 1.9790 1.9790 1.9790 2.5105 2.5105 2.5105 2.5105 2.8787 2.8787 2.8787 2.8787 3.2061 3.2061 3.2061 3.2061 3.7177 3.7177 3.7177 3.7177 9.3293 9.3293 9.3293 9.3293 9.6728 9.6728 9.6728 9.6728 k = 0.5000 0.5000 0.2544 ( 4484 PWs) bands (ev): -6.9460 -6.9460 -6.9460 -6.9460 0.8239 0.8239 0.8239 0.8239 1.4089 1.4089 1.4089 1.4089 1.6357 1.6357 1.6357 1.6357 1.9781 1.9781 1.9781 1.9781 2.5100 2.5100 2.5100 2.5100 2.8511 2.8511 2.8511 2.8511 3.1837 3.1837 3.1837 3.1837 3.7154 3.7154 3.7154 3.7154 9.3980 9.3980 9.3980 9.3980 9.7776 9.7776 9.7776 9.7776 k = 0.5000 0.5000 0.2686 ( 4476 PWs) bands (ev): -6.9460 -6.9460 -6.9460 -6.9460 0.8441 0.8441 0.8441 0.8441 1.4025 1.4025 1.4025 1.4025 1.6414 1.6414 1.6414 1.6414 1.9770 1.9770 1.9770 1.9770 2.5094 2.5094 2.5094 2.5094 2.8258 2.8258 2.8258 2.8258 3.1625 3.1625 3.1625 3.1625 3.7136 3.7136 3.7136 3.7136 9.4640 9.4640 9.4640 9.4640 9.8823 9.8823 9.8823 9.8823 k = 0.5000 0.5000 0.2827 ( 4476 PWs) bands (ev): -6.9459 -6.9459 -6.9459 -6.9459 0.8636 0.8636 0.8636 0.8636 1.3954 1.3954 1.3954 1.3954 1.6471 1.6471 1.6471 1.6471 1.9760 1.9760 1.9760 1.9760 2.5088 2.5088 2.5088 2.5088 2.8028 2.8028 2.8028 2.8028 3.1427 3.1427 3.1427 3.1427 3.7120 3.7120 3.7120 3.7120 9.5260 9.5260 9.5260 9.5260 9.9853 9.9853 9.9853 9.9853 k = 0.5000 0.5000 0.2969 ( 4480 PWs) bands (ev): -6.9458 -6.9458 -6.9458 -6.9458 0.8821 0.8821 0.8821 0.8821 1.3879 1.3879 1.3879 1.3879 1.6527 1.6527 1.6527 1.6527 1.9748 1.9748 1.9748 1.9748 2.5080 2.5080 2.5080 2.5080 2.7825 2.7825 2.7825 2.7825 3.1248 3.1248 3.1248 3.1248 3.7108 3.7108 3.7108 3.7108 9.5830 9.5830 9.5830 9.5830 10.0847 10.0847 10.0847 10.0847 k = 0.5000 0.5000 0.3110 ( 4480 PWs) bands (ev): -6.9457 -6.9457 -6.9457 -6.9457 0.8990 0.8990 0.8990 0.8990 1.3803 1.3803 1.3803 1.3803 1.6580 1.6580 1.6580 1.6580 1.9737 1.9737 1.9737 1.9737 2.5072 2.5072 2.5072 2.5072 2.7651 2.7651 2.7651 2.7651 3.1091 3.1091 3.1091 3.1091 3.7098 3.7098 3.7098 3.7098 9.6338 9.6338 9.6338 9.6338 10.1780 10.1780 10.1780 10.1780 k = 0.5000 0.5000 0.3251 ( 4480 PWs) bands (ev): -6.9457 -6.9457 -6.9457 -6.9457 0.9139 0.9139 0.9139 0.9139 1.3732 1.3732 1.3732 1.3732 1.6627 1.6627 1.6627 1.6627 1.9727 1.9727 1.9727 1.9727 2.5065 2.5065 2.5065 2.5065 2.7507 2.7507 2.7507 2.7507 3.0958 3.0958 3.0958 3.0958 3.7090 3.7090 3.7090 3.7090 9.6772 9.6772 9.6772 9.6772 10.2623 10.2623 10.2623 10.2623 k = 0.5000 0.5000 0.3393 ( 4488 PWs) bands (ev): -6.9457 -6.9457 -6.9457 -6.9457 0.9263 0.9263 0.9263 0.9263 1.3669 1.3669 1.3669 1.3669 1.6666 1.6666 1.6666 1.6666 1.9718 1.9718 1.9718 1.9718 2.5058 2.5058 2.5058 2.5058 2.7394 2.7394 2.7394 2.7394 3.0852 3.0852 3.0852 3.0852 3.7084 3.7084 3.7084 3.7084 9.7122 9.7122 9.7122 9.7122 10.3340 10.3340 10.3340 10.3340 k = 0.5000 0.5000 0.3534 ( 4496 PWs) bands (ev): -6.9456 -6.9456 -6.9456 -6.9456 0.9356 0.9356 0.9356 0.9356 1.3620 1.3620 1.3620 1.3620 1.6695 1.6695 1.6695 1.6695 1.9711 1.9711 1.9711 1.9711 2.5052 2.5052 2.5052 2.5052 2.7314 2.7314 2.7314 2.7314 3.0775 3.0775 3.0775 3.0775 3.7080 3.7080 3.7080 3.7080 9.7380 9.7380 9.7380 9.7380 10.3893 10.3893 10.3893 10.3893 k = 0.5000 0.5000 0.3675 ( 4512 PWs) bands (ev): -6.9456 -6.9456 -6.9456 -6.9456 0.9414 0.9414 0.9414 0.9414 1.3589 1.3589 1.3589 1.3589 1.6713 1.6713 1.6713 1.6713 1.9706 1.9706 1.9706 1.9706 2.5048 2.5048 2.5048 2.5048 2.7265 2.7265 2.7265 2.7265 3.0728 3.0728 3.0728 3.0728 3.7078 3.7078 3.7078 3.7078 9.7538 9.7538 9.7538 9.7538 10.4244 10.4244 10.4244 10.4244 k = 0.5000 0.5000 0.3817 ( 4520 PWs) bands (ev): -6.9456 -6.9456 -6.9456 -6.9456 0.9433 0.9433 0.9433 0.9433 1.3578 1.3578 1.3578 1.3578 1.6719 1.6719 1.6719 1.6719 1.9705 1.9705 1.9705 1.9705 2.5046 2.5046 2.5046 2.5046 2.7249 2.7249 2.7249 2.7249 3.0712 3.0712 3.0712 3.0712 3.7077 3.7077 3.7077 3.7077 9.7591 9.7591 9.7591 9.7591 10.4364 10.4364 10.4364 10.4364 Writing output data file AgI.save init_run : 2.77s CPU 13.32s WALL ( 1 calls) electrons : 414.76s CPU 419.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.24s WALL ( 1 calls) Called by electrons: c_bands : 414.74s CPU 419.40s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.84s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.09s CPU 0.53s WALL ( 1 calls) newd : 0.46s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 328 calls) cegterg : 383.42s CPU 385.68s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 208.45s CPU 213.79s WALL ( 9202 calls) s_psi : 23.11s CPU 23.48s WALL ( 9202 calls) g_psi : 0.50s CPU 0.52s WALL ( 8306 calls) cdiaghg : 107.15s CPU 105.54s WALL ( 8634 calls) cegterg:over : 32.06s CPU 29.46s WALL ( 8306 calls) cegterg:upda : 6.47s CPU 9.02s WALL ( 8306 calls) cegterg:last : 6.05s CPU 6.67s WALL ( 1552 calls) Called by h_psi: h_psi:vloc : 165.64s CPU 169.65s WALL ( 9202 calls) h_psi:vnl : 42.63s CPU 43.65s WALL ( 9202 calls) add_vuspsi : 15.45s CPU 18.43s WALL ( 9202 calls) General routines calbec : 27.14s CPU 25.09s WALL ( 9202 calls) fft : 0.10s CPU 1.04s WALL ( 15 calls) fftw : 157.73s CPU 161.75s WALL ( 856084 calls) davcio : 0.03s CPU 0.89s WALL ( 656 calls) Parallel routines fft_scatter : 95.30s CPU 96.99s WALL ( 856099 calls) PWSCF : 7m43.56s CPU 8m55.01s WALL This run was terminated on: 1:33:17 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=