Program PWSCF v.5.1.1 starts on 23Jul2015 at 18:41: 9 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: ./GeS.save/ 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 16 14 4 940 770 124 Max 17 15 5 955 793 137 Sum 807 711 211 45547 37577 6221 bravais-lattice index = 14 lattice parameter (alat) = 6.8597 a.u. unit-cell volume = 1097.7251 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.859705 celldm(2)= 1.179063 celldm(3)= 2.884298 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 1.179063 0.000000 ) a(3) = ( 0.000000 0.000000 2.884298 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.848131 -0.000000 ) b(3) = ( 0.000000 0.000000 0.346705 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ge 4.00 72.64000 Ge( 1.00) S 6.00 32.06500 S( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5895317 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4421488 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5895317 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4421488 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5895317 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4421488 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5895317 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4421488 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0114612 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0229225 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0343837 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0458449 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0573061 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.0687674 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.0802286 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.0916898 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1031510 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1146123 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1260735 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1375347 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1489960 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.1604572 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.1719184 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.1833796 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.1948409 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2063021 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2177633 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2292246 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2406858 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2521470 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.2636082 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.2750695 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.2865307 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.2979919 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3094531 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3209144 -0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.3323756 -0.0000000), wk = 0.0025000 k( 76) = ( 0.5000000 0.3438368 -0.0000000), wk = 0.0025000 k( 77) = ( 0.5000000 0.3552981 -0.0000000), wk = 0.0025000 k( 78) = ( 0.5000000 0.3667593 -0.0000000), wk = 0.0025000 k( 79) = ( 0.5000000 0.3782205 -0.0000000), wk = 0.0025000 k( 80) = ( 0.5000000 0.3896817 -0.0000000), wk = 0.0025000 k( 81) = ( 0.5000000 0.4011430 -0.0000000), wk = 0.0025000 k( 82) = ( 0.5000000 0.4126042 -0.0000000), wk = 0.0025000 k( 83) = ( 0.5000000 0.4240654 -0.0000000), wk = 0.0025000 k( 84) = ( 0.5000000 0.4240654 -0.0000000), wk = 0.0025000 k( 85) = ( 0.4886364 0.4240654 -0.0000000), wk = 0.0025000 k( 86) = ( 0.4772727 0.4240654 -0.0000000), wk = 0.0025000 k( 87) = ( 0.4659091 0.4240654 -0.0000000), wk = 0.0025000 k( 88) = ( 0.4545455 0.4240654 -0.0000000), wk = 0.0025000 k( 89) = ( 0.4431818 0.4240654 -0.0000000), wk = 0.0025000 k( 90) = ( 0.4318182 0.4240654 -0.0000000), wk = 0.0025000 k( 91) = ( 0.4204545 0.4240654 -0.0000000), wk = 0.0025000 k( 92) = ( 0.4090909 0.4240654 -0.0000000), wk = 0.0025000 k( 93) = ( 0.3977273 0.4240654 -0.0000000), wk = 0.0025000 k( 94) = ( 0.3863636 0.4240654 -0.0000000), wk = 0.0025000 k( 95) = ( 0.3750000 0.4240654 -0.0000000), wk = 0.0025000 k( 96) = ( 0.3636364 0.4240654 -0.0000000), wk = 0.0025000 k( 97) = ( 0.3522727 0.4240654 -0.0000000), wk = 0.0025000 k( 98) = ( 0.3409091 0.4240654 -0.0000000), wk = 0.0025000 k( 99) = ( 0.3295455 0.4240654 -0.0000000), wk = 0.0025000 k( 100) = ( 0.3181818 0.4240654 -0.0000000), wk = 0.0025000 k( 101) = ( 0.3068182 0.4240654 -0.0000000), wk = 0.0025000 k( 102) = ( 0.2954545 0.4240654 -0.0000000), wk = 0.0025000 k( 103) = ( 0.2840909 0.4240654 -0.0000000), wk = 0.0025000 k( 104) = ( 0.2727273 0.4240654 -0.0000000), wk = 0.0025000 k( 105) = ( 0.2613636 0.4240654 -0.0000000), wk = 0.0025000 k( 106) = ( 0.2500000 0.4240654 -0.0000000), wk = 0.0025000 k( 107) = ( 0.2386364 0.4240654 -0.0000000), wk = 0.0025000 k( 108) = ( 0.2272727 0.4240654 -0.0000000), wk = 0.0025000 k( 109) = ( 0.2159091 0.4240654 -0.0000000), wk = 0.0025000 k( 110) = ( 0.2045454 0.4240654 -0.0000000), wk = 0.0025000 k( 111) = ( 0.1931818 0.4240654 -0.0000000), wk = 0.0025000 k( 112) = ( 0.1818182 0.4240654 -0.0000000), wk = 0.0025000 k( 113) = ( 0.1704546 0.4240654 -0.0000000), wk = 0.0025000 k( 114) = ( 0.1590909 0.4240654 -0.0000000), wk = 0.0025000 k( 115) = ( 0.1477273 0.4240654 -0.0000000), wk = 0.0025000 k( 116) = ( 0.1363636 0.4240654 -0.0000000), wk = 0.0025000 k( 117) = ( 0.1250000 0.4240654 -0.0000000), wk = 0.0025000 k( 118) = ( 0.1136364 0.4240654 -0.0000000), wk = 0.0025000 k( 119) = ( 0.1022727 0.4240654 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0909091 0.4240654 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0795455 0.4240654 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0681818 0.4240654 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0568182 0.4240654 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0454546 0.4240654 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0340909 0.4240654 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0227273 0.4240654 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0113636 0.4240654 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.4240654 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.4240654 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.4126042 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.4011430 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.3896817 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.3782205 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.3667593 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.3552981 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.3438368 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.3323756 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.3209144 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.3094531 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.2979919 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.2865307 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.2750695 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.2636082 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.2521470 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.2406858 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.2292246 -0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.2177633 -0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.2063021 -0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.1948409 -0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.1833796 -0.0000000), wk = 0.0025000 k( 151) = ( 0.0000000 0.1719184 -0.0000000), wk = 0.0025000 k( 152) = ( 0.0000000 0.1604572 -0.0000000), wk = 0.0025000 k( 153) = ( 0.0000000 0.1489960 -0.0000000), wk = 0.0025000 k( 154) = ( 0.0000000 0.1375347 -0.0000000), wk = 0.0025000 k( 155) = ( 0.0000000 0.1260735 -0.0000000), wk = 0.0025000 k( 156) = ( 0.0000000 0.1146123 -0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.1031510 -0.0000000), wk = 0.0025000 k( 158) = ( 0.0000000 0.0916898 -0.0000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0802286 -0.0000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0687674 -0.0000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0573061 -0.0000000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0458449 -0.0000000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0343837 -0.0000000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0229225 -0.0000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0114612 -0.0000000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.0108345), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.0216691), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.0325036), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.0433381), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.0541726), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.0650072), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.0758417), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.0866762), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.0975107), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.1083453), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.1191798), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.1300143), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.1408489), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.1516834), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.1625179), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.1733524), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.1733524), wk = 0.0025000 k( 185) = ( 0.0113636 -0.0000000 0.1733524), wk = 0.0025000 k( 186) = ( 0.0227273 -0.0000000 0.1733524), wk = 0.0025000 k( 187) = ( 0.0340909 -0.0000000 0.1733524), wk = 0.0025000 k( 188) = ( 0.0454546 -0.0000000 0.1733524), wk = 0.0025000 k( 189) = ( 0.0568182 -0.0000000 0.1733524), wk = 0.0025000 k( 190) = ( 0.0681818 -0.0000000 0.1733524), wk = 0.0025000 k( 191) = ( 0.0795455 -0.0000000 0.1733524), wk = 0.0025000 k( 192) = ( 0.0909091 -0.0000000 0.1733524), wk = 0.0025000 k( 193) = ( 0.1022727 -0.0000000 0.1733524), wk = 0.0025000 k( 194) = ( 0.1136364 -0.0000000 0.1733524), wk = 0.0025000 k( 195) = ( 0.1250000 -0.0000000 0.1733524), wk = 0.0025000 k( 196) = ( 0.1363636 -0.0000000 0.1733524), wk = 0.0025000 k( 197) = ( 0.1477273 -0.0000000 0.1733524), wk = 0.0025000 k( 198) = ( 0.1590909 -0.0000000 0.1733524), wk = 0.0025000 k( 199) = ( 0.1704546 -0.0000000 0.1733524), wk = 0.0025000 k( 200) = ( 0.1818182 -0.0000000 0.1733524), wk = 0.0025000 k( 201) = ( 0.1931818 -0.0000000 0.1733524), wk = 0.0025000 k( 202) = ( 0.2045454 -0.0000000 0.1733524), wk = 0.0025000 k( 203) = ( 0.2159091 -0.0000000 0.1733524), wk = 0.0025000 k( 204) = ( 0.2272727 -0.0000000 0.1733524), wk = 0.0025000 k( 205) = ( 0.2386364 -0.0000000 0.1733524), wk = 0.0025000 k( 206) = ( 0.2500000 -0.0000000 0.1733524), wk = 0.0025000 k( 207) = ( 0.2613636 -0.0000000 0.1733524), wk = 0.0025000 k( 208) = ( 0.2727273 -0.0000000 0.1733524), wk = 0.0025000 k( 209) = ( 0.2840909 -0.0000000 0.1733524), wk = 0.0025000 k( 210) = ( 0.2954545 -0.0000000 0.1733524), wk = 0.0025000 k( 211) = ( 0.3068182 -0.0000000 0.1733524), wk = 0.0025000 k( 212) = ( 0.3181818 -0.0000000 0.1733524), wk = 0.0025000 k( 213) = ( 0.3295455 -0.0000000 0.1733524), wk = 0.0025000 k( 214) = ( 0.3409091 -0.0000000 0.1733524), wk = 0.0025000 k( 215) = ( 0.3522727 -0.0000000 0.1733524), wk = 0.0025000 k( 216) = ( 0.3636364 -0.0000000 0.1733524), wk = 0.0025000 k( 217) = ( 0.3750000 -0.0000000 0.1733524), wk = 0.0025000 k( 218) = ( 0.3863636 -0.0000000 0.1733524), wk = 0.0025000 k( 219) = ( 0.3977273 -0.0000000 0.1733524), wk = 0.0025000 k( 220) = ( 0.4090909 -0.0000000 0.1733524), wk = 0.0025000 k( 221) = ( 0.4204545 -0.0000000 0.1733524), wk = 0.0025000 k( 222) = ( 0.4318182 -0.0000000 0.1733524), wk = 0.0025000 k( 223) = ( 0.4431818 -0.0000000 0.1733524), wk = 0.0025000 k( 224) = ( 0.4545455 -0.0000000 0.1733524), wk = 0.0025000 k( 225) = ( 0.4659091 -0.0000000 0.1733524), wk = 0.0025000 k( 226) = ( 0.4772727 -0.0000000 0.1733524), wk = 0.0025000 k( 227) = ( 0.4886364 -0.0000000 0.1733524), wk = 0.0025000 k( 228) = ( 0.5000000 -0.0000000 0.1733524), wk = 0.0025000 k( 229) = ( 0.5000000 -0.0000000 0.1733524), wk = 0.0025000 k( 230) = ( 0.5000000 0.0114612 0.1733524), wk = 0.0025000 k( 231) = ( 0.5000000 0.0229225 0.1733524), wk = 0.0025000 k( 232) = ( 0.5000000 0.0343837 0.1733524), wk = 0.0025000 k( 233) = ( 0.5000000 0.0458449 0.1733524), wk = 0.0025000 k( 234) = ( 0.5000000 0.0573061 0.1733524), wk = 0.0025000 k( 235) = ( 0.5000000 0.0687674 0.1733524), wk = 0.0025000 k( 236) = ( 0.5000000 0.0802286 0.1733524), wk = 0.0025000 k( 237) = ( 0.5000000 0.0916898 0.1733524), wk = 0.0025000 k( 238) = ( 0.5000000 0.1031510 0.1733524), wk = 0.0025000 k( 239) = ( 0.5000000 0.1146123 0.1733524), wk = 0.0025000 k( 240) = ( 0.5000000 0.1260735 0.1733524), wk = 0.0025000 k( 241) = ( 0.5000000 0.1375347 0.1733524), wk = 0.0025000 k( 242) = ( 0.5000000 0.1489960 0.1733524), wk = 0.0025000 k( 243) = ( 0.5000000 0.1604572 0.1733524), wk = 0.0025000 k( 244) = ( 0.5000000 0.1719184 0.1733524), wk = 0.0025000 k( 245) = ( 0.5000000 0.1833796 0.1733524), wk = 0.0025000 k( 246) = ( 0.5000000 0.1948409 0.1733524), wk = 0.0025000 k( 247) = ( 0.5000000 0.2063021 0.1733524), wk = 0.0025000 k( 248) = ( 0.5000000 0.2177633 0.1733524), wk = 0.0025000 k( 249) = ( 0.5000000 0.2292246 0.1733524), wk = 0.0025000 k( 250) = ( 0.5000000 0.2406858 0.1733524), wk = 0.0025000 k( 251) = ( 0.5000000 0.2521470 0.1733524), wk = 0.0025000 k( 252) = ( 0.5000000 0.2636082 0.1733524), wk = 0.0025000 k( 253) = ( 0.5000000 0.2750695 0.1733524), wk = 0.0025000 k( 254) = ( 0.5000000 0.2865307 0.1733524), wk = 0.0025000 k( 255) = ( 0.5000000 0.2979919 0.1733524), wk = 0.0025000 k( 256) = ( 0.5000000 0.3094531 0.1733524), wk = 0.0025000 k( 257) = ( 0.5000000 0.3209144 0.1733524), wk = 0.0025000 k( 258) = ( 0.5000000 0.3323756 0.1733524), wk = 0.0025000 k( 259) = ( 0.5000000 0.3438368 0.1733524), wk = 0.0025000 k( 260) = ( 0.5000000 0.3552981 0.1733524), wk = 0.0025000 k( 261) = ( 0.5000000 0.3667593 0.1733524), wk = 0.0025000 k( 262) = ( 0.5000000 0.3782205 0.1733524), wk = 0.0025000 k( 263) = ( 0.5000000 0.3896817 0.1733524), wk = 0.0025000 k( 264) = ( 0.5000000 0.4011430 0.1733524), wk = 0.0025000 k( 265) = ( 0.5000000 0.4126042 0.1733524), wk = 0.0025000 k( 266) = ( 0.5000000 0.4240654 0.1733524), wk = 0.0025000 k( 267) = ( 0.5000000 0.4240654 0.1733524), wk = 0.0025000 k( 268) = ( 0.4886364 0.4240654 0.1733524), wk = 0.0025000 k( 269) = ( 0.4772727 0.4240654 0.1733524), wk = 0.0025000 k( 270) = ( 0.4659091 0.4240654 0.1733524), wk = 0.0025000 k( 271) = ( 0.4545455 0.4240654 0.1733524), wk = 0.0025000 k( 272) = ( 0.4431818 0.4240654 0.1733524), wk = 0.0025000 k( 273) = ( 0.4318182 0.4240654 0.1733524), wk = 0.0025000 k( 274) = ( 0.4204545 0.4240654 0.1733524), wk = 0.0025000 k( 275) = ( 0.4090909 0.4240654 0.1733524), wk = 0.0025000 k( 276) = ( 0.3977273 0.4240654 0.1733524), wk = 0.0025000 k( 277) = ( 0.3863636 0.4240654 0.1733524), wk = 0.0025000 k( 278) = ( 0.3750000 0.4240654 0.1733524), wk = 0.0025000 k( 279) = ( 0.3636364 0.4240654 0.1733524), wk = 0.0025000 k( 280) = ( 0.3522727 0.4240654 0.1733524), wk = 0.0025000 k( 281) = ( 0.3409091 0.4240654 0.1733524), wk = 0.0025000 k( 282) = ( 0.3295455 0.4240654 0.1733524), wk = 0.0025000 k( 283) = ( 0.3181818 0.4240654 0.1733524), wk = 0.0025000 k( 284) = ( 0.3068182 0.4240654 0.1733524), wk = 0.0025000 k( 285) = ( 0.2954545 0.4240654 0.1733524), wk = 0.0025000 k( 286) = ( 0.2840909 0.4240654 0.1733524), wk = 0.0025000 k( 287) = ( 0.2727273 0.4240654 0.1733524), wk = 0.0025000 k( 288) = ( 0.2613636 0.4240654 0.1733524), wk = 0.0025000 k( 289) = ( 0.2500000 0.4240654 0.1733524), wk = 0.0025000 k( 290) = ( 0.2386364 0.4240654 0.1733524), wk = 0.0025000 k( 291) = ( 0.2272727 0.4240654 0.1733524), wk = 0.0025000 k( 292) = ( 0.2159091 0.4240654 0.1733524), wk = 0.0025000 k( 293) = ( 0.2045454 0.4240654 0.1733524), wk = 0.0025000 k( 294) = ( 0.1931818 0.4240654 0.1733524), wk = 0.0025000 k( 295) = ( 0.1818182 0.4240654 0.1733524), wk = 0.0025000 k( 296) = ( 0.1704546 0.4240654 0.1733524), wk = 0.0025000 k( 297) = ( 0.1590909 0.4240654 0.1733524), wk = 0.0025000 k( 298) = ( 0.1477273 0.4240654 0.1733524), wk = 0.0025000 k( 299) = ( 0.1363636 0.4240654 0.1733524), wk = 0.0025000 k( 300) = ( 0.1250000 0.4240654 0.1733524), wk = 0.0025000 k( 301) = ( 0.1136364 0.4240654 0.1733524), wk = 0.0025000 k( 302) = ( 0.1022727 0.4240654 0.1733524), wk = 0.0025000 k( 303) = ( 0.0909091 0.4240654 0.1733524), wk = 0.0025000 k( 304) = ( 0.0795455 0.4240654 0.1733524), wk = 0.0025000 k( 305) = ( 0.0681818 0.4240654 0.1733524), wk = 0.0025000 k( 306) = ( 0.0568182 0.4240654 0.1733524), wk = 0.0025000 k( 307) = ( 0.0454546 0.4240654 0.1733524), wk = 0.0025000 k( 308) = ( 0.0340909 0.4240654 0.1733524), wk = 0.0025000 k( 309) = ( 0.0227273 0.4240654 0.1733524), wk = 0.0025000 k( 310) = ( 0.0113636 0.4240654 0.1733524), wk = 0.0025000 k( 311) = ( 0.0000000 0.4240654 0.1733524), wk = 0.0025000 k( 312) = ( 0.0000000 0.4240654 0.1733524), wk = 0.0025000 k( 313) = ( 0.0000000 0.4126042 0.1733524), wk = 0.0025000 k( 314) = ( 0.0000000 0.4011430 0.1733524), wk = 0.0025000 k( 315) = ( 0.0000000 0.3896817 0.1733524), wk = 0.0025000 k( 316) = ( 0.0000000 0.3782205 0.1733524), wk = 0.0025000 k( 317) = ( 0.0000000 0.3667593 0.1733524), wk = 0.0025000 k( 318) = ( 0.0000000 0.3552981 0.1733524), wk = 0.0025000 k( 319) = ( 0.0000000 0.3438368 0.1733524), wk = 0.0025000 k( 320) = ( 0.0000000 0.3323756 0.1733524), wk = 0.0025000 k( 321) = ( 0.0000000 0.3209144 0.1733524), wk = 0.0025000 k( 322) = ( 0.0000000 0.3094531 0.1733524), wk = 0.0025000 k( 323) = ( 0.0000000 0.2979919 0.1733524), wk = 0.0025000 k( 324) = ( 0.0000000 0.2865307 0.1733524), wk = 0.0025000 k( 325) = ( 0.0000000 0.2750695 0.1733524), wk = 0.0025000 k( 326) = ( 0.0000000 0.2636082 0.1733524), wk = 0.0025000 k( 327) = ( 0.0000000 0.2521470 0.1733524), wk = 0.0025000 k( 328) = ( 0.0000000 0.2406858 0.1733524), wk = 0.0025000 k( 329) = ( 0.0000000 0.2292246 0.1733524), wk = 0.0025000 k( 330) = ( 0.0000000 0.2177633 0.1733524), wk = 0.0025000 k( 331) = ( 0.0000000 0.2063021 0.1733524), wk = 0.0025000 k( 332) = ( 0.0000000 0.1948409 0.1733524), wk = 0.0025000 k( 333) = ( 0.0000000 0.1833796 0.1733524), wk = 0.0025000 k( 334) = ( 0.0000000 0.1719184 0.1733524), wk = 0.0025000 k( 335) = ( 0.0000000 0.1604572 0.1733524), wk = 0.0025000 k( 336) = ( 0.0000000 0.1489960 0.1733524), wk = 0.0025000 k( 337) = ( 0.0000000 0.1375347 0.1733524), wk = 0.0025000 k( 338) = ( 0.0000000 0.1260735 0.1733524), wk = 0.0025000 k( 339) = ( 0.0000000 0.1146123 0.1733524), wk = 0.0025000 k( 340) = ( 0.0000000 0.1031510 0.1733524), wk = 0.0025000 k( 341) = ( 0.0000000 0.0916898 0.1733524), wk = 0.0025000 k( 342) = ( 0.0000000 0.0802286 0.1733524), wk = 0.0025000 k( 343) = ( 0.0000000 0.0687674 0.1733524), wk = 0.0025000 k( 344) = ( 0.0000000 0.0573061 0.1733524), wk = 0.0025000 k( 345) = ( 0.0000000 0.0458449 0.1733524), wk = 0.0025000 k( 346) = ( 0.0000000 0.0343837 0.1733524), wk = 0.0025000 k( 347) = ( 0.0000000 0.0229225 0.1733524), wk = 0.0025000 k( 348) = ( 0.0000000 0.0114612 0.1733524), wk = 0.0025000 k( 349) = ( 0.0000000 0.0000000 0.1733524), wk = 0.0025000 k( 350) = ( 0.0000000 0.4240654 -0.0000000), wk = 0.0025000 k( 351) = ( 0.0000000 0.4240654 0.0108345), wk = 0.0025000 k( 352) = ( 0.0000000 0.4240654 0.0216691), wk = 0.0025000 k( 353) = ( 0.0000000 0.4240654 0.0325036), wk = 0.0025000 k( 354) = ( 0.0000000 0.4240654 0.0433381), wk = 0.0025000 k( 355) = ( 0.0000000 0.4240654 0.0541726), wk = 0.0025000 k( 356) = ( 0.0000000 0.4240654 0.0650072), wk = 0.0025000 k( 357) = ( 0.0000000 0.4240654 0.0758417), wk = 0.0025000 k( 358) = ( 0.0000000 0.4240654 0.0866762), wk = 0.0025000 k( 359) = ( 0.0000000 0.4240654 0.0975107), wk = 0.0025000 k( 360) = ( 0.0000000 0.4240654 0.1083453), wk = 0.0025000 k( 361) = ( 0.0000000 0.4240654 0.1191798), wk = 0.0025000 k( 362) = ( 0.0000000 0.4240654 0.1300143), wk = 0.0025000 k( 363) = ( 0.0000000 0.4240654 0.1408489), wk = 0.0025000 k( 364) = ( 0.0000000 0.4240654 0.1516834), wk = 0.0025000 k( 365) = ( 0.0000000 0.4240654 0.1625179), wk = 0.0025000 k( 366) = ( 0.0000000 0.4240654 0.1733524), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.1733524), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.1625179), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.1516834), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.1408489), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.1300143), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.1191798), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 0.1083453), wk = 0.0025000 k( 374) = ( 0.5000000 -0.0000000 0.0975107), wk = 0.0025000 k( 375) = ( 0.5000000 -0.0000000 0.0866762), wk = 0.0025000 k( 376) = ( 0.5000000 -0.0000000 0.0758417), wk = 0.0025000 k( 377) = ( 0.5000000 -0.0000000 0.0650072), wk = 0.0025000 k( 378) = ( 0.5000000 -0.0000000 0.0541726), wk = 0.0025000 k( 379) = ( 0.5000000 -0.0000000 0.0433381), wk = 0.0025000 k( 380) = ( 0.5000000 -0.0000000 0.0325036), wk = 0.0025000 k( 381) = ( 0.5000000 -0.0000000 0.0216691), wk = 0.0025000 k( 382) = ( 0.5000000 -0.0000000 0.0108345), wk = 0.0025000 k( 383) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 384) = ( 0.5000000 0.4240654 -0.0000000), wk = 0.0025000 k( 385) = ( 0.5000000 0.4240654 0.0108345), wk = 0.0025000 k( 386) = ( 0.5000000 0.4240654 0.0216691), wk = 0.0025000 k( 387) = ( 0.5000000 0.4240654 0.0325036), wk = 0.0025000 k( 388) = ( 0.5000000 0.4240654 0.0433381), wk = 0.0025000 k( 389) = ( 0.5000000 0.4240654 0.0541726), wk = 0.0025000 k( 390) = ( 0.5000000 0.4240654 0.0650072), wk = 0.0025000 k( 391) = ( 0.5000000 0.4240654 0.0758417), wk = 0.0025000 k( 392) = ( 0.5000000 0.4240654 0.0866762), wk = 0.0025000 k( 393) = ( 0.5000000 0.4240654 0.0975107), wk = 0.0025000 k( 394) = ( 0.5000000 0.4240654 0.1083453), wk = 0.0025000 k( 395) = ( 0.5000000 0.4240654 0.1191798), wk = 0.0025000 k( 396) = ( 0.5000000 0.4240654 0.1300143), wk = 0.0025000 k( 397) = ( 0.5000000 0.4240654 0.1408489), wk = 0.0025000 k( 398) = ( 0.5000000 0.4240654 0.1516834), wk = 0.0025000 k( 399) = ( 0.5000000 0.4240654 0.1625179), wk = 0.0025000 k( 400) = ( 0.5000000 0.4240654 0.1733524), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0025000 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0025000 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0025000 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0025000 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0025000 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0025000 k( 10) = ( 0.1022727 -0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0025000 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0025000 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0025000 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0025000 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0025000 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0025000 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0025000 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0025000 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0025000 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0025000 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0405405 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0540540 0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.0810811 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1351351 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1486486 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1621622 0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1756757 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2027027 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2162162 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2297297 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2432432 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2972973 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3108108 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3243243 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3513514 0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3783784 -0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0025000 k( 76) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0025000 k( 77) = ( 0.5000000 0.4189189 -0.0000000), wk = 0.0025000 k( 78) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0025000 k( 79) = ( 0.5000000 0.4459460 0.0000000), wk = 0.0025000 k( 80) = ( 0.5000000 0.4594595 -0.0000000), wk = 0.0025000 k( 81) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0025000 k( 82) = ( 0.5000000 0.4864865 -0.0000000), wk = 0.0025000 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 85) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0025000 k( 86) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0025000 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0025000 k( 88) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0025000 k( 89) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0025000 k( 90) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025000 k( 93) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0025000 k( 97) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0025000 k( 100) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025000 k( 101) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0025000 k( 105) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0025000 k( 106) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0025000 k( 109) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0025000 k( 110) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0025000 k( 111) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0025000 k( 115) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0025000 k( 116) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0025000 k( 117) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0025000 k( 118) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0025000 k( 119) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0025000 k( 120) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0025000 k( 121) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0025000 k( 122) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0025000 k( 123) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0025000 k( 124) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0025000 k( 125) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0025000 k( 126) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0025000 k( 127) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.4459460 0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0025000 k( 151) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0025000 k( 152) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0025000 k( 153) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0025000 k( 154) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0025000 k( 155) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0025000 k( 156) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0025000 k( 158) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0025000 k( 218) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0025000 k( 219) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0025000 k( 220) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0025000 k( 221) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0025000 k( 222) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0025000 k( 223) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0025000 k( 224) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0025000 k( 225) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0025000 k( 226) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0025000 k( 227) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.0540540 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0025000 k( 248) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0025000 k( 249) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0025000 k( 250) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0025000 k( 251) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0025000 k( 252) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0025000 k( 253) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0025000 k( 254) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0025000 k( 255) = ( 0.5000000 0.3513514 0.5000000), wk = 0.0025000 k( 256) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0025000 k( 257) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0025000 k( 258) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0025000 k( 259) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0025000 k( 260) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0025000 k( 261) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0025000 k( 262) = ( 0.5000000 0.4459460 0.5000000), wk = 0.0025000 k( 263) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0025000 k( 264) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0025000 k( 265) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0025000 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0025000 k( 291) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025000 k( 292) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0025000 k( 293) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0025000 k( 294) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0025000 k( 295) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025000 k( 296) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0025000 k( 297) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0025000 k( 298) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0025000 k( 299) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025000 k( 300) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025000 k( 301) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0025000 k( 302) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0025000 k( 303) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025000 k( 304) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0025000 k( 305) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0025000 k( 306) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0025000 k( 307) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025000 k( 308) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0025000 k( 309) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0025000 k( 310) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.4459460 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0025000 k( 322) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0025000 k( 323) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0025000 k( 324) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0025000 k( 325) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0025000 k( 326) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0025000 k( 327) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0025000 k( 328) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0025000 k( 329) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0025000 k( 330) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0025000 k( 331) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0025000 k( 332) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0025000 k( 333) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0025000 k( 334) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0025000 k( 335) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0025000 k( 336) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0025000 k( 337) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0025000 k( 338) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0025000 k( 339) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0025000 k( 340) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0025000 k( 341) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0025000 k( 342) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0025000 k( 343) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0025000 k( 344) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0025000 k( 345) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0025000 k( 346) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0025000 k( 347) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0025000 k( 348) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0025000 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 350) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 351) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0025000 k( 352) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025000 k( 353) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0025000 k( 354) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025000 k( 355) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0025000 k( 356) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025000 k( 357) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0025000 k( 358) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 359) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0025000 k( 360) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025000 k( 361) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0025000 k( 362) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025000 k( 363) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0025000 k( 364) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025000 k( 365) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0025000 k( 366) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0025000 k( 374) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0025000 k( 375) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025000 k( 376) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0025000 k( 377) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0025000 k( 378) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0025000 k( 379) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0025000 k( 380) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0025000 k( 381) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0025000 k( 382) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0025000 k( 383) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 45547 G-vectors FFT dimensions: ( 30, 36, 90) Smooth grid: 37577 G-vectors FFT dimensions: ( 27, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 48) NL pseudopotentials 0.32 Mb ( 108, 192) Each V/rho on FFT grid 0.03 Mb ( 2160) Each G-vector array 0.01 Mb ( 953) G-vector shells 0.00 Mb ( 465) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 216, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.28 Mb ( 192, 2, 48) The potential is recalculated from file : ./GeS.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.9 secs Computing kpt #: 5 total cpu time spent up to now is 49.7 secs Computing kpt #: 6 total cpu time spent up to now is 51.6 secs Computing kpt #: 7 total cpu time spent up to now is 53.5 secs Computing kpt #: 8 total cpu time spent up to now is 55.7 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 59.9 secs Computing kpt #: 11 total cpu time spent up to now is 61.6 secs Computing kpt #: 12 total cpu time spent up to now is 63.2 secs Computing kpt #: 13 total cpu time spent up to now is 64.7 secs Computing kpt #: 14 total cpu time spent up to now is 66.2 secs Computing kpt #: 15 total cpu time spent up to now is 67.7 secs Computing kpt #: 16 total cpu time spent up to now is 69.1 secs Computing kpt #: 17 total cpu time spent up to now is 70.6 secs Computing kpt #: 18 total cpu time spent up to now is 72.2 secs Computing kpt #: 19 total cpu time spent up to now is 73.7 secs Computing kpt #: 20 total cpu time spent up to now is 75.1 secs Computing kpt #: 21 total cpu time spent up to now is 76.4 secs Computing kpt #: 22 total cpu time spent up to now is 77.9 secs Computing kpt #: 23 total cpu time spent up to now is 79.4 secs Computing kpt #: 24 total cpu time spent up to now is 81.0 secs Computing kpt #: 25 total cpu time spent up to now is 82.5 secs Computing kpt #: 26 total cpu time spent up to now is 84.3 secs Computing kpt #: 27 total cpu time spent up to now is 85.7 secs Computing kpt #: 28 total cpu time spent up to now is 87.1 secs Computing kpt #: 29 total cpu time spent up to now is 88.5 secs Computing kpt #: 30 total cpu time spent up to now is 89.8 secs Computing kpt #: 31 total cpu time spent up to now is 91.2 secs Computing kpt #: 32 total cpu time spent up to now is 92.5 secs Computing kpt #: 33 total cpu time spent up to now is 93.9 secs Computing kpt #: 34 total cpu time spent up to now is 95.2 secs Computing kpt #: 35 total cpu time spent up to now is 96.6 secs Computing kpt #: 36 total cpu time spent up to now is 97.9 secs Computing kpt #: 37 total cpu time spent up to now is 99.3 secs Computing kpt #: 38 total cpu time spent up to now is 100.7 secs Computing kpt #: 39 total cpu time spent up to now is 102.2 secs Computing kpt #: 40 total cpu time spent up to now is 103.6 secs Computing kpt #: 41 total cpu time spent up to now is 105.0 secs Computing kpt #: 42 total cpu time spent up to now is 106.4 secs Computing kpt #: 43 total cpu time spent up to now is 107.7 secs Computing kpt #: 44 total cpu time spent up to now is 109.2 secs Computing kpt #: 45 total cpu time spent up to now is 110.7 secs Computing kpt #: 46 total cpu 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133.4 secs Computing kpt #: 62 total cpu time spent up to now is 134.9 secs Computing kpt #: 63 total cpu time spent up to now is 136.5 secs Computing kpt #: 64 total cpu time spent up to now is 138.0 secs Computing kpt #: 65 total cpu time spent up to now is 139.6 secs Computing kpt #: 66 total cpu time spent up to now is 141.1 secs Computing kpt #: 67 total cpu time spent up to now is 142.7 secs Computing kpt #: 68 total cpu time spent up to now is 144.2 secs Computing kpt #: 69 total cpu time spent up to now is 145.7 secs Computing kpt #: 70 total cpu time spent up to now is 147.3 secs Computing kpt #: 71 total cpu time spent up to now is 148.8 secs Computing kpt #: 72 total cpu time spent up to now is 150.3 secs Computing kpt #: 73 total cpu time spent up to now is 151.8 secs Computing kpt #: 74 total cpu time spent up to now is 153.2 secs Computing kpt #: 75 total cpu time spent up to now is 154.8 secs Computing kpt #: 76 total cpu time spent up to now is 156.3 secs Computing kpt 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spent up to now is 179.2 secs Computing kpt #: 93 total cpu time spent up to now is 180.7 secs Computing kpt #: 94 total cpu time spent up to now is 182.2 secs Computing kpt #: 95 total cpu time spent up to now is 183.6 secs Computing kpt #: 96 total cpu time spent up to now is 185.1 secs Computing kpt #: 97 total cpu time spent up to now is 186.6 secs Computing kpt #: 98 total cpu time spent up to now is 188.1 secs Computing kpt #: 99 total cpu time spent up to now is 189.6 secs Computing kpt #: 100 total cpu time spent up to now is 191.0 secs Computing kpt #: 101 total cpu time spent up to now is 192.5 secs Computing kpt #: 102 total cpu time spent up to now is 193.9 secs Computing kpt #: 103 total cpu time spent up to now is 195.3 secs Computing kpt #: 104 total cpu time spent up to now is 196.7 secs Computing kpt #: 105 total cpu time spent up to now is 198.1 secs Computing kpt #: 106 total cpu time spent up to now is 199.5 secs Computing kpt #: 107 total cpu time spent up to now is 200.9 secs Computing kpt #: 108 total cpu time spent up to now is 202.4 secs Computing kpt #: 109 total cpu time spent up to now is 203.8 secs Computing kpt #: 110 total cpu time spent up to now is 205.4 secs Computing kpt #: 111 total cpu time spent up to now is 206.9 secs Computing kpt #: 112 total cpu time spent up to now is 208.4 secs Computing kpt #: 113 total cpu time spent up to now is 209.8 secs Computing kpt #: 114 total cpu time spent up to now is 211.3 secs Computing kpt #: 115 total cpu time spent up to now is 212.7 secs Computing kpt #: 116 total cpu time spent up to now is 214.0 secs Computing kpt #: 117 total cpu time spent up to now is 215.4 secs Computing kpt #: 118 total cpu time spent up to now is 216.7 secs Computing kpt #: 119 total cpu time spent up to now is 218.0 secs Computing kpt #: 120 total cpu time spent up to now is 219.4 secs Computing kpt #: 121 total cpu time spent up to now is 220.7 secs Computing kpt #: 122 total cpu time spent up to now is 222.0 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Computing kpt #: 138 total cpu time spent up to now is 247.2 secs Computing kpt #: 139 total cpu time spent up to now is 248.7 secs Computing kpt #: 140 total cpu time spent up to now is 250.3 secs Computing kpt #: 141 total cpu time spent up to now is 251.9 secs Computing kpt #: 142 total cpu time spent up to now is 253.6 secs Computing kpt #: 143 total cpu time spent up to now is 255.3 secs Computing kpt #: 144 total cpu time spent up to now is 257.2 secs Computing kpt #: 145 total cpu time spent up to now is 259.1 secs Computing kpt #: 146 total cpu time spent up to now is 260.8 secs Computing kpt #: 147 total cpu time spent up to now is 262.5 secs Computing kpt #: 148 total cpu time spent up to now is 264.2 secs Computing kpt #: 149 total cpu time spent up to now is 265.9 secs Computing kpt #: 150 total cpu time spent up to now is 267.7 secs Computing kpt #: 151 total cpu time spent up to now is 269.5 secs Computing kpt #: 152 total cpu time spent up to now is 271.4 secs Computing kpt #: 153 total cpu time spent up to now is 273.3 secs Computing kpt #: 154 total cpu time spent up to now is 275.2 secs Computing kpt #: 155 total cpu time spent up to now is 277.1 secs Computing kpt #: 156 total cpu time spent up to now is 279.2 secs Computing kpt #: 157 total cpu time spent up to now is 281.1 secs Computing kpt #: 158 total cpu time spent up to now is 282.9 secs Computing kpt #: 159 total cpu time spent up to now is 284.7 secs Computing kpt #: 160 total cpu time spent up to now is 286.4 secs Computing kpt #: 161 total cpu time spent up to now is 288.1 secs Computing kpt #: 162 total cpu time spent up to now is 289.8 secs Computing kpt #: 163 total cpu time spent up to now is 291.5 secs Computing kpt #: 164 total cpu time spent up to now is 293.2 secs Computing kpt #: 165 total cpu time spent up to now is 294.9 secs Computing kpt #: 166 total cpu time spent up to now is 296.6 secs Computing kpt #: 167 total cpu time spent up to now is 298.3 secs Computing kpt #: 168 total cpu time spent up to now is 299.9 secs Computing kpt #: 169 total cpu time spent up to now is 301.6 secs Computing kpt #: 170 total cpu time spent up to now is 303.2 secs Computing kpt #: 171 total cpu time spent up to now is 304.9 secs Computing kpt #: 172 total cpu time spent up to now is 306.5 secs Computing kpt #: 173 total cpu time spent up to now is 308.1 secs Computing kpt #: 174 total cpu time spent up to now is 309.7 secs Computing kpt #: 175 total cpu time spent up to now is 311.2 secs Computing kpt #: 176 total cpu time spent up to now is 312.8 secs Computing kpt #: 177 total cpu time spent up to now is 314.3 secs Computing kpt #: 178 total cpu time spent up to now is 315.8 secs Computing kpt #: 179 total cpu time spent up to now is 317.3 secs Computing kpt #: 180 total cpu time spent up to now is 318.8 secs Computing kpt #: 181 total cpu time spent up to now is 320.3 secs Computing kpt #: 182 total cpu time spent up to now is 321.8 secs Computing kpt #: 183 total cpu 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up to now is 347.5 secs Computing kpt #: 199 total cpu time spent up to now is 349.4 secs Computing kpt #: 200 total cpu time spent up to now is 351.2 secs Computing kpt #: 201 total cpu time spent up to now is 353.0 secs Computing kpt #: 202 total cpu time spent up to now is 354.8 secs Computing kpt #: 203 total cpu time spent up to now is 356.5 secs Computing kpt #: 204 total cpu time spent up to now is 358.1 secs Computing kpt #: 205 total cpu time spent up to now is 359.6 secs Computing kpt #: 206 total cpu time spent up to now is 361.3 secs Computing kpt #: 207 total cpu time spent up to now is 362.8 secs Computing kpt #: 208 total cpu time spent up to now is 364.4 secs Computing kpt #: 209 total cpu time spent up to now is 365.9 secs Computing kpt #: 210 total cpu time spent up to now is 367.6 secs Computing kpt #: 211 total cpu time spent up to now is 369.2 secs Computing kpt #: 212 total cpu time spent up to now is 370.7 secs Computing kpt #: 213 total cpu time spent up to now is 372.3 secs Computing kpt #: 214 total cpu time spent up to now is 374.0 secs Computing kpt #: 215 total cpu time spent up to now is 375.6 secs Computing kpt #: 216 total cpu time spent up to now is 377.2 secs Computing kpt #: 217 total cpu time spent up to now is 378.8 secs Computing kpt #: 218 total cpu time spent up to now is 380.3 secs Computing kpt #: 219 total cpu time spent up to now is 381.9 secs Computing kpt #: 220 total cpu time spent up to now is 383.4 secs Computing kpt #: 221 total cpu time spent up to now is 384.9 secs Computing kpt #: 222 total cpu time spent up to now is 386.4 secs Computing kpt #: 223 total cpu time spent up to now is 388.0 secs Computing kpt #: 224 total cpu time spent up to now is 389.4 secs Computing kpt #: 225 total cpu time spent up to now is 390.9 secs Computing kpt #: 226 total cpu time spent up to now is 392.5 secs Computing kpt #: 227 total cpu time spent up to now is 394.0 secs Computing kpt #: 228 total cpu time spent up to now is 395.4 secs Computing kpt #: 229 total cpu time spent up to now is 396.9 secs Computing kpt #: 230 total cpu time spent up to now is 398.4 secs Computing kpt #: 231 total cpu time spent up to now is 399.9 secs Computing kpt #: 232 total cpu time spent up to now is 401.4 secs Computing kpt #: 233 total cpu time spent up to now is 402.9 secs Computing kpt #: 234 total cpu time spent up to now is 404.4 secs Computing kpt #: 235 total cpu time spent up to now is 405.9 secs Computing kpt #: 236 total cpu time spent up to now is 407.3 secs Computing kpt #: 237 total cpu time spent up to now is 408.8 secs Computing kpt #: 238 total cpu time spent up to now is 410.1 secs Computing kpt #: 239 total cpu time spent up to now is 411.5 secs Computing kpt #: 240 total cpu time spent up to now is 412.8 secs Computing kpt #: 241 total cpu time spent up to now is 414.3 secs Computing kpt #: 242 total cpu time spent up to now is 415.7 secs Computing kpt #: 243 total cpu time spent up to now is 417.0 secs Computing kpt #: 244 total cpu time spent up to now is 418.4 secs Computing kpt #: 245 total cpu time spent up to now is 419.7 secs Computing kpt #: 246 total cpu time spent up to now is 421.1 secs Computing kpt #: 247 total cpu time spent up to now is 422.5 secs Computing kpt #: 248 total cpu time spent up to now is 423.8 secs Computing kpt #: 249 total cpu time spent up to now is 425.2 secs Computing kpt #: 250 total cpu time spent up to now is 426.6 secs Computing kpt #: 251 total cpu time spent up to now is 428.1 secs Computing kpt #: 252 total cpu time spent up to now is 429.4 secs Computing kpt #: 253 total cpu time spent up to now is 430.8 secs Computing kpt #: 254 total cpu time spent up to now is 432.2 secs Computing kpt #: 255 total cpu time spent up to now is 433.6 secs Computing kpt #: 256 total cpu time spent up to now is 435.0 secs Computing kpt #: 257 total cpu time spent up to now is 436.3 secs Computing kpt #: 258 total cpu time spent up to now is 437.7 secs Computing kpt #: 259 total cpu time spent up to now is 439.1 secs Computing kpt #: 260 total cpu time spent up to now is 440.5 secs Computing kpt #: 261 total cpu time spent up to now is 441.8 secs Computing kpt #: 262 total cpu time spent up to now is 443.2 secs Computing kpt #: 263 total cpu time spent up to now is 444.6 secs Computing kpt #: 264 total cpu time spent up to now is 445.9 secs Computing kpt #: 265 total cpu time spent up to now is 447.3 secs Computing kpt #: 266 total cpu time spent up to now is 448.6 secs Computing kpt #: 267 total cpu time spent up to now is 449.9 secs Computing kpt #: 268 total cpu time spent up to now is 451.3 secs Computing kpt #: 269 total cpu time spent up to now is 452.6 secs Computing kpt #: 270 total cpu time spent up to now is 453.9 secs Computing kpt #: 271 total cpu time spent up to now is 455.3 secs Computing kpt #: 272 total cpu time spent up to now is 456.6 secs Computing kpt #: 273 total cpu time spent up to now is 458.0 secs Computing kpt #: 274 total cpu time spent up to now is 459.3 secs Computing kpt #: 275 total cpu time spent up to now is 460.7 secs Computing kpt #: 276 total cpu time spent up to now is 462.0 secs Computing kpt #: 277 total cpu time spent up to now is 463.4 secs Computing kpt #: 278 total cpu time spent up to now is 464.7 secs Computing kpt #: 279 total cpu time spent up to now is 466.1 secs Computing kpt #: 280 total cpu time spent up to now is 467.5 secs Computing kpt #: 281 total cpu time spent up to now is 468.9 secs Computing kpt #: 282 total cpu time spent up to now is 470.4 secs Computing kpt #: 283 total cpu time spent up to now is 471.9 secs Computing kpt #: 284 total cpu time spent up to now is 473.4 secs Computing kpt #: 285 total cpu time spent up to now is 475.0 secs Computing kpt #: 286 total cpu time spent up to now is 476.6 secs Computing kpt #: 287 total cpu time spent up to now is 478.2 secs Computing kpt #: 288 total cpu time spent up to now is 479.8 secs Computing kpt #: 289 total cpu 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up to now is 507.5 secs Computing kpt #: 305 total cpu time spent up to now is 508.8 secs Computing kpt #: 306 total cpu time spent up to now is 510.3 secs Computing kpt #: 307 total cpu time spent up to now is 511.8 secs Computing kpt #: 308 total cpu time spent up to now is 513.4 secs Computing kpt #: 309 total cpu time spent up to now is 514.9 secs Computing kpt #: 310 total cpu time spent up to now is 516.5 secs Computing kpt #: 311 total cpu time spent up to now is 518.0 secs Computing kpt #: 312 total cpu time spent up to now is 519.5 secs Computing kpt #: 313 total cpu time spent up to now is 521.0 secs Computing kpt #: 314 total cpu time spent up to now is 522.5 secs Computing kpt #: 315 total cpu time spent up to now is 524.0 secs Computing kpt #: 316 total cpu time spent up to now is 525.5 secs Computing kpt #: 317 total cpu time spent up to now is 527.0 secs Computing kpt #: 318 total cpu time spent up to now is 528.7 secs Computing kpt #: 319 total cpu time spent up to now is 530.2 secs Computing kpt #: 320 total cpu time spent up to now is 531.8 secs Computing kpt #: 321 total cpu time spent up to now is 533.4 secs Computing kpt #: 322 total cpu time spent up to now is 535.2 secs Computing kpt #: 323 total cpu time spent up to now is 536.8 secs Computing kpt #: 324 total cpu time spent up to now is 538.4 secs Computing kpt #: 325 total cpu time spent up to now is 540.0 secs Computing kpt #: 326 total cpu time spent up to now is 541.6 secs Computing kpt #: 327 total cpu time spent up to now is 543.1 secs Computing kpt #: 328 total cpu time spent up to now is 544.7 secs Computing kpt #: 329 total cpu time spent up to now is 546.3 secs Computing kpt #: 330 total cpu time spent up to now is 548.0 secs Computing kpt #: 331 total cpu time spent up to now is 549.5 secs Computing kpt #: 332 total cpu time spent up to now is 551.1 secs Computing kpt #: 333 total cpu time spent up to now is 552.8 secs Computing kpt #: 334 total cpu time spent up to now is 554.5 secs Computing kpt #: 335 total cpu time spent up to now is 556.1 secs Computing kpt #: 336 total cpu time spent up to now is 557.7 secs Computing kpt #: 337 total cpu time spent up to now is 559.4 secs Computing kpt #: 338 total cpu time spent up to now is 560.9 secs Computing kpt #: 339 total cpu time spent up to now is 562.5 secs Computing kpt #: 340 total cpu time spent up to now is 564.0 secs Computing kpt #: 341 total cpu time spent up to now is 565.5 secs Computing kpt #: 342 total cpu time spent up to now is 567.0 secs Computing kpt #: 343 total cpu time spent up to now is 568.5 secs Computing kpt #: 344 total cpu time spent up to now is 570.0 secs Computing kpt #: 345 total cpu time spent up to now is 571.5 secs Computing kpt #: 346 total cpu time spent up to now is 573.0 secs Computing kpt #: 347 total cpu time spent up to now is 574.4 secs Computing kpt #: 348 total cpu time spent up to now is 575.9 secs Computing kpt #: 349 total cpu time spent up to now is 577.4 secs Computing kpt #: 350 total cpu time spent up to now is 579.0 secs Computing kpt #: 351 total cpu time spent up to now is 580.6 secs Computing kpt #: 352 total cpu time spent up to now is 582.3 secs Computing kpt #: 353 total cpu time spent up to now is 583.9 secs Computing kpt #: 354 total cpu time spent up to now is 585.6 secs Computing kpt #: 355 total cpu time spent up to now is 587.2 secs Computing kpt #: 356 total cpu time spent up to now is 588.9 secs Computing kpt #: 357 total cpu time spent up to now is 590.6 secs Computing kpt #: 358 total cpu time spent up to now is 592.2 secs Computing kpt #: 359 total cpu time spent up to now is 593.8 secs Computing kpt #: 360 total cpu time spent up to now is 595.6 secs Computing kpt #: 361 total cpu time spent up to now is 597.2 secs Computing kpt #: 362 total cpu time spent up to now is 598.7 secs Computing kpt #: 363 total cpu time spent up to now is 600.3 secs Computing kpt #: 364 total cpu time spent up to now is 601.8 secs Computing kpt #: 365 total cpu time spent up to now is 603.3 secs Computing kpt #: 366 total cpu time spent up to now is 604.7 secs Computing kpt #: 367 total cpu time spent up to now is 606.2 secs Computing kpt #: 368 total cpu time spent up to now is 607.7 secs Computing kpt #: 369 total cpu time spent up to now is 609.2 secs Computing kpt #: 370 total cpu time spent up to now is 610.8 secs Computing kpt #: 371 total cpu time spent up to now is 612.4 secs Computing kpt #: 372 total cpu time spent up to now is 614.0 secs Computing kpt #: 373 total cpu time spent up to now is 615.5 secs Computing kpt #: 374 total cpu time spent up to now is 617.1 secs Computing kpt #: 375 total cpu time spent up to now is 618.8 secs Computing kpt #: 376 total cpu time spent up to now is 620.4 secs Computing kpt #: 377 total cpu time spent up to now is 622.0 secs Computing kpt #: 378 total cpu time spent up to now is 623.5 secs Computing kpt #: 379 total cpu time spent up to now is 625.1 secs Computing kpt #: 380 total cpu time spent up to now is 626.7 secs Computing kpt #: 381 total cpu time spent up to now is 628.2 secs Computing kpt #: 382 total cpu time spent up to now is 629.6 secs Computing kpt #: 383 total cpu time spent up to now is 631.0 secs Computing kpt #: 384 total cpu time spent up to now is 632.3 secs Computing kpt #: 385 total cpu time spent up to now is 633.6 secs Computing kpt #: 386 total cpu time spent up to now is 635.1 secs Computing kpt #: 387 total cpu time spent up to now is 636.5 secs Computing kpt #: 388 total cpu time spent up to now is 637.9 secs Computing kpt #: 389 total cpu time spent up to now is 639.2 secs Computing kpt #: 390 total cpu time spent up to now is 640.5 secs Computing kpt #: 391 total cpu time spent up to now is 641.9 secs Computing kpt #: 392 total cpu time spent up to now is 643.2 secs Computing kpt #: 393 total cpu time spent up to now is 644.5 secs Computing kpt #: 394 total cpu time spent up to now is 645.8 secs Computing kpt #: 395 total cpu time spent up to now is 647.1 secs Computing kpt #: 396 total cpu time spent up to now is 648.5 secs Computing kpt #: 397 total cpu time spent up to now is 649.9 secs Computing kpt #: 398 total cpu time spent up to now is 651.2 secs Computing kpt #: 399 total cpu time spent up to now is 652.5 secs Computing kpt #: 400 total cpu time spent up to now is 653.8 secs ethr = 2.50E-11, avg # of iterations = 24.7 total cpu time spent up to now is 654.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4691 PWs) bands (ev): -8.4046 -8.4046 -7.8729 -7.8729 -7.1382 -7.1382 -6.3097 -6.3097 -1.4840 -1.4840 -0.9154 -0.9154 0.4029 0.4029 0.8283 0.8283 1.0647 1.0647 2.1986 2.1986 2.3631 2.3631 2.7144 2.7144 2.7164 2.7164 3.2186 3.2186 3.7256 3.7256 3.9695 3.9695 4.4262 4.4262 5.0164 5.0164 5.3066 5.3066 6.0271 6.0271 7.3021 7.3021 8.8206 8.8206 9.0557 9.0557 9.2307 9.2307 k = 0.0114-0.0000-0.0000 ( 4687 PWs) bands (ev): -8.4035 -8.4035 -7.8719 -7.8719 -7.1373 -7.1373 -6.3091 -6.3091 -1.4852 -1.4852 -0.9173 -0.9173 0.4038 0.4038 0.8270 0.8270 1.0598 1.0598 2.1996 2.1996 2.3636 2.3636 2.6839 2.6839 2.7454 2.7454 3.2154 3.2154 3.7260 3.7260 3.9698 3.9698 4.4227 4.4227 5.0171 5.0171 5.3089 5.3089 6.0273 6.0273 7.3034 7.3034 8.8249 8.8249 9.0615 9.0615 9.2345 9.2345 k = 0.0227-0.0000-0.0000 ( 4689 PWs) bands (ev): -8.4002 -8.4002 -7.8689 -7.8689 -7.1347 -7.1347 -6.3075 -6.3075 -1.4890 -1.4890 -0.9229 -0.9229 0.4066 0.4066 0.8230 0.8230 1.0453 1.0453 2.2028 2.2028 2.3652 2.3652 2.6508 2.6508 2.7739 2.7739 3.2058 3.2058 3.7272 3.7272 3.9708 3.9708 4.4125 4.4125 5.0190 5.0190 5.3158 5.3158 6.0280 6.0280 7.3074 7.3074 8.8374 8.8374 9.0787 9.0787 9.2453 9.2453 k = 0.0341-0.0000-0.0000 ( 4691 PWs) bands (ev): -8.3948 -8.3948 -7.8638 -7.8638 -7.1303 -7.1303 -6.3049 -6.3049 -1.4954 -1.4954 -0.9323 -0.9323 0.4111 0.4111 0.8162 0.8162 1.0212 1.0212 2.2081 2.2081 2.3678 2.3678 2.6164 2.6164 2.8009 2.8009 3.1901 3.1901 3.7292 3.7292 3.9722 3.9722 4.3960 4.3960 5.0221 5.0221 5.3270 5.3270 6.0289 6.0289 7.3138 7.3138 8.8580 8.8580 9.1070 9.1070 9.2606 9.2606 k = 0.0455-0.0000-0.0000 ( 4689 PWs) bands (ev): -8.3871 -8.3871 -7.8569 -7.8569 -7.1242 -7.1242 -6.3012 -6.3012 -1.5043 -1.5043 -0.9454 -0.9454 0.4173 0.4173 0.8069 0.8069 0.9878 0.9878 2.2155 2.2155 2.3717 2.3717 2.5808 2.5808 2.8266 2.8266 3.1689 3.1689 3.7322 3.7322 3.9741 3.9741 4.3738 4.3738 5.0263 5.0263 5.3423 5.3423 6.0295 6.0295 7.3226 7.3226 8.8859 8.8859 9.1458 9.1458 9.2740 9.2740 k = 0.0568-0.0000-0.0000 ( 4693 PWs) bands (ev): -8.3773 -8.3773 -7.8479 -7.8479 -7.1163 -7.1163 -6.2966 -6.2966 -1.5158 -1.5158 -0.9624 -0.9624 0.4250 0.4250 0.7949 0.7949 0.9452 0.9452 2.2249 2.2249 2.3769 2.3769 2.5445 2.5445 2.8512 2.8512 3.1429 3.1429 3.7361 3.7361 3.9762 3.9762 4.3468 4.3468 5.0317 5.0317 5.3614 5.3614 6.0294 6.0294 7.3334 7.3334 8.9204 8.9204 9.1942 9.1942 9.2791 9.2791 k = 0.0682-0.0000-0.0000 ( 4693 PWs) bands (ev): -8.3654 -8.3654 -7.8369 -7.8369 -7.1068 -7.1068 -6.2910 -6.2910 -1.5300 -1.5300 -0.9831 -0.9831 0.4339 0.4339 0.7806 0.7806 0.8940 0.8940 2.2363 2.2363 2.3835 2.3835 2.5080 2.5080 2.8746 2.8746 3.1129 3.1129 3.7412 3.7412 3.9782 3.9782 4.3162 4.3162 5.0379 5.0379 5.3838 5.3838 6.0279 6.0279 7.3460 7.3460 8.9600 8.9600 9.2505 9.2505 9.2755 9.2755 k = 0.0795-0.0000-0.0000 ( 4687 PWs) bands (ev): -8.3512 -8.3512 -7.8240 -7.8240 -7.0956 -7.0956 -6.2844 -6.2844 -1.5468 -1.5468 -1.0075 -1.0075 0.4436 0.4436 0.7642 0.7642 0.8346 0.8346 2.2495 2.2495 2.3917 2.3917 2.4717 2.4717 2.8970 2.8970 3.0800 3.0800 3.7474 3.7474 3.9796 3.9796 4.2835 4.2835 5.0451 5.0451 5.4091 5.4091 6.0246 6.0246 7.3602 7.3602 9.0030 9.0030 9.2582 9.2582 9.3155 9.3155 k = 0.0909-0.0000-0.0000 ( 4697 PWs) bands (ev): -8.3350 -8.3350 -7.8092 -7.8092 -7.0827 -7.0827 -6.2771 -6.2771 -1.5664 -1.5664 -1.0356 -1.0356 0.4533 0.4533 0.7462 0.7462 0.7673 0.7673 2.2644 2.2644 2.4014 2.4014 2.4365 2.4365 2.9177 2.9177 3.0458 3.0458 3.7550 3.7550 3.9795 3.9795 4.2504 4.2504 5.0529 5.0529 5.4369 5.4369 6.0189 6.0189 7.3757 7.3757 9.0470 9.0470 9.2276 9.2276 9.3811 9.3811 k = 0.1023-0.0000-0.0000 ( 4690 PWs) bands (ev): -8.3166 -8.3166 -7.7924 -7.7924 -7.0683 -7.0683 -6.2689 -6.2689 -1.5886 -1.5886 -1.0674 -1.0674 0.4617 0.4617 0.6929 0.6929 0.7279 0.7279 2.2802 2.2802 2.4022 2.4022 2.4139 2.4139 2.9341 2.9341 3.0140 3.0140 3.7639 3.7639 3.9768 3.9768 4.2190 4.2190 5.0614 5.0614 5.4667 5.4667 6.0102 6.0102 7.3923 7.3923 9.0886 9.0886 9.1803 9.1803 9.4267 9.4267 k = 0.1136-0.0000-0.0000 ( 4702 PWs) bands (ev): -8.2961 -8.2961 -7.7737 -7.7737 -7.0522 -7.0522 -6.2601 -6.2601 -1.6137 -1.6137 -1.1027 -1.1027 0.4669 0.4669 0.6119 0.6119 0.7110 0.7110 2.2952 2.2952 2.3738 2.3738 2.4267 2.4267 2.9350 2.9350 2.9969 2.9969 3.7742 3.7742 3.9699 3.9699 4.1920 4.1920 5.0705 5.0705 5.4982 5.4982 5.9982 5.9982 7.4098 7.4098 9.1013 9.1013 9.1409 9.1409 9.4401 9.4401 k = 0.1250-0.0000-0.0000 ( 4698 PWs) bands (ev): -8.2735 -8.2735 -7.7532 -7.7532 -7.0347 -7.0347 -6.2507 -6.2507 -1.6415 -1.6415 -1.1415 -1.1415 0.4657 0.4657 0.5250 0.5250 0.6986 0.6986 2.3018 2.3018 2.3572 2.3572 2.4417 2.4417 2.9108 2.9108 3.0051 3.0051 3.7858 3.7858 3.9572 3.9572 4.1716 4.1716 5.0799 5.0799 5.5308 5.5308 5.9827 5.9827 7.4281 7.4281 9.0259 9.0259 9.1683 9.1683 9.4370 9.4370 k = 0.1364-0.0000-0.0000 ( 4700 PWs) bands (ev): -8.2488 -8.2488 -7.7308 -7.7308 -7.0158 -7.0158 -6.2407 -6.2407 -1.6721 -1.6721 -1.1834 -1.1834 0.4325 0.4325 0.4552 0.4552 0.6936 0.6936 2.2894 2.2894 2.3637 2.3637 2.4586 2.4586 2.8777 2.8777 3.0233 3.0233 3.7988 3.7988 3.9383 3.9383 4.1592 4.1592 5.0897 5.0897 5.5642 5.5642 5.9634 5.9634 7.4469 7.4469 8.9312 8.9312 9.1955 9.1955 9.4190 9.4190 k = 0.1477-0.0000-0.0000 ( 4698 PWs) bands (ev): -8.2221 -8.2221 -7.7066 -7.7066 -6.9954 -6.9954 -6.2304 -6.2304 -1.7054 -1.7054 -1.2284 -1.2284 0.3357 0.3357 0.4328 0.4328 0.6982 0.6982 2.2684 2.2684 2.3831 2.3831 2.4771 2.4771 2.8441 2.8441 3.0440 3.0440 3.8129 3.8129 3.9145 3.9145 4.1543 4.1543 5.0996 5.0996 5.5979 5.5979 5.9403 5.9403 7.4663 7.4663 8.8261 8.8261 9.2161 9.2161 9.3872 9.3872 k = 0.1591-0.0000-0.0000 ( 4710 PWs) bands (ev): -8.1933 -8.1933 -7.6807 -7.6807 -6.9738 -6.9738 -6.2199 -6.2199 -1.7414 -1.7414 -1.2761 -1.2761 0.2346 0.2346 0.3992 0.3992 0.7117 0.7117 2.2475 2.2475 2.4066 2.4066 2.4973 2.4973 2.8124 2.8124 3.0657 3.0657 3.8276 3.8276 3.8882 3.8882 4.1555 4.1555 5.1097 5.1097 5.6317 5.6317 5.9135 5.9135 7.4861 7.4861 8.7138 8.7138 9.2278 9.2278 9.3441 9.3441 k = 0.1705-0.0000-0.0000 ( 4704 PWs) bands (ev): -8.1625 -8.1625 -7.6530 -7.6530 -6.9509 -6.9509 -6.2092 -6.2092 -1.7800 -1.7800 -1.3261 -1.3261 0.1301 0.1301 0.3563 0.3563 0.7326 0.7326 2.2291 2.2291 2.4318 2.4318 2.5191 2.5191 2.7843 2.7843 3.0878 3.0878 3.8385 3.8385 3.8660 3.8660 4.1611 4.1611 5.1198 5.1198 5.6651 5.6651 5.8832 5.8832 7.5062 7.5062 8.5968 8.5968 9.2243 9.2243 9.2976 9.2976 k = 0.1818-0.0000-0.0000 ( 4690 PWs) bands (ev): -8.1298 -8.1298 -7.6236 -7.6236 -6.9269 -6.9269 -6.1985 -6.1985 -1.8210 -1.8210 -1.3782 -1.3782 0.0226 0.0226 0.3056 0.3056 0.7591 0.7591 2.2139 2.2139 2.4574 2.4574 2.5423 2.5423 2.7610 2.7610 3.1099 3.1099 3.8246 3.8246 3.8704 3.8704 4.1698 4.1698 5.1297 5.1297 5.6975 5.6975 5.8498 5.8498 7.5266 7.5266 8.4772 8.4772 9.1882 9.1882 9.2662 9.2662 k = 0.1932-0.0000-0.0000 ( 4690 PWs) bands (ev): -8.0951 -8.0951 -7.5926 -7.5926 -6.9019 -6.9019 -6.1881 -6.1881 -1.8644 -1.8644 -1.4320 -1.4320 -0.0873 -0.0873 0.2485 0.2485 0.7900 0.7900 2.2022 2.2022 2.4820 2.4820 2.5670 2.5670 2.7442 2.7442 3.1319 3.1319 3.8003 3.8003 3.8879 3.8879 4.1807 4.1807 5.1394 5.1394 5.7276 5.7276 5.8145 5.8145 7.5472 7.5472 8.3567 8.3567 9.1236 9.1236 9.2468 9.2468 k = 0.2045-0.0000-0.0000 ( 4678 PWs) bands (ev): -8.0585 -8.0585 -7.5600 -7.5600 -6.8759 -6.8759 -6.1781 -6.1781 -1.9098 -1.9098 -1.4868 -1.4868 -0.1990 -0.1990 0.1859 0.1859 0.8244 0.8244 2.1942 2.1942 2.5040 2.5040 2.5929 2.5929 2.7356 2.7356 3.1535 3.1535 3.7769 3.7769 3.9078 3.9078 4.1933 4.1933 5.1488 5.1488 5.7471 5.7471 5.7853 5.7853 7.5678 7.5678 8.2369 8.2369 9.0481 9.0481 9.2220 9.2220 k = 0.2159-0.0000-0.0000 ( 4674 PWs) bands (ev): -8.0200 -8.0200 -7.5259 -7.5259 -6.8492 -6.8492 -6.1686 -6.1686 -1.9571 -1.9571 -1.5424 -1.5424 -0.3122 -0.3122 0.1186 0.1186 0.8620 0.8620 2.1899 2.1899 2.5218 2.5218 2.6200 2.6200 2.7371 2.7371 3.1746 3.1746 3.7558 3.7558 3.9290 3.9290 4.2072 4.2072 5.1577 5.1577 5.7226 5.7226 5.7957 5.7957 7.5881 7.5881 8.1190 8.1190 8.9679 8.9679 9.1862 9.1862 k = 0.2273-0.0000-0.0000 ( 4678 PWs) bands (ev): -7.9798 -7.9798 -7.4903 -7.4903 -6.8218 -6.8218 -6.1600 -6.1600 -2.0060 -2.0060 -1.5981 -1.5981 -0.4264 -0.4264 0.0471 0.0471 0.9022 0.9022 2.1893 2.1893 2.5345 2.5345 2.6481 2.6481 2.7495 2.7495 3.1950 3.1950 3.7373 3.7373 3.9511 3.9511 4.2220 4.2220 5.1660 5.1660 5.6808 5.6808 5.8187 5.8187 7.6080 7.6080 8.0048 8.0048 8.8855 8.8855 9.1377 9.1377 k = 0.2386-0.0000-0.0000 ( 4670 PWs) bands (ev): -7.9377 -7.9377 -7.4534 -7.4534 -6.7939 -6.7939 -6.1524 -6.1524 -2.0562 -2.0562 -1.6535 -1.6535 -0.5412 -0.5412 -0.0281 -0.0281 0.9449 0.9449 2.1922 2.1922 2.5430 2.5430 2.6771 2.6771 2.7723 2.7723 3.2142 3.2142 3.7216 3.7216 3.9738 3.9738 4.2378 4.2378 5.1736 5.1736 5.6358 5.6358 5.8400 5.8400 7.6265 7.6265 7.8961 7.8961 8.8024 8.8024 9.0767 9.0767 k = 0.2500-0.0000-0.0000 ( 4672 PWs) bands (ev): -7.8939 -7.8939 -7.4151 -7.4151 -6.7657 -6.7657 -6.1460 -6.1460 -2.1074 -2.1074 -1.7081 -1.7081 -0.6561 -0.6561 -0.1064 -0.1064 0.9898 0.9898 2.1986 2.1986 2.5492 2.5492 2.7069 2.7069 2.8034 2.8034 3.2322 3.2322 3.7085 3.7085 3.9971 3.9971 4.2542 4.2542 5.1803 5.1803 5.5894 5.5894 5.8574 5.8574 7.6408 7.6408 7.7969 7.7969 8.7198 8.7198 9.0048 9.0048 k = 0.2614-0.0000-0.0000 ( 4680 PWs) bands (ev): -7.8485 -7.8485 -7.3756 -7.3756 -6.7374 -6.7374 -6.1412 -6.1412 -2.1591 -2.1591 -1.7611 -1.7611 -0.7708 -0.7708 -0.1876 -0.1876 1.0369 1.0369 2.2083 2.2083 2.5551 2.5551 2.7371 2.7371 2.8407 2.8407 3.2485 3.2485 3.6977 3.6977 4.0207 4.0207 4.2713 4.2713 5.1861 5.1861 5.5424 5.5424 5.8697 5.8697 7.6344 7.6344 7.7250 7.7250 8.6385 8.6385 8.9240 8.9240 k = 0.2727-0.0000-0.0000 ( 4668 PWs) bands (ev): -7.8014 -7.8014 -7.3351 -7.3351 -6.7090 -6.7090 -6.1380 -6.1380 -2.2110 -2.2110 -1.8122 -1.8122 -0.8850 -0.8850 -0.2710 -0.2710 1.0860 1.0860 2.2210 2.2210 2.5622 2.5622 2.7678 2.7678 2.8826 2.8826 3.2629 3.2629 3.6889 3.6889 4.0444 4.0444 4.2892 4.2892 5.1908 5.1908 5.4954 5.4954 5.8758 5.8758 7.5760 7.5760 7.7126 7.7126 8.5594 8.5594 8.8370 8.8370 k = 0.2841-0.0000-0.0000 ( 4670 PWs) bands (ev): -7.7528 -7.7528 -7.2935 -7.2935 -6.6810 -6.6810 -6.1369 -6.1369 -2.2627 -2.2627 -1.8608 -1.8608 -0.9983 -0.9983 -0.3564 -0.3564 1.1370 1.1370 2.2364 2.2364 2.5713 2.5713 2.7985 2.7985 2.9282 2.9282 3.2750 3.2750 3.6816 3.6816 4.0679 4.0679 4.3077 4.3077 5.1944 5.1944 5.4489 5.4489 5.8745 5.8745 7.5024 7.5024 7.7243 7.7243 8.4829 8.4829 8.7458 8.7458 k = 0.2955-0.0000-0.0000 ( 4674 PWs) bands (ev): -7.7027 -7.7027 -7.2510 -7.2510 -6.6535 -6.6535 -6.1380 -6.1380 -2.3136 -2.3136 -1.9063 -1.9063 -1.1104 -1.1104 -0.4432 -0.4432 1.1898 1.1898 2.2544 2.2544 2.5830 2.5830 2.8292 2.8292 2.9766 2.9766 3.2846 3.2846 3.6754 3.6754 4.0912 4.0912 4.3271 4.3271 5.1966 5.1966 5.4036 5.4036 5.8649 5.8649 7.4349 7.4349 7.7395 7.7395 8.4094 8.4094 8.6524 8.6524 k = 0.3068-0.0000-0.0000 ( 4680 PWs) bands (ev): -7.6512 -7.6512 -7.2077 -7.2077 -6.6267 -6.6267 -6.1416 -6.1416 -2.3634 -2.3634 -1.9484 -1.9484 -1.2209 -1.2209 -0.5312 -0.5312 1.2443 1.2443 2.2744 2.2744 2.5974 2.5974 2.8595 2.8595 3.0275 3.0275 3.2915 3.2915 3.6697 3.6697 4.1140 4.1140 4.3474 4.3474 5.1975 5.1975 5.3598 5.3598 5.8463 5.8463 7.3777 7.3777 7.7547 7.7547 8.3393 8.3393 8.5583 8.5583 k = 0.3182-0.0000-0.0000 ( 4694 PWs) bands (ev): -7.5984 -7.5984 -7.1638 -7.1638 -6.6009 -6.6009 -6.1479 -6.1479 -2.4115 -2.4115 -1.9864 -1.9864 -1.3297 -1.3297 -0.6198 -0.6198 1.3003 1.3003 2.2961 2.2961 2.6146 2.6146 2.8892 2.8892 3.0804 3.0804 3.2954 3.2954 3.6639 3.6639 4.1359 4.1359 4.3687 4.3687 5.1970 5.1970 5.3180 5.3180 5.8184 5.8184 7.3321 7.3321 7.7687 7.7687 8.2728 8.2728 8.4650 8.4650 k = 0.3295-0.0000-0.0000 ( 4688 PWs) bands (ev): -7.5444 -7.5444 -7.1195 -7.1195 -6.5764 -6.5764 -6.1571 -6.1571 -2.4574 -2.4574 -2.0200 -2.0200 -1.4363 -1.4363 -0.7088 -0.7088 1.3578 1.3578 2.3190 2.3190 2.6345 2.6345 2.9181 2.9181 3.1351 3.1351 3.2964 3.2964 3.6576 3.6576 4.1567 4.1567 4.3913 4.3913 5.1950 5.1950 5.2785 5.2785 5.7814 5.7814 7.2982 7.2982 7.7807 7.7807 8.2100 8.2100 8.3736 8.3736 k = 0.3409-0.0000-0.0000 ( 4678 PWs) bands (ev): -7.4892 -7.4892 -7.0748 -7.0748 -6.5535 -6.5535 -6.1694 -6.1694 -2.5006 -2.5006 -2.0487 -2.0487 -1.5406 -1.5406 -0.7977 -0.7977 1.4167 1.4167 2.3427 2.3427 2.6569 2.6569 2.9458 2.9458 3.1913 3.1913 3.2945 3.2945 3.6501 3.6501 4.1760 4.1760 4.4153 4.4153 5.1915 5.1915 5.2417 5.2417 5.7363 5.7363 7.2757 7.2757 7.7901 7.7901 8.1509 8.1509 8.2849 8.2849 k = 0.3523-0.0000-0.0000 ( 4682 PWs) bands (ev): -7.4330 -7.4330 -7.0299 -7.0299 -6.5325 -6.5325 -6.1849 -6.1849 -2.5407 -2.5407 -2.0723 -2.0723 -1.6422 -1.6422 -0.8862 -0.8862 1.4768 1.4768 2.3664 2.3664 2.6817 2.6817 2.9720 2.9720 3.2479 3.2479 3.2908 3.2908 3.6411 3.6411 4.1936 4.1936 4.4407 4.4407 5.1862 5.1862 5.2078 5.2078 5.6842 5.6842 7.2635 7.2635 7.7963 7.7963 8.0953 8.0953 8.1998 8.1998 k = 0.3636-0.0000-0.0000 ( 4690 PWs) bands (ev): -7.3760 -7.3760 -6.9851 -6.9851 -6.5136 -6.5136 -6.2037 -6.2037 -2.5772 -2.5772 -2.0905 -2.0905 -1.7408 -1.7408 -0.9740 -0.9740 1.5379 1.5379 2.3894 2.3894 2.7085 2.7085 2.9963 2.9963 3.2785 3.2785 3.3120 3.3120 3.6301 3.6301 4.2090 4.2090 4.4677 4.4677 5.1726 5.1726 5.1834 5.1834 5.6269 5.6269 7.2603 7.2603 7.7987 7.7987 8.0431 8.0431 8.1193 8.1193 k = 0.3750-0.0000-0.0000 ( 4694 PWs) bands (ev): -7.3181 -7.3181 -6.9405 -6.9405 -6.4971 -6.4971 -6.2260 -6.2260 -2.6094 -2.6094 -2.1030 -2.1030 -1.8361 -1.8361 -1.0606 -1.0606 1.6000 1.6000 2.4108 2.4108 2.7370 2.7370 3.0185 3.0185 3.2714 3.2714 3.3704 3.3704 3.6167 3.6167 4.2217 4.2217 4.4963 4.4963 5.1450 5.1450 5.1744 5.1744 5.5661 5.5661 7.2646 7.2646 7.7968 7.7968 7.9938 7.9938 8.0440 8.0440 k = 0.3864-0.0000-0.0000 ( 4694 PWs) bands (ev): -7.2596 -7.2596 -6.8964 -6.8964 -6.4834 -6.4834 -6.2517 -6.2517 -2.6371 -2.6371 -2.1096 -2.1096 -1.9280 -1.9280 -1.1459 -1.1459 1.6628 1.6628 2.4296 2.4296 2.7669 2.7669 3.0382 3.0382 3.2619 3.2619 3.4311 3.4311 3.6010 3.6010 4.2313 4.2313 4.5264 4.5264 5.1180 5.1180 5.1657 5.1657 5.5036 5.5036 7.2752 7.2752 7.7901 7.7901 7.9468 7.9468 7.9753 7.9753 k = 0.3977-0.0000-0.0000 ( 4706 PWs) bands (ev): -7.2006 -7.2006 -6.8530 -6.8530 -6.4727 -6.4727 -6.2809 -6.2809 -2.6597 -2.6597 -2.1102 -2.1102 -2.0159 -2.0159 -1.2294 -1.2294 1.7261 1.7261 2.4446 2.4446 2.7978 2.7978 3.0551 3.0551 3.2526 3.2526 3.4926 3.4926 3.5829 3.5829 4.2371 4.2371 4.5580 4.5580 5.0926 5.0926 5.1563 5.1563 5.4413 5.4413 7.2906 7.2906 7.7784 7.7784 7.8993 7.8993 7.9161 7.9161 k = 0.4091-0.0000-0.0000 ( 4696 PWs) bands (ev): -7.1412 -7.1412 -6.8105 -6.8105 -6.4652 -6.4652 -6.3134 -6.3134 -2.6768 -2.6768 -2.1049 -2.1049 -2.0996 -2.0996 -1.3109 -1.3109 1.7898 1.7898 2.4544 2.4544 2.8293 2.8293 3.0690 3.0690 3.2448 3.2448 3.5495 3.5495 3.5673 3.5673 4.2385 4.2385 4.5908 4.5908 5.0684 5.0684 5.1463 5.1463 5.3809 5.3809 7.3098 7.3098 7.7618 7.7618 7.8482 7.8482 7.8700 7.8700 k = 0.4205-0.0000-0.0000 ( 4688 PWs) bands (ev): -7.0817 -7.0817 -6.7692 -6.7692 -6.4612 -6.4612 -6.3492 -6.3492 -2.6881 -2.6881 -2.1792 -2.1792 -2.0933 -2.0933 -1.3901 -1.3901 1.8534 1.8534 2.4579 2.4579 2.8609 2.8609 3.0795 3.0795 3.2399 3.2399 3.5366 3.5366 3.6194 3.6194 4.2347 4.2347 4.6246 4.6246 5.0449 5.0449 5.1362 5.1362 5.3240 5.3240 7.3319 7.3319 7.7405 7.7405 7.8001 7.8001 7.8307 7.8307 k = 0.4318-0.0000-0.0000 ( 4692 PWs) bands (ev): -7.0222 -7.0222 -6.7293 -6.7293 -6.4608 -6.4608 -6.3881 -6.3881 -2.6934 -2.6934 -2.2540 -2.2540 -2.0759 -2.0759 -1.4666 -1.4666 1.9169 1.9169 2.4539 2.4539 2.8922 2.8922 3.0864 3.0864 3.2391 3.2391 3.5114 3.5114 3.6816 3.6816 4.2252 4.2252 4.6592 4.6592 5.0216 5.0216 5.1263 5.1263 5.2721 5.2721 7.3562 7.3562 7.7151 7.7151 7.7589 7.7589 7.7951 7.7951 k = 0.4432-0.0000-0.0000 ( 4692 PWs) bands (ev): -6.9629 -6.9629 -6.6913 -6.6913 -6.4641 -6.4641 -6.4300 -6.4300 -2.6923 -2.6923 -2.3237 -2.3237 -2.0526 -2.0526 -1.5402 -1.5402 1.9797 1.9797 2.4419 2.4419 2.9227 2.9227 3.0897 3.0897 3.2432 3.2432 3.4840 3.4840 3.7438 3.7438 4.2093 4.2093 4.6941 4.6941 4.9979 4.9979 5.1170 5.1170 5.2263 5.2263 7.3823 7.3823 7.6868 7.6868 7.7248 7.7248 7.7626 7.7626 k = 0.4545-0.0000-0.0000 ( 4698 PWs) bands (ev): -6.9040 -6.9040 -6.6552 -6.6552 -6.4750 -6.4750 -6.4709 -6.4709 -2.6846 -2.6846 -2.3881 -2.3881 -2.0236 -2.0236 -1.6106 -1.6106 2.0415 2.0415 2.4214 2.4214 2.9520 2.9520 3.0891 3.0891 3.2526 3.2526 3.4550 3.4550 3.8052 3.8052 4.1866 4.1866 4.7290 4.7290 4.9734 4.9734 5.1090 5.1090 5.1875 5.1875 7.4098 7.4098 7.6570 7.6570 7.6977 7.6977 7.7336 7.7336 k = 0.4659-0.0000-0.0000 ( 4686 PWs) bands (ev): -6.8456 -6.8456 -6.6215 -6.6215 -6.5220 -6.5220 -6.4821 -6.4821 -2.6704 -2.6704 -2.4470 -2.4470 -1.9890 -1.9890 -1.6774 -1.6774 2.1018 2.1018 2.3930 2.3930 2.9796 2.9796 3.0846 3.0846 3.2673 3.2673 3.4252 3.4252 3.8654 3.8654 4.1570 4.1570 4.7636 4.7636 4.9477 4.9477 5.1030 5.1030 5.1562 5.1562 7.4385 7.4385 7.6261 7.6261 7.6779 7.6779 7.7087 7.7087 k = 0.4773-0.0000-0.0000 ( 4680 PWs) bands (ev): -6.7882 -6.7882 -6.5903 -6.5903 -6.5716 -6.5716 -6.4967 -6.4967 -2.6494 -2.6494 -2.5000 -2.5000 -1.9491 -1.9491 -1.7404 -1.7404 2.1600 2.1600 2.3572 2.3572 3.0049 3.0049 3.0760 3.0760 3.2868 3.2868 3.3950 3.3950 3.9236 3.9236 4.1209 4.1209 4.7974 4.7974 4.9206 4.9206 5.0998 5.0998 5.1323 5.1323 7.4682 7.4682 7.5944 7.5944 7.6658 7.6658 7.6883 7.6883 k = 0.4886-0.0000-0.0000 ( 4684 PWs) bands (ev): -6.7318 -6.7318 -6.6233 -6.6233 -6.5621 -6.5621 -6.5150 -6.5150 -2.6218 -2.6218 -2.5469 -2.5469 -1.9040 -1.9040 -1.7994 -1.7994 2.2155 2.2155 2.3150 2.3150 3.0276 3.0276 3.0635 3.0635 3.3102 3.3102 3.3652 3.3652 3.9791 3.9791 4.0786 4.0786 4.8303 4.8303 4.8920 4.8920 5.1002 5.1002 5.1155 5.1155 7.4989 7.4989 7.5623 7.5623 7.6613 7.6613 7.6732 7.6732 k = 0.5000-0.0000-0.0000 ( 4698 PWs) bands (ev): -6.6768 -6.6768 -6.6768 -6.6768 -6.5369 -6.5369 -6.5369 -6.5369 -2.5876 -2.5876 -2.5876 -2.5876 -1.8540 -1.8540 -1.8540 -1.8540 2.2675 2.2675 2.2675 2.2675 3.0473 3.0473 3.0473 3.0473 3.3367 3.3367 3.3367 3.3367 4.0311 4.0311 4.0311 4.0311 4.8619 4.8619 4.8619 4.8619 5.1051 5.1051 5.1051 5.1051 7.5303 7.5303 7.5303 7.5303 7.6640 7.6640 7.6640 7.6640 k = 0.5000-0.0000-0.0000 ( 4698 PWs) bands (ev): -6.6768 -6.6768 -6.6768 -6.6768 -6.5369 -6.5369 -6.5369 -6.5369 -2.5876 -2.5876 -2.5876 -2.5876 -1.8540 -1.8540 -1.8540 -1.8540 2.2675 2.2675 2.2675 2.2675 3.0473 3.0473 3.0473 3.0473 3.3367 3.3367 3.3367 3.3367 4.0311 4.0311 4.0311 4.0311 4.8619 4.8619 4.8619 4.8619 5.1051 5.1051 5.1051 5.1051 7.5303 7.5303 7.5303 7.5303 7.6640 7.6640 7.6640 7.6640 k = 0.5000 0.0115-0.0000 ( 4682 PWs) bands (ev): -6.6763 -6.6763 -6.6763 -6.6763 -6.5366 -6.5366 -6.5365 -6.5365 -2.5867 -2.5867 -2.5867 -2.5867 -1.8537 -1.8537 -1.8537 -1.8537 2.2663 2.2663 2.2664 2.2664 3.0414 3.0414 3.0441 3.0441 3.3265 3.3265 3.3272 3.3272 4.0324 4.0324 4.0377 4.0377 4.8482 4.8482 4.8555 4.8555 5.1104 5.1104 5.1141 5.1141 7.5168 7.5168 7.5234 7.5234 7.6756 7.6756 7.6770 7.6770 k = 0.5000 0.0229-0.0000 ( 4680 PWs) bands (ev): -6.6750 -6.6750 -6.6750 -6.6750 -6.5355 -6.5355 -6.5355 -6.5355 -2.5841 -2.5841 -2.5840 -2.5840 -1.8529 -1.8529 -1.8528 -1.8528 2.2628 2.2628 2.2629 2.2629 3.0264 3.0264 3.0319 3.0319 3.2981 3.2981 3.3001 3.3001 4.0404 4.0404 4.0504 4.0504 4.8185 4.8185 4.8306 4.8306 5.1288 5.1288 5.1338 5.1338 7.4895 7.4895 7.5013 7.5013 7.7066 7.7066 7.7085 7.7085 k = 0.5000 0.0344-0.0000 ( 4680 PWs) bands (ev): -6.6728 -6.6728 -6.6728 -6.6728 -6.5339 -6.5339 -6.5338 -6.5338 -2.5798 -2.5798 -2.5796 -2.5796 -1.8515 -1.8515 -1.8514 -1.8514 2.2567 2.2567 2.2569 2.2569 3.0017 3.0017 3.0106 3.0106 3.2553 3.2553 3.2597 3.2597 4.0515 4.0515 4.0653 4.0653 4.7782 4.7782 4.7922 4.7922 5.1557 5.1557 5.1595 5.1595 7.4558 7.4558 7.4725 7.4725 7.7499 7.7499 7.7518 7.7518 k = 0.5000 0.0458-0.0000 ( 4682 PWs) bands (ev): -6.6698 -6.6698 -6.6697 -6.6697 -6.5315 -6.5315 -6.5315 -6.5315 -2.5737 -2.5737 -2.5735 -2.5735 -1.8496 -1.8496 -1.8495 -1.8495 2.2478 2.2478 2.2482 2.2482 2.9671 2.9671 2.9799 2.9799 3.2033 3.2033 3.2111 3.2111 4.0613 4.0613 4.0776 4.0776 4.7312 4.7312 4.7450 4.7450 5.1870 5.1870 5.1879 5.1879 7.4199 7.4199 7.4411 7.4411 7.8027 7.8027 7.8050 7.8050 k = 0.5000 0.0573-0.0000 ( 4678 PWs) bands (ev): -6.6659 -6.6659 -6.6658 -6.6658 -6.5286 -6.5286 -6.5285 -6.5285 -2.5659 -2.5659 -2.5656 -2.5656 -1.8472 -1.8472 -1.8471 -1.8471 2.2357 2.2357 2.2363 2.2363 2.9226 2.9226 2.9397 2.9397 3.1469 3.1469 3.1588 3.1588 4.0659 4.0659 4.0835 4.0835 4.6805 4.6805 4.6922 4.6922 5.2172 5.2172 5.2201 5.2201 7.3847 7.3847 7.4101 7.4101 7.8648 7.8648 7.8676 7.8676 k = 0.5000 0.0688-0.0000 ( 4676 PWs) bands (ev): -6.6611 -6.6611 -6.6610 -6.6610 -6.5250 -6.5250 -6.5249 -6.5249 -2.5564 -2.5564 -2.5561 -2.5561 -1.8443 -1.8443 -1.8441 -1.8441 2.2199 2.2199 2.2208 2.2208 2.8688 2.8688 2.8900 2.8900 3.0899 3.0899 3.1058 3.1058 4.0626 4.0626 4.0799 4.0799 4.6282 4.6282 4.6364 4.6364 5.2458 5.2458 5.2530 5.2530 7.3530 7.3530 7.3824 7.3824 7.9363 7.9363 7.9398 7.9398 k = 0.5000 0.0802-0.0000 ( 4684 PWs) bands (ev): -6.6556 -6.6556 -6.6555 -6.6555 -6.5208 -6.5208 -6.5207 -6.5207 -2.5452 -2.5452 -2.5449 -2.5449 -1.8410 -1.8410 -1.8408 -1.8408 2.1997 2.1997 2.2009 2.2009 2.8077 2.8077 2.8322 2.8322 3.0344 3.0344 3.0536 3.0536 4.0496 4.0496 4.0651 4.0651 4.5760 4.5760 4.5793 4.5793 5.2722 5.2722 5.2837 5.2837 7.3279 7.3279 7.3609 7.3609 8.0172 8.0172 8.0216 8.0216 k = 0.5000 0.0917-0.0000 ( 4692 PWs) bands (ev): -6.6493 -6.6493 -6.6491 -6.6491 -6.5160 -6.5160 -6.5159 -6.5159 -2.5325 -2.5325 -2.5321 -2.5321 -1.8372 -1.8372 -1.8370 -1.8370 2.1744 2.1744 2.1760 2.1760 2.7419 2.7419 2.7687 2.7687 2.9809 2.9809 3.0023 3.0023 4.0264 4.0264 4.0388 4.0388 4.5225 4.5225 4.5250 4.5250 5.2947 5.2947 5.3105 5.3105 7.3119 7.3119 7.3482 7.3482 8.1071 8.1071 8.1125 8.1125 k = 0.5000 0.1032-0.0000 ( 4678 PWs) bands (ev): -6.6423 -6.6423 -6.6421 -6.6421 -6.5107 -6.5107 -6.5106 -6.5106 -2.5181 -2.5181 -2.5177 -2.5177 -1.8332 -1.8332 -1.8329 -1.8329 2.1433 2.1433 2.1454 2.1454 2.6742 2.6742 2.7024 2.7024 2.9287 2.9287 2.9516 2.9516 3.9932 3.9932 4.0019 4.0019 4.4668 4.4668 4.4755 4.4755 5.3118 5.3118 5.3315 5.3315 7.3073 7.3073 7.3465 7.3465 8.2057 8.2057 8.2121 8.2121 k = 0.5000 0.1146-0.0000 ( 4678 PWs) bands (ev): -6.6345 -6.6345 -6.6343 -6.6343 -6.5049 -6.5049 -6.5048 -6.5048 -2.5023 -2.5023 -2.5018 -2.5018 -1.8288 -1.8288 -1.8286 -1.8286 2.1058 2.1058 2.1083 2.1083 2.6070 2.6070 2.6361 2.6361 2.8772 2.8772 2.9009 2.9009 3.9516 3.9516 3.9562 3.9562 4.4125 4.4125 4.4274 4.4274 5.3223 5.3223 5.3454 5.3454 7.3156 7.3156 7.3574 7.3574 8.3122 8.3122 8.3196 8.3196 k = 0.5000 0.1261-0.0000 ( 4690 PWs) bands (ev): -6.6261 -6.6261 -6.6259 -6.6259 -6.4986 -6.4986 -6.4985 -6.4985 -2.4849 -2.4849 -2.4844 -2.4844 -1.8243 -1.8243 -1.8239 -1.8239 2.0615 2.0615 2.0644 2.0644 2.5421 2.5421 2.5717 2.5717 2.8258 2.8258 2.8498 2.8498 3.9034 3.9034 3.9043 3.9043 4.3593 4.3593 4.3798 4.3798 5.3255 5.3255 5.3514 5.3514 7.3376 7.3376 7.3815 7.3815 8.4257 8.4257 8.4343 8.4343 k = 0.5000 0.1375-0.0000 ( 4694 PWs) bands (ev): -6.6171 -6.6171 -6.6168 -6.6168 -6.4919 -6.4919 -6.4918 -6.4918 -2.4662 -2.4662 -2.4656 -2.4656 -1.8195 -1.8195 -1.8192 -1.8192 2.0107 2.0107 2.0138 2.0138 2.4807 2.4807 2.5104 2.5104 2.7739 2.7739 2.7979 2.7979 3.8487 3.8487 3.8509 3.8509 4.3070 4.3070 4.3321 4.3321 5.3212 5.3212 5.3492 5.3492 7.3732 7.3732 7.4187 7.4187 8.5453 8.5453 8.5551 8.5551 k = 0.5000 0.1490-0.0000 ( 4704 PWs) bands (ev): -6.6075 -6.6075 -6.6072 -6.6072 -6.4848 -6.4848 -6.4847 -6.4847 -2.4461 -2.4461 -2.4455 -2.4455 -1.8147 -1.8147 -1.8143 -1.8143 1.9539 1.9539 1.9569 1.9569 2.4233 2.4233 2.4525 2.4525 2.7213 2.7213 2.7448 2.7448 3.7916 3.7916 3.7962 3.7962 4.2549 4.2549 4.2839 4.2839 5.3097 5.3097 5.3394 5.3394 7.4215 7.4215 7.4682 7.4682 8.6699 8.6699 8.6812 8.6812 k = 0.5000 0.1605-0.0000 ( 4708 PWs) bands (ev): -6.5973 -6.5973 -6.5971 -6.5971 -6.4775 -6.4775 -6.4773 -6.4773 -2.4249 -2.4249 -2.4242 -2.4242 -1.8099 -1.8099 -1.8094 -1.8094 1.8922 1.8922 1.8950 1.8950 2.3696 2.3696 2.3979 2.3979 2.6676 2.6676 2.6903 2.6903 3.7348 3.7348 3.7411 3.7411 4.2031 4.2031 4.2349 4.2349 5.2920 5.2920 5.3226 5.3226 7.4811 7.4811 7.5287 7.5287 8.7984 8.7984 8.8112 8.8112 k = 0.5000 0.1719-0.0000 ( 4704 PWs) bands (ev): -6.5868 -6.5868 -6.5865 -6.5865 -6.4698 -6.4698 -6.4697 -6.4697 -2.4024 -2.4024 -2.4017 -2.4017 -1.8051 -1.8051 -1.8046 -1.8046 1.8269 1.8269 1.8294 1.8294 2.3191 2.3191 2.3463 2.3463 2.6126 2.6126 2.6341 2.6341 3.6797 3.6797 3.6869 3.6869 4.1517 4.1517 4.1855 4.1855 5.2688 5.2688 5.2999 5.2999 7.5504 7.5504 7.5984 7.5984 8.9293 8.9293 8.9441 8.9441 k = 0.5000 0.1834-0.0000 ( 4700 PWs) bands (ev): -6.5758 -6.5758 -6.5755 -6.5755 -6.4620 -6.4620 -6.4618 -6.4618 -2.3789 -2.3789 -2.3782 -2.3782 -1.8004 -1.8004 -1.7999 -1.7999 1.7593 1.7593 1.7614 1.7614 2.2712 2.2712 2.2970 2.2970 2.5564 2.5564 2.5763 2.5763 3.6268 3.6268 3.6342 3.6342 4.1013 4.1013 4.1362 4.1362 5.2413 5.2413 5.2725 5.2725 7.6275 7.6275 7.6758 7.6758 9.0610 9.0610 9.0783 9.0783 k = 0.5000 0.1948-0.0000 ( 4704 PWs) bands (ev): -6.5645 -6.5645 -6.5642 -6.5642 -6.4540 -6.4540 -6.4538 -6.4538 -2.3545 -2.3545 -2.3537 -2.3537 -1.7959 -1.7959 -1.7953 -1.7953 1.6907 1.6907 1.6924 1.6924 2.2254 2.2254 2.2493 2.2493 2.4991 2.4991 2.5169 2.5169 3.5763 3.5763 3.5832 3.5832 4.0527 4.0527 4.0881 4.0881 5.2104 5.2104 5.2413 5.2413 7.7107 7.7107 7.7590 7.7590 9.1916 9.1916 9.2120 9.2120 k = 0.5000 0.2063-0.0000 ( 4696 PWs) bands (ev): -6.5530 -6.5530 -6.5526 -6.5526 -6.4459 -6.4459 -6.4457 -6.4457 -2.3293 -2.3293 -2.3284 -2.3284 -1.7916 -1.7916 -1.7910 -1.7910 1.6221 1.6221 1.6235 1.6235 2.1809 2.1809 2.2027 2.2027 2.4414 2.4414 2.4566 2.4566 3.5276 3.5276 3.5334 3.5334 4.0071 4.0071 4.0423 4.0423 5.1769 5.1769 5.2074 5.2074 7.7983 7.7983 7.8465 7.8465 9.3184 9.3184 9.3430 9.3430 k = 0.5000 0.2178-0.0000 ( 4698 PWs) bands (ev): -6.5412 -6.5412 -6.5409 -6.5409 -6.4378 -6.4378 -6.4376 -6.4376 -2.3034 -2.3034 -2.3025 -2.3025 -1.7876 -1.7876 -1.7870 -1.7870 1.5546 1.5546 1.5556 1.5556 2.1372 2.1372 2.1565 2.1565 2.3841 2.3841 2.3963 2.3963 3.4798 3.4798 3.4841 3.4841 3.9659 3.9659 4.0001 4.0001 5.1416 5.1416 5.1713 5.1713 7.8889 7.8889 7.9368 7.9368 9.4380 9.4380 9.4678 9.4678 k = 0.5000 0.2292-0.0000 ( 4698 PWs) bands (ev): -6.5294 -6.5294 -6.5290 -6.5290 -6.4297 -6.4297 -6.4295 -6.4295 -2.2770 -2.2770 -2.2761 -2.2761 -1.7840 -1.7840 -1.7834 -1.7834 1.4887 1.4887 1.4895 1.4895 2.0934 2.0934 2.1096 2.1096 2.3288 2.3288 2.3374 2.3374 3.4318 3.4318 3.4341 3.4341 3.9302 3.9302 3.9630 3.9630 5.1049 5.1049 5.1338 5.1338 7.9812 7.9812 8.0287 8.0287 9.5457 9.5457 9.5818 9.5818 k = 0.5000 0.2407-0.0000 ( 4702 PWs) bands (ev): -6.5175 -6.5175 -6.5171 -6.5171 -6.4218 -6.4218 -6.4216 -6.4216 -2.2502 -2.2502 -2.2493 -2.2493 -1.7808 -1.7808 -1.7802 -1.7802 1.4251 1.4251 1.4257 1.4257 2.0485 2.0485 2.0612 2.0612 2.2771 2.2771 2.2815 2.2815 3.3825 3.3825 3.3826 3.3826 3.9011 3.9011 3.9320 3.9320 5.0672 5.0672 5.0953 5.0953 8.0741 8.0741 8.1210 8.1210 9.6359 9.6359 9.6785 9.6785 k = 0.5000 0.2521-0.0000 ( 4714 PWs) bands (ev): -6.5057 -6.5057 -6.5053 -6.5053 -6.4140 -6.4140 -6.4138 -6.4138 -2.2232 -2.2232 -2.2223 -2.2223 -1.7781 -1.7781 -1.7774 -1.7774 1.3643 1.3643 1.3647 1.3647 2.0013 2.0013 2.0102 2.0102 2.2307 2.2307 2.2307 2.2307 3.3288 3.3288 3.3313 3.3313 3.8793 3.8793 3.9080 3.9080 5.0290 5.0290 5.0561 5.0561 8.1667 8.1667 8.2130 8.2130 9.7033 9.7033 9.7510 9.7510 k = 0.5000 0.2636-0.0000 ( 4710 PWs) bands (ev): -6.4940 -6.4940 -6.4935 -6.4935 -6.4065 -6.4065 -6.4063 -6.4063 -2.1963 -2.1963 -2.1954 -2.1954 -1.7758 -1.7758 -1.7751 -1.7751 1.3068 1.3068 1.3070 1.3070 1.9511 1.9511 1.9563 1.9563 2.1867 2.1867 2.1908 2.1908 3.2728 3.2728 3.2776 3.2776 3.8647 3.8647 3.8913 3.8913 4.9905 4.9905 5.0165 5.0165 8.2583 8.2583 8.3037 8.3037 9.7457 9.7457 9.7950 9.7950 k = 0.5000 0.2751-0.0000 ( 4714 PWs) bands (ev): -6.4824 -6.4824 -6.4820 -6.4820 -6.3993 -6.3993 -6.3990 -6.3990 -2.1696 -2.1696 -2.1686 -2.1686 -1.7740 -1.7740 -1.7732 -1.7732 1.2527 1.2527 1.2529 1.2529 1.8977 1.8977 1.8999 1.8999 2.1503 2.1503 2.1579 2.1579 3.2147 3.2147 3.2216 3.2216 3.8571 3.8571 3.8815 3.8815 4.9518 4.9518 4.9768 4.9768 8.3482 8.3482 8.3927 8.3927 9.7650 9.7650 9.8126 9.8126 k = 0.5000 0.2865-0.0000 ( 4718 PWs) bands (ev): -6.4712 -6.4712 -6.4708 -6.4708 -6.3925 -6.3925 -6.3922 -6.3922 -2.1433 -2.1433 -2.1423 -2.1423 -1.7727 -1.7727 -1.7719 -1.7719 1.2025 1.2025 1.2025 1.2025 1.8419 1.8419 1.8420 1.8420 2.1216 2.1216 2.1318 2.1318 3.1552 3.1552 3.1639 3.1639 3.8558 3.8558 3.8781 3.8781 4.9134 4.9134 4.9373 4.9373 8.4360 8.4360 8.4794 8.4794 9.7666 9.7666 9.8106 9.8106 k = 0.5000 0.2980-0.0000 ( 4718 PWs) bands (ev): -6.4604 -6.4604 -6.4600 -6.4600 -6.3861 -6.3861 -6.3858 -6.3858 -2.1176 -2.1176 -2.1166 -2.1166 -1.7719 -1.7719 -1.7711 -1.7711 1.1562 1.1562 1.1562 1.1562 1.7837 1.7837 1.7851 1.7851 2.0999 2.0999 2.1119 2.1119 3.0951 3.0951 3.1052 3.1052 3.8598 3.8598 3.8804 3.8804 4.8752 4.8752 4.8980 4.8980 8.5212 8.5212 8.5634 8.5634 9.7555 9.7555 9.7956 9.7956 k = 0.5000 0.3095-0.0000 ( 4726 PWs) bands (ev): -6.4500 -6.4500 -6.4496 -6.4496 -6.3802 -6.3802 -6.3799 -6.3799 -2.0928 -2.0928 -2.0919 -2.0919 -1.7715 -1.7715 -1.7707 -1.7707 1.1140 1.1140 1.1141 1.1141 1.7264 1.7264 1.7286 1.7286 2.0846 2.0846 2.0976 2.0976 3.0352 3.0352 3.0463 3.0463 3.8683 3.8683 3.8873 3.8873 4.8377 4.8377 4.8593 4.8593 8.6035 8.6035 8.6445 8.6445 9.7361 9.7361 9.7726 9.7726 k = 0.5000 0.3209-0.0000 ( 4730 PWs) bands (ev): -6.4402 -6.4402 -6.4398 -6.4398 -6.3748 -6.3748 -6.3745 -6.3745 -2.0692 -2.0692 -2.0682 -2.0682 -1.7716 -1.7716 -1.7708 -1.7708 1.0762 1.0762 1.0763 1.0763 1.6712 1.6712 1.6737 1.6737 2.0747 2.0747 2.0881 2.0881 2.9763 2.9763 2.9880 2.9880 3.8805 3.8805 3.8980 3.8980 4.8012 4.8012 4.8215 4.8215 8.6827 8.6827 8.7222 8.7222 9.7110 9.7110 9.7444 9.7444 k = 0.5000 0.3324-0.0000 ( 4726 PWs) bands (ev): -6.4310 -6.4310 -6.4306 -6.4306 -6.3700 -6.3700 -6.3697 -6.3697 -2.0469 -2.0469 -2.0460 -2.0460 -1.7721 -1.7721 -1.7713 -1.7713 1.0426 1.0426 1.0427 1.0427 1.6190 1.6190 1.6216 1.6216 2.0696 2.0696 2.0831 2.0831 2.9194 2.9194 2.9313 2.9313 3.8954 3.8954 3.9115 3.9115 4.7659 4.7659 4.7848 4.7848 8.7585 8.7585 8.7964 8.7964 9.6820 9.6820 9.7130 9.7130 k = 0.5000 0.3438-0.0000 ( 4722 PWs) bands (ev): -6.4225 -6.4225 -6.4221 -6.4221 -6.3658 -6.3658 -6.3655 -6.3655 -2.0263 -2.0263 -2.0254 -2.0254 -1.7729 -1.7729 -1.7722 -1.7722 1.0134 1.0134 1.0136 1.0136 1.5707 1.5707 1.5732 1.5732 2.0686 2.0686 2.0817 2.0817 2.8653 2.8653 2.8772 2.8772 3.9121 3.9121 3.9269 3.9269 4.7323 4.7323 4.7498 4.7498 8.8307 8.8307 8.8669 8.8669 9.6505 9.6505 9.6794 9.6794 k = 0.5000 0.3553-0.0000 ( 4708 PWs) bands (ev): -6.4149 -6.4149 -6.4145 -6.4145 -6.3623 -6.3623 -6.3620 -6.3620 -2.0075 -2.0075 -2.0067 -2.0067 -1.7740 -1.7740 -1.7733 -1.7733 0.9885 0.9885 0.9887 0.9887 1.5270 1.5270 1.5294 1.5294 2.0710 2.0710 2.0834 2.0834 2.8150 2.8150 2.8264 2.8264 3.9299 3.9299 3.9432 3.9432 4.7010 4.7010 4.7168 4.7168 8.8990 8.8990 8.9332 8.9332 9.6172 9.6172 9.6443 9.6443 k = 0.5000 0.3668-0.0000 ( 4712 PWs) bands (ev): -6.4081 -6.4081 -6.4078 -6.4078 -6.3593 -6.3593 -6.3591 -6.3591 -1.9910 -1.9910 -1.9902 -1.9902 -1.7753 -1.7753 -1.7747 -1.7747 0.9678 0.9678 0.9680 0.9680 1.4888 1.4888 1.4908 1.4908 2.0760 2.0760 2.0873 2.0873 2.7695 2.7695 2.7801 2.7801 3.9477 3.9477 3.9594 3.9594 4.6727 4.6727 4.6865 4.6865 8.9629 8.9629 8.9948 8.9948 9.5831 9.5831 9.6085 9.6085 k = 0.5000 0.3782-0.0000 ( 4712 PWs) bands (ev): -6.4024 -6.4024 -6.4021 -6.4021 -6.3570 -6.3570 -6.3568 -6.3568 -1.9768 -1.9768 -1.9762 -1.9762 -1.7766 -1.7766 -1.7761 -1.7761 0.9512 0.9512 0.9514 0.9514 1.4565 1.4565 1.4582 1.4582 2.0827 2.0827 2.0926 2.0926 2.7300 2.7300 2.7394 2.7394 3.9646 3.9646 3.9745 3.9745 4.6480 4.6480 4.6596 4.6596 9.0218 9.0218 9.0508 9.0508 9.5493 9.5493 9.5728 9.5728 k = 0.5000 0.3897-0.0000 ( 4720 PWs) bands (ev): -6.3978 -6.3978 -6.3976 -6.3976 -6.3553 -6.3553 -6.3551 -6.3551 -1.9655 -1.9655 -1.9650 -1.9650 -1.7778 -1.7778 -1.7774 -1.7774 0.9386 0.9386 0.9387 0.9387 1.4308 1.4308 1.4321 1.4321 2.0901 2.0901 2.0981 2.0981 2.6977 2.6977 2.7053 2.7053 3.9796 3.9796 3.9874 3.9874 4.6278 4.6278 4.6370 4.6370 9.0746 9.0746 9.0997 9.0997 9.5175 9.5175 9.5382 9.5382 k = 0.5000 0.4011-0.0000 ( 4708 PWs) bands (ev): -6.3944 -6.3944 -6.3942 -6.3942 -6.3541 -6.3541 -6.3539 -6.3539 -1.9571 -1.9571 -1.9567 -1.9567 -1.7788 -1.7788 -1.7785 -1.7785 0.9297 0.9297 0.9297 0.9297 1.4121 1.4121 1.4130 1.4130 2.0970 2.0970 2.1027 2.1027 2.6738 2.6738 2.6793 2.6793 3.9917 3.9917 3.9971 3.9971 4.6131 4.6131 4.6195 4.6195 9.1191 9.1191 9.1386 9.1386 9.4905 9.4905 9.5069 9.5069 k = 0.5000 0.4126-0.0000 ( 4712 PWs) bands (ev): -6.3923 -6.3923 -6.3922 -6.3922 -6.3533 -6.3533 -6.3533 -6.3533 -1.9519 -1.9519 -1.9517 -1.9517 -1.7795 -1.7795 -1.7793 -1.7793 0.9244 0.9244 0.9244 0.9244 1.4009 1.4009 1.4013 1.4013 2.1024 2.1024 2.1053 2.1053 2.6596 2.6596 2.6624 2.6624 4.0000 4.0000 4.0028 4.0028 4.6046 4.6046 4.6079 4.6079 9.1519 9.1519 9.1629 9.1629 9.4730 9.4730 9.4825 9.4825 k = 0.5000 0.4241-0.0000 ( 4708 PWs) bands (ev): -6.3915 -6.3915 -6.3915 -6.3915 -6.3531 -6.3531 -6.3531 -6.3531 -1.9501 -1.9501 -1.9501 -1.9501 -1.7796 -1.7796 -1.7796 -1.7796 0.9227 0.9227 0.9227 0.9227 1.3972 1.3972 1.3972 1.3972 2.1053 2.1053 2.1053 2.1053 2.6557 2.6557 2.6557 2.6557 4.0038 4.0038 4.0038 4.0038 4.6028 4.6028 4.6028 4.6028 9.1678 9.1678 9.1678 9.1678 9.4699 9.4699 9.4699 9.4699 k = 0.5000 0.4241-0.0000 ( 4708 PWs) bands (ev): -6.3915 -6.3915 -6.3915 -6.3915 -6.3531 -6.3531 -6.3531 -6.3531 -1.9501 -1.9501 -1.9501 -1.9501 -1.7796 -1.7796 -1.7796 -1.7796 0.9227 0.9227 0.9227 0.9227 1.3972 1.3972 1.3972 1.3972 2.1053 2.1053 2.1053 2.1053 2.6557 2.6557 2.6557 2.6557 4.0038 4.0038 4.0038 4.0038 4.6028 4.6028 4.6028 4.6028 9.1678 9.1678 9.1678 9.1678 9.4699 9.4699 9.4699 9.4699 k = 0.4886 0.4241-0.0000 ( 4712 PWs) bands (ev): -6.3982 -6.3982 -6.3958 -6.3958 -6.3516 -6.3516 -6.3491 -6.3491 -1.9544 -1.9544 -1.9528 -1.9528 -1.7741 -1.7741 -1.7729 -1.7729 0.9156 0.9156 0.9162 0.9162 1.4073 1.4073 1.4081 1.4081 2.0960 2.0960 2.0995 2.0995 2.6652 2.6652 2.6671 2.6671 3.9977 3.9977 4.0036 4.0036 4.6049 4.6049 4.6100 4.6100 9.1431 9.1431 9.1588 9.1588 9.4805 9.4805 9.4943 9.4943 k = 0.4773 0.4241-0.0000 ( 4712 PWs) bands (ev): -6.4120 -6.4120 -6.4086 -6.4086 -6.3470 -6.3470 -6.3433 -6.3433 -1.9644 -1.9644 -1.9616 -1.9616 -1.7575 -1.7575 -1.7554 -1.7554 0.8971 0.8971 0.8981 0.8981 1.4363 1.4363 1.4375 1.4375 2.0739 2.0739 2.0806 2.0806 2.6938 2.6938 2.6973 2.6973 3.9859 3.9859 3.9975 3.9975 4.6159 4.6159 4.6259 4.6259 9.0960 9.0960 9.1212 9.1212 9.5209 9.5209 9.5425 9.5425 k = 0.4659 0.4241-0.0000 ( 4716 PWs) bands (ev): -6.4301 -6.4301 -6.4263 -6.4263 -6.3428 -6.3428 -6.3387 -6.3387 -1.9774 -1.9774 -1.9737 -1.9737 -1.7325 -1.7325 -1.7300 -1.7300 0.8715 0.8715 0.8726 0.8726 1.4795 1.4795 1.4806 1.4806 2.0434 2.0434 2.0532 2.0532 2.7373 2.7373 2.7418 2.7418 3.9699 3.9699 3.9865 3.9865 4.6350 4.6350 4.6492 4.6492 9.0382 9.0382 9.0685 9.0685 9.5777 9.5777 9.6026 9.6026 k = 0.4545 0.4241-0.0000 ( 4716 PWs) bands (ev): -6.4512 -6.4512 -6.4473 -6.4473 -6.3404 -6.3404 -6.3362 -6.3362 -1.9915 -1.9915 -1.9872 -1.9872 -1.7017 -1.7017 -1.6990 -1.6990 0.8431 0.8431 0.8442 0.8442 1.5317 1.5317 1.5318 1.5318 2.0099 2.0099 2.0231 2.0231 2.7910 2.7910 2.7962 2.7962 3.9516 3.9516 3.9726 3.9726 4.6609 4.6609 4.6786 4.6786 8.9757 8.9757 9.0092 9.0092 9.6423 9.6423 9.6684 9.6684 k = 0.4432 0.4241-0.0000 ( 4720 PWs) bands (ev): -6.4748 -6.4748 -6.4710 -6.4710 -6.3405 -6.3405 -6.3362 -6.3362 -2.0055 -2.0055 -2.0008 -2.0008 -1.6667 -1.6667 -1.6640 -1.6640 0.8152 0.8152 0.8161 0.8161 1.5853 1.5853 1.5873 1.5873 1.9786 1.9786 1.9962 1.9962 2.8509 2.8509 2.8565 2.8565 3.9329 3.9329 3.9578 3.9578 4.6920 4.6920 4.7128 4.7128 8.9115 8.9115 8.9471 8.9471 9.7104 9.7104 9.7367 9.7367 k = 0.4318 0.4241-0.0000 ( 4716 PWs) bands (ev): -6.5007 -6.5007 -6.4968 -6.4968 -6.3431 -6.3431 -6.3387 -6.3387 -2.0189 -2.0189 -2.0140 -2.0140 -1.6286 -1.6286 -1.6260 -1.6260 0.7901 0.7901 0.7907 0.7907 1.6341 1.6341 1.6398 1.6398 1.9563 1.9563 1.9794 1.9794 2.9140 2.9140 2.9199 2.9199 3.9161 3.9161 3.9444 3.9444 4.7272 4.7272 4.7504 4.7504 8.8470 8.8470 8.8843 8.8843 9.7798 9.7798 9.8059 9.8059 k = 0.4205 0.4241-0.0000 ( 4710 PWs) bands (ev): -6.5284 -6.5284 -6.5247 -6.5247 -6.3482 -6.3482 -6.3439 -6.3439 -2.0318 -2.0318 -2.0266 -2.0266 -1.5883 -1.5883 -1.5858 -1.5858 0.7694 0.7694 0.7697 0.7697 1.6696 1.6696 1.6797 1.6797 1.9522 1.9522 1.9816 1.9816 2.9776 2.9776 2.9839 2.9839 3.9033 3.9033 3.9346 3.9346 4.7652 4.7652 4.7906 4.7906 8.7829 8.7829 8.8216 8.8216 9.8492 9.8492 9.8747 9.8747 k = 0.4091 0.4241-0.0000 ( 4698 PWs) bands (ev): -6.5579 -6.5579 -6.5543 -6.5543 -6.3558 -6.3558 -6.3515 -6.3515 -2.0441 -2.0441 -2.0386 -2.0386 -1.5465 -1.5465 -1.5441 -1.5441 0.7543 0.7543 0.7543 0.7543 1.6854 1.6854 1.6981 1.6981 1.9749 1.9749 2.0088 2.0088 3.0393 3.0393 3.0463 3.0463 3.8970 3.8970 3.9309 3.9309 4.8052 4.8052 4.8325 4.8325 8.7196 8.7196 8.7598 8.7598 9.9173 9.9173 9.9421 9.9421 k = 0.3977 0.4241-0.0000 ( 4686 PWs) bands (ev): -6.5889 -6.5889 -6.5853 -6.5853 -6.3658 -6.3658 -6.3615 -6.3615 -2.0560 -2.0560 -2.0504 -2.0504 -1.5039 -1.5039 -1.5016 -1.5016 0.7453 0.7453 0.7458 0.7458 1.6841 1.6841 1.6966 1.6966 2.0223 2.0223 2.0582 2.0582 3.0972 3.0972 3.1053 3.1053 3.8996 3.8996 3.9356 3.9356 4.8466 4.8466 4.8757 4.8757 8.6576 8.6576 8.6990 8.6990 9.9831 9.9831 10.0071 10.0071 k = 0.3864 0.4241-0.0000 ( 4690 PWs) bands (ev): -6.6211 -6.6211 -6.6176 -6.6176 -6.3780 -6.3780 -6.3737 -6.3737 -2.0678 -2.0678 -2.0621 -2.0621 -1.4609 -1.4609 -1.4588 -1.4588 0.7435 0.7435 0.7443 0.7443 1.6738 1.6738 1.6851 1.6851 2.0843 2.0843 2.1212 2.1212 3.1496 3.1496 3.1595 3.1595 3.9131 3.9131 3.9506 3.9506 4.8889 4.8889 4.9196 4.9196 8.5970 8.5970 8.6397 8.6397 10.0454 10.0454 10.0685 10.0685 k = 0.3750 0.4241-0.0000 ( 4690 PWs) bands (ev): -6.6544 -6.6544 -6.6511 -6.6511 -6.3923 -6.3923 -6.3880 -6.3880 -2.0798 -2.0798 -2.0741 -2.0741 -1.4183 -1.4183 -1.4163 -1.4163 0.7494 0.7494 0.7506 0.7506 1.6610 1.6610 1.6711 1.6711 2.1524 2.1524 2.1905 2.1905 3.1957 3.1957 3.2083 3.2083 3.9391 3.9391 3.9775 3.9775 4.9316 4.9316 4.9641 4.9641 8.5379 8.5379 8.5821 8.5821 10.1028 10.1028 10.1250 10.1250 k = 0.3636 0.4241-0.0000 ( 4702 PWs) bands (ev): -6.6886 -6.6886 -6.6853 -6.6853 -6.4084 -6.4084 -6.4043 -6.4043 -2.0923 -2.0923 -2.0864 -2.0864 -1.3766 -1.3766 -1.3747 -1.3747 0.7633 0.7633 0.7648 0.7648 1.6498 1.6498 1.6590 1.6590 2.2213 2.2213 2.2612 2.2612 3.2360 3.2360 3.2521 3.2521 3.9782 3.9782 4.0167 4.0167 4.9747 4.9747 5.0088 5.0088 8.4807 8.4807 8.5261 8.5261 10.1540 10.1540 10.1751 10.1751 k = 0.3523 0.4241-0.0000 ( 4698 PWs) bands (ev): -6.7234 -6.7234 -6.7203 -6.7203 -6.4263 -6.4263 -6.4222 -6.4222 -2.1054 -2.1054 -2.0995 -2.0995 -1.3363 -1.3363 -1.3345 -1.3345 0.7854 0.7854 0.7873 0.7873 1.6422 1.6422 1.6510 1.6510 2.2877 2.2877 2.3297 2.3297 3.2726 3.2726 3.2927 3.2927 4.0296 4.0296 4.0677 4.0677 5.0179 5.0179 5.0536 5.0536 8.4253 8.4253 8.4721 8.4721 10.1970 10.1970 10.2171 10.2171 k = 0.3409 0.4241-0.0000 ( 4698 PWs) bands (ev): -6.7587 -6.7587 -6.7557 -6.7557 -6.4457 -6.4457 -6.4417 -6.4417 -2.1193 -2.1193 -2.1135 -2.1135 -1.2979 -1.2979 -1.2963 -1.2963 0.8159 0.8159 0.8181 0.8181 1.6399 1.6399 1.6484 1.6484 2.3489 2.3489 2.3932 2.3932 3.3084 3.3084 3.3328 3.3328 4.0917 4.0917 4.1290 4.1290 5.0612 5.0612 5.0986 5.0986 8.3719 8.3719 8.4202 8.4202 10.2299 10.2299 10.2488 10.2488 k = 0.3295 0.4241-0.0000 ( 4690 PWs) bands (ev): -6.7943 -6.7943 -6.7914 -6.7914 -6.4663 -6.4663 -6.4625 -6.4625 -2.1343 -2.1343 -2.1285 -2.1285 -1.2620 -1.2620 -1.2605 -1.2605 0.8548 0.8548 0.8572 0.8572 1.6436 1.6436 1.6522 1.6522 2.4029 2.4029 2.4492 2.4492 3.3468 3.3468 3.3751 3.3751 4.1624 4.1624 4.1988 4.1988 5.1045 5.1045 5.1436 5.1436 8.3206 8.3206 8.3704 8.3704 10.2509 10.2509 10.2684 10.2684 k = 0.3182 0.4241-0.0000 ( 4690 PWs) bands (ev): -6.8301 -6.8301 -6.8272 -6.8272 -6.4881 -6.4881 -6.4844 -6.4844 -2.1503 -2.1503 -2.1446 -2.1446 -1.2289 -1.2289 -1.2274 -1.2274 0.9019 0.9019 0.9045 0.9045 1.6540 1.6540 1.6628 1.6628 2.4483 2.4483 2.4962 2.4962 3.3908 3.3908 3.4224 3.4224 4.2396 4.2396 4.2752 4.2752 5.1481 5.1481 5.1888 5.1888 8.2715 8.2715 8.3228 8.3228 10.2581 10.2581 10.2740 10.2740 k = 0.3068 0.4241-0.0000 ( 4700 PWs) bands (ev): -6.8657 -6.8657 -6.8630 -6.8630 -6.5108 -6.5108 -6.5072 -6.5072 -2.1674 -2.1674 -2.1618 -2.1618 -1.1990 -1.1990 -1.1975 -1.1975 0.9569 0.9569 0.9596 0.9596 1.6714 1.6714 1.6806 1.6806 2.4843 2.4843 2.5331 2.5331 3.4422 3.4422 3.4762 3.4762 4.3217 4.3217 4.3564 4.3564 5.1919 5.1919 5.2343 5.2343 8.2249 8.2249 8.2777 8.2777 10.2502 10.2502 10.2642 10.2642 k = 0.2955 0.4241-0.0000 ( 4700 PWs) bands (ev): -6.9012 -6.9012 -6.8986 -6.8986 -6.5343 -6.5343 -6.5307 -6.5307 -2.1856 -2.1856 -2.1800 -2.1800 -1.1724 -1.1724 -1.1710 -1.1710 1.0195 1.0195 1.0224 1.0224 1.6960 1.6960 1.7058 1.7058 2.5112 2.5112 2.5603 2.5603 3.5019 3.5019 3.5372 3.5372 4.4071 4.4071 4.4410 4.4410 5.2362 5.2362 5.2802 5.2802 8.1807 8.1807 8.2352 8.2352 10.2261 10.2261 10.2381 10.2381 k = 0.2841 0.4241-0.0000 ( 4696 PWs) bands (ev): -6.9364 -6.9364 -6.9339 -6.9339 -6.5582 -6.5582 -6.5548 -6.5548 -2.2048 -2.2048 -2.1993 -2.1993 -1.1494 -1.1494 -1.1479 -1.1479 1.0892 1.0892 1.0922 1.0922 1.7277 1.7277 1.7382 1.7382 2.5302 2.5302 2.5790 2.5790 3.5691 3.5691 3.6050 3.6050 4.4947 4.4947 4.5277 4.5277 5.2810 5.2810 5.3265 5.3265 8.1392 8.1392 8.1954 8.1954 10.1857 10.1857 10.1954 10.1954 k = 0.2727 0.4241-0.0000 ( 4696 PWs) bands (ev): -6.9711 -6.9711 -6.9687 -6.9687 -6.5825 -6.5825 -6.5792 -6.5792 -2.2249 -2.2249 -2.2195 -2.2195 -1.1298 -1.1298 -1.1284 -1.1284 1.1655 1.1655 1.1685 1.1685 1.7664 1.7664 1.7777 1.7777 2.5429 2.5429 2.5910 2.5910 3.6424 3.6424 3.6783 3.6783 4.5836 4.5836 4.6157 4.6157 5.3266 5.3266 5.3734 5.3734 8.1006 8.1006 8.1585 8.1585 10.1292 10.1292 10.1368 10.1368 k = 0.2614 0.4241-0.0000 ( 4696 PWs) bands (ev): -7.0051 -7.0051 -7.0028 -7.0028 -6.6070 -6.6070 -6.6038 -6.6038 -2.2456 -2.2456 -2.2405 -2.2405 -1.1138 -1.1138 -1.1124 -1.1124 1.2477 1.2477 1.2506 1.2506 1.8115 1.8115 1.8239 1.8239 2.5513 2.5513 2.5986 2.5986 3.7201 3.7201 3.7555 3.7555 4.6732 4.6732 4.7042 4.7042 5.3731 5.3731 5.4208 5.4208 8.0651 8.0651 8.1247 8.1247 10.0572 10.0572 10.0629 10.0629 k = 0.2500 0.4241-0.0000 ( 4676 PWs) bands (ev): -7.0385 -7.0385 -7.0363 -7.0363 -6.6315 -6.6315 -6.6285 -6.6285 -2.2670 -2.2670 -2.2620 -2.2620 -1.1012 -1.1012 -1.0998 -1.0998 1.3350 1.3350 1.3377 1.3377 1.8625 1.8625 1.8760 1.8760 2.5576 2.5576 2.6043 2.6043 3.8002 3.8002 3.8350 3.8350 4.7631 4.7631 4.7929 4.7929 5.4203 5.4203 5.4688 5.4688 8.0329 8.0329 8.0943 8.0943 9.9707 9.9707 9.9749 9.9749 k = 0.2386 0.4241-0.0000 ( 4666 PWs) bands (ev): -7.0710 -7.0710 -7.0689 -7.0689 -6.6559 -6.6559 -6.6530 -6.6530 -2.2888 -2.2888 -2.2840 -2.2840 -1.0917 -1.0917 -1.0903 -1.0903 1.4264 1.4264 1.4287 1.4287 1.9185 1.9185 1.9331 1.9331 2.5643 2.5643 2.6105 2.6105 3.8808 3.8808 3.9149 3.9149 4.8531 4.8531 4.8815 4.8815 5.4681 5.4681 5.5170 5.5170 8.0043 8.0043 8.0674 8.0674 9.8713 9.8713 9.8743 9.8743 k = 0.2273 0.4241-0.0000 ( 4672 PWs) bands (ev): -7.1026 -7.1026 -7.1007 -7.1007 -6.6800 -6.6800 -6.6772 -6.6772 -2.3108 -2.3108 -2.3062 -2.3062 -1.0852 -1.0852 -1.0838 -1.0838 1.5206 1.5206 1.5224 1.5224 1.9785 1.9785 1.9939 1.9939 2.5740 2.5740 2.6198 2.6198 3.9604 3.9604 3.9936 3.9936 4.9432 4.9432 4.9700 4.9700 5.5162 5.5162 5.5649 5.5649 7.9796 7.9796 8.0444 8.0444 9.7605 9.7605 9.7627 9.7627 k = 0.2159 0.4241-0.0000 ( 4664 PWs) bands (ev): -7.1332 -7.1332 -7.1313 -7.1313 -6.7036 -6.7036 -6.7010 -6.7010 -2.3328 -2.3328 -2.3284 -2.3284 -1.0813 -1.0813 -1.0799 -1.0799 1.6158 1.6158 1.6169 1.6169 2.0414 2.0414 2.0573 2.0573 2.5897 2.5897 2.6350 2.6350 4.0373 4.0373 4.0697 4.0697 5.0333 5.0333 5.0585 5.0585 5.5640 5.5640 5.6122 5.6122 7.9591 7.9591 8.0255 8.0255 9.6401 9.6401 9.6418 9.6418 k = 0.2045 0.4241-0.0000 ( 4662 PWs) bands (ev): -7.1627 -7.1627 -7.1609 -7.1609 -6.7267 -6.7267 -6.7242 -6.7242 -2.3547 -2.3547 -2.3505 -2.3505 -1.0797 -1.0797 -1.0784 -1.0784 1.7095 1.7095 1.7095 1.7095 2.1067 2.1067 2.1222 2.1222 2.6146 2.6146 2.6590 2.6590 4.1104 4.1104 4.1420 4.1420 5.1236 5.1236 5.1470 5.1470 5.6106 5.6106 5.6578 5.6578 7.9432 7.9432 8.0112 8.0112 9.5120 9.5120 9.5134 9.5134 k = 0.1932 0.4241-0.0000 ( 4670 PWs) bands (ev): -7.1910 -7.1910 -7.1893 -7.1893 -6.7492 -6.7492 -6.7468 -6.7468 -2.3763 -2.3763 -2.3724 -2.3724 -1.0802 -1.0802 -1.0789 -1.0789 1.7965 1.7965 1.7981 1.7981 2.1749 2.1749 2.1888 2.1888 2.6516 2.6516 2.6945 2.6945 4.1788 4.1788 4.2093 4.2093 5.2139 5.2139 5.2357 5.2357 5.6551 5.6551 5.7010 5.7010 7.9323 7.9323 8.0016 8.0016 9.3779 9.3779 9.3793 9.3793 k = 0.1818 0.4241-0.0000 ( 4666 PWs) bands (ev): -7.2180 -7.2180 -7.2164 -7.2164 -6.7709 -6.7709 -6.7687 -6.7687 -2.3975 -2.3975 -2.3937 -2.3937 -1.0823 -1.0823 -1.0811 -1.0811 1.8732 1.8732 1.8766 1.8766 2.2482 2.2482 2.2591 2.2591 2.7028 2.7028 2.7433 2.7433 4.2418 4.2418 4.2711 4.2711 5.3040 5.3040 5.3244 5.3244 5.6965 5.6965 5.7407 5.7407 7.9266 7.9266 7.9971 7.9971 9.2400 9.2400 9.2414 9.2414 k = 0.1705 0.4241-0.0000 ( 4670 PWs) bands (ev): -7.2437 -7.2437 -7.2422 -7.2422 -6.7917 -6.7917 -6.7896 -6.7896 -2.4180 -2.4180 -2.4145 -2.4145 -1.0859 -1.0859 -1.0846 -1.0846 1.9352 1.9352 1.9402 1.9402 2.3298 2.3298 2.3371 2.3371 2.7683 2.7683 2.8057 2.8057 4.2990 4.2990 4.3269 4.3269 5.3932 5.3932 5.4125 5.4125 5.7338 5.7338 5.7762 5.7762 7.9264 7.9264 7.9979 7.9979 9.1002 9.1002 9.1018 9.1018 k = 0.1591 0.4241-0.0000 ( 4662 PWs) bands (ev): -7.2679 -7.2679 -7.2666 -7.2666 -6.8116 -6.8116 -6.8096 -6.8096 -2.4378 -2.4378 -2.4345 -2.4345 -1.0905 -1.0905 -1.0893 -1.0893 1.9805 1.9805 1.9865 1.9865 2.4216 2.4216 2.4257 2.4257 2.8466 2.8466 2.8806 2.8806 4.3502 4.3502 4.3766 4.3766 5.4802 5.4802 5.4990 5.4990 5.7664 5.7664 5.8068 5.8068 7.9319 7.9319 8.0040 8.0040 8.9605 8.9605 8.9624 8.9624 k = 0.1477 0.4241-0.0000 ( 4664 PWs) bands (ev): -7.2908 -7.2908 -7.2895 -7.2895 -6.8304 -6.8304 -6.8286 -6.8286 -2.4568 -2.4568 -2.4537 -2.4537 -1.0959 -1.0959 -1.0947 -1.0947 2.0106 2.0106 2.0168 2.0168 2.5229 2.5229 2.5246 2.5246 2.9354 2.9354 2.9661 2.9661 4.3957 4.3957 4.4204 4.4204 5.5627 5.5627 5.5814 5.5814 5.7945 5.7945 5.8331 5.8331 7.9428 7.9428 8.0153 8.0153 8.8231 8.8231 8.8253 8.8253 k = 0.1364 0.4241-0.0000 ( 4672 PWs) bands (ev): -7.3121 -7.3121 -7.3109 -7.3109 -6.8481 -6.8481 -6.8464 -6.8464 -2.4747 -2.4747 -2.4719 -2.4719 -1.1018 -1.1018 -1.1008 -1.1008 2.0290 2.0290 2.0347 2.0347 2.6312 2.6312 2.6314 2.6314 3.0320 3.0320 3.0597 3.0597 4.4356 4.4356 4.4586 4.4586 5.6362 5.6362 5.6550 5.6550 5.8209 5.8209 5.8572 5.8572 7.9587 7.9587 8.0313 8.0313 8.6904 8.6904 8.6932 8.6932 k = 0.1250 0.4241-0.0000 ( 4672 PWs) bands (ev): -7.3319 -7.3319 -7.3308 -7.3308 -6.8646 -6.8646 -6.8631 -6.8631 -2.4916 -2.4916 -2.4890 -2.4890 -1.1081 -1.1081 -1.1071 -1.1071 2.0391 2.0391 2.0440 2.0440 2.7432 2.7432 2.7439 2.7439 3.1340 3.1340 3.1593 3.1593 4.4704 4.4704 4.4915 4.4915 5.6932 5.6932 5.7099 5.7099 5.8535 5.8535 5.8850 5.8850 7.9784 7.9784 8.0507 8.0507 8.5654 8.5654 8.5687 8.5687 k = 0.1136 0.4241-0.0000 ( 4664 PWs) bands (ev): -7.3501 -7.3501 -7.3491 -7.3491 -6.8799 -6.8799 -6.8785 -6.8785 -2.5073 -2.5073 -2.5049 -2.5049 -1.1144 -1.1144 -1.1135 -1.1135 2.0436 2.0436 2.0477 2.0477 2.8572 2.8572 2.8583 2.8583 3.2395 3.2395 3.2627 3.2627 4.5005 4.5005 4.5196 4.5196 5.7244 5.7244 5.7355 5.7355 5.9006 5.9006 5.9236 5.9236 7.9994 7.9994 8.0707 8.0707 8.4528 8.4528 8.4562 8.4562 k = 0.1023 0.4241-0.0000 ( 4662 PWs) bands (ev): -7.3666 -7.3666 -7.3658 -7.3658 -6.8939 -6.8939 -6.8926 -6.8926 -2.5217 -2.5217 -2.5195 -2.5195 -1.1207 -1.1207 -1.1199 -1.1199 2.0445 2.0445 2.0478 2.0478 2.9710 2.9710 2.9723 2.9723 3.3466 3.3466 3.3679 3.3679 4.5263 4.5263 4.5434 4.5434 5.7290 5.7290 5.7356 5.7356 5.9571 5.9571 5.9725 5.9725 8.0163 8.0163 8.0840 8.0840 8.3611 8.3611 8.3625 8.3625 k = 0.0909 0.4241-0.0000 ( 4664 PWs) bands (ev): -7.3815 -7.3815 -7.3808 -7.3808 -6.9065 -6.9065 -6.9054 -6.9054 -2.5347 -2.5347 -2.5328 -2.5328 -1.1267 -1.1267 -1.1260 -1.1260 2.0431 2.0431 2.0458 2.0458 3.0826 3.0826 3.0837 3.0837 3.4534 3.4534 3.4731 3.4731 4.5483 4.5483 4.5634 4.5634 5.7142 5.7142 5.7188 5.7188 6.0128 6.0128 6.0235 6.0235 8.0187 8.0187 8.0753 8.0753 8.2992 8.2992 8.3068 8.3068 k = 0.0795 0.4241-0.0000 ( 4664 PWs) bands (ev): -7.3947 -7.3947 -7.3941 -7.3941 -6.9177 -6.9177 -6.9168 -6.9168 -2.5464 -2.5464 -2.5447 -2.5447 -1.1324 -1.1324 -1.1317 -1.1317 2.0404 2.0404 2.0426 2.0426 3.1896 3.1896 3.1906 3.1906 3.5582 3.5582 3.5763 3.5763 4.5668 4.5668 4.5799 4.5799 5.6862 5.6862 5.6907 5.6907 6.0621 6.0621 6.0701 6.0701 7.9959 7.9959 8.0352 8.0352 8.2778 8.2778 8.3004 8.3004 k = 0.0682 0.4241-0.0000 ( 4668 PWs) bands (ev): -7.4062 -7.4062 -7.4057 -7.4057 -6.9275 -6.9275 -6.9267 -6.9267 -2.5566 -2.5566 -2.5551 -2.5551 -1.1375 -1.1375 -1.1369 -1.1369 2.0372 2.0372 2.0389 2.0389 3.2898 3.2898 3.2907 3.2907 3.6589 3.6589 3.6755 3.6755 4.5822 4.5822 4.5934 4.5934 5.6496 5.6496 5.6545 5.6545 6.1024 6.1024 6.1086 6.1086 7.9543 7.9543 7.9805 7.9805 8.2924 8.2924 8.3254 8.3254 k = 0.0568 0.4241-0.0000 ( 4668 PWs) bands (ev): -7.4160 -7.4160 -7.4155 -7.4155 -6.9359 -6.9359 -6.9352 -6.9352 -2.5652 -2.5652 -2.5641 -2.5641 -1.1420 -1.1420 -1.1415 -1.1415 2.0338 2.0338 2.0351 2.0351 3.3809 3.3809 3.3816 3.3816 3.7532 3.7532 3.7680 3.7680 4.5949 4.5949 4.6041 4.6041 5.6080 5.6080 5.6134 5.6134 6.1327 6.1327 6.1377 6.1377 7.9096 7.9096 7.9280 7.9280 8.3269 8.3269 8.3641 8.3641 k = 0.0455 0.4241-0.0000 ( 4672 PWs) bands (ev): -7.4240 -7.4240 -7.4236 -7.4236 -6.9427 -6.9427 -6.9421 -6.9421 -2.5724 -2.5724 -2.5714 -2.5714 -1.1457 -1.1457 -1.1454 -1.1454 2.0307 2.0307 2.0317 2.0317 3.4604 3.4604 3.4608 3.4608 3.8384 3.8384 3.8511 3.8511 4.6051 4.6051 4.6124 4.6124 5.5652 5.5652 5.5706 5.5706 6.1536 6.1536 6.1575 6.1575 7.8709 7.8709 7.8842 7.8842 8.3706 8.3706 8.4082 8.4082 k = 0.0341 0.4241-0.0000 ( 4672 PWs) bands (ev): -7.4302 -7.4302 -7.4299 -7.4299 -6.9480 -6.9480 -6.9476 -6.9476 -2.5779 -2.5779 -2.5772 -2.5772 -1.1487 -1.1487 -1.1484 -1.1484 2.0281 2.0281 2.0288 2.0288 3.5256 3.5256 3.5259 3.5259 3.9111 3.9111 3.9214 3.9214 4.6130 4.6130 4.6184 4.6184 5.5252 5.5252 5.5302 5.5302 6.1665 6.1665 6.1694 6.1694 7.8413 7.8413 7.8508 7.8508 8.4170 8.4170 8.4521 8.4521 k = 0.0227 0.4241-0.0000 ( 4684 PWs) bands (ev): -7.4346 -7.4346 -7.4344 -7.4344 -6.9518 -6.9518 -6.9515 -6.9515 -2.5819 -2.5819 -2.5814 -2.5814 -1.1509 -1.1509 -1.1507 -1.1507 2.0261 2.0261 2.0266 2.0266 3.5742 3.5742 3.5743 3.5743 3.9677 3.9677 3.9750 3.9750 4.6188 4.6188 4.6224 4.6224 5.4925 5.4925 5.4964 5.4964 6.1736 6.1736 6.1755 6.1755 7.8213 7.8213 7.8275 7.8275 8.4609 8.4609 8.4895 8.4895 k = 0.0114 0.4241-0.0000 ( 4684 PWs) bands (ev): -7.4373 -7.4373 -7.4372 -7.4372 -6.9541 -6.9541 -6.9539 -6.9539 -2.5842 -2.5842 -2.5840 -2.5840 -1.1522 -1.1522 -1.1521 -1.1521 2.0249 2.0249 2.0251 2.0251 3.6043 3.6043 3.6043 3.6043 4.0044 4.0044 4.0082 4.0082 4.6226 4.6226 4.6244 4.6244 5.4713 5.4713 5.4734 5.4734 6.1769 6.1769 6.1779 6.1779 7.8104 7.8104 7.8135 7.8135 8.4959 8.4959 8.5127 8.5127 k = 0.0000 0.4241-0.0000 ( 4684 PWs) bands (ev): -7.4381 -7.4381 -7.4381 -7.4381 -6.9548 -6.9548 -6.9548 -6.9548 -2.5849 -2.5849 -2.5849 -2.5849 -1.1526 -1.1526 -1.1526 -1.1526 2.0246 2.0246 2.0246 2.0246 3.6144 3.6144 3.6144 3.6144 4.0183 4.0183 4.0183 4.0183 4.6244 4.6244 4.6244 4.6244 5.4646 5.4646 5.4646 5.4646 6.1782 6.1782 6.1782 6.1782 7.8079 7.8079 7.8079 7.8079 8.5150 8.5150 8.5150 8.5150 k = 0.0000 0.4241-0.0000 ( 4684 PWs) bands (ev): -7.4381 -7.4381 -7.4381 -7.4381 -6.9548 -6.9548 -6.9548 -6.9548 -2.5849 -2.5849 -2.5849 -2.5849 -1.1526 -1.1526 -1.1526 -1.1526 2.0246 2.0246 2.0246 2.0246 3.6144 3.6144 3.6144 3.6144 4.0183 4.0183 4.0183 4.0183 4.6244 4.6244 4.6244 4.6244 5.4646 5.4646 5.4646 5.4646 6.1782 6.1782 6.1782 6.1782 7.8079 7.8079 7.8079 7.8079 8.5150 8.5150 8.5150 8.5150 k = 0.0000 0.4126-0.0000 ( 4686 PWs) bands (ev): -7.4729 -7.4729 -7.4046 -7.4046 -6.9915 -6.9915 -6.9184 -6.9184 -2.6233 -2.6233 -2.5414 -2.5414 -1.1908 -1.1908 -1.1107 -1.1107 1.9531 1.9531 2.0965 2.0965 3.5857 3.5857 3.6416 3.6416 3.9895 3.9895 4.0465 4.0465 4.5889 4.5889 4.6564 4.6564 5.3727 5.3727 5.5573 5.5573 6.1301 6.1301 6.2183 6.2183 7.7455 7.7455 7.8772 7.8772 8.4969 8.4969 8.5036 8.5036 k = 0.0000 0.4011-0.0000 ( 4676 PWs) bands (ev): -7.5086 -7.5086 -7.3725 -7.3725 -7.0285 -7.0285 -6.8825 -6.8825 -2.6564 -2.6564 -2.4930 -2.4930 -1.2252 -1.2252 -1.0653 -1.0653 1.8824 1.8824 2.1687 2.1687 3.5556 3.5556 3.6670 3.6670 3.9602 3.9602 4.0739 4.0739 4.5507 4.5507 4.6834 4.6834 5.2830 5.2830 5.6498 5.6498 6.0767 6.0767 6.2477 6.2477 7.6924 7.6924 7.9515 7.9515 8.4533 8.4533 8.4689 8.4689 k = 0.0000 0.3897-0.0000 ( 4676 PWs) bands (ev): -7.5453 -7.5453 -7.3419 -7.3419 -7.0658 -7.0658 -6.8473 -6.8473 -2.6842 -2.6842 -2.4396 -2.4396 -1.2557 -1.2557 -1.0164 -1.0164 1.8126 1.8126 2.2407 2.2407 3.5241 3.5241 3.6905 3.6905 3.9304 3.9304 4.1006 4.1006 4.5104 4.5104 4.7034 4.7034 5.1973 5.1973 5.7411 5.7411 6.0204 6.0204 6.2636 6.2636 7.6507 7.6507 8.0288 8.0288 8.3924 8.3924 8.4227 8.4227 k = 0.0000 0.3782-0.0000 ( 4682 PWs) bands (ev): -7.5826 -7.5826 -7.3129 -7.3129 -7.1031 -7.1031 -6.8126 -6.8126 -2.7066 -2.7066 -2.3816 -2.3816 -1.2823 -1.2823 -0.9642 -0.9642 1.7439 1.7439 2.3123 2.3123 3.4916 3.4916 3.7120 3.7120 3.9002 3.9002 4.1264 4.1264 4.4686 4.4686 4.7130 4.7130 5.1186 5.1186 5.8303 5.8303 5.9633 5.9633 6.2637 6.2637 7.6220 7.6220 8.1074 8.1074 8.3220 8.3220 8.3735 8.3735 k = 0.0000 0.3668-0.0000 ( 4668 PWs) bands (ev): -7.6204 -7.6204 -7.2857 -7.2857 -7.1404 -7.1404 -6.7788 -6.7788 -2.7235 -2.7235 -2.3190 -2.3190 -1.3048 -1.3048 -0.9088 -0.9088 1.6764 1.6764 2.3829 2.3829 3.4582 3.4582 3.7315 3.7315 3.8697 3.8697 4.1513 4.1513 4.4254 4.4254 4.7073 4.7073 5.0513 5.0513 5.9033 5.9033 5.9204 5.9204 6.2467 6.2467 7.6069 7.6069 8.1844 8.1844 8.2474 8.2474 8.3278 8.3278 k = 0.0000 0.3553-0.0000 ( 4672 PWs) bands (ev): -7.6586 -7.6586 -7.2605 -7.2605 -7.1777 -7.1777 -6.7458 -6.7458 -2.7348 -2.7348 -2.2519 -2.2519 -1.3233 -1.3233 -0.8505 -0.8505 1.6104 1.6104 2.4522 2.4522 3.4240 3.4240 3.7489 3.7489 3.8389 3.8389 4.1751 4.1751 4.3811 4.3811 4.6814 4.6814 4.9997 4.9997 5.8537 5.8537 5.9992 5.9992 6.2125 6.2125 7.6044 7.6044 8.1707 8.1707 8.2436 8.2436 8.3054 8.3054 k = 0.0000 0.3438-0.0000 ( 4664 PWs) bands (ev): -7.6970 -7.6970 -7.2371 -7.2371 -7.2147 -7.2147 -6.7137 -6.7137 -2.7406 -2.7406 -2.1806 -2.1806 -1.3377 -1.3377 -0.7894 -0.7894 1.5459 1.5459 2.5195 2.5195 3.3893 3.3893 3.7642 3.7642 3.8080 3.8080 4.1978 4.1978 4.3360 4.3360 4.6344 4.6344 4.9637 4.9637 5.8062 5.8062 6.0747 6.0747 6.1627 6.1627 7.6123 7.6123 8.0946 8.0946 8.2335 8.2335 8.3591 8.3591 k = 0.0000 0.3324-0.0000 ( 4664 PWs) bands (ev): -7.7354 -7.7354 -7.2515 -7.2515 -7.2158 -7.2158 -6.6827 -6.6827 -2.7409 -2.7409 -2.1052 -2.1052 -1.3480 -1.3480 -0.7256 -0.7256 1.4830 1.4830 2.5840 2.5840 3.3543 3.3543 3.7767 3.7767 3.7777 3.7777 4.2192 4.2192 4.2902 4.2902 4.5719 4.5719 4.9373 4.9373 5.7655 5.7655 6.0939 6.0939 6.1481 6.1481 7.6273 7.6273 8.0199 8.0199 8.2137 8.2137 8.4325 8.4325 k = 0.0000 0.3209-0.0000 ( 4662 PWs) bands (ev): -7.7737 -7.7737 -7.2879 -7.2879 -7.1966 -7.1966 -6.6528 -6.6528 -2.7357 -2.7357 -2.0258 -2.0258 -1.3542 -1.3542 -0.6594 -0.6594 1.4220 1.4220 2.6449 2.6449 3.3190 3.3190 3.7461 3.7461 3.7885 3.7885 4.2348 4.2348 4.2479 4.2479 4.5007 4.5007 4.9133 4.9133 5.7333 5.7333 6.0188 6.0188 6.2069 6.2069 7.6461 7.6461 7.9474 7.9474 8.2062 8.2062 8.5057 8.5057 k = 0.0000 0.3095-0.0000 ( 4652 PWs) bands (ev): -7.8117 -7.8117 -7.3238 -7.3238 -7.1794 -7.1794 -6.6240 -6.6240 -2.7250 -2.7250 -1.9427 -1.9427 -1.3565 -1.3565 -0.5910 -0.5910 1.3629 1.3629 2.7012 2.7012 3.2837 3.2837 3.7153 3.7153 3.7976 3.7976 4.1945 4.1945 4.2589 4.2589 4.4264 4.4264 4.8870 4.8870 5.7103 5.7103 5.9325 5.9325 6.2564 6.2564 7.6660 7.6660 7.8787 7.8787 8.2143 8.2143 8.5761 8.5761 k = 0.0000 0.2980-0.0000 ( 4668 PWs) bands (ev): -7.8494 -7.8494 -7.3592 -7.3592 -7.1643 -7.1643 -6.5965 -6.5965 -2.7089 -2.7089 -1.8558 -1.8558 -1.3548 -1.3548 -0.5206 -0.5206 1.3058 1.3058 2.7517 2.7517 3.2486 3.2486 3.6848 3.6848 3.8046 3.8046 4.1463 4.1463 4.2728 4.2728 4.3544 4.3544 4.8565 4.8565 5.6965 5.6965 5.8387 5.8387 6.2936 6.2936 7.6835 7.6835 7.8174 7.8174 8.2384 8.2384 8.6429 8.6429 k = 0.0000 0.2865-0.0000 ( 4676 PWs) bands (ev): -7.8865 -7.8865 -7.3939 -7.3939 -7.1512 -7.1512 -6.5704 -6.5704 -2.6876 -2.6876 -1.7655 -1.7655 -1.3492 -1.3492 -0.4485 -0.4485 1.2508 1.2508 2.7952 2.7952 3.2137 3.2137 3.6546 3.6546 3.8098 3.8098 4.0971 4.0971 4.2578 4.2578 4.3115 4.3115 4.8218 4.8218 5.6899 5.6899 5.7403 5.7403 6.3170 6.3170 7.6846 7.6846 7.7795 7.7795 8.2769 8.2769 8.7053 8.7053 k = 0.0000 0.2751-0.0000 ( 4670 PWs) bands (ev): -7.9229 -7.9229 -7.4279 -7.4279 -7.1400 -7.1400 -6.5455 -6.5455 -2.6613 -2.6613 -1.6719 -1.6719 -1.3400 -1.3400 -0.3749 -0.3749 1.1981 1.1981 2.8302 2.8302 3.1792 3.1792 3.6248 3.6248 3.8132 3.8132 4.0468 4.0468 4.1945 4.1945 4.3179 4.3179 4.7846 4.7846 5.6310 5.6310 5.6975 5.6975 6.3257 6.3257 7.6484 7.6484 7.7881 7.7881 8.3270 8.3270 8.7628 8.7628 k = 0.0000 0.2636-0.0000 ( 4674 PWs) bands (ev): -7.9586 -7.9586 -7.4611 -7.4611 -7.1307 -7.1307 -6.5221 -6.5221 -2.6300 -2.6300 -1.5751 -1.5751 -1.3273 -1.3273 -0.3002 -0.3002 1.1479 1.1479 2.8554 2.8554 3.1454 3.1454 3.5955 3.5955 3.8149 3.8149 3.9952 3.9952 4.1265 4.1265 4.3304 4.3304 4.7470 4.7470 5.5245 5.5245 5.7052 5.7052 6.3201 6.3201 7.5961 7.5961 7.8239 7.8239 8.3858 8.3858 8.8147 8.8147 k = 0.0000 0.2521-0.0000 ( 4662 PWs) bands (ev): -7.9934 -7.9934 -7.4934 -7.4934 -7.1231 -7.1231 -6.5000 -6.5000 -2.5940 -2.5940 -1.4752 -1.4752 -1.3113 -1.3113 -0.2247 -0.2247 1.1003 1.1003 2.8697 2.8697 3.1122 3.1122 3.5669 3.5669 3.8149 3.8149 3.9424 3.9424 4.0601 4.0601 4.3428 4.3428 4.7119 4.7119 5.4151 5.4151 5.7187 5.7187 6.3010 6.3010 7.5426 7.5426 7.8729 7.8729 8.4507 8.4507 8.8608 8.8608 k = 0.0000 0.2407-0.0000 ( 4670 PWs) bands (ev): -8.0273 -8.0273 -7.5248 -7.5248 -7.1171 -7.1171 -6.4794 -6.4794 -2.5536 -2.5536 -1.3726 -1.3726 -1.2922 -1.2922 -0.1489 -0.1489 1.0555 1.0555 2.8722 2.8722 3.0799 3.0799 3.5389 3.5389 3.8130 3.8130 3.8882 3.8882 3.9953 3.9953 4.3543 4.3543 4.6817 4.6817 5.3046 5.3046 5.7358 5.7358 6.2702 6.2702 7.4913 7.4913 7.9314 7.9314 8.5194 8.5194 8.9006 8.9006 k = 0.0000 0.2292-0.0000 ( 4674 PWs) bands (ev): -8.0601 -8.0601 -7.5551 -7.5551 -7.1126 -7.1126 -6.4602 -6.4602 -2.5090 -2.5090 -1.2716 -1.2716 -1.2660 -1.2660 -0.0732 -0.0732 1.0137 1.0137 2.8629 2.8629 3.0485 3.0485 3.5116 3.5116 3.8063 3.8063 3.8353 3.8353 3.9315 3.9315 4.3648 4.3648 4.6588 4.6588 5.1940 5.1940 5.7554 5.7554 6.2295 6.2295 7.4435 7.4435 7.9977 7.9977 8.5902 8.5902 8.9341 8.9341 k = 0.0000 0.2178-0.0000 ( 4672 PWs) bands (ev): -8.0917 -8.0917 -7.5844 -7.5844 -7.1095 -7.1095 -6.4425 -6.4425 -2.4605 -2.4605 -1.2464 -1.2464 -1.1592 -1.1592 0.0017 0.0017 0.9755 0.9755 2.8424 2.8424 3.0182 3.0182 3.4850 3.4850 3.7663 3.7663 3.8111 3.8111 3.8682 3.8682 4.3741 4.3741 4.6448 4.6448 5.0845 5.0845 5.7765 5.7765 6.1810 6.1810 7.3996 7.3996 8.0701 8.0701 8.6615 8.6615 8.9612 8.9612 k = 0.0000 0.2063-0.0000 ( 4668 PWs) bands (ev): -8.1222 -8.1222 -7.6125 -7.6125 -7.1077 -7.1077 -6.4261 -6.4261 -2.4084 -2.4084 -1.2201 -1.2201 -1.0490 -1.0490 0.0750 0.0750 0.9412 0.9412 2.8120 2.8120 2.9890 2.9890 3.4593 3.4593 3.7056 3.7056 3.7902 3.7902 3.8168 3.8168 4.3823 4.3823 4.6403 4.6403 4.9771 4.9771 5.7984 5.7984 6.1265 6.1265 7.3600 7.3600 8.1471 8.1471 8.7322 8.7322 8.9820 8.9820 k = 0.0000 0.1948-0.0000 ( 4676 PWs) bands (ev): -8.1513 -8.1513 -7.6394 -7.6394 -7.1069 -7.1069 -6.4110 -6.4110 -2.3532 -2.3532 -1.1923 -1.1923 -0.9367 -0.9367 0.1457 0.1457 0.9115 0.9115 2.7733 2.7733 2.9609 2.9609 3.4345 3.4345 3.6400 3.6400 3.7279 3.7279 3.8050 3.8050 4.3894 4.3894 4.6449 4.6449 4.8731 4.8731 5.8203 5.8203 6.0678 6.0678 7.3250 7.3250 8.2273 8.2273 8.8013 8.8013 8.9968 8.9968 k = 0.0000 0.1834-0.0000 ( 4684 PWs) bands (ev): -8.1791 -8.1791 -7.6651 -7.6651 -7.1070 -7.1070 -6.3973 -6.3973 -2.2950 -2.2950 -1.1634 -1.1634 -0.8224 -0.8224 0.2125 0.2125 0.8874 0.8874 2.7283 2.7283 2.9339 2.9339 3.4105 3.4105 3.5703 3.5703 3.6574 3.6574 3.7985 3.7985 4.3955 4.3955 4.6563 4.6563 4.7746 4.7746 5.8414 5.8414 6.0068 6.0068 7.2949 7.2949 8.3094 8.3094 8.8677 8.8677 9.0060 9.0060 k = 0.0000 0.1719-0.0000 ( 4670 PWs) bands (ev): -8.2055 -8.2055 -7.6894 -7.6894 -7.1079 -7.1079 -6.3849 -6.3849 -2.2344 -2.2344 -1.1338 -1.1338 -0.7064 -0.7064 0.2738 0.2738 0.8702 0.8702 2.6788 2.6788 2.9083 2.9083 3.3874 3.3874 3.4961 3.4961 3.5839 3.5839 3.7924 3.7924 4.4006 4.4006 4.6536 4.6536 4.7020 4.7020 5.8594 5.8594 5.9465 5.9465 7.2698 7.2698 8.3924 8.3924 8.9308 8.9308 9.0101 9.0101 k = 0.0000 0.1605-0.0000 ( 4670 PWs) bands (ev): -8.2304 -8.2304 -7.7124 -7.7124 -7.1095 -7.1095 -6.3736 -6.3736 -2.1719 -2.1719 -1.1040 -1.1040 -0.5890 -0.5890 0.3275 0.3275 0.8613 0.8613 2.6265 2.6265 2.8840 2.8840 3.3649 3.3649 3.4174 3.4174 3.5087 3.5087 3.7862 3.7862 4.4046 4.4046 4.5786 4.5786 4.7129 4.7129 5.8556 5.8556 5.9065 5.9065 7.2498 7.2498 8.4752 8.4752 8.9898 8.9898 9.0099 9.0099 k = 0.0000 0.1490-0.0000 ( 4666 PWs) bands (ev): -8.2538 -8.2538 -7.7339 -7.7339 -7.1115 -7.1115 -6.3635 -6.3635 -2.1078 -2.1078 -1.0748 -1.0748 -0.4704 -0.4704 0.3715 0.3715 0.8624 0.8624 2.5733 2.5733 2.8611 2.8611 3.3333 3.3333 3.3429 3.3429 3.4336 3.4336 3.7800 3.7800 4.4064 4.4064 4.4975 4.4975 4.7408 4.7408 5.8038 5.8038 5.9135 5.9135 7.2349 7.2349 8.5570 8.5570 9.0055 9.0055 9.0444 9.0444 k = 0.0000 0.1375-0.0000 ( 4668 PWs) bands (ev): -8.2757 -8.2757 -7.7541 -7.7541 -7.1140 -7.1140 -6.3545 -6.3545 -2.0428 -2.0428 -1.0467 -1.0467 -0.3511 -0.3511 0.4044 0.4044 0.8744 0.8744 2.5203 2.5203 2.8396 2.8396 3.2460 3.2460 3.3142 3.3142 3.3647 3.3647 3.7737 3.7737 4.3955 4.3955 4.4337 4.4337 4.7721 4.7721 5.7429 5.7429 5.9294 5.9294 7.2251 7.2251 8.6369 8.6369 8.9979 8.9979 9.0937 9.0937 k = 0.0000 0.1261-0.0000 ( 4658 PWs) bands (ev): -8.2959 -8.2959 -7.7727 -7.7727 -7.1167 -7.1167 -6.3465 -6.3465 -1.9773 -1.9773 -1.0201 -1.0201 -0.2313 -0.2313 0.4260 0.4260 0.8966 0.8966 2.4691 2.4691 2.8197 2.8197 3.1544 3.1544 3.2605 3.2605 3.3230 3.3230 3.7675 3.7675 4.3389 4.3389 4.4213 4.4213 4.8046 4.8046 5.6823 5.6823 5.9453 5.9453 7.2202 7.2202 8.7141 8.7141 8.9873 8.9873 9.1372 9.1372 k = 0.0000 0.1146-0.0000 ( 4667 PWs) bands (ev): -8.3145 -8.3145 -7.7898 -7.7898 -7.1196 -7.1196 -6.3395 -6.3395 -1.9121 -1.9121 -0.9959 -0.9959 -0.1117 -0.1117 0.4381 0.4381 0.9267 0.9267 2.4205 2.4205 2.8014 2.8014 3.0598 3.0598 3.1892 3.1892 3.3014 3.3014 3.7614 3.7614 4.2758 4.2758 4.4214 4.4214 4.8370 4.8370 5.6239 5.6239 5.9602 5.9602 7.2199 7.2199 8.7880 8.7880 8.9738 8.9738 9.1492 9.1492 k = 0.0000 0.1032-0.0000 ( 4669 PWs) bands (ev): -8.3315 -8.3315 -7.8054 -7.8054 -7.1225 -7.1225 -6.3334 -6.3334 -1.8479 -1.8479 -0.9743 -0.9743 0.0070 0.0070 0.4432 0.4432 0.9613 0.9613 2.3758 2.3758 2.7847 2.7847 2.9634 2.9634 3.1163 3.1163 3.2848 3.2848 3.7556 3.7556 4.2178 4.2178 4.4224 4.4224 4.8682 4.8682 5.5687 5.5687 5.9735 5.9735 7.2236 7.2236 8.8579 8.8579 8.9578 8.9578 9.1232 9.1232 k = 0.0000 0.0917-0.0000 ( 4659 PWs) bands (ev): -8.3467 -8.3467 -7.8195 -7.8195 -7.1253 -7.1253 -6.3280 -6.3280 -1.7853 -1.7853 -0.9560 -0.9560 0.1239 0.1239 0.4441 0.4441 0.9970 0.9970 2.3355 2.3355 2.7696 2.7696 2.8666 2.8666 3.0456 3.0456 3.2707 3.2707 3.7501 3.7501 4.1659 4.1659 4.4234 4.4234 4.8975 4.8975 5.5172 5.5172 5.9853 5.9853 7.2307 7.2307 8.9227 8.9227 8.9397 8.9397 9.1011 9.1011 k = 0.0000 0.0802-0.0000 ( 4661 PWs) bands (ev): -8.3602 -8.3602 -7.8319 -7.8319 -7.1280 -7.1280 -6.3235 -6.3235 -1.7255 -1.7255 -0.9412 -0.9412 0.2367 0.2367 0.4443 0.4443 1.0304 1.0304 2.3003 2.3003 2.7556 2.7556 2.7720 2.7720 2.9785 2.9785 3.2584 3.2584 3.7450 3.7450 4.1201 4.1201 4.4242 4.4242 4.9242 4.9242 5.4703 5.4703 5.9955 5.9955 7.2405 7.2405 8.9186 8.9186 8.9832 8.9832 9.0847 9.0847 k = 0.0000 0.0688-0.0000 ( 4661 PWs) bands (ev): -8.3719 -8.3719 -7.8427 -7.8427 -7.1305 -7.1305 -6.3197 -6.3197 -1.6693 -1.6693 -0.9300 -0.9300 0.3383 0.3383 0.4512 0.4512 1.0589 1.0589 2.2706 2.2706 2.6792 2.6792 2.7451 2.7451 2.9163 2.9163 3.2479 3.2479 3.7403 3.7403 4.0804 4.0804 4.4249 4.4249 4.9481 4.9481 5.4285 5.4285 6.0042 6.0042 7.2520 7.2520 8.8976 8.8976 9.0344 9.0344 9.0762 9.0762 k = 0.0000 0.0573-0.0000 ( 4669 PWs) bands (ev): -8.3818 -8.3818 -7.8519 -7.8519 -7.1328 -7.1328 -6.3165 -6.3165 -1.6181 -1.6181 -0.9223 -0.9223 0.3961 0.3961 0.4970 0.4970 1.0799 1.0799 2.2465 2.2465 2.5937 2.5937 2.7351 2.7351 2.8604 2.8604 3.2389 3.2389 3.7361 3.7361 4.0467 4.0467 4.4253 4.4253 4.9686 4.9686 5.3922 5.3922 6.0114 6.0114 7.2642 7.2642 8.8771 8.8771 9.0560 9.0560 9.0961 9.0961 k = 0.0000 0.0458-0.0000 ( 4667 PWs) bands (ev): -8.3900 -8.3900 -7.8594 -7.8594 -7.1347 -7.1347 -6.3140 -6.3140 -1.5730 -1.5730 -0.9177 -0.9177 0.4062 0.4062 0.5843 0.5843 1.0917 1.0917 2.2278 2.2278 2.5172 2.5172 2.7270 2.7270 2.8119 2.8119 3.2316 3.2316 3.7325 3.7325 4.0190 4.0190 4.4257 4.4257 4.9857 4.9857 5.3619 5.3619 6.0171 6.0171 7.2761 7.2761 8.8583 8.8583 9.0553 9.0553 9.1357 9.1357 k = 0.0000 0.0344-0.0000 ( 4691 PWs) bands (ev): -8.3964 -8.3964 -7.8653 -7.8653 -7.1362 -7.1362 -6.3121 -6.3121 -1.5357 -1.5357 -0.9156 -0.9156 0.4062 0.4062 0.6731 0.6731 1.0930 1.0930 2.2143 2.2143 2.4530 2.4530 2.7207 2.7207 2.7722 2.7722 3.2259 3.2259 3.7296 3.7296 3.9974 3.9974 4.4259 4.4259 4.9991 4.9991 5.3379 5.3379 6.0215 6.0215 7.2867 7.2867 8.8425 8.8425 9.0545 9.0545 9.1715 9.1715 k = 0.0000 0.0229-0.0000 ( 4689 PWs) bands (ev): -8.4010 -8.4010 -7.8695 -7.8695 -7.1373 -7.1373 -6.3107 -6.3107 -1.5075 -1.5075 -0.9151 -0.9151 0.4046 0.4046 0.7504 0.7504 1.0847 1.0847 2.2053 2.2053 2.4041 2.4041 2.7164 2.7164 2.7425 2.7425 3.2219 3.2219 3.7274 3.7274 3.9819 3.9819 4.4261 4.4261 5.0087 5.0087 5.3206 5.3206 6.0246 6.0246 7.2950 7.2950 8.8306 8.8306 9.0548 9.0548 9.2008 9.2008 k = 0.0000 0.0115-0.0000 ( 4691 PWs) bands (ev): -8.4037 -8.4037 -7.8720 -7.8720 -7.1380 -7.1380 -6.3099 -6.3099 -1.4900 -1.4900 -0.9152 -0.9152 0.4033 0.4033 0.8067 0.8067 1.0716 1.0716 2.2002 2.2002 2.3735 2.3735 2.7141 2.7141 2.7238 2.7238 3.2194 3.2194 3.7261 3.7261 3.9726 3.9726 4.4262 4.4262 5.0145 5.0145 5.3101 5.3101 6.0265 6.0265 7.3003 7.3003 8.8232 8.8232 9.0554 9.0554 9.2221 9.2221 k = 0.0000 0.0000 0.0000 ( 4691 PWs) bands (ev): -8.4046 -8.4046 -7.8729 -7.8729 -7.1382 -7.1382 -6.3097 -6.3097 -1.4840 -1.4840 -0.9154 -0.9154 0.4029 0.4029 0.8283 0.8283 1.0647 1.0647 2.1986 2.1986 2.3631 2.3631 2.7144 2.7144 2.7164 2.7164 3.2186 3.2186 3.7256 3.7256 3.9695 3.9695 4.4262 4.4262 5.0164 5.0164 5.3066 5.3066 6.0271 6.0271 7.3021 7.3021 8.8206 8.8206 9.0557 9.0557 9.2307 9.2307 k = 0.0000 0.0000 0.0000 ( 4691 PWs) bands (ev): -8.4046 -8.4046 -7.8729 -7.8729 -7.1382 -7.1382 -6.3097 -6.3097 -1.4840 -1.4840 -0.9154 -0.9154 0.4029 0.4029 0.8283 0.8283 1.0647 1.0647 2.1986 2.1986 2.3631 2.3631 2.7144 2.7144 2.7164 2.7164 3.2186 3.2186 3.7256 3.7256 3.9695 3.9695 4.4262 4.4262 5.0164 5.0164 5.3066 5.3066 6.0271 6.0271 7.3021 7.3021 8.8206 8.8206 9.0557 9.0557 9.2307 9.2307 k = 0.0000 0.0000 0.0108 ( 4691 PWs) bands (ev): -8.4038 -8.4038 -7.8754 -7.8754 -7.1350 -7.1350 -6.3112 -6.3112 -1.4831 -1.4831 -0.9180 -0.9180 0.4072 0.4072 0.8289 0.8289 1.0637 1.0637 2.1792 2.1792 2.3813 2.3813 2.7152 2.7152 2.7191 2.7191 3.2159 3.2159 3.7287 3.7287 3.9679 3.9679 4.4250 4.4250 5.0186 5.0186 5.2947 5.2947 6.0252 6.0252 7.3159 7.3159 8.8171 8.8171 9.0468 9.0468 9.2196 9.2196 k = 0.0000 0.0000 0.0217 ( 4687 PWs) bands (ev): -8.4014 -8.4014 -7.8830 -7.8830 -7.1254 -7.1254 -6.3160 -6.3160 -1.4806 -1.4806 -0.9257 -0.9257 0.4200 0.4200 0.8304 0.8304 1.0610 1.0610 2.1352 2.1352 2.4217 2.4217 2.7177 2.7177 2.7273 2.7273 3.2079 3.2079 3.7376 3.7376 3.9632 3.9632 4.4213 4.4213 5.0247 5.0247 5.2606 5.2606 6.0197 6.0197 7.3562 7.3562 8.8068 8.8068 9.0233 9.0233 9.2003 9.2003 k = 0.0000 0.0000 0.0325 ( 4688 PWs) bands (ev): -8.3973 -8.3973 -7.8952 -7.8952 -7.1099 -7.1099 -6.3238 -6.3238 -1.4763 -1.4763 -0.9381 -0.9381 0.4409 0.4409 0.8331 0.8331 1.0564 1.0564 2.0813 2.0813 2.4698 2.4698 2.7217 2.7217 2.7406 2.7406 3.1953 3.1953 3.7518 3.7518 3.9557 3.9557 4.4151 4.4151 5.0321 5.0321 5.2097 5.2097 6.0104 6.0104 7.4196 7.4196 8.7909 8.7909 8.9917 8.9917 9.1799 9.1799 k = 0.0000 0.0000 0.0433 ( 4684 PWs) bands (ev): -8.3917 -8.3917 -7.9114 -7.9114 -7.0891 -7.0891 -6.3347 -6.3347 -1.4704 -1.4704 -0.9548 -0.9548 0.4691 0.4691 0.8369 0.8369 1.0502 1.0502 2.0226 2.0226 2.5201 2.5201 2.7275 2.7275 2.7590 2.7590 3.1789 3.1789 3.7700 3.7700 3.9458 3.9458 4.4066 4.4066 5.0305 5.0305 5.1563 5.1563 5.9975 5.9975 7.5019 7.5019 8.7710 8.7710 8.9563 8.9563 9.1597 9.1597 k = 0.0000 0.0000 0.0542 ( 4682 PWs) bands (ev): -8.3844 -8.3844 -7.9308 -7.9308 -7.0638 -7.0638 -6.3486 -6.3486 -1.4628 -1.4628 -0.9751 -0.9751 0.5040 0.5040 0.8421 0.8421 1.0424 1.0424 1.9611 1.9611 2.5707 2.5707 2.7352 2.7352 2.7819 2.7819 3.1595 3.1595 3.7911 3.7911 3.9346 3.9346 4.3957 4.3957 4.9903 4.9903 5.1338 5.1338 5.9809 5.9809 7.5986 7.5986 8.7488 8.7488 8.9197 8.9197 9.1394 9.1394 k = 0.0000 0.0000 0.0650 ( 4676 PWs) bands (ev): -8.3756 -8.3756 -7.9528 -7.9528 -7.0348 -7.0348 -6.3654 -6.3654 -1.4535 -1.4535 -0.9982 -0.9982 0.5445 0.5445 0.8487 0.8487 1.0332 1.0332 1.8976 1.8976 2.6204 2.6204 2.7449 2.7449 2.8089 2.8089 3.1380 3.1380 3.8131 3.8131 3.9238 3.9238 4.3824 4.3824 4.9101 4.9101 5.1472 5.1472 5.9606 5.9606 7.7053 7.7053 8.7259 8.7259 8.8834 8.8834 9.1185 9.1185 k = 0.0000 0.0000 0.0758 ( 4676 PWs) bands (ev): -8.3652 -8.3652 -7.9767 -7.9767 -7.0027 -7.0027 -6.3849 -6.3849 -1.4425 -1.4425 -1.0237 -1.0237 0.5895 0.5895 0.8572 0.8572 1.0228 1.0228 1.8324 1.8324 2.6681 2.6681 2.7577 2.7577 2.8391 2.8391 3.1152 3.1152 3.8322 3.8322 3.9173 3.9173 4.3669 4.3669 4.8138 4.8138 5.1752 5.1752 5.9367 5.9367 7.8184 7.8184 8.7035 8.7035 8.8481 8.8481 9.0965 9.0965 k = 0.0000 0.0000 0.0867 ( 4680 PWs) bands (ev): -8.3533 -8.3533 -8.0019 -8.0019 -6.9682 -6.9682 -6.4072 -6.4072 -1.4299 -1.4299 -1.0507 -1.0507 0.6377 0.6377 0.8681 0.8681 1.0112 1.0112 1.7657 1.7657 2.7112 2.7112 2.7754 2.7754 2.8714 2.8714 3.0918 3.0918 3.8422 3.8422 3.9217 3.9217 4.3490 4.3490 4.7114 4.7114 5.2103 5.2103 5.9092 5.9092 7.9346 7.9346 8.6828 8.6828 8.8143 8.8143 9.0725 9.0725 k = 0.0000 0.0000 0.0975 ( 4678 PWs) bands (ev): -8.3399 -8.3399 -8.0280 -8.0280 -6.9318 -6.9318 -6.4319 -6.4319 -1.4157 -1.4157 -1.0788 -1.0788 0.6873 0.6873 0.8826 0.8826 0.9988 0.9988 1.6979 1.6979 2.7454 2.7454 2.8023 2.8023 2.9042 2.9042 3.0687 3.0687 3.8415 3.8415 3.9398 3.9398 4.3288 4.3288 4.6071 4.6071 5.2499 5.2499 5.8782 5.8782 8.0511 8.0511 8.6646 8.6646 8.7825 8.7825 9.0459 9.0459 k = 0.0000 0.0000 0.1083 ( 4670 PWs) bands (ev): -8.3250 -8.3250 -8.0545 -8.0545 -6.8941 -6.8941 -6.4590 -6.4590 -1.3998 -1.3998 -1.1075 -1.1075 0.7357 0.7357 0.9026 0.9026 0.9856 0.9856 1.6292 1.6292 2.7696 2.7696 2.8387 2.8387 2.9345 2.9345 3.0474 3.0474 3.8367 3.8367 3.9660 3.9660 4.3060 4.3060 4.5039 4.5039 5.2930 5.2930 5.8440 5.8440 8.1657 8.1657 8.6494 8.6494 8.7529 8.7529 9.0159 9.0159 k = 0.0000 0.0000 0.1192 ( 4670 PWs) bands (ev): -8.3086 -8.3086 -8.0811 -8.0811 -6.8555 -6.8555 -6.4883 -6.4883 -1.3824 -1.3824 -1.1364 -1.1364 0.7791 0.7791 0.9312 0.9312 0.9719 0.9719 1.5597 1.5597 2.7892 2.7892 2.8788 2.8788 2.9568 2.9568 3.0318 3.0318 3.8345 3.8345 3.9957 3.9957 4.2796 4.2796 4.4049 4.4049 5.3386 5.3386 5.8066 5.8066 8.2762 8.2762 8.6376 8.6376 8.7259 8.7259 8.9819 8.9819 k = 0.0000 0.0000 0.1300 ( 4660 PWs) bands (ev): -8.2909 -8.2909 -8.1076 -8.1076 -6.8163 -6.8163 -6.5195 -6.5195 -1.3634 -1.3634 -1.1651 -1.1651 0.8144 0.8144 0.9575 0.9575 0.9713 0.9713 1.4897 1.4897 2.8077 2.8077 2.9183 2.9183 2.9608 2.9608 3.0300 3.0300 3.8389 3.8389 4.0269 4.0269 4.2449 4.2449 4.3167 4.3167 5.3862 5.3862 5.7663 5.7663 8.3809 8.3809 8.6296 8.6296 8.7016 8.7016 8.9430 8.9430 k = 0.0000 0.0000 0.1408 ( 4668 PWs) bands (ev): -8.2718 -8.2718 -8.1336 -8.1336 -6.7769 -6.7769 -6.5526 -6.5526 -1.3430 -1.3430 -1.1934 -1.1934 0.8414 0.8414 0.9431 0.9431 1.0220 1.0220 1.4195 1.4195 2.8264 2.8264 2.9469 2.9469 2.9559 2.9559 3.0387 3.0387 3.8531 3.8531 4.0582 4.0582 4.1867 4.1867 4.2564 4.2564 5.4350 5.4350 5.7234 5.7234 8.4787 8.4787 8.6254 8.6254 8.6804 8.6804 8.8986 8.8986 k = 0.0000 0.0000 0.1517 ( 4672 PWs) bands (ev): -8.2515 -8.2515 -8.1590 -8.1590 -6.7377 -6.7377 -6.5873 -6.5873 -1.3211 -1.3211 -1.2210 -1.2210 0.8628 0.8628 0.9282 0.9282 1.0808 1.0808 1.3494 1.3494 2.8456 2.8456 2.9281 2.9281 2.9877 2.9877 3.0452 3.0452 3.8793 3.8793 4.0845 4.0845 4.1165 4.1165 4.2193 4.2193 5.4844 5.4844 5.6784 5.6784 8.5683 8.5683 8.6252 8.6252 8.6625 8.6625 8.8479 8.8479 k = 0.0000 0.0000 0.1625 ( 4678 PWs) bands (ev): -8.2300 -8.2300 -8.1836 -8.1836 -6.6988 -6.6988 -6.6234 -6.6234 -1.2979 -1.2979 -1.2477 -1.2477 0.8809 0.8809 0.9131 0.9131 1.1445 1.1445 1.2798 1.2798 2.8656 2.8656 2.9072 2.9072 3.0142 3.0142 3.0438 3.0438 3.9186 3.9186 4.0340 4.0340 4.1256 4.1256 4.1874 4.1874 5.5340 5.5340 5.6315 5.6315 8.6277 8.6277 8.6422 8.6422 8.6568 8.6568 8.7902 8.7902 k = 0.0000 0.0000 0.1734 ( 4676 PWs) bands (ev): -8.2073 -8.2073 -8.2073 -8.2073 -6.6607 -6.6607 -6.6607 -6.6607 -1.2734 -1.2734 -1.2734 -1.2734 0.8974 0.8974 0.8974 0.8974 1.2112 1.2112 1.2112 1.2112 2.8862 2.8862 2.8862 2.8862 3.0334 3.0334 3.0334 3.0334 3.9708 3.9708 3.9708 3.9708 4.1562 4.1562 4.1562 4.1562 5.5832 5.5832 5.5832 5.5832 8.6355 8.6355 8.6355 8.6355 8.7252 8.7252 8.7252 8.7252 k = 0.0000 0.0000 0.1734 ( 4676 PWs) bands (ev): -8.2073 -8.2073 -8.2073 -8.2073 -6.6607 -6.6607 -6.6607 -6.6607 -1.2734 -1.2734 -1.2734 -1.2734 0.8974 0.8974 0.8974 0.8974 1.2112 1.2112 1.2112 1.2112 2.8862 2.8862 2.8862 2.8862 3.0334 3.0334 3.0334 3.0334 3.9708 3.9708 3.9708 3.9708 4.1562 4.1562 4.1562 4.1562 5.5832 5.5832 5.5832 5.5832 8.6355 8.6355 8.6355 8.6355 8.7252 8.7252 8.7252 8.7252 k = 0.0114-0.0000 0.1734 ( 4672 PWs) bands (ev): -8.2063 -8.2063 -8.2062 -8.2062 -6.6601 -6.6601 -6.6598 -6.6598 -1.2751 -1.2751 -1.2747 -1.2747 0.8946 0.8946 0.8946 0.8946 1.2119 1.2119 1.2122 1.2122 2.8718 2.8718 2.8906 2.8906 3.0273 3.0273 3.0458 3.0458 3.9609 3.9609 3.9784 3.9784 4.1469 4.1469 4.1645 4.1645 5.5847 5.5847 5.5848 5.5848 8.6409 8.6409 8.6414 8.6414 8.7255 8.7255 8.7278 8.7278 k = 0.0227-0.0000 0.1734 ( 4668 PWs) bands (ev): -8.2031 -8.2031 -8.2029 -8.2029 -6.6581 -6.6581 -6.6576 -6.6576 -1.2797 -1.2797 -1.2789 -1.2789 0.8862 0.8862 0.8862 0.8862 1.2142 1.2142 1.2147 1.2147 2.8508 2.8508 2.8831 2.8831 3.0297 3.0297 3.0614 3.0614 3.9487 3.9487 3.9829 3.9829 4.1375 4.1375 4.1717 4.1717 5.5892 5.5892 5.5895 5.5895 8.6572 8.6572 8.6579 8.6579 8.7295 8.7295 8.7336 8.7336 k = 0.0341-0.0000 0.1734 ( 4660 PWs) bands (ev): -8.1978 -8.1978 -8.1976 -8.1976 -6.6547 -6.6547 -6.6540 -6.6540 -1.2872 -1.2872 -1.2861 -1.2861 0.8719 0.8719 0.8719 0.8719 1.2183 1.2183 1.2190 1.2190 2.8256 2.8256 2.8655 2.8655 3.0391 3.0391 3.0782 3.0782 3.9338 3.9338 3.9825 3.9825 4.1300 4.1300 4.1786 4.1786 5.5965 5.5965 5.5969 5.5969 8.6808 8.6808 8.6814 8.6814 8.7406 8.7406 8.7449 8.7449 k = 0.0455-0.0000 0.1734 ( 4668 PWs) bands (ev): -8.1905 -8.1905 -8.1901 -8.1901 -6.6499 -6.6499 -6.6490 -6.6490 -1.2978 -1.2978 -1.2962 -1.2962 0.8518 0.8518 0.8518 0.8518 1.2243 1.2243 1.2252 1.2252 2.7975 2.7975 2.8411 2.8411 3.0528 3.0528 3.0952 3.0952 3.9157 3.9157 3.9748 3.9748 4.1272 4.1272 4.1861 4.1861 5.6061 5.6061 5.6067 5.6067 8.7006 8.7006 8.7059 8.7059 8.7673 8.7673 8.7683 8.7683 k = 0.0568-0.0000 0.1734 ( 4668 PWs) bands (ev): -8.1810 -8.1810 -8.1805 -8.1805 -6.6438 -6.6438 -6.6426 -6.6426 -1.3113 -1.3113 -1.3094 -1.3094 0.8255 0.8255 0.8256 0.8256 1.2324 1.2324 1.2335 1.2335 2.7677 2.7677 2.8126 2.8126 3.0685 3.0685 3.1120 3.1120 3.8941 3.8941 3.9586 3.9586 4.1308 4.1308 4.1949 4.1949 5.6176 5.6176 5.6183 5.6183 8.7112 8.7112 8.7218 8.7218 8.8108 8.8108 8.8142 8.8142 k = 0.0682-0.0000 0.1734 ( 4676 PWs) bands (ev): -8.1694 -8.1694 -8.1688 -8.1688 -6.6364 -6.6364 -6.6350 -6.6350 -1.3279 -1.3279 -1.3256 -1.3256 0.7931 0.7931 0.7932 0.7932 1.2427 1.2427 1.2439 1.2439 2.7368 2.7368 2.7819 2.7819 3.0853 3.0853 3.1286 3.1286 3.8693 3.8693 3.9350 3.9350 4.1405 4.1405 4.2054 4.2054 5.6303 5.6303 5.6313 5.6313 8.7163 8.7163 8.7308 8.7308 8.8691 8.8691 8.8757 8.8757 k = 0.0795-0.0000 0.1734 ( 4672 PWs) bands (ev): -8.1557 -8.1557 -8.1550 -8.1550 -6.6277 -6.6277 -6.6260 -6.6260 -1.3475 -1.3475 -1.3449 -1.3449 0.7544 0.7544 0.7546 0.7546 1.2553 1.2553 1.2567 1.2567 2.7055 2.7055 2.7501 2.7501 3.1028 3.1028 3.1451 3.1451 3.8416 3.8416 3.9062 3.9062 4.1547 4.1547 4.2179 4.2179 5.6438 5.6438 5.6451 5.6451 8.7178 8.7178 8.7354 8.7354 8.9380 8.9380 8.9476 8.9476 k = 0.0909-0.0000 0.1734 ( 4680 PWs) bands (ev): -8.1399 -8.1399 -8.1391 -8.1391 -6.6177 -6.6177 -6.6158 -6.6158 -1.3703 -1.3703 -1.3672 -1.3672 0.7096 0.7096 0.7099 0.7099 1.2702 1.2702 1.2718 1.2718 2.6744 2.6744 2.7180 2.7180 3.1207 3.1207 3.1616 3.1616 3.8121 3.8121 3.8741 3.8741 4.1720 4.1720 4.2322 4.2322 5.6575 5.6575 5.6590 5.6590 8.7157 8.7157 8.7363 8.7363 9.0142 9.0142 9.0272 9.0272 k = 0.1023-0.0000 0.1734 ( 4678 PWs) bands (ev): -8.1220 -8.1220 -8.1212 -8.1212 -6.6066 -6.6066 -6.6044 -6.6044 -1.3961 -1.3961 -1.3927 -1.3927 0.6588 0.6588 0.6593 0.6593 1.2875 1.2875 1.2893 1.2893 2.6438 2.6438 2.6863 2.6863 3.1391 3.1391 3.1784 3.1784 3.7815 3.7815 3.8407 3.8407 4.1914 4.1914 4.2482 4.2482 5.6708 5.6708 5.6727 5.6727 8.7094 8.7094 8.7326 8.7326 9.0949 9.0949 9.1120 9.1120 k = 0.1136-0.0000 0.1734 ( 4674 PWs) bands (ev): -8.1022 -8.1022 -8.1012 -8.1012 -6.5943 -6.5943 -6.5920 -6.5920 -1.4250 -1.4250 -1.4212 -1.4212 0.6022 0.6022 0.6029 0.6029 1.3071 1.3071 1.3091 1.3091 2.6144 2.6144 2.6554 2.6554 3.1579 3.1579 3.1954 3.1954 3.7510 3.7510 3.8072 3.8072 4.2121 4.2121 4.2654 4.2654 5.6833 5.6833 5.6855 5.6855 8.6977 8.6977 8.7235 8.7235 9.1771 9.1771 9.1990 9.1990 k = 0.1250-0.0000 0.1734 ( 4676 PWs) bands (ev): -8.0802 -8.0802 -8.0792 -8.0792 -6.5810 -6.5810 -6.5784 -6.5784 -1.4570 -1.4570 -1.4529 -1.4529 0.5401 0.5401 0.5410 0.5410 1.3291 1.3291 1.3312 1.3312 2.5863 2.5863 2.6259 2.6259 3.1774 3.1774 3.2130 3.2130 3.7213 3.7213 3.7747 3.7747 4.2337 4.2337 4.2837 4.2837 5.6947 5.6947 5.6972 5.6972 8.6795 8.6795 8.7076 8.7076 9.2571 9.2571 9.2849 9.2849 k = 0.1364-0.0000 0.1734 ( 4680 PWs) bands (ev): -8.0563 -8.0563 -8.0552 -8.0552 -6.5667 -6.5667 -6.5639 -6.5639 -1.4919 -1.4919 -1.4875 -1.4875 0.4729 0.4729 0.4740 0.4740 1.3533 1.3533 1.3556 1.3556 2.5600 2.5600 2.5980 2.5980 3.1974 3.1974 3.2311 3.2311 3.6933 3.6933 3.7441 3.7441 4.2558 4.2558 4.3026 4.3026 5.7046 5.7046 5.7073 5.7073 8.6537 8.6537 8.6840 8.6840 9.3301 9.3301 9.3648 9.3648 k = 0.1477-0.0000 0.1734 ( 4684 PWs) bands (ev): -8.0304 -8.0304 -8.0293 -8.0293 -6.5516 -6.5516 -6.5486 -6.5486 -1.5298 -1.5298 -1.5250 -1.5250 0.4008 0.4008 0.4021 0.4021 1.3798 1.3798 1.3822 1.3822 2.5357 2.5357 2.5721 2.5721 3.2181 3.2181 3.2500 3.2500 3.6676 3.6676 3.7161 3.7161 4.2780 4.2780 4.3219 4.3219 5.7126 5.7126 5.7156 5.7156 8.6197 8.6197 8.6516 8.6516 9.3902 9.3902 9.4323 9.4323 k = 0.1591-0.0000 0.1734 ( 4690 PWs) bands (ev): -8.0026 -8.0026 -8.0013 -8.0013 -6.5356 -6.5356 -6.5325 -6.5325 -1.5704 -1.5704 -1.5654 -1.5654 0.3243 0.3243 0.3259 0.3259 1.4085 1.4085 1.4110 1.4110 2.5135 2.5135 2.5485 2.5485 3.2395 3.2395 3.2696 3.2696 3.6448 3.6448 3.6912 3.6912 4.3000 4.3000 4.3413 4.3413 5.7187 5.7187 5.7218 5.7218 8.5768 8.5768 8.6100 8.6100 9.4309 9.4309 9.4795 9.4795 k = 0.1705-0.0000 0.1734 ( 4678 PWs) bands (ev): -7.9728 -7.9728 -7.9715 -7.9715 -6.5191 -6.5191 -6.5157 -6.5157 -1.6137 -1.6137 -1.6083 -1.6083 0.2438 0.2438 0.2456 0.2456 1.4393 1.4393 1.4420 1.4420 2.4938 2.4938 2.5272 2.5272 3.2617 3.2617 3.2901 3.2901 3.6253 3.6253 3.6696 3.6696 4.3216 4.3216 4.3605 4.3605 5.7226 5.7226 5.7258 5.7258 8.5254 8.5254 8.5594 8.5594 9.4479 9.4479 9.4999 9.4999 k = 0.1818-0.0000 0.1734 ( 4686 PWs) bands (ev): -7.9412 -7.9412 -7.9398 -7.9398 -6.5020 -6.5020 -6.4984 -6.4984 -1.6593 -1.6593 -1.6537 -1.6537 0.1596 0.1596 0.1617 0.1617 1.4723 1.4723 1.4752 1.4752 2.4767 2.4767 2.5086 2.5086 3.2847 3.2847 3.3114 3.3114 3.6091 3.6091 3.6516 3.6516 4.3426 4.3426 4.3793 4.3793 5.7241 5.7241 5.7273 5.7273 8.4659 8.4659 8.5002 8.5002 9.4420 9.4420 9.4940 9.4940 k = 0.1932-0.0000 0.1734 ( 4682 PWs) bands (ev): -7.9077 -7.9077 -7.9062 -7.9062 -6.4845 -6.4845 -6.4808 -6.4808 -1.7070 -1.7070 -1.7011 -1.7011 0.0722 0.0722 0.0746 0.0746 1.5073 1.5073 1.5103 1.5103 2.4623 2.4623 2.4928 2.4928 3.3085 3.3085 3.3337 3.3337 3.5963 3.5963 3.6371 3.6371 4.3627 4.3627 4.3974 4.3974 5.7232 5.7232 5.7263 5.7263 8.3997 8.3997 8.4340 8.4340 9.4183 9.4183 9.4684 9.4684 k = 0.2045-0.0000 0.1734 ( 4692 PWs) bands (ev): -7.8724 -7.8724 -7.8709 -7.8709 -6.4668 -6.4668 -6.4629 -6.4629 -1.7565 -1.7565 -1.7504 -1.7504 -0.0179 -0.0179 -0.0154 -0.0154 1.5444 1.5444 1.5475 1.5475 2.4509 2.4509 2.4800 2.4800 3.3333 3.3333 3.3570 3.3570 3.5870 3.5870 3.6261 3.6261 4.3817 4.3817 4.4145 4.4145 5.7197 5.7197 5.7227 5.7227 8.3281 8.3281 8.3621 8.3621 9.3814 9.3814 9.4287 9.4287 k = 0.2159-0.0000 0.1734 ( 4708 PWs) bands (ev): -7.8353 -7.8353 -7.8338 -7.8338 -6.4490 -6.4490 -6.4450 -6.4450 -1.8075 -1.8075 -1.8012 -1.8012 -0.1105 -0.1105 -0.1078 -0.1078 1.5834 1.5834 1.5867 1.5867 2.4426 2.4426 2.4703 2.4703 3.3588 3.3588 3.3813 3.3813 3.5809 3.5809 3.6184 3.6184 4.3993 4.3993 4.4304 4.4304 5.7137 5.7137 5.7164 5.7164 8.2529 8.2529 8.2865 8.2865 9.3340 9.3340 9.3778 9.3778 k = 0.2273-0.0000 0.1734 ( 4704 PWs) bands (ev): -7.7966 -7.7966 -7.7950 -7.7950 -6.4313 -6.4313 -6.4272 -6.4272 -1.8595 -1.8595 -1.8531 -1.8531 -0.2052 -0.2052 -0.2022 -0.2022 1.6243 1.6243 1.6278 1.6278 2.4374 2.4374 2.4639 2.4639 3.3853 3.3853 3.4067 3.4067 3.5777 3.5777 3.6136 3.6136 4.4153 4.4153 4.4448 4.4448 5.7051 5.7051 5.7073 5.7073 8.1757 8.1757 8.2090 8.2090 9.2778 9.2778 9.3173 9.3173 k = 0.2386-0.0000 0.1734 ( 4708 PWs) bands (ev): -7.7561 -7.7561 -7.7545 -7.7545 -6.4140 -6.4140 -6.4098 -6.4098 -1.9121 -1.9121 -1.9056 -1.9056 -0.3015 -0.3015 -0.2983 -0.2983 1.6671 1.6671 1.6707 1.6707 2.4354 2.4354 2.4607 2.4607 3.4126 3.4126 3.4330 3.4330 3.5772 3.5772 3.6114 3.6114 4.4294 4.4294 4.4575 4.4575 5.6937 5.6937 5.6954 5.6954 8.0981 8.0981 8.1312 8.1312 9.2142 9.2142 9.2491 9.2491 k = 0.2500-0.0000 0.1734 ( 4702 PWs) bands (ev): -7.7141 -7.7141 -7.7125 -7.7125 -6.3972 -6.3972 -6.3929 -6.3929 -1.9649 -1.9649 -1.9583 -1.9583 -0.3990 -0.3990 -0.3958 -0.3958 1.7117 1.7117 1.7155 1.7155 2.4368 2.4368 2.4608 2.4608 3.4408 3.4408 3.4603 3.4603 3.5789 3.5789 3.6114 3.6114 4.4414 4.4414 4.4681 4.4681 5.6797 5.6797 5.6807 5.6807 8.0217 8.0217 8.0548 8.0548 9.1449 9.1449 9.1754 9.1754 k = 0.2614-0.0000 0.1734 ( 4690 PWs) bands (ev): -7.6706 -7.6706 -7.6689 -7.6689 -6.3812 -6.3812 -6.3768 -6.3768 -2.0174 -2.0174 -2.0107 -2.0107 -0.4976 -0.4976 -0.4942 -0.4942 1.7580 1.7580 1.7619 1.7619 2.4414 2.4414 2.4643 2.4643 3.4697 3.4697 3.4886 3.4886 3.5825 3.5825 3.6131 3.6131 4.4510 4.4510 4.4765 4.4765 5.6629 5.6629 5.6630 5.6630 7.9479 7.9479 7.9812 7.9812 9.0718 9.0718 9.0982 9.0982 k = 0.2727-0.0000 0.1734 ( 4696 PWs) bands (ev): -7.6256 -7.6256 -7.6239 -7.6239 -6.3662 -6.3662 -6.3618 -6.3618 -2.0691 -2.0691 -2.0624 -2.0624 -0.5968 -0.5968 -0.5933 -0.5933 1.8059 1.8059 1.8100 1.8100 2.4492 2.4492 2.4710 2.4710 3.4991 3.4991 3.5176 3.5176 3.5876 3.5876 3.6163 3.6163 4.4582 4.4582 4.4826 4.4826 5.6423 5.6423 5.6433 5.6433 7.8779 7.8779 7.9117 7.9117 8.9964 8.9964 9.0192 9.0192 k = 0.2841-0.0000 0.1734 ( 4698 PWs) bands (ev): -7.5793 -7.5793 -7.5776 -7.5776 -6.3524 -6.3524 -6.3480 -6.3480 -2.1194 -2.1194 -2.1127 -2.1127 -0.6963 -0.6963 -0.6927 -0.6927 1.8554 1.8554 1.8596 1.8596 2.4601 2.4601 2.4809 2.4809 3.5288 3.5288 3.5470 3.5470 3.5939 3.5939 3.6205 3.6205 4.4629 4.4629 4.4862 4.4862 5.6185 5.6185 5.6208 5.6208 7.8129 7.8129 7.8474 7.8474 8.9201 8.9201 8.9398 8.9398 k = 0.2955-0.0000 0.1734 ( 4702 PWs) bands (ev): -7.5316 -7.5316 -7.5299 -7.5299 -6.3401 -6.3401 -6.3357 -6.3357 -2.1678 -2.1678 -2.1612 -2.1612 -0.7957 -0.7957 -0.7922 -0.7922 1.9063 1.9063 1.9106 1.9106 2.4741 2.4741 2.4938 2.4938 3.5581 3.5581 3.5766 3.5766 3.6014 3.6014 3.6254 3.6254 4.4651 4.4651 4.4873 4.4873 5.5917 5.5917 5.5953 5.5953 7.7539 7.7539 7.7894 7.7894 8.8441 8.8441 8.8611 8.8611 k = 0.3068-0.0000 0.1734 ( 4692 PWs) bands (ev): -7.4828 -7.4828 -7.4811 -7.4811 -6.3297 -6.3297 -6.3253 -6.3253 -2.2138 -2.2138 -2.2073 -2.2073 -0.8949 -0.8949 -0.8913 -0.8913 1.9585 1.9585 1.9630 1.9630 2.4910 2.4910 2.5097 2.5097 3.5849 3.5849 3.6049 3.6049 3.6116 3.6116 3.6317 3.6317 4.4649 4.4649 4.4861 4.4861 5.5617 5.5617 5.5669 5.5669 7.7019 7.7019 7.7386 7.7386 8.7693 8.7693 8.7839 8.7839 k = 0.3182-0.0000 0.1734 ( 4684 PWs) bands (ev): -7.4328 -7.4328 -7.4312 -7.4312 -6.3213 -6.3213 -6.3170 -6.3170 -2.2569 -2.2569 -2.2505 -2.2505 -0.9934 -0.9934 -0.9898 -0.9898 2.0120 2.0120 2.0165 2.0165 2.5105 2.5105 2.5281 2.5281 3.6029 3.6029 3.6254 3.6254 3.6299 3.6299 3.6450 3.6450 4.4627 4.4627 4.4828 4.4828 5.5287 5.5287 5.5355 5.5355 7.6575 7.6575 7.6956 7.6956 8.6964 8.6964 8.7089 8.7089 k = 0.3295-0.0000 0.1734 ( 4692 PWs) bands (ev): -7.3819 -7.3819 -7.3803 -7.3803 -6.3152 -6.3152 -6.3110 -6.3110 -2.2965 -2.2965 -2.2903 -2.2903 -1.0909 -1.0909 -1.0875 -1.0875 2.0665 2.0665 2.0711 2.0711 2.5324 2.5324 2.5490 2.5490 3.6121 3.6121 3.6328 3.6328 3.6554 3.6554 3.6697 3.6697 4.4590 4.4590 4.4781 4.4781 5.4925 5.4925 5.5010 5.5010 7.6214 7.6214 7.6610 7.6610 8.6262 8.6262 8.6368 8.6368 k = 0.3409-0.0000 0.1734 ( 4690 PWs) bands (ev): -7.3301 -7.3301 -7.3286 -7.3286 -6.3118 -6.3118 -6.3076 -6.3076 -2.3322 -2.3322 -2.3262 -2.3262 -1.1873 -1.1873 -1.1839 -1.1839 2.1218 2.1218 2.1266 2.1266 2.5564 2.5564 2.5720 2.5720 3.6180 3.6180 3.6362 3.6362 3.6816 3.6816 3.6957 3.6957 4.4546 4.4546 4.4724 4.4724 5.4534 5.4534 5.4636 5.4636 7.5940 7.5940 7.6352 7.6352 8.5591 8.5591 8.5680 8.5680 k = 0.3523-0.0000 0.1734 ( 4690 PWs) bands (ev): -7.2776 -7.2776 -7.2761 -7.2761 -6.3111 -6.3111 -6.3071 -6.3071 -2.3635 -2.3635 -2.3577 -2.3577 -1.2821 -1.2821 -1.2788 -1.2788 2.1779 2.1779 2.1827 2.1827 2.5822 2.5822 2.5967 2.5967 3.6221 3.6221 3.6378 3.6378 3.7062 3.7062 3.7198 3.7198 4.4503 4.4503 4.4667 4.4667 5.4115 5.4115 5.4233 5.4233 7.5755 7.5755 7.6183 7.6183 8.4957 8.4957 8.5028 8.5028 k = 0.3636-0.0000 0.1734 ( 4696 PWs) bands (ev): -7.2245 -7.2245 -7.2230 -7.2230 -6.3136 -6.3136 -6.3097 -6.3097 -2.3899 -2.3899 -2.3845 -2.3845 -1.3752 -1.3752 -1.3720 -1.3720 2.2344 2.2344 2.2392 2.2392 2.6094 2.6094 2.6228 2.6228 3.6246 3.6246 3.6379 3.6379 3.7276 3.7276 3.7404 3.7404 4.4475 4.4475 4.4622 4.4622 5.3670 5.3670 5.3803 5.3803 7.5658 7.5658 7.6103 7.6103 8.4362 8.4362 8.4417 8.4417 k = 0.3750-0.0000 0.1734 ( 4698 PWs) bands (ev): -7.1709 -7.1709 -7.1696 -7.1696 -6.3193 -6.3193 -6.3156 -6.3156 -2.4112 -2.4112 -2.4061 -2.4061 -1.4662 -1.4662 -1.4632 -1.4632 2.2910 2.2910 2.2959 2.2959 2.6376 2.6376 2.6498 2.6498 3.6256 3.6256 3.6364 3.6364 3.7449 3.7449 3.7564 3.7564 4.4473 4.4473 4.4601 4.4601 5.3203 5.3203 5.3350 5.3350 7.5649 7.5649 7.6109 7.6109 8.3809 8.3809 8.3847 8.3847 k = 0.3864-0.0000 0.1734 ( 4692 PWs) bands (ev): -7.1171 -7.1171 -7.1158 -7.1158 -6.3284 -6.3284 -6.3249 -6.3249 -2.4269 -2.4269 -2.4222 -2.4222 -1.5548 -1.5548 -1.5520 -1.5520 2.3476 2.3476 2.3525 2.3525 2.6661 2.6661 2.6770 2.6770 3.6251 3.6251 3.6335 3.6335 3.7569 3.7569 3.7669 3.7669 4.4512 4.4512 4.4616 4.4616 5.2716 5.2716 5.2875 5.2875 7.5724 7.5724 7.6199 7.6199 8.3300 8.3300 8.3319 8.3319 k = 0.3977-0.0000 0.1734 ( 4686 PWs) bands (ev): -7.0632 -7.0632 -7.0620 -7.0620 -6.3410 -6.3410 -6.3378 -6.3378 -2.4368 -2.4368 -2.4325 -2.4325 -1.6408 -1.6408 -1.6382 -1.6382 2.4036 2.4036 2.4086 2.4086 2.6944 2.6944 2.7040 2.7040 3.6234 3.6234 3.6293 3.6293 3.7630 3.7630 3.7711 3.7711 4.4602 4.4602 4.4679 4.4679 5.2214 5.2214 5.2382 5.2382 7.5878 7.5878 7.6367 7.6367 8.2833 8.2833 8.2836 8.2836 k = 0.4091-0.0000 0.1734 ( 4676 PWs) bands (ev): -7.0093 -7.0093 -7.0083 -7.0083 -6.3572 -6.3572 -6.3543 -6.3543 -2.4407 -2.4407 -2.4368 -2.4368 -1.7239 -1.7239 -1.7216 -1.7216 2.4587 2.4587 2.4637 2.4637 2.7218 2.7218 2.7300 2.7300 3.6206 3.6206 3.6242 3.6242 3.7628 3.7628 3.7687 3.7687 4.4751 4.4751 4.4799 4.4799 5.1699 5.1699 5.1875 5.1875 7.6104 7.6104 7.6605 7.6605 8.2387 8.2387 8.2415 8.2415 k = 0.4205-0.0000 0.1734 ( 4668 PWs) bands (ev): -6.9558 -6.9558 -6.9549 -6.9549 -6.3771 -6.3771 -6.3744 -6.3744 -2.4384 -2.4384 -2.4349 -2.4349 -1.8038 -1.8038 -1.8017 -1.8017 2.5124 2.5124 2.5173 2.5173 2.7474 2.7474 2.7541 2.7541 3.6173 3.6173 3.6185 3.6185 3.7565 3.7565 3.7602 3.7602 4.4961 4.4961 4.4979 4.4979 5.1177 5.1177 5.1357 5.1357 7.6395 7.6395 7.6906 7.6906 8.1977 8.1977 8.2034 8.2034 k = 0.4318-0.0000 0.1734 ( 4664 PWs) bands (ev): -6.9028 -6.9028 -6.9021 -6.9021 -6.4005 -6.4005 -6.3982 -6.3982 -2.4299 -2.4299 -2.4269 -2.4269 -1.8802 -1.8802 -1.8784 -1.8784 2.5640 2.5640 2.5689 2.5689 2.7702 2.7702 2.7753 2.7753 3.6130 3.6130 3.6139 3.6139 3.7449 3.7449 3.7463 3.7463 4.5218 4.5218 4.5229 4.5229 5.0650 5.0650 5.0832 5.0832 7.6742 7.6742 7.7260 7.7260 8.1596 8.1596 8.1689 8.1689 k = 0.4432-0.0000 0.1734 ( 4666 PWs) bands (ev): -6.8505 -6.8505 -6.8500 -6.8500 -6.4275 -6.4275 -6.4254 -6.4254 -2.4151 -2.4151 -2.4125 -2.4125 -1.9529 -1.9529 -1.9514 -1.9514 2.6129 2.6129 2.6177 2.6177 2.7892 2.7892 2.7928 2.7928 3.6085 3.6085 3.6114 3.6114 3.7284 3.7284 3.7290 3.7290 4.5512 4.5512 4.5551 4.5551 5.0122 5.0122 5.0303 5.0303 7.7136 7.7136 7.7656 7.7656 8.1236 8.1236 8.1372 8.1372 k = 0.4545-0.0000 0.1734 ( 4662 PWs) bands (ev): -6.7992 -6.7992 -6.7989 -6.7989 -6.4579 -6.4579 -6.4561 -6.4561 -2.3941 -2.3941 -2.3920 -2.3920 -2.0215 -2.0215 -2.0203 -2.0203 2.6584 2.6584 2.6630 2.6630 2.8032 2.8032 2.8052 2.8052 3.6059 3.6059 3.6104 3.6104 3.7078 3.7078 3.7104 3.7104 4.5855 4.5855 4.5919 4.5919 4.9595 4.9595 4.9774 4.9774 7.7564 7.7564 7.8082 7.8082 8.0886 8.0886 8.1072 8.1072 k = 0.4659-0.0000 0.1734 ( 4662 PWs) bands (ev): -6.7492 -6.7492 -6.7491 -6.7491 -6.4915 -6.4915 -6.4901 -6.4901 -2.3670 -2.3670 -2.3653 -2.3653 -2.0858 -2.0858 -2.0849 -2.0849 2.6995 2.6995 2.7039 2.7039 2.8112 2.8112 2.8117 2.8117 3.6061 3.6061 3.6119 3.6119 3.6863 3.6863 3.6905 3.6905 4.6238 4.6238 4.6326 4.6326 4.9074 4.9074 4.9247 4.9247 7.8014 7.8014 7.8522 7.8522 8.0535 8.0535 8.0777 8.0777 k = 0.4773-0.0000 0.1734 ( 4656 PWs) bands (ev): -6.7008 -6.7008 -6.7007 -6.7007 -6.5282 -6.5282 -6.5270 -6.5270 -2.3338 -2.3338 -2.3325 -2.3325 -2.1454 -2.1454 -2.1450 -2.1450 2.7354 2.7354 2.7395 2.7395 2.8114 2.8114 2.8122 2.8122 3.6099 3.6099 3.6166 3.6166 3.6652 3.6652 3.6707 3.6707 4.6656 4.6656 4.6764 4.6764 4.8561 4.8561 4.8726 4.8726 7.8473 7.8473 7.8961 7.8961 8.0170 8.0170 8.0471 8.0471 k = 0.4886-0.0000 0.1734 ( 4656 PWs) bands (ev): -6.6543 -6.6543 -6.6539 -6.6539 -6.5677 -6.5677 -6.5669 -6.5669 -2.2948 -2.2948 -2.2940 -2.2940 -2.2002 -2.2002 -2.2001 -2.2001 2.7652 2.7652 2.7688 2.7688 2.8036 2.8036 2.8055 2.8055 3.6179 3.6179 3.6250 3.6250 3.6461 3.6461 3.6526 3.6526 4.7102 4.7102 4.7228 4.7228 4.8059 4.8059 4.8213 4.8213 7.8928 7.8928 7.9385 7.9385 7.9782 7.9782 8.0142 8.0142 k = 0.5000-0.0000 0.1734 ( 4676 PWs) bands (ev): -6.6099 -6.6099 -6.6099 -6.6099 -6.6092 -6.6092 -6.6092 -6.6092 -2.2501 -2.2501 -2.2501 -2.2501 -2.2498 -2.2498 -2.2498 -2.2498 2.7881 2.7881 2.7881 2.7881 2.7910 2.7910 2.7910 2.7910 3.6301 3.6301 3.6301 3.6301 3.6371 3.6371 3.6371 3.6371 4.7571 4.7571 4.7571 4.7571 4.7713 4.7713 4.7713 4.7713 7.9367 7.9367 7.9367 7.9367 7.9781 7.9781 7.9781 7.9781 k = 0.5000-0.0000 0.1734 ( 4676 PWs) bands (ev): -6.6099 -6.6099 -6.6099 -6.6099 -6.6092 -6.6092 -6.6092 -6.6092 -2.2501 -2.2501 -2.2501 -2.2501 -2.2498 -2.2498 -2.2498 -2.2498 2.7881 2.7881 2.7881 2.7881 2.7910 2.7910 2.7910 2.7910 3.6301 3.6301 3.6301 3.6301 3.6371 3.6371 3.6371 3.6371 4.7571 4.7571 4.7571 4.7571 4.7713 4.7713 4.7713 4.7713 7.9367 7.9367 7.9367 7.9367 7.9781 7.9781 7.9781 7.9781 k = 0.5000 0.0115 0.1734 ( 4676 PWs) bands (ev): -6.6095 -6.6095 -6.6094 -6.6094 -6.6089 -6.6089 -6.6088 -6.6088 -2.2496 -2.2496 -2.2494 -2.2494 -2.2492 -2.2492 -2.2491 -2.2491 2.7828 2.7828 2.7840 2.7840 2.7841 2.7841 2.7885 2.7885 3.6266 3.6266 3.6289 3.6289 3.6325 3.6325 3.6369 3.6369 4.7547 4.7547 4.7595 4.7595 4.7706 4.7706 4.7716 4.7716 7.9328 7.9328 7.9377 7.9377 7.9748 7.9748 7.9764 7.9764 k = 0.5000 0.0229 0.1734 ( 4664 PWs) bands (ev): -6.6084 -6.6084 -6.6081 -6.6081 -6.6078 -6.6078 -6.6075 -6.6075 -2.2478 -2.2478 -2.2474 -2.2474 -2.2474 -2.2474 -2.2471 -2.2471 2.7680 2.7680 2.7683 2.7683 2.7705 2.7705 2.7766 2.7766 3.6188 3.6188 3.6232 3.6232 3.6233 3.6233 3.6320 3.6320 4.7522 4.7522 4.7617 4.7617 4.7693 4.7693 4.7715 4.7715 7.9274 7.9274 7.9367 7.9367 7.9681 7.9681 7.9710 7.9710 k = 0.5000 0.0344 0.1734 ( 4660 PWs) bands (ev): -6.6065 -6.6065 -6.6061 -6.6061 -6.6060 -6.6060 -6.6054 -6.6054 -2.2448 -2.2448 -2.2444 -2.2444 -2.2442 -2.2442 -2.2439 -2.2439 2.7430 2.7430 2.7447 2.7447 2.7480 2.7480 2.7556 2.7556 3.6068 3.6068 3.6098 3.6098 3.6130 3.6130 3.6226 3.6226 4.7492 4.7492 4.7633 4.7633 4.7671 4.7671 4.7705 4.7705 7.9233 7.9233 7.9366 7.9366 7.9619 7.9619 7.9656 7.9656 k = 0.5000 0.0458 0.1734 ( 4672 PWs) bands (ev): -6.6039 -6.6039 -6.6033 -6.6033 -6.6033 -6.6033 -6.6026 -6.6026 -2.2405 -2.2405 -2.2401 -2.2401 -2.2397 -2.2397 -2.2394 -2.2394 2.7098 2.7098 2.7127 2.7127 2.7171 2.7171 2.7260 2.7260 3.5909 3.5909 3.5921 3.5921 3.5984 3.5984 3.6088 3.6088 4.7453 4.7453 4.7635 4.7635 4.7635 4.7635 4.7682 4.7682 7.9240 7.9240 7.9407 7.9407 7.9602 7.9602 7.9643 7.9643 k = 0.5000 0.0573 0.1734 ( 4688 PWs) bands (ev): -6.6005 -6.6005 -6.5999 -6.5999 -6.5997 -6.5997 -6.5991 -6.5991 -2.2350 -2.2350 -2.2347 -2.2347 -2.2341 -2.2341 -2.2338 -2.2338 2.6691 2.6691 2.6729 2.6729 2.6783 2.6783 2.6883 2.6883 3.5706 3.5706 3.5714 3.5714 3.5796 3.5796 3.5910 3.5910 4.7398 4.7398 4.7581 4.7581 4.7619 4.7619 4.7641 4.7641 7.9325 7.9325 7.9522 7.9522 7.9663 7.9663 7.9704 7.9704 k = 0.5000 0.0688 0.1734 ( 4688 PWs) bands (ev): -6.5963 -6.5963 -6.5958 -6.5958 -6.5954 -6.5954 -6.5948 -6.5948 -2.2284 -2.2284 -2.2280 -2.2280 -2.2272 -2.2272 -2.2270 -2.2270 2.6217 2.6217 2.6262 2.6262 2.6325 2.6325 2.6434 2.6434 3.5453 3.5453 3.5483 3.5483 3.5567 3.5567 3.5692 3.5692 4.7324 4.7324 4.7503 4.7503 4.7578 4.7578 4.7581 4.7581 7.9507 7.9507 7.9731 7.9731 7.9827 7.9827 7.9865 7.9865 k = 0.5000 0.0802 0.1734 ( 4688 PWs) bands (ev): -6.5915 -6.5915 -6.5910 -6.5910 -6.5904 -6.5904 -6.5898 -6.5898 -2.2206 -2.2206 -2.2202 -2.2202 -2.2192 -2.2192 -2.2190 -2.2190 2.5686 2.5686 2.5735 2.5735 2.5806 2.5806 2.5923 2.5923 3.5165 3.5165 3.5217 3.5217 3.5297 3.5297 3.5434 3.5434 4.7229 4.7229 4.7402 4.7402 4.7492 4.7492 4.7517 4.7517 7.9801 7.9801 8.0051 8.0051 8.0105 8.0105 8.0139 8.0139 k = 0.5000 0.0917 0.1734 ( 4684 PWs) bands (ev): -6.5860 -6.5860 -6.5854 -6.5854 -6.5847 -6.5847 -6.5841 -6.5841 -2.2117 -2.2117 -2.2114 -2.2114 -2.2101 -2.2101 -2.2100 -2.2100 2.5106 2.5106 2.5158 2.5158 2.5237 2.5237 2.5360 2.5360 3.4839 3.4839 3.4914 3.4914 3.4986 3.4986 3.5138 3.5138 4.7112 4.7112 4.7277 4.7277 4.7384 4.7384 4.7428 4.7428 8.0210 8.0210 8.0486 8.0486 8.0504 8.0504 8.0532 8.0532 k = 0.5000 0.1032 0.1734 ( 4684 PWs) bands (ev): -6.5798 -6.5798 -6.5793 -6.5793 -6.5784 -6.5784 -6.5777 -6.5777 -2.2017 -2.2017 -2.2015 -2.2015 -2.2000 -2.2000 -2.1999 -2.1999 2.4487 2.4487 2.4541 2.4541 2.4626 2.4626 2.4754 2.4754 3.4476 3.4476 3.4573 3.4573 3.4633 3.4633 3.4800 3.4800 4.6979 4.6979 4.7134 4.7134 4.7258 4.7258 4.7318 4.7318 8.0734 8.0734 8.1023 8.1023 8.1037 8.1037 8.1043 8.1043 k = 0.5000 0.1146 0.1734 ( 4684 PWs) bands (ev): -6.5730 -6.5730 -6.5725 -6.5725 -6.5714 -6.5714 -6.5708 -6.5708 -2.1908 -2.1908 -2.1906 -2.1906 -2.1889 -2.1889 -2.1888 -2.1888 2.3839 2.3839 2.3893 2.3893 2.3984 2.3984 2.4115 2.4115 3.4074 3.4074 3.4193 3.4193 3.4237 3.4237 3.4421 3.4421 4.6832 4.6832 4.6978 4.6978 4.7118 4.7118 4.7192 4.7192 8.1366 8.1366 8.1654 8.1654 8.1666 8.1666 8.1698 8.1698 k = 0.5000 0.1261 0.1734 ( 4672 PWs) bands (ev): -6.5656 -6.5656 -6.5652 -6.5652 -6.5639 -6.5639 -6.5633 -6.5633 -2.1789 -2.1789 -2.1788 -2.1788 -2.1768 -2.1768 -2.1768 -2.1768 2.3171 2.3171 2.3223 2.3223 2.3319 2.3319 2.3454 2.3454 3.3630 3.3630 3.3770 3.3770 3.3798 3.3798 3.3998 3.3998 4.6681 4.6681 4.6816 4.6816 4.6972 4.6972 4.7056 4.7056 8.2095 8.2095 8.2388 8.2388 8.2390 8.2390 8.2458 8.2458 k = 0.5000 0.1375 0.1734 ( 4684 PWs) bands (ev): -6.5577 -6.5577 -6.5573 -6.5573 -6.5559 -6.5559 -6.5553 -6.5553 -2.1663 -2.1663 -2.1661 -2.1661 -2.1640 -2.1640 -2.1640 -2.1640 2.2491 2.2491 2.2540 2.2540 2.2641 2.2641 2.2778 2.2778 3.3146 3.3146 3.3304 3.3304 3.3314 3.3314 3.3530 3.3530 4.6530 4.6530 4.6654 4.6654 4.6826 4.6826 4.6918 4.6918 8.2907 8.2907 8.3200 8.3200 8.3210 8.3210 8.3305 8.3305 k = 0.5000 0.1490 0.1734 ( 4680 PWs) bands (ev): -6.5494 -6.5494 -6.5489 -6.5489 -6.5474 -6.5474 -6.5468 -6.5468 -2.1528 -2.1528 -2.1527 -2.1527 -2.1504 -2.1504 -2.1503 -2.1503 2.1805 2.1805 2.1853 2.1853 2.1957 2.1957 2.2095 2.2095 3.2622 3.2622 3.2787 3.2787 3.2796 3.2796 3.3019 3.3019 4.6387 4.6387 4.6501 4.6501 4.6687 4.6687 4.6783 4.6783 8.3785 8.3785 8.4079 8.4079 8.4104 8.4104 8.4221 8.4221 k = 0.5000 0.1605 0.1734 ( 4684 PWs) bands (ev): -6.5406 -6.5406 -6.5402 -6.5402 -6.5384 -6.5384 -6.5378 -6.5378 -2.1386 -2.1386 -2.1386 -2.1386 -2.1361 -2.1361 -2.1360 -2.1360 2.1122 2.1122 2.1166 2.1166 2.1273 2.1273 2.1414 2.1414 3.2057 3.2057 3.2219 3.2219 3.2245 3.2245 3.2466 3.2466 4.6257 4.6257 4.6361 4.6361 4.6560 4.6560 4.6658 4.6658 8.4707 8.4707 8.5006 8.5006 8.5048 8.5048 8.5187 8.5187 k = 0.5000 0.1719 0.1734 ( 4692 PWs) bands (ev): -6.5314 -6.5314 -6.5310 -6.5310 -6.5291 -6.5291 -6.5285 -6.5285 -2.1239 -2.1239 -2.1239 -2.1239 -2.1212 -2.1212 -2.1211 -2.1211 2.0447 2.0447 2.0489 2.0489 2.0598 2.0598 2.0739 2.0739 3.1456 3.1456 3.1612 3.1612 3.1656 3.1656 3.1872 3.1872 4.6144 4.6144 4.6238 4.6238 4.6449 4.6449 4.6548 4.6548 8.5648 8.5648 8.5954 8.5954 8.6018 8.6018 8.6177 8.6177 k = 0.5000 0.1834 0.1734 ( 4688 PWs) bands (ev): -6.5220 -6.5220 -6.5216 -6.5216 -6.5195 -6.5195 -6.5190 -6.5190 -2.1087 -2.1087 -2.1087 -2.1087 -2.1059 -2.1059 -2.1057 -2.1057 1.9787 1.9787 1.9825 1.9825 1.9936 1.9936 2.0078 2.0078 3.0821 3.0821 3.0970 3.0970 3.1030 3.1030 3.1242 3.1242 4.6051 4.6051 4.6137 4.6137 4.6357 4.6357 4.6454 4.6454 8.6577 8.6577 8.6891 8.6891 8.6982 8.6982 8.7159 8.7159 k = 0.5000 0.1948 0.1734 ( 4692 PWs) bands (ev): -6.5123 -6.5123 -6.5119 -6.5119 -6.5097 -6.5097 -6.5091 -6.5091 -2.0932 -2.0932 -2.0931 -2.0931 -2.0901 -2.0901 -2.0899 -2.0899 1.9145 1.9145 1.9180 1.9180 1.9293 1.9293 1.9436 1.9436 3.0157 3.0157 3.0298 3.0298 3.0374 3.0374 3.0582 3.0582 4.5980 4.5980 4.6057 4.6057 4.6286 4.6286 4.6380 4.6380 8.7460 8.7460 8.7779 8.7779 8.7902 8.7902 8.8095 8.8095 k = 0.5000 0.2063 0.1734 ( 4700 PWs) bands (ev): -6.5024 -6.5024 -6.5021 -6.5021 -6.4997 -6.4997 -6.4991 -6.4991 -2.0773 -2.0773 -2.0772 -2.0772 -2.0741 -2.0741 -2.0738 -2.0738 1.8527 1.8527 1.8559 1.8559 1.8672 1.8672 1.8816 1.8816 2.9469 2.9469 2.9602 2.9602 2.9692 2.9692 2.9895 2.9895 4.5931 4.5931 4.6000 4.6000 4.6235 4.6235 4.6325 4.6325 8.8255 8.8255 8.8574 8.8574 8.8735 8.8735 8.8938 8.8938 k = 0.5000 0.2178 0.1734 ( 4704 PWs) bands (ev): -6.4925 -6.4925 -6.4921 -6.4921 -6.4896 -6.4896 -6.4890 -6.4890 -2.0614 -2.0614 -2.0612 -2.0612 -2.0580 -2.0580 -2.0577 -2.0577 1.7937 1.7937 1.7966 1.7966 1.8080 1.8080 1.8224 1.8224 2.8762 2.8762 2.8886 2.8886 2.8989 2.8989 2.9188 2.9188 4.5902 4.5902 4.5964 4.5964 4.6205 4.6205 4.6290 4.6290 8.8925 8.8925 8.9232 8.9232 8.9434 8.9434 8.9638 8.9638 k = 0.5000 0.2292 0.1734 ( 4716 PWs) bands (ev): -6.4824 -6.4824 -6.4821 -6.4821 -6.4794 -6.4794 -6.4789 -6.4789 -2.0454 -2.0454 -2.0451 -2.0451 -2.0418 -2.0418 -2.0415 -2.0415 1.7378 1.7378 1.7404 1.7404 1.7518 1.7518 1.7663 1.7663 2.8042 2.8042 2.8157 2.8157 2.8272 2.8272 2.8466 2.8466 4.5893 4.5893 4.5948 4.5948 4.6193 4.6193 4.6273 4.6273 8.9440 8.9440 8.9724 8.9724 8.9964 8.9964 9.0160 9.0160 k = 0.5000 0.2407 0.1734 ( 4720 PWs) bands (ev): -6.4725 -6.4725 -6.4722 -6.4722 -6.4693 -6.4693 -6.4688 -6.4688 -2.0295 -2.0295 -2.0291 -2.0291 -2.0257 -2.0257 -2.0253 -2.0253 1.6854 1.6854 1.6877 1.6877 1.6991 1.6991 1.7135 1.7135 2.7314 2.7314 2.7421 2.7421 2.7548 2.7548 2.7737 2.7737 4.5901 4.5901 4.5950 4.5950 4.6198 4.6198 4.6273 4.6273 8.9791 8.9791 9.0042 9.0042 9.0313 9.0313 9.0492 9.0492 k = 0.5000 0.2521 0.1734 ( 4720 PWs) bands (ev): -6.4626 -6.4626 -6.4623 -6.4623 -6.4593 -6.4593 -6.4589 -6.4589 -2.0137 -2.0137 -2.0134 -2.0134 -2.0099 -2.0099 -2.0095 -2.0095 1.6366 1.6366 1.6387 1.6387 1.6500 1.6500 1.6644 1.6644 2.6584 2.6584 2.6683 2.6683 2.6821 2.6821 2.7005 2.7005 4.5924 4.5924 4.5968 4.5968 4.6219 4.6219 4.6288 4.6288 8.9990 8.9990 9.0206 9.0206 9.0498 9.0498 9.0655 9.0655 k = 0.5000 0.2636 0.1734 ( 4720 PWs) bands (ev): -6.4529 -6.4529 -6.4527 -6.4527 -6.4495 -6.4495 -6.4491 -6.4491 -1.9984 -1.9984 -1.9980 -1.9980 -1.9943 -1.9943 -1.9939 -1.9939 1.5918 1.5918 1.5937 1.5937 1.6049 1.6049 1.6192 1.6192 2.5859 2.5859 2.5950 2.5950 2.6098 2.6098 2.6278 2.6278 4.5960 4.5960 4.5999 4.5999 4.6251 4.6251 4.6315 4.6315 9.0064 9.0064 9.0244 9.0244 9.0550 9.0550 9.0684 9.0684 k = 0.5000 0.2751 0.1734 ( 4724 PWs) bands (ev): -6.4435 -6.4435 -6.4433 -6.4433 -6.4400 -6.4400 -6.4396 -6.4396 -1.9835 -1.9835 -1.9830 -1.9830 -1.9793 -1.9793 -1.9789 -1.9789 1.5512 1.5512 1.5529 1.5529 1.5639 1.5639 1.5781 1.5781 2.5143 2.5143 2.5226 2.5226 2.5385 2.5385 2.5559 2.5559 4.6006 4.6006 4.6041 4.6041 4.6295 4.6295 4.6353 4.6353 9.0043 9.0043 9.0191 9.0191 9.0504 9.0504 9.0618 9.0618 k = 0.5000 0.2865 0.1734 ( 4720 PWs) bands (ev): -6.4344 -6.4344 -6.4342 -6.4342 -6.4308 -6.4308 -6.4304 -6.4304 -1.9692 -1.9692 -1.9687 -1.9687 -1.9649 -1.9649 -1.9644 -1.9644 1.5148 1.5148 1.5163 1.5163 1.5272 1.5272 1.5412 1.5412 2.4442 2.4442 2.4518 2.4518 2.4688 2.4688 2.4856 2.4856 4.6061 4.6061 4.6091 4.6091 4.6346 4.6346 4.6399 4.6399 8.9953 8.9953 9.0075 9.0075 9.0392 9.0392 9.0487 9.0487 k = 0.5000 0.2980 0.1734 ( 4712 PWs) bands (ev): -6.4258 -6.4258 -6.4256 -6.4256 -6.4220 -6.4220 -6.4216 -6.4216 -1.9555 -1.9555 -1.9550 -1.9550 -1.9511 -1.9511 -1.9507 -1.9507 1.4827 1.4827 1.4840 1.4840 1.4947 1.4947 1.5085 1.5085 2.3762 2.3762 2.3831 2.3831 2.4011 2.4011 2.4173 2.4173 4.6121 4.6121 4.6147 4.6147 4.6403 4.6403 4.6451 4.6451 8.9819 8.9819 8.9918 8.9918 9.0237 9.0237 9.0317 9.0317 k = 0.5000 0.3095 0.1734 ( 4708 PWs) bands (ev): -6.4176 -6.4176 -6.4174 -6.4174 -6.4137 -6.4137 -6.4134 -6.4134 -1.9427 -1.9427 -1.9422 -1.9422 -1.9382 -1.9382 -1.9377 -1.9377 1.4549 1.4549 1.4561 1.4561 1.4666 1.4666 1.4800 1.4800 2.3108 2.3108 2.3170 2.3170 2.3361 2.3361 2.3517 2.3517 4.6184 4.6184 4.6207 4.6207 4.6463 4.6463 4.6507 4.6507 8.9658 8.9658 8.9739 8.9739 9.0057 9.0057 9.0125 9.0125 k = 0.5000 0.3209 0.1734 ( 4716 PWs) bands (ev): -6.4099 -6.4099 -6.4098 -6.4098 -6.4059 -6.4059 -6.4056 -6.4056 -1.9308 -1.9308 -1.9303 -1.9303 -1.9262 -1.9262 -1.9257 -1.9257 1.4314 1.4314 1.4325 1.4325 1.4428 1.4428 1.4558 1.4558 2.2485 2.2485 2.2541 2.2541 2.2744 2.2744 2.2892 2.2892 4.6249 4.6249 4.6269 4.6269 4.6525 4.6525 4.6564 4.6564 8.9483 8.9483 8.9549 8.9549 8.9868 8.9868 8.9924 8.9924 k = 0.5000 0.3324 0.1734 ( 4720 PWs) bands (ev): -6.4029 -6.4029 -6.4028 -6.4028 -6.3988 -6.3988 -6.3985 -6.3985 -1.9199 -1.9199 -1.9194 -1.9194 -1.9152 -1.9152 -1.9148 -1.9148 1.4121 1.4121 1.4130 1.4130 1.4232 1.4232 1.4355 1.4355 2.1901 2.1901 2.1950 2.1950 2.2166 2.2166 2.2305 2.2305 4.6312 4.6312 4.6329 4.6329 4.6587 4.6587 4.6620 4.6620 8.9305 8.9305 8.9359 8.9359 8.9678 8.9678 8.9724 8.9724 k = 0.5000 0.3438 0.1734 ( 4720 PWs) bands (ev): -6.3965 -6.3965 -6.3964 -6.3964 -6.3924 -6.3924 -6.3921 -6.3921 -1.9100 -1.9100 -1.9096 -1.9096 -1.9053 -1.9053 -1.9049 -1.9049 1.3967 1.3967 1.3975 1.3975 1.4075 1.4075 1.4191 1.4191 2.1359 2.1359 2.1402 2.1402 2.1632 2.1632 2.1761 2.1761 4.6373 4.6373 4.6387 4.6387 4.6645 4.6645 4.6675 4.6675 8.9133 8.9133 8.9177 8.9177 8.9495 8.9495 8.9534 8.9534 k = 0.5000 0.3553 0.1734 ( 4716 PWs) bands (ev): -6.3909 -6.3909 -6.3908 -6.3908 -6.3867 -6.3867 -6.3865 -6.3865 -1.9014 -1.9014 -1.9010 -1.9010 -1.8965 -1.8965 -1.8962 -1.8962 1.3848 1.3848 1.3856 1.3856 1.3955 1.3955 1.4061 1.4061 2.0869 2.0869 2.0906 2.0906 2.1150 2.1150 2.1267 2.1267 4.6429 4.6429 4.6441 4.6441 4.6700 4.6700 4.6725 4.6725 8.8974 8.8974 8.9008 8.9008 8.9327 8.9327 8.9359 8.9359 k = 0.5000 0.3668 0.1734 ( 4724 PWs) bands (ev): -6.3860 -6.3860 -6.3860 -6.3860 -6.3817 -6.3817 -6.3816 -6.3816 -1.8939 -1.8939 -1.8936 -1.8936 -1.8890 -1.8890 -1.8887 -1.8887 1.3762 1.3762 1.3769 1.3769 1.3868 1.3868 1.3962 1.3962 2.0435 2.0435 2.0466 2.0466 2.0727 2.0727 2.0830 2.0830 4.6480 4.6480 4.6490 4.6490 4.6750 4.6750 4.6770 4.6770 8.8831 8.8831 8.8858 8.8858 8.9178 8.9178 8.9203 8.9203 k = 0.5000 0.3782 0.1734 ( 4724 PWs) bands (ev): -6.3820 -6.3820 -6.3819 -6.3819 -6.3776 -6.3776 -6.3775 -6.3775 -1.8877 -1.8877 -1.8875 -1.8875 -1.8828 -1.8828 -1.8826 -1.8826 1.3703 1.3703 1.3709 1.3709 1.3810 1.3810 1.3890 1.3890 2.0066 2.0066 2.0091 2.0091 2.0369 2.0369 2.0456 2.0456 4.6523 4.6523 4.6531 4.6531 4.6792 4.6792 4.6808 4.6808 8.8710 8.8710 8.8730 8.8730 8.9051 8.9051 8.9071 8.9071 k = 0.5000 0.3897 0.1734 ( 4732 PWs) bands (ev): -6.3788 -6.3788 -6.3788 -6.3788 -6.3744 -6.3744 -6.3743 -6.3743 -1.8829 -1.8829 -1.8827 -1.8827 -1.8780 -1.8780 -1.8778 -1.8778 1.3666 1.3666 1.3671 1.3671 1.3775 1.3775 1.3838 1.3838 1.9770 1.9770 1.9789 1.9789 2.0084 2.0084 2.0152 2.0152 4.6558 4.6558 4.6564 4.6564 4.6827 4.6827 4.6839 4.6839 8.8613 8.8613 8.8628 8.8628 8.8951 8.8951 8.8965 8.8965 k = 0.5000 0.4011 0.1734 ( 4728 PWs) bands (ev): -6.3765 -6.3765 -6.3765 -6.3765 -6.3721 -6.3721 -6.3720 -6.3720 -1.8794 -1.8794 -1.8792 -1.8792 -1.8744 -1.8744 -1.8743 -1.8743 1.3645 1.3645 1.3648 1.3648 1.3759 1.3759 1.3802 1.3802 1.9552 1.9552 1.9565 1.9565 1.9879 1.9879 1.9925 1.9925 4.6584 4.6584 4.6587 4.6587 4.6853 4.6853 4.6861 4.6861 8.8542 8.8542 8.8552 8.8552 8.8878 8.8878 8.8887 8.8887 k = 0.5000 0.4126 0.1734 ( 4736 PWs) bands (ev): -6.3751 -6.3751 -6.3751 -6.3751 -6.3707 -6.3707 -6.3706 -6.3706 -1.8773 -1.8773 -1.8772 -1.8772 -1.8723 -1.8723 -1.8722 -1.8722 1.3635 1.3635 1.3637 1.3637 1.3756 1.3756 1.3778 1.3778 1.9421 1.9421 1.9427 1.9427 1.9758 1.9758 1.9782 1.9782 4.6600 4.6600 4.6602 4.6602 4.6869 4.6869 4.6873 4.6873 8.8500 8.8500 8.8505 8.8505 8.8834 8.8834 8.8839 8.8839 k = 0.5000 0.4241 0.1734 ( 4728 PWs) bands (ev): -6.3747 -6.3747 -6.3747 -6.3747 -6.3702 -6.3702 -6.3702 -6.3702 -1.8765 -1.8765 -1.8765 -1.8765 -1.8716 -1.8716 -1.8716 -1.8716 1.3633 1.3633 1.3633 1.3633 1.3763 1.3763 1.3763 1.3763 1.9378 1.9378 1.9378 1.9378 1.9725 1.9725 1.9725 1.9725 4.6606 4.6606 4.6606 4.6606 4.6876 4.6876 4.6876 4.6876 8.8488 8.8488 8.8488 8.8488 8.8821 8.8821 8.8821 8.8821 k = 0.5000 0.4241 0.1734 ( 4728 PWs) bands (ev): -6.3747 -6.3747 -6.3747 -6.3747 -6.3702 -6.3702 -6.3702 -6.3702 -1.8765 -1.8765 -1.8765 -1.8765 -1.8716 -1.8716 -1.8716 -1.8716 1.3633 1.3633 1.3633 1.3633 1.3763 1.3763 1.3763 1.3763 1.9378 1.9378 1.9378 1.9378 1.9725 1.9725 1.9725 1.9725 4.6606 4.6606 4.6606 4.6606 4.6876 4.6876 4.6876 4.6876 8.8488 8.8488 8.8488 8.8488 8.8821 8.8821 8.8821 8.8821 k = 0.4886 0.4241 0.1734 ( 4740 PWs) bands (ev): -6.3868 -6.3868 -6.3868 -6.3868 -6.3608 -6.3608 -6.3608 -6.3608 -1.8999 -1.8999 -1.8999 -1.8999 -1.8456 -1.8456 -1.8456 -1.8456 1.3309 1.3309 1.3309 1.3309 1.3984 1.3984 1.3984 1.3984 1.9252 1.9252 1.9252 1.9252 2.0030 2.0030 2.0030 2.0030 4.6484 4.6484 4.6484 4.6484 4.6982 4.6982 4.6982 4.6982 8.8255 8.8255 8.8255 8.8255 8.9099 8.9099 8.9099 8.9099 k = 0.4773 0.4241 0.1734 ( 4732 PWs) bands (ev): -6.4036 -6.4036 -6.4036 -6.4036 -6.3522 -6.3522 -6.3522 -6.3522 -1.9229 -1.9229 -1.9229 -1.9229 -1.8147 -1.8147 -1.8147 -1.8147 1.2879 1.2879 1.2879 1.2879 1.4107 1.4107 1.4107 1.4107 1.9240 1.9240 1.9240 1.9240 2.0575 2.0575 2.0575 2.0575 4.6272 4.6272 4.6272 4.6272 4.7150 4.7150 4.7150 4.7150 8.7950 8.7950 8.7950 8.7950 8.9535 8.9535 8.9535 8.9535 k = 0.4659 0.4241 0.1734 ( 4732 PWs) bands (ev): -6.4229 -6.4229 -6.4229 -6.4229 -6.3464 -6.3464 -6.3464 -6.3464 -1.9433 -1.9433 -1.9433 -1.9433 -1.7813 -1.7813 -1.7813 -1.7813 1.2435 1.2435 1.2435 1.2435 1.4057 1.4057 1.4057 1.4057 1.9466 1.9466 1.9466 1.9466 2.1218 2.1218 2.1218 2.1218 4.6036 4.6036 4.6036 4.6036 4.7313 4.7313 4.7313 4.7313 8.7681 8.7681 8.7681 8.7681 9.0023 9.0023 9.0023 9.0023 k = 0.4545 0.4241 0.1734 ( 4732 PWs) bands (ev): -6.4446 -6.4446 -6.4446 -6.4446 -6.3434 -6.3434 -6.3434 -6.3434 -1.9612 -1.9612 -1.9612 -1.9612 -1.7458 -1.7458 -1.7458 -1.7458 1.2005 1.2005 1.2005 1.2005 1.3863 1.3863 1.3863 1.3863 1.9911 1.9911 1.9911 1.9911 2.1926 2.1926 2.1926 2.1926 4.5787 4.5787 4.5787 4.5787 4.7463 4.7463 4.7463 4.7463 8.7454 8.7454 8.7454 8.7454 9.0553 9.0553 9.0553 9.0553 k = 0.4432 0.4241 0.1734 ( 4728 PWs) bands (ev): -6.4685 -6.4685 -6.4685 -6.4685 -6.3432 -6.3432 -6.3432 -6.3432 -1.9769 -1.9769 -1.9769 -1.9769 -1.7084 -1.7084 -1.7084 -1.7084 1.1606 1.1606 1.1606 1.1606 1.3577 1.3577 1.3577 1.3577 2.0523 2.0523 2.0523 2.0523 2.2679 2.2679 2.2679 2.2679 4.5528 4.5528 4.5528 4.5528 4.7599 4.7599 4.7599 4.7599 8.7270 8.7270 8.7270 8.7270 9.1121 9.1121 9.1121 9.1121 k = 0.4318 0.4241 0.1734 ( 4720 PWs) bands (ev): -6.4945 -6.4945 -6.4945 -6.4945 -6.3458 -6.3458 -6.3458 -6.3458 -1.9905 -1.9905 -1.9905 -1.9905 -1.6695 -1.6695 -1.6695 -1.6695 1.1251 1.1251 1.1251 1.1251 1.3250 1.3250 1.3250 1.3250 2.1254 2.1254 2.1254 2.1254 2.3464 2.3464 2.3464 2.3464 4.5264 4.5264 4.5264 4.5264 4.7721 4.7721 4.7721 4.7721 8.7129 8.7129 8.7129 8.7129 9.1723 9.1723 9.1723 9.1723 k = 0.4205 0.4241 0.1734 ( 4724 PWs) bands (ev): -6.5223 -6.5223 -6.5223 -6.5223 -6.3510 -6.3510 -6.3510 -6.3510 -2.0023 -2.0023 -2.0023 -2.0023 -1.6296 -1.6296 -1.6296 -1.6296 1.0948 1.0948 1.0948 1.0948 1.2918 1.2918 1.2918 1.2918 2.2069 2.2069 2.2069 2.2069 2.4271 2.4271 2.4271 2.4271 4.4998 4.4998 4.4998 4.4998 4.7833 4.7833 4.7833 4.7833 8.7030 8.7030 8.7030 8.7030 9.2357 9.2357 9.2357 9.2357 k = 0.4091 0.4241 0.1734 ( 4724 PWs) bands (ev): -6.5518 -6.5518 -6.5518 -6.5518 -6.3588 -6.3588 -6.3588 -6.3588 -2.0127 -2.0127 -2.0127 -2.0127 -1.5891 -1.5891 -1.5891 -1.5891 1.0706 1.0706 1.0706 1.0706 1.2605 1.2605 1.2605 1.2605 2.2944 2.2944 2.2944 2.2944 2.5092 2.5092 2.5092 2.5092 4.4735 4.4735 4.4735 4.4735 4.7934 4.7934 4.7934 4.7934 8.6971 8.6971 8.6971 8.6971 9.3017 9.3017 9.3017 9.3017 k = 0.3977 0.4241 0.1734 ( 4724 PWs) bands (ev): -6.5827 -6.5827 -6.5827 -6.5827 -6.3690 -6.3690 -6.3690 -6.3690 -2.0221 -2.0221 -2.0221 -2.0221 -1.5487 -1.5487 -1.5487 -1.5487 1.0529 1.0529 1.0529 1.0529 1.2329 1.2329 1.2329 1.2329 2.3863 2.3863 2.3863 2.3863 2.5921 2.5921 2.5921 2.5921 4.4477 4.4477 4.4477 4.4477 4.8030 4.8030 4.8030 4.8030 8.6950 8.6950 8.6950 8.6950 9.3701 9.3701 9.3701 9.3701 k = 0.3864 0.4241 0.1734 ( 4720 PWs) bands (ev): -6.6149 -6.6149 -6.6149 -6.6149 -6.3815 -6.3815 -6.3815 -6.3815 -2.0307 -2.0307 -2.0307 -2.0307 -1.5089 -1.5089 -1.5089 -1.5089 1.0421 1.0421 1.0421 1.0421 1.2103 1.2103 1.2103 1.2103 2.4813 2.4813 2.4813 2.4813 2.6751 2.6751 2.6751 2.6751 4.4231 4.4231 4.4231 4.4231 4.8123 4.8123 4.8123 4.8123 8.6963 8.6963 8.6963 8.6963 9.4404 9.4404 9.4404 9.4404 k = 0.3750 0.4241 0.1734 ( 4716 PWs) bands (ev): -6.6481 -6.6481 -6.6481 -6.6481 -6.3961 -6.3961 -6.3961 -6.3961 -2.0390 -2.0390 -2.0390 -2.0390 -1.4703 -1.4703 -1.4703 -1.4703 1.0388 1.0388 1.0388 1.0388 1.1938 1.1938 1.1938 1.1938 2.5783 2.5783 2.5783 2.5783 2.7577 2.7577 2.7577 2.7577 4.4002 4.4002 4.4002 4.4002 4.8218 4.8218 4.8218 4.8218 8.7009 8.7009 8.7009 8.7009 9.5121 9.5121 9.5121 9.5121 k = 0.3636 0.4241 0.1734 ( 4712 PWs) bands (ev): -6.6822 -6.6822 -6.6822 -6.6822 -6.4126 -6.4126 -6.4126 -6.4126 -2.0473 -2.0473 -2.0473 -2.0473 -1.4335 -1.4335 -1.4335 -1.4335 1.0432 1.0432 1.0432 1.0432 1.1841 1.1841 1.1841 1.1841 2.6763 2.6763 2.6763 2.6763 2.8392 2.8392 2.8392 2.8392 4.3797 4.3797 4.3797 4.3797 4.8319 4.8319 4.8319 4.8319 8.7084 8.7084 8.7084 8.7084 9.5846 9.5846 9.5846 9.5846 k = 0.3523 0.4241 0.1734 ( 4716 PWs) bands (ev): -6.7169 -6.7169 -6.7169 -6.7169 -6.4308 -6.4308 -6.4308 -6.4308 -2.0558 -2.0558 -2.0558 -2.0558 -1.3992 -1.3992 -1.3992 -1.3992 1.0554 1.0554 1.0554 1.0554 1.1820 1.1820 1.1820 1.1820 2.7741 2.7741 2.7741 2.7741 2.9190 2.9190 2.9190 2.9190 4.3625 4.3625 4.3625 4.3625 4.8432 4.8432 4.8432 4.8432 8.7184 8.7184 8.7184 8.7184 9.6573 9.6573 9.6573 9.6573 k = 0.3409 0.4241 0.1734 ( 4716 PWs) bands (ev): -6.7522 -6.7522 -6.7522 -6.7522 -6.4505 -6.4505 -6.4505 -6.4505 -2.0649 -2.0649 -2.0649 -2.0649 -1.3679 -1.3679 -1.3679 -1.3679 1.0756 1.0756 1.0756 1.0756 1.1880 1.1880 1.1880 1.1880 2.8706 2.8706 2.8706 2.8706 2.9965 2.9965 2.9965 2.9965 4.3495 4.3495 4.3495 4.3495 4.8563 4.8563 4.8563 4.8563 8.7307 8.7307 8.7307 8.7307 9.7295 9.7295 9.7295 9.7295 k = 0.3295 0.4241 0.1734 ( 4716 PWs) bands (ev): -6.7877 -6.7877 -6.7877 -6.7877 -6.4716 -6.4716 -6.4716 -6.4716 -2.0747 -2.0747 -2.0747 -2.0747 -1.3400 -1.3400 -1.3400 -1.3400 1.1038 1.1038 1.1038 1.1038 1.2026 1.2026 1.2026 1.2026 2.9642 2.9642 2.9642 2.9642 3.0711 3.0711 3.0711 3.0711 4.3421 4.3421 4.3421 4.3421 4.8718 4.8718 4.8718 4.8718 8.7449 8.7449 8.7449 8.7449 9.8004 9.8004 9.8004 9.8004 k = 0.3182 0.4241 0.1734 ( 4700 PWs) bands (ev): -6.8233 -6.8233 -6.8233 -6.8233 -6.4937 -6.4937 -6.4937 -6.4937 -2.0855 -2.0855 -2.0855 -2.0855 -1.3159 -1.3159 -1.3159 -1.3159 1.1401 1.1401 1.1401 1.1401 1.2260 1.2260 1.2260 1.2260 3.0535 3.0535 3.0535 3.0535 3.1423 3.1423 3.1423 3.1423 4.3416 4.3416 4.3416 4.3416 4.8902 4.8902 4.8902 4.8902 8.7607 8.7607 8.7607 8.7607 9.8686 9.8686 9.8686 9.8686 k = 0.3068 0.4241 0.1734 ( 4692 PWs) bands (ev): -6.8590 -6.8590 -6.8590 -6.8590 -6.5167 -6.5167 -6.5167 -6.5167 -2.0972 -2.0972 -2.0972 -2.0972 -1.2958 -1.2958 -1.2958 -1.2958 1.1843 1.1843 1.1843 1.1843 1.2583 1.2583 1.2583 1.2583 3.1364 3.1364 3.1364 3.1364 3.2096 3.2096 3.2096 3.2096 4.3498 4.3498 4.3498 4.3498 4.9121 4.9121 4.9121 4.9121 8.7777 8.7777 8.7777 8.7777 9.9329 9.9329 9.9329 9.9329 k = 0.2955 0.4241 0.1734 ( 4688 PWs) bands (ev): -6.8944 -6.8944 -6.8944 -6.8944 -6.5405 -6.5405 -6.5405 -6.5405 -2.1100 -2.1100 -2.1100 -2.1100 -1.2799 -1.2799 -1.2799 -1.2799 1.2362 1.2362 1.2362 1.2362 1.2995 1.2995 1.2995 1.2995 3.2112 3.2112 3.2112 3.2112 3.2723 3.2723 3.2723 3.2723 4.3683 4.3683 4.3683 4.3683 4.9380 4.9380 4.9380 4.9380 8.7957 8.7957 8.7957 8.7957 9.9912 9.9912 9.9912 9.9912 k = 0.2841 0.4241 0.1734 ( 4692 PWs) bands (ev): -6.9295 -6.9295 -6.9295 -6.9295 -6.5648 -6.5648 -6.5648 -6.5648 -2.1239 -2.1239 -2.1239 -2.1239 -1.2680 -1.2680 -1.2680 -1.2680 1.2956 1.2956 1.2956 1.2956 1.3493 1.3493 1.3493 1.3493 3.2764 3.2764 3.2764 3.2764 3.3297 3.3297 3.3297 3.3297 4.3990 4.3990 4.3990 4.3990 4.9682 4.9682 4.9682 4.9682 8.8144 8.8144 8.8144 8.8144 10.0402 10.0402 10.0402 10.0402 k = 0.2727 0.4241 0.1734 ( 4684 PWs) bands (ev): -6.9641 -6.9641 -6.9641 -6.9641 -6.5894 -6.5894 -6.5894 -6.5894 -2.1387 -2.1387 -2.1387 -2.1387 -1.2602 -1.2602 -1.2602 -1.2602 1.3622 1.3622 1.3622 1.3622 1.4075 1.4075 1.4075 1.4075 3.3314 3.3314 3.3314 3.3314 3.3809 3.3809 3.3809 3.3809 4.4428 4.4428 4.4428 4.4428 5.0030 5.0030 5.0030 5.0030 8.8335 8.8335 8.8335 8.8335 10.0753 10.0753 10.0753 10.0753 k = 0.2614 0.4241 0.1734 ( 4680 PWs) bands (ev): -6.9981 -6.9981 -6.9981 -6.9981 -6.6142 -6.6142 -6.6142 -6.6142 -2.1543 -2.1543 -2.1543 -2.1543 -1.2561 -1.2561 -1.2561 -1.2561 1.4356 1.4356 1.4356 1.4356 1.4734 1.4734 1.4734 1.4734 3.3766 3.3766 3.3766 3.3766 3.4248 3.4248 3.4248 3.4248 4.5002 4.5002 4.5002 4.5002 5.0424 5.0424 5.0424 5.0424 8.8528 8.8528 8.8528 8.8528 10.0891 10.0891 10.0891 10.0891 k = 0.2500 0.4241 0.1734 ( 4680 PWs) bands (ev): -7.0314 -7.0314 -7.0314 -7.0314 -6.6390 -6.6390 -6.6390 -6.6390 -2.1708 -2.1708 -2.1708 -2.1708 -1.2553 -1.2553 -1.2553 -1.2553 1.5153 1.5153 1.5153 1.5153 1.5466 1.5466 1.5466 1.5466 3.4126 3.4126 3.4126 3.4126 3.4615 3.4615 3.4615 3.4615 4.5706 4.5706 4.5706 4.5706 5.0862 5.0862 5.0862 5.0862 8.8717 8.8717 8.8717 8.8717 10.0731 10.0731 10.0731 10.0731 k = 0.2386 0.4241 0.1734 ( 4680 PWs) bands (ev): -7.0639 -7.0639 -7.0639 -7.0639 -6.6636 -6.6636 -6.6636 -6.6636 -2.1879 -2.1879 -2.1879 -2.1879 -1.2576 -1.2576 -1.2576 -1.2576 1.6010 1.6010 1.6010 1.6010 1.6263 1.6263 1.6263 1.6263 3.4400 3.4400 3.4400 3.4400 3.4917 3.4917 3.4917 3.4917 4.6524 4.6524 4.6524 4.6524 5.1340 5.1340 5.1340 5.1340 8.8900 8.8900 8.8900 8.8900 10.0230 10.0230 10.0230 10.0230 k = 0.2273 0.4241 0.1734 ( 4692 PWs) bands (ev): -7.0955 -7.0955 -7.0955 -7.0955 -6.6880 -6.6880 -6.6880 -6.6880 -2.2054 -2.2054 -2.2054 -2.2054 -1.2626 -1.2626 -1.2626 -1.2626 1.6919 1.6919 1.6919 1.6919 1.7119 1.7119 1.7119 1.7119 3.4600 3.4600 3.4600 3.4600 3.5162 3.5162 3.5162 3.5162 4.7439 4.7439 4.7439 4.7439 5.1852 5.1852 5.1852 5.1852 8.9070 8.9070 8.9070 8.9070 9.9432 9.9432 9.9432 9.9432 k = 0.2159 0.4241 0.1734 ( 4700 PWs) bands (ev): -7.1261 -7.1261 -7.1261 -7.1261 -6.7119 -6.7119 -6.7119 -6.7119 -2.2233 -2.2233 -2.2233 -2.2233 -1.2697 -1.2697 -1.2697 -1.2697 1.7871 1.7871 1.7871 1.7871 1.8030 1.8030 1.8030 1.8030 3.4742 3.4742 3.4742 3.4742 3.5360 3.5360 3.5360 3.5360 4.8430 4.8430 4.8430 4.8430 5.2392 5.2392 5.2392 5.2392 8.9217 8.9217 8.9217 8.9217 9.8422 9.8422 9.8422 9.8422 k = 0.2045 0.4241 0.1734 ( 4688 PWs) bands (ev): -7.1555 -7.1555 -7.1555 -7.1555 -6.7353 -6.7353 -6.7353 -6.7353 -2.2413 -2.2413 -2.2413 -2.2413 -1.2786 -1.2786 -1.2786 -1.2786 1.8848 1.8848 1.8848 1.8848 1.8999 1.8999 1.8999 1.8999 3.4845 3.4845 3.4845 3.4845 3.5517 3.5517 3.5517 3.5517 4.9476 4.9476 4.9476 4.9476 5.2950 5.2950 5.2950 5.2950 8.9325 8.9325 8.9325 8.9325 9.7276 9.7276 9.7276 9.7276 k = 0.1932 0.4241 0.1734 ( 4680 PWs) bands (ev): -7.1838 -7.1838 -7.1838 -7.1838 -6.7580 -6.7580 -6.7580 -6.7580 -2.2593 -2.2593 -2.2593 -2.2593 -1.2889 -1.2889 -1.2889 -1.2889 1.9831 1.9831 1.9831 1.9831 2.0027 2.0027 2.0027 2.0027 3.4924 3.4924 3.4924 3.4924 3.5637 3.5637 3.5637 3.5637 5.0559 5.0559 5.0559 5.0559 5.3518 5.3518 5.3518 5.3518 8.9362 8.9362 8.9362 8.9362 9.6060 9.6060 9.6060 9.6060 k = 0.1818 0.4241 0.1734 ( 4680 PWs) bands (ev): -7.2108 -7.2108 -7.2108 -7.2108 -6.7799 -6.7799 -6.7799 -6.7799 -2.2770 -2.2770 -2.2770 -2.2770 -1.3002 -1.3002 -1.3002 -1.3002 2.0815 2.0815 2.0815 2.0815 2.1104 2.1104 2.1104 2.1104 3.4997 3.4997 3.4997 3.4997 3.5726 3.5726 3.5726 3.5726 5.1663 5.1663 5.1663 5.1663 5.4086 5.4086 5.4086 5.4086 8.9275 8.9275 8.9275 8.9275 9.4826 9.4826 9.4826 9.4826 k = 0.1705 0.4241 0.1734 ( 4692 PWs) bands (ev): -7.2364 -7.2364 -7.2364 -7.2364 -6.8010 -6.8010 -6.8010 -6.8010 -2.2945 -2.2945 -2.2945 -2.2945 -1.3123 -1.3123 -1.3123 -1.3123 2.1793 2.1793 2.1793 2.1793 2.2215 2.2215 2.2215 2.2215 3.5078 3.5078 3.5078 3.5078 3.5790 3.5790 3.5790 3.5790 5.2770 5.2770 5.2770 5.2770 5.4643 5.4643 5.4643 5.4643 8.8985 8.8985 8.8985 8.8985 9.3604 9.3604 9.3604 9.3604 k = 0.1591 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.2607 -7.2607 -7.2607 -7.2607 -6.8210 -6.8210 -6.8210 -6.8210 -2.3114 -2.3114 -2.3114 -2.3114 -1.3247 -1.3247 -1.3247 -1.3247 2.2754 2.2754 2.2754 2.2754 2.3352 2.3352 2.3352 2.3352 3.5179 3.5179 3.5179 3.5179 3.5834 3.5834 3.5834 3.5834 5.3865 5.3865 5.3865 5.3865 5.5181 5.5181 5.5181 5.5181 8.8411 8.8411 8.8411 8.8411 9.2400 9.2400 9.2400 9.2400 k = 0.1477 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.2835 -7.2835 -7.2835 -7.2835 -6.8401 -6.8401 -6.8401 -6.8401 -2.3278 -2.3278 -2.3278 -2.3278 -1.3373 -1.3373 -1.3373 -1.3373 2.3683 2.3683 2.3683 2.3683 2.4504 2.4504 2.4504 2.4504 3.5311 3.5311 3.5311 3.5311 3.5867 3.5867 3.5867 3.5867 5.4932 5.4932 5.4932 5.4932 5.5691 5.5691 5.5691 5.5691 8.7549 8.7549 8.7549 8.7549 9.1222 9.1222 9.1222 9.1222 k = 0.1364 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.3049 -7.3049 -7.3049 -7.3049 -6.8580 -6.8580 -6.8580 -6.8580 -2.3434 -2.3434 -2.3434 -2.3434 -1.3498 -1.3498 -1.3498 -1.3498 2.4564 2.4564 2.4564 2.4564 2.5662 2.5662 2.5662 2.5662 3.5474 3.5474 3.5474 3.5474 3.5905 3.5905 3.5905 3.5905 5.5938 5.5938 5.5938 5.5938 5.6181 5.6181 5.6181 5.6181 8.6482 8.6482 8.6482 8.6482 9.0089 9.0089 9.0089 9.0089 k = 0.1250 0.4241 0.1734 ( 4692 PWs) bands (ev): -7.3247 -7.3247 -7.3247 -7.3247 -6.8747 -6.8747 -6.8747 -6.8747 -2.3581 -2.3581 -2.3581 -2.3581 -1.3619 -1.3619 -1.3619 -1.3619 2.5380 2.5380 2.5380 2.5380 2.6817 2.6817 2.6817 2.6817 3.5635 3.5635 3.5635 3.5635 3.5997 3.5997 3.5997 3.5997 5.6552 5.6552 5.6552 5.6552 5.6958 5.6958 5.6958 5.6958 8.5311 8.5311 8.5311 8.5311 8.9027 8.9027 8.9027 8.9027 k = 0.1136 0.4241 0.1734 ( 4700 PWs) bands (ev): -7.3429 -7.3429 -7.3429 -7.3429 -6.8901 -6.8901 -6.8901 -6.8901 -2.3719 -2.3719 -2.3719 -2.3719 -1.3736 -1.3736 -1.3736 -1.3736 2.6115 2.6115 2.6115 2.6115 2.7957 2.7957 2.7957 2.7957 3.5719 3.5719 3.5719 3.5719 3.6228 3.6228 3.6228 3.6228 5.6926 5.6926 5.6926 5.6926 5.7843 5.7843 5.7843 5.7843 8.4114 8.4114 8.4114 8.4114 8.8060 8.8060 8.8060 8.8060 k = 0.1023 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.3594 -7.3594 -7.3594 -7.3594 -6.9042 -6.9042 -6.9042 -6.9042 -2.3847 -2.3847 -2.3847 -2.3847 -1.3845 -1.3845 -1.3845 -1.3845 2.6758 2.6758 2.6758 2.6758 2.9070 2.9070 2.9070 2.9070 3.5743 3.5743 3.5743 3.5743 3.6589 3.6589 3.6589 3.6589 5.7231 5.7231 5.7231 5.7231 5.8644 5.8644 5.8644 5.8644 8.2942 8.2942 8.2942 8.2942 8.7214 8.7214 8.7214 8.7214 k = 0.0909 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.3743 -7.3743 -7.3743 -7.3743 -6.9170 -6.9170 -6.9170 -6.9170 -2.3963 -2.3963 -2.3963 -2.3963 -1.3947 -1.3947 -1.3947 -1.3947 2.7302 2.7302 2.7302 2.7302 3.0139 3.0139 3.0139 3.0139 3.5747 3.5747 3.5747 3.5747 3.7036 3.7036 3.7036 3.7036 5.7470 5.7470 5.7470 5.7470 5.9338 5.9338 5.9338 5.9338 8.1831 8.1831 8.1831 8.1831 8.6514 8.6514 8.6514 8.6514 k = 0.0795 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.3876 -7.3876 -7.3876 -7.3876 -6.9284 -6.9284 -6.9284 -6.9284 -2.4067 -2.4067 -2.4067 -2.4067 -1.4039 -1.4039 -1.4039 -1.4039 2.7747 2.7747 2.7747 2.7747 3.1148 3.1148 3.1148 3.1148 3.5751 3.5751 3.5751 3.5751 3.7539 3.7539 3.7539 3.7539 5.7642 5.7642 5.7642 5.7642 5.9915 5.9915 5.9915 5.9915 8.0807 8.0807 8.0807 8.0807 8.5977 8.5977 8.5977 8.5977 k = 0.0682 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.3991 -7.3991 -7.3991 -7.3991 -6.9383 -6.9383 -6.9383 -6.9383 -2.4158 -2.4158 -2.4158 -2.4158 -1.4121 -1.4121 -1.4121 -1.4121 2.8102 2.8102 2.8102 2.8102 3.2073 3.2073 3.2073 3.2073 3.5763 3.5763 3.5763 3.5763 3.8071 3.8071 3.8071 3.8071 5.7751 5.7751 5.7751 5.7751 6.0368 6.0368 6.0368 6.0368 7.9891 7.9891 7.9891 7.9891 8.5619 8.5619 8.5619 8.5619 k = 0.0568 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.4089 -7.4089 -7.4089 -7.4089 -6.9467 -6.9467 -6.9467 -6.9467 -2.4236 -2.4236 -2.4236 -2.4236 -1.4191 -1.4191 -1.4191 -1.4191 2.8376 2.8376 2.8376 2.8376 3.2890 3.2890 3.2890 3.2890 3.5792 3.5792 3.5792 3.5792 3.8602 3.8602 3.8602 3.8602 5.7803 5.7803 5.7803 5.7803 6.0699 6.0699 6.0699 6.0699 7.9098 7.9098 7.9098 7.9098 8.5441 8.5441 8.5441 8.5441 k = 0.0455 0.4241 0.1734 ( 4696 PWs) bands (ev): -7.4169 -7.4169 -7.4169 -7.4169 -6.9537 -6.9537 -6.9537 -6.9537 -2.4301 -2.4301 -2.4301 -2.4301 -1.4250 -1.4250 -1.4250 -1.4250 2.8582 2.8582 2.8582 2.8582 3.3568 3.3568 3.3568 3.3568 3.5848 3.5848 3.5848 3.5848 3.9098 3.9098 3.9098 3.9098 5.7812 5.7812 5.7812 5.7812 6.0922 6.0922 6.0922 6.0922 7.8439 7.8439 7.8439 7.8439 8.5431 8.5431 8.5431 8.5431 k = 0.0341 0.4241 0.1734 ( 4708 PWs) bands (ev): -7.4231 -7.4231 -7.4231 -7.4231 -6.9591 -6.9591 -6.9591 -6.9591 -2.4351 -2.4351 -2.4351 -2.4351 -1.4296 -1.4296 -1.4296 -1.4296 2.8730 2.8730 2.8730 2.8730 3.4078 3.4078 3.4078 3.4078 3.5939 3.5939 3.5939 3.5939 3.9526 3.9526 3.9526 3.9526 5.7791 5.7791 5.7791 5.7791 6.1057 6.1057 6.1057 6.1057 7.7921 7.7921 7.7921 7.7921 8.5561 8.5561 8.5561 8.5561 k = 0.0227 0.4241 0.1734 ( 4704 PWs) bands (ev): -7.4276 -7.4276 -7.4276 -7.4276 -6.9630 -6.9630 -6.9630 -6.9630 -2.4388 -2.4388 -2.4388 -2.4388 -1.4329 -1.4329 -1.4329 -1.4329 2.8829 2.8829 2.8829 2.8829 3.4411 3.4411 3.4411 3.4411 3.6054 3.6054 3.6054 3.6054 3.9857 3.9857 3.9857 3.9857 5.7759 5.7759 5.7759 5.7759 6.1128 6.1128 6.1128 6.1128 7.7550 7.7550 7.7550 7.7550 8.5774 8.5774 8.5774 8.5774 k = 0.0114 0.4241 0.1734 ( 4708 PWs) bands (ev): -7.4303 -7.4303 -7.4303 -7.4303 -6.9653 -6.9653 -6.9653 -6.9653 -2.4410 -2.4410 -2.4410 -2.4410 -1.4349 -1.4349 -1.4349 -1.4349 2.8885 2.8885 2.8885 2.8885 3.4588 3.4588 3.4588 3.4588 3.6153 3.6153 3.6153 3.6153 4.0066 4.0066 4.0066 4.0066 5.7733 5.7733 5.7733 5.7733 6.1160 6.1160 6.1160 6.1160 7.7327 7.7327 7.7327 7.7327 8.5982 8.5982 8.5982 8.5982 k = 0.0000 0.4241 0.1734 ( 4716 PWs) bands (ev): -7.4312 -7.4312 -7.4312 -7.4312 -6.9661 -6.9661 -6.9661 -6.9661 -2.4417 -2.4417 -2.4417 -2.4417 -1.4356 -1.4356 -1.4356 -1.4356 2.8904 2.8904 2.8904 2.8904 3.4642 3.4642 3.4642 3.4642 3.6193 3.6193 3.6193 3.6193 4.0137 4.0137 4.0137 4.0137 5.7722 5.7722 5.7722 5.7722 6.1168 6.1168 6.1168 6.1168 7.7252 7.7252 7.7252 7.7252 8.6072 8.6072 8.6072 8.6072 k = 0.0000 0.4241 0.1734 ( 4716 PWs) bands (ev): -7.4312 -7.4312 -7.4312 -7.4312 -6.9661 -6.9661 -6.9661 -6.9661 -2.4417 -2.4417 -2.4417 -2.4417 -1.4356 -1.4356 -1.4356 -1.4356 2.8904 2.8904 2.8904 2.8904 3.4642 3.4642 3.4642 3.4642 3.6193 3.6193 3.6193 3.6193 4.0137 4.0137 4.0137 4.0137 5.7722 5.7722 5.7722 5.7722 6.1168 6.1168 6.1168 6.1168 7.7252 7.7252 7.7252 7.7252 8.6072 8.6072 8.6072 8.6072 k = 0.0000 0.4126 0.1734 ( 4708 PWs) bands (ev): -7.4345 -7.4345 -7.4345 -7.4345 -6.9636 -6.9636 -6.9636 -6.9636 -2.4410 -2.4410 -2.4410 -2.4410 -1.4319 -1.4319 -1.4319 -1.4319 2.8826 2.8826 2.8826 2.8826 3.4720 3.4720 3.4720 3.4720 3.6165 3.6165 3.6165 3.6165 4.0155 4.0155 4.0155 4.0155 5.7576 5.7576 5.7576 5.7576 6.1251 6.1251 6.1251 6.1251 7.7267 7.7267 7.7267 7.7267 8.6087 8.6087 8.6087 8.6087 k = 0.0000 0.4011 0.1734 ( 4708 PWs) bands (ev): -7.4442 -7.4442 -7.4442 -7.4442 -6.9562 -6.9562 -6.9562 -6.9562 -2.4390 -2.4390 -2.4390 -2.4390 -1.4207 -1.4207 -1.4207 -1.4207 2.8605 2.8605 2.8605 2.8605 3.4940 3.4940 3.4940 3.4940 3.6082 3.6082 3.6082 3.6082 4.0206 4.0206 4.0206 4.0206 5.7183 5.7183 5.7183 5.7183 6.1456 6.1456 6.1456 6.1456 7.7314 7.7314 7.7314 7.7314 8.6131 8.6131 8.6131 8.6131 k = 0.0000 0.3897 0.1734 ( 4708 PWs) bands (ev): -7.4597 -7.4597 -7.4597 -7.4597 -6.9446 -6.9446 -6.9446 -6.9446 -2.4355 -2.4355 -2.4355 -2.4355 -1.4023 -1.4023 -1.4023 -1.4023 2.8269 2.8269 2.8269 2.8269 3.5269 3.5269 3.5269 3.5269 3.5954 3.5954 3.5954 3.5954 4.0286 4.0286 4.0286 4.0286 5.6625 5.6625 5.6625 5.6625 6.1696 6.1696 6.1696 6.1696 7.7399 7.7399 7.7399 7.7399 8.6202 8.6202 8.6202 8.6202 k = 0.0000 0.3782 0.1734 ( 4714 PWs) bands (ev): -7.4799 -7.4799 -7.4799 -7.4799 -6.9297 -6.9297 -6.9297 -6.9297 -2.4303 -2.4303 -2.4303 -2.4303 -1.3769 -1.3769 -1.3769 -1.3769 2.7852 2.7852 2.7852 2.7852 3.5632 3.5632 3.5632 3.5632 3.5826 3.5826 3.5826 3.5826 4.0388 4.0388 4.0388 4.0388 5.5968 5.5968 5.5968 5.5968 6.1904 6.1904 6.1904 6.1904 7.7533 7.7533 7.7533 7.7533 8.6293 8.6293 8.6293 8.6293 k = 0.0000 0.3668 0.1734 ( 4708 PWs) bands (ev): -7.5039 -7.5039 -7.5039 -7.5039 -6.9126 -6.9126 -6.9126 -6.9126 -2.4232 -2.4232 -2.4232 -2.4232 -1.3448 -1.3448 -1.3448 -1.3448 2.7379 2.7379 2.7379 2.7379 3.5540 3.5540 3.5540 3.5540 3.6168 3.6168 3.6168 3.6168 4.0505 4.0505 4.0505 4.0505 5.5254 5.5254 5.5254 5.5254 6.2037 6.2037 6.2037 6.2037 7.7726 7.7726 7.7726 7.7726 8.6400 8.6400 8.6400 8.6400 k = 0.0000 0.3553 0.1734 ( 4706 PWs) bands (ev): -7.5309 -7.5309 -7.5309 -7.5309 -6.8939 -6.8939 -6.8939 -6.8939 -2.4139 -2.4139 -2.4139 -2.4139 -1.3064 -1.3064 -1.3064 -1.3064 2.6871 2.6871 2.6871 2.6871 3.5308 3.5308 3.5308 3.5308 3.6645 3.6645 3.6645 3.6645 4.0629 4.0629 4.0629 4.0629 5.4510 5.4510 5.4510 5.4510 6.2070 6.2070 6.2070 6.2070 7.7985 7.7985 7.7985 7.7985 8.6515 8.6515 8.6515 8.6515 k = 0.0000 0.3438 0.1734 ( 4702 PWs) bands (ev): -7.5601 -7.5601 -7.5601 -7.5601 -6.8744 -6.8744 -6.8744 -6.8744 -2.4022 -2.4022 -2.4022 -2.4022 -1.2620 -1.2620 -1.2620 -1.2620 2.6341 2.6341 2.6341 2.6341 3.5048 3.5048 3.5048 3.5048 3.7133 3.7133 3.7133 3.7133 4.0757 4.0757 4.0757 4.0757 5.3755 5.3755 5.3755 5.3755 6.1992 6.1992 6.1992 6.1992 7.8314 7.8314 7.8314 7.8314 8.6636 8.6636 8.6636 8.6636 k = 0.0000 0.3324 0.1734 ( 4698 PWs) bands (ev): -7.5910 -7.5910 -7.5910 -7.5910 -6.8548 -6.8548 -6.8548 -6.8548 -2.3878 -2.3878 -2.3878 -2.3878 -1.2121 -1.2121 -1.2121 -1.2121 2.5798 2.5798 2.5798 2.5798 3.4772 3.4772 3.4772 3.4772 3.7608 3.7608 3.7608 3.7608 4.0884 4.0884 4.0884 4.0884 5.3008 5.3008 5.3008 5.3008 6.1797 6.1797 6.1797 6.1797 7.8713 7.8713 7.8713 7.8713 8.6757 8.6757 8.6757 8.6757 k = 0.0000 0.3209 0.1734 ( 4686 PWs) bands (ev): -7.6229 -7.6229 -7.6229 -7.6229 -6.8353 -6.8353 -6.8353 -6.8353 -2.3705 -2.3705 -2.3705 -2.3705 -1.1570 -1.1570 -1.1570 -1.1570 2.5248 2.5248 2.5248 2.5248 3.4483 3.4483 3.4483 3.4483 3.8053 3.8053 3.8053 3.8053 4.1006 4.1006 4.1006 4.1006 5.2283 5.2283 5.2283 5.2283 6.1491 6.1491 6.1491 6.1491 7.9174 7.9174 7.9174 7.9174 8.6878 8.6878 8.6878 8.6878 k = 0.0000 0.3095 0.1734 ( 4682 PWs) bands (ev): -7.6555 -7.6555 -7.6555 -7.6555 -6.8165 -6.8165 -6.8165 -6.8165 -2.3502 -2.3502 -2.3502 -2.3502 -1.0971 -1.0971 -1.0971 -1.0971 2.4697 2.4697 2.4697 2.4697 3.4185 3.4185 3.4185 3.4185 3.8452 3.8452 3.8452 3.8452 4.1121 4.1121 4.1121 4.1121 5.1599 5.1599 5.1599 5.1599 6.1080 6.1080 6.1080 6.1080 7.9688 7.9688 7.9688 7.9688 8.6997 8.6997 8.6997 8.6997 k = 0.0000 0.2980 0.1734 ( 4682 PWs) bands (ev): -7.6884 -7.6884 -7.6884 -7.6884 -6.7985 -6.7985 -6.7985 -6.7985 -2.3265 -2.3265 -2.3265 -2.3265 -1.0329 -1.0329 -1.0329 -1.0329 2.4147 2.4147 2.4147 2.4147 3.3882 3.3882 3.3882 3.3882 3.8783 3.8783 3.8783 3.8783 4.1226 4.1226 4.1226 4.1226 5.0973 5.0973 5.0973 5.0973 6.0577 6.0577 6.0577 6.0577 8.0241 8.0241 8.0241 8.0241 8.7116 8.7116 8.7116 8.7116 k = 0.0000 0.2865 0.1734 ( 4674 PWs) bands (ev): -7.7215 -7.7215 -7.7215 -7.7215 -6.7815 -6.7815 -6.7815 -6.7815 -2.2996 -2.2996 -2.2996 -2.2996 -0.9648 -0.9648 -0.9648 -0.9648 2.3602 2.3602 2.3602 2.3602 3.3576 3.3576 3.3576 3.3576 3.9027 3.9027 3.9027 3.9027 4.1321 4.1321 4.1321 4.1321 5.0425 5.0425 5.0425 5.0425 5.9994 5.9994 5.9994 5.9994 8.0817 8.0817 8.0817 8.0817 8.7240 8.7240 8.7240 8.7240 k = 0.0000 0.2751 0.1734 ( 4686 PWs) bands (ev): -7.7543 -7.7543 -7.7543 -7.7543 -6.7657 -6.7657 -6.7657 -6.7657 -2.2693 -2.2693 -2.2693 -2.2693 -0.8930 -0.8930 -0.8930 -0.8930 2.3061 2.3061 2.3061 2.3061 3.3270 3.3270 3.3270 3.3270 3.9165 3.9165 3.9165 3.9165 4.1403 4.1403 4.1403 4.1403 4.9974 4.9974 4.9974 4.9974 5.9343 5.9343 5.9343 5.9343 8.1400 8.1400 8.1400 8.1400 8.7371 8.7371 8.7371 8.7371 k = 0.0000 0.2636 0.1734 ( 4682 PWs) bands (ev): -7.7869 -7.7869 -7.7869 -7.7869 -6.7510 -6.7510 -6.7510 -6.7510 -2.2357 -2.2357 -2.2357 -2.2357 -0.8179 -0.8179 -0.8179 -0.8179 2.2527 2.2527 2.2527 2.2527 3.2966 3.2966 3.2966 3.2966 3.9179 3.9179 3.9179 3.9179 4.1472 4.1472 4.1472 4.1472 4.9633 4.9633 4.9633 4.9633 5.8640 5.8640 5.8640 5.8640 8.1970 8.1970 8.1970 8.1970 8.7517 8.7517 8.7517 8.7517 k = 0.0000 0.2521 0.1734 ( 4684 PWs) bands (ev): -7.8189 -7.8189 -7.8189 -7.8189 -6.7377 -6.7377 -6.7377 -6.7377 -2.1988 -2.1988 -2.1988 -2.1988 -0.7399 -0.7399 -0.7399 -0.7399 2.2000 2.2000 2.2000 2.2000 3.2665 3.2665 3.2665 3.2665 3.9060 3.9060 3.9060 3.9060 4.1529 4.1529 4.1529 4.1529 4.9407 4.9407 4.9407 4.9407 5.7897 5.7897 5.7897 5.7897 8.2512 8.2512 8.2512 8.2512 8.7681 8.7681 8.7681 8.7681 k = 0.0000 0.2407 0.1734 ( 4676 PWs) bands (ev): -7.8502 -7.8502 -7.8502 -7.8502 -6.7257 -6.7257 -6.7257 -6.7257 -2.1587 -2.1587 -2.1587 -2.1587 -0.6593 -0.6593 -0.6593 -0.6593 2.1480 2.1480 2.1480 2.1480 3.2369 3.2369 3.2369 3.2369 3.8810 3.8810 3.8810 3.8810 4.1574 4.1574 4.1574 4.1574 4.9287 4.9287 4.9287 4.9287 5.7132 5.7132 5.7132 5.7132 8.3010 8.3010 8.3010 8.3010 8.7868 8.7868 8.7868 8.7868 k = 0.0000 0.2292 0.1734 ( 4672 PWs) bands (ev): -7.8807 -7.8807 -7.8807 -7.8807 -6.7149 -6.7149 -6.7149 -6.7149 -2.1157 -2.1157 -2.1157 -2.1157 -0.5764 -0.5764 -0.5764 -0.5764 2.0968 2.0968 2.0968 2.0968 3.2079 3.2079 3.2079 3.2079 3.8442 3.8442 3.8442 3.8442 4.1608 4.1608 4.1608 4.1608 4.9251 4.9251 4.9251 4.9251 5.6363 5.6363 5.6363 5.6363 8.3452 8.3452 8.3452 8.3452 8.8076 8.8076 8.8076 8.8076 k = 0.0000 0.2178 0.1734 ( 4680 PWs) bands (ev): -7.9103 -7.9103 -7.9103 -7.9103 -6.7054 -6.7054 -6.7054 -6.7054 -2.0698 -2.0698 -2.0698 -2.0698 -0.4917 -0.4917 -0.4917 -0.4917 2.0462 2.0462 2.0462 2.0462 3.1797 3.1797 3.1797 3.1797 3.7975 3.7975 3.7975 3.7975 4.1633 4.1633 4.1633 4.1633 4.9259 4.9259 4.9259 4.9259 5.5616 5.5616 5.5616 5.5616 8.3831 8.3831 8.3831 8.3831 8.8298 8.8298 8.8298 8.8298 k = 0.0000 0.2063 0.1734 ( 4680 PWs) bands (ev): -7.9388 -7.9388 -7.9388 -7.9388 -6.6971 -6.6971 -6.6971 -6.6971 -2.0215 -2.0215 -2.0215 -2.0215 -0.4053 -0.4053 -0.4053 -0.4053 1.9964 1.9964 1.9964 1.9964 3.1524 3.1524 3.1524 3.1524 3.7433 3.7433 3.7433 3.7433 4.1650 4.1650 4.1650 4.1650 4.9261 4.9261 4.9261 4.9261 5.4926 5.4926 5.4926 5.4926 8.4149 8.4149 8.4149 8.4149 8.8521 8.8521 8.8521 8.8521 k = 0.0000 0.1948 0.1734 ( 4676 PWs) bands (ev): -7.9663 -7.9663 -7.9663 -7.9663 -6.6899 -6.6899 -6.6899 -6.6899 -1.9708 -1.9708 -1.9708 -1.9708 -0.3177 -0.3177 -0.3177 -0.3177 1.9471 1.9471 1.9471 1.9471 3.1260 3.1260 3.1260 3.1260 3.6839 3.6839 3.6839 3.6839 4.1659 4.1659 4.1659 4.1659 4.9195 4.9195 4.9195 4.9195 5.4341 5.4341 5.4341 5.4341 8.4410 8.4410 8.4410 8.4410 8.8727 8.8727 8.8727 8.8727 k = 0.0000 0.1834 0.1734 ( 4680 PWs) bands (ev): -7.9925 -7.9925 -7.9925 -7.9925 -6.6838 -6.6838 -6.6838 -6.6838 -1.9184 -1.9184 -1.9184 -1.9184 -0.2292 -0.2292 -0.2292 -0.2292 1.8984 1.8984 1.8984 1.8984 3.1007 3.1007 3.1007 3.1007 3.6213 3.6213 3.6213 3.6213 4.1662 4.1662 4.1662 4.1662 4.8997 4.8997 4.8997 4.8997 5.3913 5.3913 5.3913 5.3913 8.4625 8.4625 8.4625 8.4625 8.8895 8.8895 8.8895 8.8895 k = 0.0000 0.1719 0.1734 ( 4680 PWs) bands (ev): -8.0175 -8.0175 -8.0175 -8.0175 -6.6787 -6.6787 -6.6787 -6.6787 -1.8644 -1.8644 -1.8644 -1.8644 -0.1402 -0.1402 -0.1402 -0.1402 1.8500 1.8500 1.8500 1.8500 3.0765 3.0765 3.0765 3.0765 3.5574 3.5574 3.5574 3.5574 4.1658 4.1658 4.1658 4.1658 4.8622 4.8622 4.8622 4.8622 5.3676 5.3676 5.3676 5.3676 8.4803 8.4803 8.4803 8.4803 8.9012 8.9012 8.9012 8.9012 k = 0.0000 0.1605 0.1734 ( 4684 PWs) bands (ev): -8.0411 -8.0411 -8.0411 -8.0411 -6.6744 -6.6744 -6.6744 -6.6744 -1.8094 -1.8094 -1.8094 -1.8094 -0.0511 -0.0511 -0.0511 -0.0511 1.8020 1.8020 1.8020 1.8020 3.0535 3.0535 3.0535 3.0535 3.4936 3.4936 3.4936 3.4936 4.1650 4.1650 4.1650 4.1650 4.8076 4.8076 4.8076 4.8076 5.3621 5.3621 5.3621 5.3621 8.4955 8.4955 8.4955 8.4955 8.9069 8.9069 8.9069 8.9069 k = 0.0000 0.1490 0.1734 ( 4680 PWs) bands (ev): -8.0633 -8.0633 -8.0633 -8.0633 -6.6709 -6.6709 -6.6709 -6.6709 -1.7539 -1.7539 -1.7539 -1.7539 0.0377 0.0377 0.0377 0.0377 1.7542 1.7542 1.7542 1.7542 3.0318 3.0318 3.0318 3.0318 3.4311 3.4311 3.4311 3.4311 4.1636 4.1636 4.1636 4.1636 4.7399 4.7399 4.7399 4.7399 5.3703 5.3703 5.3703 5.3703 8.5088 8.5088 8.5088 8.5088 8.9065 8.9065 8.9065 8.9065 k = 0.0000 0.1375 0.1734 ( 4674 PWs) bands (ev): -8.0841 -8.0841 -8.0841 -8.0841 -6.6681 -6.6681 -6.6681 -6.6681 -1.6983 -1.6983 -1.6983 -1.6983 0.1258 0.1258 0.1258 0.1258 1.7065 1.7065 1.7065 1.7065 3.0114 3.0114 3.0114 3.0114 3.3712 3.3712 3.3712 3.3712 4.1618 4.1618 4.1618 4.1618 4.6639 4.6639 4.6639 4.6639 5.3873 5.3873 5.3873 5.3873 8.5209 8.5209 8.5209 8.5209 8.9005 8.9005 8.9005 8.9005 k = 0.0000 0.1261 0.1734 ( 4676 PWs) bands (ev): -8.1034 -8.1034 -8.1034 -8.1034 -6.6659 -6.6659 -6.6659 -6.6659 -1.6433 -1.6433 -1.6433 -1.6433 0.2127 0.2127 0.2127 0.2127 1.6588 1.6588 1.6588 1.6588 2.9923 2.9923 2.9923 2.9923 3.3148 3.3148 3.3148 3.3148 4.1597 4.1597 4.1597 4.1597 4.5838 4.5838 4.5838 4.5838 5.4091 5.4091 5.4091 5.4091 8.5323 8.5323 8.5323 8.5323 8.8898 8.8898 8.8898 8.8898 k = 0.0000 0.1146 0.1734 ( 4682 PWs) bands (ev): -8.1211 -8.1211 -8.1211 -8.1211 -6.6642 -6.6642 -6.6642 -6.6642 -1.5896 -1.5896 -1.5896 -1.5896 0.2981 0.2981 0.2981 0.2981 1.6111 1.6111 1.6111 1.6111 2.9747 2.9747 2.9747 2.9747 3.2626 3.2626 3.2626 3.2626 4.1571 4.1571 4.1571 4.1571 4.5025 4.5025 4.5025 4.5025 5.4332 5.4332 5.4332 5.4332 8.5432 8.5432 8.5432 8.5432 8.8755 8.8755 8.8755 8.8755 k = 0.0000 0.1032 0.1734 ( 4670 PWs) bands (ev): -8.1373 -8.1373 -8.1373 -8.1373 -6.6630 -6.6630 -6.6630 -6.6630 -1.5377 -1.5377 -1.5377 -1.5377 0.3813 0.3813 0.3813 0.3813 1.5633 1.5633 1.5633 1.5633 2.9585 2.9585 2.9585 2.9585 3.2154 3.2154 3.2154 3.2154 4.1541 4.1541 4.1541 4.1541 4.4223 4.4223 4.4223 4.4223 5.4577 5.4577 5.4577 5.4577 8.5540 8.5540 8.5540 8.5540 8.8587 8.8587 8.8587 8.8587 k = 0.0000 0.0917 0.1734 ( 4664 PWs) bands (ev): -8.1518 -8.1518 -8.1518 -8.1518 -6.6621 -6.6621 -6.6621 -6.6621 -1.4884 -1.4884 -1.4884 -1.4884 0.4619 0.4619 0.4619 0.4619 1.5155 1.5155 1.5155 1.5155 2.9438 2.9438 2.9438 2.9438 3.1736 3.1736 3.1736 3.1736 4.1501 4.1501 4.1501 4.1501 4.3456 4.3456 4.3456 4.3456 5.4816 5.4816 5.4816 5.4816 8.5648 8.5648 8.5648 8.5648 8.8402 8.8402 8.8402 8.8402 k = 0.0000 0.0802 0.1734 ( 4660 PWs) bands (ev): -8.1647 -8.1647 -8.1647 -8.1647 -6.6615 -6.6615 -6.6615 -6.6615 -1.4425 -1.4425 -1.4425 -1.4425 0.5394 0.5394 0.5394 0.5394 1.4677 1.4677 1.4677 1.4677 2.9306 2.9306 2.9306 2.9306 3.1375 3.1375 3.1375 3.1375 4.1442 4.1442 4.1442 4.1442 4.2752 4.2752 4.2752 4.2752 5.5038 5.5038 5.5038 5.5038 8.5756 8.5756 8.5756 8.5756 8.8211 8.8211 8.8211 8.8211 k = 0.0000 0.0688 0.1734 ( 4662 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -6.6611 -6.6611 -6.6611 -6.6611 -1.4006 -1.4006 -1.4006 -1.4006 0.6133 0.6133 0.6133 0.6133 1.4202 1.4202 1.4202 1.4202 2.9191 2.9191 2.9191 2.9191 3.1073 3.1073 3.1073 3.1073 4.1322 4.1322 4.1322 4.1322 4.2166 4.2166 4.2166 4.2166 5.5240 5.5240 5.5240 5.5240 8.5864 8.5864 8.5864 8.5864 8.8019 8.8019 8.8019 8.8019 k = 0.0000 0.0573 0.1734 ( 4670 PWs) bands (ev): -8.1855 -8.1855 -8.1855 -8.1855 -6.6608 -6.6608 -6.6608 -6.6608 -1.3636 -1.3636 -1.3636 -1.3636 0.6827 0.6827 0.6827 0.6827 1.3734 1.3734 1.3734 1.3734 2.9091 2.9091 2.9091 2.9091 3.0829 3.0829 3.0829 3.0829 4.1047 4.1047 4.1047 4.1047 4.1808 4.1808 4.1808 4.1808 5.5416 5.5416 5.5416 5.5416 8.5973 8.5973 8.5973 8.5973 8.7833 8.7833 8.7833 8.7833 k = 0.0000 0.0458 0.1734 ( 4682 PWs) bands (ev): -8.1933 -8.1933 -8.1933 -8.1933 -6.6607 -6.6607 -6.6607 -6.6607 -1.3321 -1.3321 -1.3321 -1.3321 0.7469 0.7469 0.7469 0.7469 1.3281 1.3281 1.3281 1.3281 2.9009 2.9009 2.9009 2.9009 3.0639 3.0639 3.0639 3.0639 4.0643 4.0643 4.0643 4.0643 4.1667 4.1667 4.1667 4.1667 5.5563 5.5563 5.5563 5.5563 8.6079 8.6079 8.6079 8.6079 8.7658 8.7658 8.7658 8.7658 k = 0.0000 0.0344 0.1734 ( 4682 PWs) bands (ev): -8.1994 -8.1994 -8.1994 -8.1994 -6.6607 -6.6607 -6.6607 -6.6607 -1.3069 -1.3069 -1.3069 -1.3069 0.8042 0.8042 0.8042 0.8042 1.2855 1.2855 1.2855 1.2855 2.8945 2.8945 2.8945 2.8945 3.0500 3.0500 3.0500 3.0500 4.0258 4.0258 4.0258 4.0258 4.1609 4.1609 4.1609 4.1609 5.5680 5.5680 5.5680 5.5680 8.6179 8.6179 8.6179 8.6179 8.7502 8.7502 8.7502 8.7502 k = 0.0000 0.0229 0.1734 ( 4694 PWs) bands (ev): -8.2038 -8.2038 -8.2038 -8.2038 -6.6607 -6.6607 -6.6607 -6.6607 -1.2885 -1.2885 -1.2885 -1.2885 0.8518 0.8518 0.8518 0.8518 1.2483 1.2483 1.2483 1.2483 2.8899 2.8899 2.8899 2.8899 3.0405 3.0405 3.0405 3.0405 3.9959 3.9959 3.9959 3.9959 4.1581 4.1581 4.1581 4.1581 5.5764 5.5764 5.5764 5.5764 8.6267 8.6267 8.6267 8.6267 8.7373 8.7373 8.7373 8.7373 k = 0.0000 0.0115 0.1734 ( 4680 PWs) bands (ev): -8.2064 -8.2064 -8.2064 -8.2064 -6.6607 -6.6607 -6.6607 -6.6607 -1.2772 -1.2772 -1.2772 -1.2772 0.8851 0.8851 0.8851 0.8851 1.2214 1.2214 1.2214 1.2214 2.8871 2.8871 2.8871 2.8871 3.0351 3.0351 3.0351 3.0351 3.9772 3.9772 3.9772 3.9772 4.1567 4.1567 4.1567 4.1567 5.5815 5.5815 5.5815 5.5815 8.6331 8.6331 8.6331 8.6331 8.7284 8.7284 8.7284 8.7284 k = 0.0000 0.0000 0.1734 ( 4676 PWs) bands (ev): -8.2073 -8.2073 -8.2073 -8.2073 -6.6607 -6.6607 -6.6607 -6.6607 -1.2734 -1.2734 -1.2734 -1.2734 0.8974 0.8974 0.8974 0.8974 1.2112 1.2112 1.2112 1.2112 2.8862 2.8862 2.8862 2.8862 3.0334 3.0334 3.0334 3.0334 3.9708 3.9708 3.9708 3.9708 4.1562 4.1562 4.1562 4.1562 5.5832 5.5832 5.5832 5.5832 8.6355 8.6355 8.6355 8.6355 8.7252 8.7252 8.7252 8.7252 k = 0.0000 0.4241-0.0000 ( 4684 PWs) bands (ev): -7.4381 -7.4381 -7.4381 -7.4381 -6.9548 -6.9548 -6.9548 -6.9548 -2.5849 -2.5849 -2.5849 -2.5849 -1.1526 -1.1526 -1.1526 -1.1526 2.0246 2.0246 2.0246 2.0246 3.6144 3.6144 3.6144 3.6144 4.0183 4.0183 4.0183 4.0183 4.6244 4.6244 4.6244 4.6244 5.4646 5.4646 5.4646 5.4646 6.1782 6.1782 6.1782 6.1782 7.8079 7.8079 7.8079 7.8079 8.5150 8.5150 8.5150 8.5150 k = 0.0000 0.4241 0.0108 ( 4680 PWs) bands (ev): -7.4381 -7.4381 -7.4381 -7.4381 -6.9549 -6.9549 -6.9549 -6.9549 -2.5837 -2.5837 -2.5837 -2.5837 -1.1552 -1.1552 -1.1552 -1.1552 2.0300 2.0300 2.0300 2.0300 3.6145 3.6145 3.6145 3.6145 4.0182 4.0182 4.0182 4.0182 4.6138 4.6138 4.6138 4.6138 5.4698 5.4698 5.4698 5.4698 6.1779 6.1779 6.1779 6.1779 7.8057 7.8057 7.8057 7.8057 8.5190 8.5190 8.5190 8.5190 k = 0.0000 0.4241 0.0217 ( 4674 PWs) bands (ev): -7.4379 -7.4379 -7.4379 -7.4379 -6.9552 -6.9552 -6.9552 -6.9552 -2.5803 -2.5803 -2.5803 -2.5803 -1.1631 -1.1631 -1.1631 -1.1631 2.0462 2.0462 2.0462 2.0462 3.6146 3.6146 3.6146 3.6146 4.0181 4.0181 4.0181 4.0181 4.5830 4.5830 4.5830 4.5830 5.4845 5.4845 5.4845 5.4845 6.1769 6.1769 6.1769 6.1769 7.7997 7.7997 7.7997 7.7997 8.5300 8.5300 8.5300 8.5300 k = 0.0000 0.4241 0.0325 ( 4674 PWs) bands (ev): -7.4376 -7.4376 -7.4376 -7.4376 -6.9557 -6.9557 -6.9557 -6.9557 -2.5746 -2.5746 -2.5746 -2.5746 -1.1758 -1.1758 -1.1758 -1.1758 2.0729 2.0729 2.0729 2.0729 3.6148 3.6148 3.6148 3.6148 4.0177 4.0177 4.0177 4.0177 4.5343 4.5343 4.5343 4.5343 5.5065 5.5065 5.5065 5.5065 6.1753 6.1753 6.1753 6.1753 7.7908 7.7908 7.7908 7.7908 8.5460 8.5460 8.5460 8.5460 k = 0.0000 0.4241 0.0433 ( 4684 PWs) bands (ev): -7.4371 -7.4371 -7.4371 -7.4371 -6.9564 -6.9564 -6.9564 -6.9564 -2.5669 -2.5669 -2.5669 -2.5669 -1.1930 -1.1930 -1.1930 -1.1930 2.1096 2.1096 2.1096 2.1096 3.6150 3.6150 3.6150 3.6150 4.0173 4.0173 4.0173 4.0173 4.4708 4.4708 4.4708 4.4708 5.5334 5.5334 5.5334 5.5334 6.1729 6.1729 6.1729 6.1729 7.7802 7.7802 7.7802 7.7802 8.5639 8.5639 8.5639 8.5639 k = 0.0000 0.4241 0.0542 ( 4688 PWs) bands (ev): -7.4366 -7.4366 -7.4366 -7.4366 -6.9573 -6.9573 -6.9573 -6.9573 -2.5572 -2.5572 -2.5572 -2.5572 -1.2139 -1.2139 -1.2139 -1.2139 2.1558 2.1558 2.1558 2.1558 3.6153 3.6153 3.6153 3.6153 4.0167 4.0167 4.0167 4.0167 4.3957 4.3957 4.3957 4.3957 5.5628 5.5628 5.5628 5.5628 6.1698 6.1698 6.1698 6.1698 7.7692 7.7692 7.7692 7.7692 8.5808 8.5808 8.5808 8.5808 k = 0.0000 0.4241 0.0650 ( 4680 PWs) bands (ev): -7.4360 -7.4360 -7.4360 -7.4360 -6.9582 -6.9582 -6.9582 -6.9582 -2.5459 -2.5459 -2.5459 -2.5459 -1.2378 -1.2378 -1.2378 -1.2378 2.2106 2.2106 2.2106 2.2106 3.6157 3.6157 3.6157 3.6157 4.0159 4.0159 4.0159 4.0159 4.3114 4.3114 4.3114 4.3114 5.5929 5.5929 5.5929 5.5929 6.1658 6.1658 6.1658 6.1658 7.7587 7.7587 7.7587 7.7587 8.5948 8.5948 8.5948 8.5948 k = 0.0000 0.4241 0.0758 ( 4676 PWs) bands (ev): -7.4354 -7.4354 -7.4354 -7.4354 -6.9593 -6.9593 -6.9593 -6.9593 -2.5333 -2.5333 -2.5333 -2.5333 -1.2638 -1.2638 -1.2638 -1.2638 2.2733 2.2733 2.2733 2.2733 3.6160 3.6160 3.6160 3.6160 4.0148 4.0148 4.0148 4.0148 4.2205 4.2205 4.2205 4.2205 5.6224 5.6224 5.6224 5.6224 6.1611 6.1611 6.1611 6.1611 7.7495 7.7495 7.7495 7.7495 8.6049 8.6049 8.6049 8.6049 k = 0.0000 0.4241 0.0867 ( 4684 PWs) bands (ev): -7.4347 -7.4347 -7.4347 -7.4347 -6.9604 -6.9604 -6.9604 -6.9604 -2.5198 -2.5198 -2.5198 -2.5198 -1.2911 -1.2911 -1.2911 -1.2911 2.3428 2.3428 2.3428 2.3428 3.6164 3.6164 3.6164 3.6164 4.0128 4.0128 4.0128 4.0128 4.1253 4.1253 4.1253 4.1253 5.6505 5.6505 5.6505 5.6505 6.1556 6.1556 6.1556 6.1556 7.7418 7.7418 7.7418 7.7418 8.6111 8.6111 8.6111 8.6111 k = 0.0000 0.4241 0.0975 ( 4698 PWs) bands (ev): -7.4340 -7.4340 -7.4340 -7.4340 -6.9615 -6.9615 -6.9615 -6.9615 -2.5058 -2.5058 -2.5058 -2.5058 -1.3186 -1.3186 -1.3186 -1.3186 2.4182 2.4182 2.4182 2.4182 3.6168 3.6168 3.6168 3.6168 3.9997 3.9997 3.9997 3.9997 4.0378 4.0378 4.0378 4.0378 5.6766 5.6766 5.6766 5.6766 6.1495 6.1495 6.1495 6.1495 7.7359 7.7359 7.7359 7.7359 8.6142 8.6142 8.6142 8.6142 k = 0.0000 0.4241 0.1083 ( 4694 PWs) bands (ev): -7.4334 -7.4334 -7.4334 -7.4334 -6.9626 -6.9626 -6.9626 -6.9626 -2.4918 -2.4918 -2.4918 -2.4918 -1.3452 -1.3452 -1.3452 -1.3452 2.4981 2.4981 2.4981 2.4981 3.6171 3.6171 3.6171 3.6171 3.9168 3.9168 3.9168 3.9168 4.0184 4.0184 4.0184 4.0184 5.7002 5.7002 5.7002 5.7002 6.1431 6.1431 6.1431 6.1431 7.7316 7.7316 7.7316 7.7316 8.6149 8.6149 8.6149 8.6149 k = 0.0000 0.4241 0.1192 ( 4704 PWs) bands (ev): -7.4328 -7.4328 -7.4328 -7.4328 -6.9636 -6.9636 -6.9636 -6.9636 -2.4785 -2.4785 -2.4785 -2.4785 -1.3701 -1.3701 -1.3701 -1.3701 2.5809 2.5809 2.5809 2.5809 3.6173 3.6173 3.6173 3.6173 3.8171 3.8171 3.8171 3.8171 4.0161 4.0161 4.0161 4.0161 5.7211 5.7211 5.7211 5.7211 6.1366 6.1366 6.1366 6.1366 7.7286 7.7286 7.7286 7.7286 8.6141 8.6141 8.6141 8.6141 k = 0.0000 0.4241 0.1300 ( 4700 PWs) bands (ev): -7.4322 -7.4322 -7.4322 -7.4322 -6.9644 -6.9644 -6.9644 -6.9644 -2.4663 -2.4663 -2.4663 -2.4663 -1.3921 -1.3921 -1.3921 -1.3921 2.6645 2.6645 2.6645 2.6645 3.6172 3.6172 3.6172 3.6172 3.7190 3.7190 3.7190 3.7190 4.0151 4.0151 4.0151 4.0151 5.7388 5.7388 5.7388 5.7388 6.1304 6.1304 6.1304 6.1304 7.7269 7.7269 7.7269 7.7269 8.6124 8.6124 8.6124 8.6124 k = 0.0000 0.4241 0.1408 ( 4698 PWs) bands (ev): -7.4318 -7.4318 -7.4318 -7.4318 -6.9651 -6.9651 -6.9651 -6.9651 -2.4561 -2.4561 -2.4561 -2.4561 -1.4104 -1.4104 -1.4104 -1.4104 2.7452 2.7452 2.7452 2.7452 3.6120 3.6120 3.6120 3.6120 3.6319 3.6319 3.6319 3.6319 4.0145 4.0145 4.0145 4.0145 5.7531 5.7531 5.7531 5.7531 6.1249 6.1249 6.1249 6.1249 7.7259 7.7259 7.7259 7.7259 8.6104 8.6104 8.6104 8.6104 k = 0.0000 0.4241 0.1517 ( 4700 PWs) bands (ev): -7.4315 -7.4315 -7.4315 -7.4315 -6.9657 -6.9657 -6.9657 -6.9657 -2.4483 -2.4483 -2.4483 -2.4483 -1.4242 -1.4242 -1.4242 -1.4242 2.8172 2.8172 2.8172 2.8172 3.5438 3.5438 3.5438 3.5438 3.6197 3.6197 3.6197 3.6197 4.0140 4.0140 4.0140 4.0140 5.7636 5.7636 5.7636 5.7636 6.1206 6.1206 6.1206 6.1206 7.7254 7.7254 7.7254 7.7254 8.6087 8.6087 8.6087 8.6087 k = 0.0000 0.4241 0.1625 ( 4708 PWs) bands (ev): -7.4313 -7.4313 -7.4313 -7.4313 -6.9660 -6.9660 -6.9660 -6.9660 -2.4434 -2.4434 -2.4434 -2.4434 -1.4327 -1.4327 -1.4327 -1.4327 2.8702 2.8702 2.8702 2.8702 3.4861 3.4861 3.4861 3.4861 3.6193 3.6193 3.6193 3.6193 4.0138 4.0138 4.0138 4.0138 5.7700 5.7700 5.7700 5.7700 6.1178 6.1178 6.1178 6.1178 7.7252 7.7252 7.7252 7.7252 8.6076 8.6076 8.6076 8.6076 k = 0.0000 0.4241 0.1734 ( 4716 PWs) bands (ev): -7.4312 -7.4312 -7.4312 -7.4312 -6.9661 -6.9661 -6.9661 -6.9661 -2.4417 -2.4417 -2.4417 -2.4417 -1.4356 -1.4356 -1.4356 -1.4356 2.8904 2.8904 2.8904 2.8904 3.4642 3.4642 3.4642 3.4642 3.6193 3.6193 3.6193 3.6193 4.0137 4.0137 4.0137 4.0137 5.7722 5.7722 5.7722 5.7722 6.1168 6.1168 6.1168 6.1168 7.7252 7.7252 7.7252 7.7252 8.6072 8.6072 8.6072 8.6072 k = 0.5000-0.0000 0.1734 ( 4676 PWs) bands (ev): -6.6099 -6.6099 -6.6099 -6.6099 -6.6092 -6.6092 -6.6092 -6.6092 -2.2501 -2.2501 -2.2501 -2.2501 -2.2498 -2.2498 -2.2498 -2.2498 2.7881 2.7881 2.7881 2.7881 2.7910 2.7910 2.7910 2.7910 3.6301 3.6301 3.6301 3.6301 3.6371 3.6371 3.6371 3.6371 4.7571 4.7571 4.7571 4.7571 4.7713 4.7713 4.7713 4.7713 7.9367 7.9367 7.9367 7.9367 7.9781 7.9781 7.9781 7.9781 k = 0.5000-0.0000 0.1625 ( 4668 PWs) bands (ev): -6.6164 -6.6164 -6.6164 -6.6164 -6.6027 -6.6027 -6.6027 -6.6027 -2.2851 -2.2851 -2.2851 -2.2851 -2.2143 -2.2143 -2.2143 -2.2143 2.7509 2.7509 2.7509 2.7509 2.8254 2.8254 2.8254 2.8254 3.5941 3.5941 3.5941 3.5941 3.6749 3.6749 3.6749 3.6749 4.7585 4.7585 4.7585 4.7585 4.7732 4.7732 4.7732 4.7732 7.9326 7.9326 7.9326 7.9326 7.9742 7.9742 7.9742 7.9742 k = 0.5000-0.0000 0.1517 ( 4674 PWs) bands (ev): -6.6231 -6.6231 -6.6231 -6.6231 -6.5958 -6.5958 -6.5958 -6.5958 -2.3194 -2.3194 -2.3194 -2.3194 -2.1784 -2.1784 -2.1784 -2.1784 2.7097 2.7097 2.7097 2.7097 2.8581 2.8581 2.8581 2.8581 3.5573 3.5573 3.5573 3.5573 3.7170 3.7170 3.7170 3.7170 4.7625 4.7625 4.7625 4.7625 4.7789 4.7789 4.7789 4.7789 7.9208 7.9208 7.9208 7.9208 7.9627 7.9627 7.9627 7.9627 k = 0.5000-0.0000 0.1408 ( 4668 PWs) bands (ev): -6.6296 -6.6296 -6.6296 -6.6296 -6.5891 -6.5891 -6.5891 -6.5891 -2.3525 -2.3525 -2.3525 -2.3525 -2.1427 -2.1427 -2.1427 -2.1427 2.6666 2.6666 2.6666 2.6666 2.8877 2.8877 2.8877 2.8877 3.5235 3.5235 3.5235 3.5235 3.7592 3.7592 3.7592 3.7592 4.7686 4.7686 4.7686 4.7686 4.7888 4.7888 4.7888 4.7888 7.9018 7.9018 7.9018 7.9018 7.9446 7.9446 7.9446 7.9446 k = 0.5000-0.0000 0.1300 ( 4676 PWs) bands (ev): -6.6359 -6.6359 -6.6359 -6.6359 -6.5824 -6.5824 -6.5824 -6.5824 -2.3843 -2.3843 -2.3843 -2.3843 -2.1074 -2.1074 -2.1074 -2.1074 2.6221 2.6221 2.6221 2.6221 2.9142 2.9142 2.9142 2.9142 3.4927 3.4927 3.4927 3.4927 3.8004 3.8004 3.8004 3.8004 4.7763 4.7763 4.7763 4.7763 4.8035 4.8035 4.8035 4.8035 7.8770 7.8770 7.8770 7.8770 7.9210 7.9210 7.9210 7.9210 k = 0.5000-0.0000 0.1192 ( 4676 PWs) bands (ev): -6.6418 -6.6418 -6.6418 -6.6418 -6.5760 -6.5760 -6.5760 -6.5760 -2.4144 -2.4144 -2.4144 -2.4144 -2.0729 -2.0729 -2.0729 -2.0729 2.5771 2.5771 2.5771 2.5771 2.9377 2.9377 2.9377 2.9377 3.4652 3.4652 3.4652 3.4652 3.8396 3.8396 3.8396 3.8396 4.7852 4.7852 4.7852 4.7852 4.8230 4.8230 4.8230 4.8230 7.8473 7.8473 7.8473 7.8473 7.8934 7.8934 7.8934 7.8934 k = 0.5000-0.0000 0.1083 ( 4676 PWs) bands (ev): -6.6475 -6.6475 -6.6475 -6.6475 -6.5699 -6.5699 -6.5699 -6.5699 -2.4427 -2.4427 -2.4427 -2.4427 -2.0397 -2.0397 -2.0397 -2.0397 2.5324 2.5324 2.5324 2.5324 2.9584 2.9584 2.9584 2.9584 3.4408 3.4408 3.4408 3.4408 3.8758 3.8758 3.8758 3.8758 4.7948 4.7948 4.7948 4.7948 4.8472 4.8472 4.8472 4.8472 7.8138 7.8138 7.8138 7.8138 7.8633 7.8633 7.8633 7.8633 k = 0.5000-0.0000 0.0975 ( 4684 PWs) bands (ev): -6.6528 -6.6528 -6.6528 -6.6528 -6.5642 -6.5642 -6.5642 -6.5642 -2.4690 -2.4690 -2.4690 -2.4690 -2.0081 -2.0081 -2.0081 -2.0081 2.4889 2.4889 2.4889 2.4889 2.9766 2.9766 2.9766 2.9766 3.4195 3.4195 3.4195 3.4195 3.9083 3.9083 3.9083 3.9083 4.8047 4.8047 4.8047 4.8047 4.8757 4.8757 4.8757 4.8757 7.7776 7.7776 7.7776 7.7776 7.8323 7.8323 7.8323 7.8323 k = 0.5000-0.0000 0.0867 ( 4686 PWs) bands (ev): -6.6576 -6.6576 -6.6576 -6.6576 -6.5588 -6.5588 -6.5588 -6.5588 -2.4929 -2.4929 -2.4929 -2.4929 -1.9784 -1.9784 -1.9784 -1.9784 2.4473 2.4473 2.4473 2.4473 2.9923 2.9923 2.9923 2.9923 3.4010 3.4010 3.4010 3.4010 3.9368 3.9368 3.9368 3.9368 4.8146 4.8146 4.8146 4.8146 4.9077 4.9077 4.9077 4.9077 7.7396 7.7396 7.7396 7.7396 7.8016 7.8016 7.8016 7.8016 k = 0.5000-0.0000 0.0758 ( 4686 PWs) bands (ev): -6.6619 -6.6619 -6.6619 -6.6619 -6.5539 -6.5539 -6.5539 -6.5539 -2.5145 -2.5145 -2.5145 -2.5145 -1.9512 -1.9512 -1.9512 -1.9512 2.4085 2.4085 2.4085 2.4085 3.0057 3.0057 3.0057 3.0057 3.3851 3.3851 3.3851 3.3851 3.9610 3.9610 3.9610 3.9610 4.8243 4.8243 4.8243 4.8243 4.9419 4.9419 4.9419 4.9419 7.7010 7.7010 7.7010 7.7010 7.7723 7.7723 7.7723 7.7723 k = 0.5000-0.0000 0.0650 ( 4686 PWs) bands (ev): -6.6658 -6.6658 -6.6658 -6.6658 -6.5496 -6.5496 -6.5496 -6.5496 -2.5335 -2.5335 -2.5335 -2.5335 -1.9266 -1.9266 -1.9266 -1.9266 2.3733 2.3733 2.3733 2.3733 3.0171 3.0171 3.0171 3.0171 3.3718 3.3718 3.3718 3.3718 3.9812 3.9812 3.9812 3.9812 4.8333 4.8333 4.8333 4.8333 4.9768 4.9768 4.9768 4.9768 7.6630 7.6630 7.6630 7.6630 7.7455 7.7455 7.7455 7.7455 k = 0.5000-0.0000 0.0542 ( 4688 PWs) bands (ev): -6.6691 -6.6691 -6.6691 -6.6691 -6.5458 -6.5458 -6.5458 -6.5458 -2.5498 -2.5498 -2.5498 -2.5498 -1.9052 -1.9052 -1.9052 -1.9052 2.3422 2.3422 2.3422 2.3422 3.0265 3.0265 3.0265 3.0265 3.3608 3.3608 3.3608 3.3608 3.9974 3.9974 3.9974 3.9974 4.8415 4.8415 4.8415 4.8415 5.0106 5.0106 5.0106 5.0106 7.6272 7.6272 7.6272 7.6272 7.7217 7.7217 7.7217 7.7217 k = 0.5000-0.0000 0.0433 ( 4682 PWs) bands (ev): -6.6718 -6.6718 -6.6718 -6.6718 -6.5426 -6.5426 -6.5426 -6.5426 -2.5633 -2.5633 -2.5633 -2.5633 -1.8872 -1.8872 -1.8872 -1.8872 2.3160 2.3160 2.3160 2.3160 3.0341 3.0341 3.0341 3.0341 3.3520 3.3520 3.3520 3.3520 4.0101 4.0101 4.0101 4.0101 4.8485 4.8485 4.8485 4.8485 5.0416 5.0416 5.0416 5.0416 7.5950 7.5950 7.5950 7.5950 7.7015 7.7015 7.7015 7.7015 k = 0.5000-0.0000 0.0325 ( 4684 PWs) bands (ev): -6.6740 -6.6740 -6.6740 -6.6740 -6.5401 -6.5401 -6.5401 -6.5401 -2.5739 -2.5739 -2.5739 -2.5739 -1.8728 -1.8728 -1.8728 -1.8728 2.2951 2.2951 2.2951 2.2951 3.0399 3.0399 3.0399 3.0399 3.3452 3.3452 3.3452 3.3452 4.0195 4.0195 4.0195 4.0195 4.8542 4.8542 4.8542 4.8542 5.0680 5.0680 5.0680 5.0680 7.5680 7.5680 7.5680 7.5680 7.6853 7.6853 7.6853 7.6853 k = 0.5000-0.0000 0.0217 ( 4684 PWs) bands (ev): -6.6755 -6.6755 -6.6755 -6.6755 -6.5383 -6.5383 -6.5383 -6.5383 -2.5815 -2.5815 -2.5815 -2.5815 -1.8624 -1.8624 -1.8624 -1.8624 2.2798 2.2798 2.2798 2.2798 3.0440 3.0440 3.0440 3.0440 3.3405 3.3405 3.3405 3.3405 4.0260 4.0260 4.0260 4.0260 4.8584 4.8584 4.8584 4.8584 5.0881 5.0881 5.0881 5.0881 7.5475 7.5475 7.5475 7.5475 7.6735 7.6735 7.6735 7.6735 k = 0.5000-0.0000 0.0108 ( 4690 PWs) bands (ev): -6.6764 -6.6764 -6.6764 -6.6764 -6.5373 -6.5373 -6.5373 -6.5373 -2.5860 -2.5860 -2.5860 -2.5860 -1.8561 -1.8561 -1.8561 -1.8561 2.2706 2.2706 2.2706 2.2706 3.0465 3.0465 3.0465 3.0465 3.3376 3.3376 3.3376 3.3376 4.0298 4.0298 4.0298 4.0298 4.8610 4.8610 4.8610 4.8610 5.1008 5.1008 5.1008 5.1008 7.5347 7.5347 7.5347 7.5347 7.6664 7.6664 7.6664 7.6664 k = 0.5000-0.0000-0.0000 ( 4698 PWs) bands (ev): -6.6768 -6.6768 -6.6768 -6.6768 -6.5369 -6.5369 -6.5369 -6.5369 -2.5876 -2.5876 -2.5876 -2.5876 -1.8540 -1.8540 -1.8540 -1.8540 2.2675 2.2675 2.2675 2.2675 3.0473 3.0473 3.0473 3.0473 3.3367 3.3367 3.3367 3.3367 4.0311 4.0311 4.0311 4.0311 4.8619 4.8619 4.8619 4.8619 5.1051 5.1051 5.1051 5.1051 7.5303 7.5303 7.5303 7.5303 7.6640 7.6640 7.6640 7.6640 k = 0.5000 0.4241-0.0000 ( 4708 PWs) bands (ev): -6.3915 -6.3915 -6.3915 -6.3915 -6.3531 -6.3531 -6.3531 -6.3531 -1.9501 -1.9501 -1.9501 -1.9501 -1.7796 -1.7796 -1.7796 -1.7796 0.9227 0.9227 0.9227 0.9227 1.3972 1.3972 1.3972 1.3972 2.1053 2.1053 2.1053 2.1053 2.6557 2.6557 2.6557 2.6557 4.0038 4.0038 4.0038 4.0038 4.6028 4.6028 4.6028 4.6028 9.1678 9.1678 9.1678 9.1678 9.4699 9.4699 9.4699 9.4699 k = 0.5000 0.4241 0.0108 ( 4708 PWs) bands (ev): -6.3914 -6.3914 -6.3914 -6.3914 -6.3532 -6.3532 -6.3532 -6.3532 -1.9498 -1.9498 -1.9498 -1.9498 -1.7802 -1.7802 -1.7802 -1.7802 0.9246 0.9246 0.9246 0.9246 1.3994 1.3994 1.3994 1.3994 2.1006 2.1006 2.1006 2.1006 2.6513 2.6513 2.6513 2.6513 4.0091 4.0091 4.0091 4.0091 4.6054 4.6054 4.6054 4.6054 9.1630 9.1630 9.1630 9.1630 9.4651 9.4651 9.4651 9.4651 k = 0.5000 0.4241 0.0217 ( 4700 PWs) bands (ev): -6.3912 -6.3912 -6.3912 -6.3912 -6.3535 -6.3535 -6.3535 -6.3535 -1.9488 -1.9488 -1.9488 -1.9488 -1.7817 -1.7817 -1.7817 -1.7817 0.9303 0.9303 0.9303 0.9303 1.4059 1.4059 1.4059 1.4059 2.0868 2.0868 2.0868 2.0868 2.6380 2.6380 2.6380 2.6380 4.0248 4.0248 4.0248 4.0248 4.6131 4.6131 4.6131 4.6131 9.1491 9.1491 9.1491 9.1491 9.4507 9.4507 9.4507 9.4507 k = 0.5000 0.4241 0.0325 ( 4700 PWs) bands (ev): -6.3907 -6.3907 -6.3907 -6.3907 -6.3539 -6.3539 -6.3539 -6.3539 -1.9471 -1.9471 -1.9471 -1.9471 -1.7842 -1.7842 -1.7842 -1.7842 0.9399 0.9399 0.9399 0.9399 1.4165 1.4165 1.4165 1.4165 2.0644 2.0644 2.0644 2.0644 2.6164 2.6164 2.6164 2.6164 4.0502 4.0502 4.0502 4.0502 4.6251 4.6251 4.6251 4.6251 9.1270 9.1270 9.1270 9.1270 9.4274 9.4274 9.4274 9.4274 k = 0.5000 0.4241 0.0433 ( 4712 PWs) bands (ev): -6.3901 -6.3901 -6.3901 -6.3901 -6.3545 -6.3545 -6.3545 -6.3545 -1.9449 -1.9449 -1.9449 -1.9449 -1.7876 -1.7876 -1.7876 -1.7876 0.9533 0.9533 0.9533 0.9533 1.4312 1.4312 1.4312 1.4312 2.0346 2.0346 2.0346 2.0346 2.5871 2.5871 2.5871 2.5871 4.0843 4.0843 4.0843 4.0843 4.6408 4.6408 4.6408 4.6408 9.0980 9.0980 9.0980 9.0980 9.3959 9.3959 9.3959 9.3959 k = 0.5000 0.4241 0.0542 ( 4716 PWs) bands (ev): -6.3893 -6.3893 -6.3893 -6.3893 -6.3554 -6.3554 -6.3554 -6.3554 -1.9419 -1.9419 -1.9419 -1.9419 -1.7919 -1.7919 -1.7919 -1.7919 0.9703 0.9703 0.9703 0.9703 1.4498 1.4498 1.4498 1.4498 1.9985 1.9985 1.9985 1.9985 2.5510 2.5510 2.5510 2.5510 4.1257 4.1257 4.1257 4.1257 4.6589 4.6589 4.6589 4.6589 9.0641 9.0641 9.0641 9.0641 9.3573 9.3573 9.3573 9.3573 k = 0.5000 0.4241 0.0650 ( 4716 PWs) bands (ev): -6.3884 -6.3884 -6.3884 -6.3884 -6.3563 -6.3563 -6.3563 -6.3563 -1.9384 -1.9384 -1.9384 -1.9384 -1.7971 -1.7971 -1.7971 -1.7971 0.9911 0.9911 0.9911 0.9911 1.4717 1.4717 1.4717 1.4717 1.9575 1.9575 1.9575 1.9575 2.5090 2.5090 2.5090 2.5090 4.1731 4.1731 4.1731 4.1731 4.6781 4.6781 4.6781 4.6781 9.0271 9.0271 9.0271 9.0271 9.3129 9.3129 9.3129 9.3129 k = 0.5000 0.4241 0.0758 ( 4724 PWs) bands (ev): -6.3873 -6.3873 -6.3873 -6.3873 -6.3574 -6.3574 -6.3574 -6.3574 -1.9342 -1.9342 -1.9342 -1.9342 -1.8029 -1.8029 -1.8029 -1.8029 1.0154 1.0154 1.0154 1.0154 1.4963 1.4963 1.4963 1.4963 1.9134 1.9134 1.9134 1.9134 2.4620 2.4620 2.4620 2.4620 4.2249 4.2249 4.2249 4.2249 4.6971 4.6971 4.6971 4.6971 8.9892 8.9892 8.9892 8.9892 9.2642 9.2642 9.2642 9.2642 k = 0.5000 0.4241 0.0867 ( 4728 PWs) bands (ev): -6.3861 -6.3861 -6.3861 -6.3861 -6.3587 -6.3587 -6.3587 -6.3587 -1.9295 -1.9295 -1.9295 -1.9295 -1.8095 -1.8095 -1.8095 -1.8095 1.0431 1.0431 1.0431 1.0431 1.5224 1.5224 1.5224 1.5224 1.8683 1.8683 1.8683 1.8683 2.4111 2.4111 2.4111 2.4111 4.2798 4.2798 4.2798 4.2798 4.7146 4.7146 4.7146 4.7146 8.9522 8.9522 8.9522 8.9522 9.2125 9.2125 9.2125 9.2125 k = 0.5000 0.4241 0.0975 ( 4728 PWs) bands (ev): -6.3847 -6.3847 -6.3847 -6.3847 -6.3601 -6.3601 -6.3601 -6.3601 -1.9242 -1.9242 -1.9242 -1.9242 -1.8166 -1.8166 -1.8166 -1.8166 1.0743 1.0743 1.0743 1.0743 1.5475 1.5475 1.5475 1.5475 1.8255 1.8255 1.8255 1.8255 2.3570 2.3570 2.3570 2.3570 4.3363 4.3363 4.3363 4.3363 4.7293 4.7293 4.7293 4.7293 8.9181 8.9181 8.9181 8.9181 9.1595 9.1595 9.1595 9.1595 k = 0.5000 0.4241 0.1083 ( 4728 PWs) bands (ev): -6.3832 -6.3832 -6.3832 -6.3832 -6.3616 -6.3616 -6.3616 -6.3616 -1.9183 -1.9183 -1.9183 -1.9183 -1.8242 -1.8242 -1.8242 -1.8242 1.1086 1.1086 1.1086 1.1086 1.5662 1.5662 1.5662 1.5662 1.7909 1.7909 1.7909 1.7909 2.3007 2.3007 2.3007 2.3007 4.3930 4.3930 4.3930 4.3930 4.7399 4.7399 4.7399 4.7399 8.8884 8.8884 8.8884 8.8884 9.1066 9.1066 9.1066 9.1066 k = 0.5000 0.4241 0.1192 ( 4728 PWs) bands (ev): -6.3817 -6.3817 -6.3817 -6.3817 -6.3631 -6.3631 -6.3631 -6.3631 -1.9120 -1.9120 -1.9120 -1.9120 -1.8321 -1.8321 -1.8321 -1.8321 1.1460 1.1460 1.1460 1.1460 1.5690 1.5690 1.5690 1.5690 1.7747 1.7747 1.7747 1.7747 2.2430 2.2430 2.2430 2.2430 4.4487 4.4487 4.4487 4.4487 4.7454 4.7454 4.7454 4.7454 8.8646 8.8646 8.8646 8.8646 9.0553 9.0553 9.0553 9.0553 k = 0.5000 0.4241 0.1300 ( 4732 PWs) bands (ev): -6.3801 -6.3801 -6.3801 -6.3801 -6.3648 -6.3648 -6.3648 -6.3648 -1.9052 -1.9052 -1.9052 -1.9052 -1.8403 -1.8403 -1.8403 -1.8403 1.1862 1.1862 1.1862 1.1862 1.5492 1.5492 1.5492 1.5492 1.7839 1.7839 1.7839 1.7839 2.1845 2.1845 2.1845 2.1845 4.5021 4.5021 4.5021 4.5021 4.7450 4.7450 4.7450 4.7450 8.8478 8.8478 8.8478 8.8478 9.0071 9.0071 9.0071 9.0071 k = 0.5000 0.4241 0.1408 ( 4740 PWs) bands (ev): -6.3784 -6.3784 -6.3784 -6.3784 -6.3664 -6.3664 -6.3664 -6.3664 -1.8979 -1.8979 -1.8979 -1.8979 -1.8486 -1.8486 -1.8486 -1.8486 1.2290 1.2290 1.2290 1.2290 1.5124 1.5124 1.5124 1.5124 1.8132 1.8132 1.8132 1.8132 2.1261 2.1261 2.1261 2.1261 4.5521 4.5521 4.5521 4.5521 4.7382 4.7382 4.7382 4.7382 8.8386 8.8386 8.8386 8.8386 8.9634 8.9634 8.9634 8.9634 k = 0.5000 0.4241 0.1517 ( 4740 PWs) bands (ev): -6.3768 -6.3768 -6.3768 -6.3768 -6.3681 -6.3681 -6.3681 -6.3681 -1.8904 -1.8904 -1.8904 -1.8904 -1.8571 -1.8571 -1.8571 -1.8571 1.2741 1.2741 1.2741 1.2741 1.4674 1.4674 1.4674 1.4674 1.8539 1.8539 1.8539 1.8539 2.0684 2.0684 2.0684 2.0684 4.5975 4.5975 4.5975 4.5975 4.7246 4.7246 4.7246 4.7246 8.8372 8.8372 8.8372 8.8372 8.9257 8.9257 8.9257 8.9257 k = 0.5000 0.4241 0.1625 ( 4724 PWs) bands (ev): -6.3753 -6.3753 -6.3753 -6.3753 -6.3695 -6.3695 -6.3695 -6.3695 -1.8826 -1.8826 -1.8826 -1.8826 -1.8653 -1.8653 -1.8653 -1.8653 1.3209 1.3209 1.3209 1.3209 1.4193 1.4193 1.4193 1.4193 1.9004 1.9004 1.9004 1.9004 2.0129 2.0129 2.0129 2.0129 4.6367 4.6367 4.6367 4.6367 4.7049 4.7049 4.7049 4.7049 8.8429 8.8429 8.8429 8.8429 8.8961 8.8961 8.8961 8.8961 k = 0.5000 0.4241 0.1734 ( 4728 PWs) bands (ev): -6.3747 -6.3747 -6.3747 -6.3747 -6.3702 -6.3702 -6.3702 -6.3702 -1.8765 -1.8765 -1.8765 -1.8765 -1.8716 -1.8716 -1.8716 -1.8716 1.3633 1.3633 1.3633 1.3633 1.3763 1.3763 1.3763 1.3763 1.9378 1.9378 1.9378 1.9378 1.9725 1.9725 1.9725 1.9725 4.6606 4.6606 4.6606 4.6606 4.6876 4.6876 4.6876 4.6876 8.8488 8.8488 8.8488 8.8488 8.8821 8.8821 8.8821 8.8821 Writing output data file GeS.save init_run : 3.59s CPU 13.60s WALL ( 1 calls) electrons : 608.62s CPU 616.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 608.61s CPU 615.54s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.56s WALL ( 1 calls) newd : 0.48s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 400 calls) cegterg : 565.55s CPU 569.76s WALL ( 697 calls) Called by sum_band: Called by *egterg: h_psi : 278.67s CPU 285.70s WALL ( 10975 calls) s_psi : 42.55s CPU 42.96s WALL ( 10975 calls) g_psi : 0.72s CPU 0.78s WALL ( 9878 calls) cdiaghg : 166.80s CPU 164.83s WALL ( 10278 calls) cegterg:over : 54.78s CPU 51.72s WALL ( 9878 calls) cegterg:upda : 12.19s CPU 15.21s WALL ( 9878 calls) cegterg:last : 11.50s CPU 12.37s WALL ( 2217 calls) Called by h_psi: h_psi:vloc : 194.19s CPU 199.28s WALL ( 10975 calls) h_psi:vnl : 84.16s CPU 85.63s WALL ( 10975 calls) add_vuspsi : 30.41s CPU 34.18s WALL ( 10975 calls) General routines calbec : 53.71s CPU 51.30s WALL ( 10975 calls) fft : 0.29s CPU 1.38s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 187.68s CPU 191.06s WALL ( 1263420 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 1.34s WALL ( 800 calls) Parallel routines fft_scatter : 124.26s CPU 126.54s WALL ( 1263443 calls) PWSCF : 11m14.48s CPU 12m35.50s WALL This run was terminated on: 18:53:43 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=