Program PWSCF v.5.1.1 starts on 23Jul2015 at 14:44: 3 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 4 946 776 126 Max 17 15 5 961 797 139 Sum 807 711 211 45899 37905 6269 bravais-lattice index = 14 lattice parameter (alat) = 6.8899 a.u. unit-cell volume = 1108.6216 (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)= 6.889941 celldm(2)= 1.179100 celldm(3)= 2.874657 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 1.179100 0.000000 ) a(3) = ( 0.000000 0.000000 2.874657 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.848104 -0.000000 ) b(3) = ( 0.000000 0.000000 0.347868 ) 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 ) ( -0.5895502 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4373286 ) 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 ) ( 0.5895502 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4373286 ) 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 ) ( 0.5895502 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4373286 ) 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 ) ( -0.5895502 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4373286 ) 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= 396 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0025253 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0025253 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0025253 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0025253 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0025253 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0025253 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0025253 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0025253 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0025253 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0025253 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0025253 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0025253 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0025253 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0025253 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0025253 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0025253 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0025253 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0025253 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0025253 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0025253 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025253 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0025253 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0025253 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0025253 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0025253 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0025253 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0025253 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0025253 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0025253 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0025253 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0025253 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0025253 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0025253 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0025253 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0025253 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0025253 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0025253 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0025253 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0025253 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0025253 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0025253 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0025253 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 47) = ( 0.5000000 0.0114609 -0.0000000), wk = 0.0025253 k( 48) = ( 0.5000000 0.0229217 -0.0000000), wk = 0.0025253 k( 49) = ( 0.5000000 0.0343826 -0.0000000), wk = 0.0025253 k( 50) = ( 0.5000000 0.0458435 -0.0000000), wk = 0.0025253 k( 51) = ( 0.5000000 0.0573043 -0.0000000), wk = 0.0025253 k( 52) = ( 0.5000000 0.0687652 -0.0000000), wk = 0.0025253 k( 53) = ( 0.5000000 0.0802261 -0.0000000), wk = 0.0025253 k( 54) = ( 0.5000000 0.0916869 -0.0000000), wk = 0.0025253 k( 55) = ( 0.5000000 0.1031478 -0.0000000), wk = 0.0025253 k( 56) = ( 0.5000000 0.1146087 -0.0000000), wk = 0.0025253 k( 57) = ( 0.5000000 0.1260695 -0.0000000), wk = 0.0025253 k( 58) = ( 0.5000000 0.1375304 -0.0000000), wk = 0.0025253 k( 59) = ( 0.5000000 0.1489913 -0.0000000), wk = 0.0025253 k( 60) = ( 0.5000000 0.1604521 -0.0000000), wk = 0.0025253 k( 61) = ( 0.5000000 0.1719130 -0.0000000), wk = 0.0025253 k( 62) = ( 0.5000000 0.1833739 -0.0000000), wk = 0.0025253 k( 63) = ( 0.5000000 0.1948348 -0.0000000), wk = 0.0025253 k( 64) = ( 0.5000000 0.2062956 -0.0000000), wk = 0.0025253 k( 65) = ( 0.5000000 0.2177565 -0.0000000), wk = 0.0025253 k( 66) = ( 0.5000000 0.2292174 -0.0000000), wk = 0.0025253 k( 67) = ( 0.5000000 0.2406782 -0.0000000), wk = 0.0025253 k( 68) = ( 0.5000000 0.2521391 -0.0000000), wk = 0.0025253 k( 69) = ( 0.5000000 0.2636000 -0.0000000), wk = 0.0025253 k( 70) = ( 0.5000000 0.2750608 -0.0000000), wk = 0.0025253 k( 71) = ( 0.5000000 0.2865217 -0.0000000), wk = 0.0025253 k( 72) = ( 0.5000000 0.2979826 -0.0000000), wk = 0.0025253 k( 73) = ( 0.5000000 0.3094434 -0.0000000), wk = 0.0025253 k( 74) = ( 0.5000000 0.3209043 -0.0000000), wk = 0.0025253 k( 75) = ( 0.5000000 0.3323652 -0.0000000), wk = 0.0025253 k( 76) = ( 0.5000000 0.3438260 -0.0000000), wk = 0.0025253 k( 77) = ( 0.5000000 0.3552869 -0.0000000), wk = 0.0025253 k( 78) = ( 0.5000000 0.3667478 -0.0000000), wk = 0.0025253 k( 79) = ( 0.5000000 0.3782086 -0.0000000), wk = 0.0025253 k( 80) = ( 0.5000000 0.3896695 -0.0000000), wk = 0.0025253 k( 81) = ( 0.5000000 0.4011304 -0.0000000), wk = 0.0025253 k( 82) = ( 0.5000000 0.4125912 -0.0000000), wk = 0.0025253 k( 83) = ( 0.5000000 0.4240521 -0.0000000), wk = 0.0025253 k( 84) = ( 0.5000000 0.4240521 -0.0000000), wk = 0.0025253 k( 85) = ( 0.4886364 0.4240521 -0.0000000), wk = 0.0025253 k( 86) = ( 0.4772727 0.4240521 -0.0000000), wk = 0.0025253 k( 87) = ( 0.4659091 0.4240521 -0.0000000), wk = 0.0025253 k( 88) = ( 0.4545455 0.4240521 -0.0000000), wk = 0.0025253 k( 89) = ( 0.4431818 0.4240521 -0.0000000), wk = 0.0025253 k( 90) = ( 0.4318182 0.4240521 -0.0000000), wk = 0.0025253 k( 91) = ( 0.4204545 0.4240521 -0.0000000), wk = 0.0025253 k( 92) = ( 0.4090909 0.4240521 -0.0000000), wk = 0.0025253 k( 93) = ( 0.3977273 0.4240521 -0.0000000), wk = 0.0025253 k( 94) = ( 0.3863636 0.4240521 -0.0000000), wk = 0.0025253 k( 95) = ( 0.3750000 0.4240521 -0.0000000), wk = 0.0025253 k( 96) = ( 0.3636364 0.4240521 -0.0000000), wk = 0.0025253 k( 97) = ( 0.3522727 0.4240521 -0.0000000), wk = 0.0025253 k( 98) = ( 0.3409091 0.4240521 -0.0000000), wk = 0.0025253 k( 99) = ( 0.3295455 0.4240521 -0.0000000), wk = 0.0025253 k( 100) = ( 0.3181818 0.4240521 -0.0000000), wk = 0.0025253 k( 101) = ( 0.3068182 0.4240521 -0.0000000), wk = 0.0025253 k( 102) = ( 0.2954545 0.4240521 -0.0000000), wk = 0.0025253 k( 103) = ( 0.2840909 0.4240521 -0.0000000), wk = 0.0025253 k( 104) = ( 0.2727273 0.4240521 -0.0000000), wk = 0.0025253 k( 105) = ( 0.2613636 0.4240521 -0.0000000), wk = 0.0025253 k( 106) = ( 0.2500000 0.4240521 -0.0000000), wk = 0.0025253 k( 107) = ( 0.2386364 0.4240521 -0.0000000), wk = 0.0025253 k( 108) = ( 0.2272727 0.4240521 -0.0000000), wk = 0.0025253 k( 109) = ( 0.2159091 0.4240521 -0.0000000), wk = 0.0025253 k( 110) = ( 0.2045454 0.4240521 -0.0000000), wk = 0.0025253 k( 111) = ( 0.1931818 0.4240521 -0.0000000), wk = 0.0025253 k( 112) = ( 0.1818182 0.4240521 -0.0000000), wk = 0.0025253 k( 113) = ( 0.1704546 0.4240521 -0.0000000), wk = 0.0025253 k( 114) = ( 0.1590909 0.4240521 -0.0000000), wk = 0.0025253 k( 115) = ( 0.1477273 0.4240521 -0.0000000), wk = 0.0025253 k( 116) = ( 0.1363636 0.4240521 -0.0000000), wk = 0.0025253 k( 117) = ( 0.1250000 0.4240521 -0.0000000), wk = 0.0025253 k( 118) = ( 0.1136364 0.4240521 -0.0000000), wk = 0.0025253 k( 119) = ( 0.1022727 0.4240521 -0.0000000), wk = 0.0025253 k( 120) = ( 0.0909091 0.4240521 -0.0000000), wk = 0.0025253 k( 121) = ( 0.0795455 0.4240521 -0.0000000), wk = 0.0025253 k( 122) = ( 0.0681818 0.4240521 -0.0000000), wk = 0.0025253 k( 123) = ( 0.0568182 0.4240521 -0.0000000), wk = 0.0025253 k( 124) = ( 0.0454546 0.4240521 -0.0000000), wk = 0.0025253 k( 125) = ( 0.0340909 0.4240521 -0.0000000), wk = 0.0025253 k( 126) = ( 0.0227273 0.4240521 -0.0000000), wk = 0.0025253 k( 127) = ( 0.0113636 0.4240521 -0.0000000), wk = 0.0025253 k( 128) = ( 0.0000000 0.4240521 -0.0000000), wk = 0.0025253 k( 129) = ( 0.0000000 0.4240521 -0.0000000), wk = 0.0025253 k( 130) = ( 0.0000000 0.4125912 -0.0000000), wk = 0.0025253 k( 131) = ( 0.0000000 0.4011304 -0.0000000), wk = 0.0025253 k( 132) = ( 0.0000000 0.3896695 -0.0000000), wk = 0.0025253 k( 133) = ( 0.0000000 0.3782086 -0.0000000), wk = 0.0025253 k( 134) = ( 0.0000000 0.3667478 -0.0000000), wk = 0.0025253 k( 135) = ( 0.0000000 0.3552869 -0.0000000), wk = 0.0025253 k( 136) = ( 0.0000000 0.3438260 -0.0000000), wk = 0.0025253 k( 137) = ( 0.0000000 0.3323652 -0.0000000), wk = 0.0025253 k( 138) = ( 0.0000000 0.3209043 -0.0000000), wk = 0.0025253 k( 139) = ( 0.0000000 0.3094434 -0.0000000), wk = 0.0025253 k( 140) = ( 0.0000000 0.2979826 -0.0000000), wk = 0.0025253 k( 141) = ( 0.0000000 0.2865217 -0.0000000), wk = 0.0025253 k( 142) = ( 0.0000000 0.2750608 -0.0000000), wk = 0.0025253 k( 143) = ( 0.0000000 0.2636000 -0.0000000), wk = 0.0025253 k( 144) = ( 0.0000000 0.2521391 -0.0000000), wk = 0.0025253 k( 145) = ( 0.0000000 0.2406782 -0.0000000), wk = 0.0025253 k( 146) = ( 0.0000000 0.2292174 -0.0000000), wk = 0.0025253 k( 147) = ( 0.0000000 0.2177565 -0.0000000), wk = 0.0025253 k( 148) = ( 0.0000000 0.2062956 -0.0000000), wk = 0.0025253 k( 149) = ( 0.0000000 0.1948348 -0.0000000), wk = 0.0025253 k( 150) = ( 0.0000000 0.1833739 -0.0000000), wk = 0.0025253 k( 151) = ( 0.0000000 0.1719130 -0.0000000), wk = 0.0025253 k( 152) = ( 0.0000000 0.1604521 -0.0000000), wk = 0.0025253 k( 153) = ( 0.0000000 0.1489913 -0.0000000), wk = 0.0025253 k( 154) = ( 0.0000000 0.1375304 -0.0000000), wk = 0.0025253 k( 155) = ( 0.0000000 0.1260695 -0.0000000), wk = 0.0025253 k( 156) = ( 0.0000000 0.1146087 -0.0000000), wk = 0.0025253 k( 157) = ( 0.0000000 0.1031478 -0.0000000), wk = 0.0025253 k( 158) = ( 0.0000000 0.0916869 -0.0000000), wk = 0.0025253 k( 159) = ( 0.0000000 0.0802261 -0.0000000), wk = 0.0025253 k( 160) = ( 0.0000000 0.0687652 -0.0000000), wk = 0.0025253 k( 161) = ( 0.0000000 0.0573043 -0.0000000), wk = 0.0025253 k( 162) = ( 0.0000000 0.0458435 -0.0000000), wk = 0.0025253 k( 163) = ( 0.0000000 0.0343826 -0.0000000), wk = 0.0025253 k( 164) = ( 0.0000000 0.0229217 -0.0000000), wk = 0.0025253 k( 165) = ( 0.0000000 0.0114609 -0.0000000), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.0115956), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.0231912), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.0347868), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.0463823), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.0579779), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.0695735), wk = 0.0025253 k( 174) = ( 0.0000000 0.0000000 0.0811691), wk = 0.0025253 k( 175) = ( 0.0000000 0.0000000 0.0927647), wk = 0.0025253 k( 176) = ( 0.0000000 0.0000000 0.1043603), wk = 0.0025253 k( 177) = ( 0.0000000 0.0000000 0.1159559), wk = 0.0025253 k( 178) = ( 0.0000000 0.0000000 0.1275514), wk = 0.0025253 k( 179) = ( 0.0000000 0.0000000 0.1391470), wk = 0.0025253 k( 180) = ( 0.0000000 0.0000000 0.1507426), wk = 0.0025253 k( 181) = ( 0.0000000 0.0000000 0.1623382), wk = 0.0025253 k( 182) = ( 0.0000000 0.0000000 0.1739338), wk = 0.0025253 k( 183) = ( 0.0000000 0.0000000 0.1739338), wk = 0.0025253 k( 184) = ( 0.0113636 -0.0000000 0.1739338), wk = 0.0025253 k( 185) = ( 0.0227273 -0.0000000 0.1739338), wk = 0.0025253 k( 186) = ( 0.0340909 -0.0000000 0.1739338), wk = 0.0025253 k( 187) = ( 0.0454546 -0.0000000 0.1739338), wk = 0.0025253 k( 188) = ( 0.0568182 -0.0000000 0.1739338), wk = 0.0025253 k( 189) = ( 0.0681818 -0.0000000 0.1739338), wk = 0.0025253 k( 190) = ( 0.0795455 -0.0000000 0.1739338), wk = 0.0025253 k( 191) = ( 0.0909091 -0.0000000 0.1739338), wk = 0.0025253 k( 192) = ( 0.1022727 -0.0000000 0.1739338), wk = 0.0025253 k( 193) = ( 0.1136364 -0.0000000 0.1739338), wk = 0.0025253 k( 194) = ( 0.1250000 -0.0000000 0.1739338), wk = 0.0025253 k( 195) = ( 0.1363636 -0.0000000 0.1739338), wk = 0.0025253 k( 196) = ( 0.1477273 -0.0000000 0.1739338), wk = 0.0025253 k( 197) = ( 0.1590909 -0.0000000 0.1739338), wk = 0.0025253 k( 198) = ( 0.1704546 -0.0000000 0.1739338), wk = 0.0025253 k( 199) = ( 0.1818182 -0.0000000 0.1739338), wk = 0.0025253 k( 200) = ( 0.1931818 -0.0000000 0.1739338), wk = 0.0025253 k( 201) = ( 0.2045454 -0.0000000 0.1739338), wk = 0.0025253 k( 202) = ( 0.2159091 -0.0000000 0.1739338), wk = 0.0025253 k( 203) = ( 0.2272727 -0.0000000 0.1739338), wk = 0.0025253 k( 204) = ( 0.2386364 -0.0000000 0.1739338), wk = 0.0025253 k( 205) = ( 0.2500000 -0.0000000 0.1739338), wk = 0.0025253 k( 206) = ( 0.2613636 -0.0000000 0.1739338), wk = 0.0025253 k( 207) = ( 0.2727273 -0.0000000 0.1739338), wk = 0.0025253 k( 208) = ( 0.2840909 -0.0000000 0.1739338), wk = 0.0025253 k( 209) = ( 0.2954545 -0.0000000 0.1739338), wk = 0.0025253 k( 210) = ( 0.3068182 -0.0000000 0.1739338), wk = 0.0025253 k( 211) = ( 0.3181818 -0.0000000 0.1739338), wk = 0.0025253 k( 212) = ( 0.3295455 -0.0000000 0.1739338), wk = 0.0025253 k( 213) = ( 0.3409091 -0.0000000 0.1739338), wk = 0.0025253 k( 214) = ( 0.3522727 -0.0000000 0.1739338), wk = 0.0025253 k( 215) = ( 0.3636364 -0.0000000 0.1739338), wk = 0.0025253 k( 216) = ( 0.3750000 -0.0000000 0.1739338), wk = 0.0025253 k( 217) = ( 0.3863636 -0.0000000 0.1739338), wk = 0.0025253 k( 218) = ( 0.3977273 -0.0000000 0.1739338), wk = 0.0025253 k( 219) = ( 0.4090909 -0.0000000 0.1739338), wk = 0.0025253 k( 220) = ( 0.4204545 -0.0000000 0.1739338), wk = 0.0025253 k( 221) = ( 0.4318182 -0.0000000 0.1739338), wk = 0.0025253 k( 222) = ( 0.4431818 -0.0000000 0.1739338), wk = 0.0025253 k( 223) = ( 0.4545455 -0.0000000 0.1739338), wk = 0.0025253 k( 224) = ( 0.4659091 -0.0000000 0.1739338), wk = 0.0025253 k( 225) = ( 0.4772727 -0.0000000 0.1739338), wk = 0.0025253 k( 226) = ( 0.4886364 -0.0000000 0.1739338), wk = 0.0025253 k( 227) = ( 0.5000000 -0.0000000 0.1739338), wk = 0.0025253 k( 228) = ( 0.5000000 -0.0000000 0.1739338), wk = 0.0025253 k( 229) = ( 0.5000000 0.0114609 0.1739338), wk = 0.0025253 k( 230) = ( 0.5000000 0.0229217 0.1739338), wk = 0.0025253 k( 231) = ( 0.5000000 0.0343826 0.1739338), wk = 0.0025253 k( 232) = ( 0.5000000 0.0458435 0.1739338), wk = 0.0025253 k( 233) = ( 0.5000000 0.0573043 0.1739338), wk = 0.0025253 k( 234) = ( 0.5000000 0.0687652 0.1739338), wk = 0.0025253 k( 235) = ( 0.5000000 0.0802261 0.1739338), wk = 0.0025253 k( 236) = ( 0.5000000 0.0916869 0.1739338), wk = 0.0025253 k( 237) = ( 0.5000000 0.1031478 0.1739338), wk = 0.0025253 k( 238) = ( 0.5000000 0.1146087 0.1739338), wk = 0.0025253 k( 239) = ( 0.5000000 0.1260695 0.1739338), wk = 0.0025253 k( 240) = ( 0.5000000 0.1375304 0.1739338), wk = 0.0025253 k( 241) = ( 0.5000000 0.1489913 0.1739338), wk = 0.0025253 k( 242) = ( 0.5000000 0.1604521 0.1739338), wk = 0.0025253 k( 243) = ( 0.5000000 0.1719130 0.1739338), wk = 0.0025253 k( 244) = ( 0.5000000 0.1833739 0.1739338), wk = 0.0025253 k( 245) = ( 0.5000000 0.1948348 0.1739338), wk = 0.0025253 k( 246) = ( 0.5000000 0.2062956 0.1739338), wk = 0.0025253 k( 247) = ( 0.5000000 0.2177565 0.1739338), wk = 0.0025253 k( 248) = ( 0.5000000 0.2292174 0.1739338), wk = 0.0025253 k( 249) = ( 0.5000000 0.2406782 0.1739338), wk = 0.0025253 k( 250) = ( 0.5000000 0.2521391 0.1739338), wk = 0.0025253 k( 251) = ( 0.5000000 0.2636000 0.1739338), wk = 0.0025253 k( 252) = ( 0.5000000 0.2750608 0.1739338), wk = 0.0025253 k( 253) = ( 0.5000000 0.2865217 0.1739338), wk = 0.0025253 k( 254) = ( 0.5000000 0.2979826 0.1739338), wk = 0.0025253 k( 255) = ( 0.5000000 0.3094434 0.1739338), wk = 0.0025253 k( 256) = ( 0.5000000 0.3209043 0.1739338), wk = 0.0025253 k( 257) = ( 0.5000000 0.3323652 0.1739338), wk = 0.0025253 k( 258) = ( 0.5000000 0.3438260 0.1739338), wk = 0.0025253 k( 259) = ( 0.5000000 0.3552869 0.1739338), wk = 0.0025253 k( 260) = ( 0.5000000 0.3667478 0.1739338), wk = 0.0025253 k( 261) = ( 0.5000000 0.3782086 0.1739338), wk = 0.0025253 k( 262) = ( 0.5000000 0.3896695 0.1739338), wk = 0.0025253 k( 263) = ( 0.5000000 0.4011304 0.1739338), wk = 0.0025253 k( 264) = ( 0.5000000 0.4125912 0.1739338), wk = 0.0025253 k( 265) = ( 0.5000000 0.4240521 0.1739338), wk = 0.0025253 k( 266) = ( 0.5000000 0.4240521 0.1739338), wk = 0.0025253 k( 267) = ( 0.4886364 0.4240521 0.1739338), wk = 0.0025253 k( 268) = ( 0.4772727 0.4240521 0.1739338), wk = 0.0025253 k( 269) = ( 0.4659091 0.4240521 0.1739338), wk = 0.0025253 k( 270) = ( 0.4545455 0.4240521 0.1739338), wk = 0.0025253 k( 271) = ( 0.4431818 0.4240521 0.1739338), wk = 0.0025253 k( 272) = ( 0.4318182 0.4240521 0.1739338), wk = 0.0025253 k( 273) = ( 0.4204545 0.4240521 0.1739338), wk = 0.0025253 k( 274) = ( 0.4090909 0.4240521 0.1739338), wk = 0.0025253 k( 275) = ( 0.3977273 0.4240521 0.1739338), wk = 0.0025253 k( 276) = ( 0.3863636 0.4240521 0.1739338), wk = 0.0025253 k( 277) = ( 0.3750000 0.4240521 0.1739338), wk = 0.0025253 k( 278) = ( 0.3636364 0.4240521 0.1739338), wk = 0.0025253 k( 279) = ( 0.3522727 0.4240521 0.1739338), wk = 0.0025253 k( 280) = ( 0.3409091 0.4240521 0.1739338), wk = 0.0025253 k( 281) = ( 0.3295455 0.4240521 0.1739338), wk = 0.0025253 k( 282) = ( 0.3181818 0.4240521 0.1739338), wk = 0.0025253 k( 283) = ( 0.3068182 0.4240521 0.1739338), wk = 0.0025253 k( 284) = ( 0.2954545 0.4240521 0.1739338), wk = 0.0025253 k( 285) = ( 0.2840909 0.4240521 0.1739338), wk = 0.0025253 k( 286) = ( 0.2727273 0.4240521 0.1739338), wk = 0.0025253 k( 287) = ( 0.2613636 0.4240521 0.1739338), wk = 0.0025253 k( 288) = ( 0.2500000 0.4240521 0.1739338), wk = 0.0025253 k( 289) = ( 0.2386364 0.4240521 0.1739338), wk = 0.0025253 k( 290) = ( 0.2272727 0.4240521 0.1739338), wk = 0.0025253 k( 291) = ( 0.2159091 0.4240521 0.1739338), wk = 0.0025253 k( 292) = ( 0.2045454 0.4240521 0.1739338), wk = 0.0025253 k( 293) = ( 0.1931818 0.4240521 0.1739338), wk = 0.0025253 k( 294) = ( 0.1818182 0.4240521 0.1739338), wk = 0.0025253 k( 295) = ( 0.1704546 0.4240521 0.1739338), wk = 0.0025253 k( 296) = ( 0.1590909 0.4240521 0.1739338), wk = 0.0025253 k( 297) = ( 0.1477273 0.4240521 0.1739338), wk = 0.0025253 k( 298) = ( 0.1363636 0.4240521 0.1739338), wk = 0.0025253 k( 299) = ( 0.1250000 0.4240521 0.1739338), wk = 0.0025253 k( 300) = ( 0.1136364 0.4240521 0.1739338), wk = 0.0025253 k( 301) = ( 0.1022727 0.4240521 0.1739338), wk = 0.0025253 k( 302) = ( 0.0909091 0.4240521 0.1739338), wk = 0.0025253 k( 303) = ( 0.0795455 0.4240521 0.1739338), wk = 0.0025253 k( 304) = ( 0.0681818 0.4240521 0.1739338), wk = 0.0025253 k( 305) = ( 0.0568182 0.4240521 0.1739338), wk = 0.0025253 k( 306) = ( 0.0454546 0.4240521 0.1739338), wk = 0.0025253 k( 307) = ( 0.0340909 0.4240521 0.1739338), wk = 0.0025253 k( 308) = ( 0.0227273 0.4240521 0.1739338), wk = 0.0025253 k( 309) = ( 0.0113636 0.4240521 0.1739338), wk = 0.0025253 k( 310) = ( 0.0000000 0.4240521 0.1739338), wk = 0.0025253 k( 311) = ( 0.0000000 0.4240521 0.1739338), wk = 0.0025253 k( 312) = ( 0.0000000 0.4125912 0.1739338), wk = 0.0025253 k( 313) = ( 0.0000000 0.4011304 0.1739338), wk = 0.0025253 k( 314) = ( 0.0000000 0.3896695 0.1739338), wk = 0.0025253 k( 315) = ( 0.0000000 0.3782086 0.1739338), wk = 0.0025253 k( 316) = ( 0.0000000 0.3667478 0.1739338), wk = 0.0025253 k( 317) = ( 0.0000000 0.3552869 0.1739338), wk = 0.0025253 k( 318) = ( 0.0000000 0.3438260 0.1739338), wk = 0.0025253 k( 319) = ( 0.0000000 0.3323652 0.1739338), wk = 0.0025253 k( 320) = ( 0.0000000 0.3209043 0.1739338), wk = 0.0025253 k( 321) = ( 0.0000000 0.3094434 0.1739338), wk = 0.0025253 k( 322) = ( 0.0000000 0.2979826 0.1739338), wk = 0.0025253 k( 323) = ( 0.0000000 0.2865217 0.1739338), wk = 0.0025253 k( 324) = ( 0.0000000 0.2750608 0.1739338), wk = 0.0025253 k( 325) = ( 0.0000000 0.2636000 0.1739338), wk = 0.0025253 k( 326) = ( 0.0000000 0.2521391 0.1739338), wk = 0.0025253 k( 327) = ( 0.0000000 0.2406782 0.1739338), wk = 0.0025253 k( 328) = ( 0.0000000 0.2292174 0.1739338), wk = 0.0025253 k( 329) = ( 0.0000000 0.2177565 0.1739338), wk = 0.0025253 k( 330) = ( 0.0000000 0.2062956 0.1739338), wk = 0.0025253 k( 331) = ( 0.0000000 0.1948348 0.1739338), wk = 0.0025253 k( 332) = ( 0.0000000 0.1833739 0.1739338), wk = 0.0025253 k( 333) = ( 0.0000000 0.1719130 0.1739338), wk = 0.0025253 k( 334) = ( 0.0000000 0.1604521 0.1739338), wk = 0.0025253 k( 335) = ( 0.0000000 0.1489913 0.1739338), wk = 0.0025253 k( 336) = ( 0.0000000 0.1375304 0.1739338), wk = 0.0025253 k( 337) = ( 0.0000000 0.1260695 0.1739338), wk = 0.0025253 k( 338) = ( 0.0000000 0.1146087 0.1739338), wk = 0.0025253 k( 339) = ( 0.0000000 0.1031478 0.1739338), wk = 0.0025253 k( 340) = ( 0.0000000 0.0916869 0.1739338), wk = 0.0025253 k( 341) = ( 0.0000000 0.0802261 0.1739338), wk = 0.0025253 k( 342) = ( 0.0000000 0.0687652 0.1739338), wk = 0.0025253 k( 343) = ( 0.0000000 0.0573043 0.1739338), wk = 0.0025253 k( 344) = ( 0.0000000 0.0458435 0.1739338), wk = 0.0025253 k( 345) = ( 0.0000000 0.0343826 0.1739338), wk = 0.0025253 k( 346) = ( 0.0000000 0.0229217 0.1739338), wk = 0.0025253 k( 347) = ( 0.0000000 0.0114609 0.1739338), wk = 0.0025253 k( 348) = ( 0.0000000 0.0000000 0.1739338), wk = 0.0025253 k( 349) = ( 0.0000000 0.4240521 -0.0000000), wk = 0.0025253 k( 350) = ( 0.0000000 0.4240521 0.0115956), wk = 0.0025253 k( 351) = ( 0.0000000 0.4240521 0.0231912), wk = 0.0025253 k( 352) = ( 0.0000000 0.4240521 0.0347868), wk = 0.0025253 k( 353) = ( 0.0000000 0.4240521 0.0463823), wk = 0.0025253 k( 354) = ( 0.0000000 0.4240521 0.0579779), wk = 0.0025253 k( 355) = ( 0.0000000 0.4240521 0.0695735), wk = 0.0025253 k( 356) = ( 0.0000000 0.4240521 0.0811691), wk = 0.0025253 k( 357) = ( 0.0000000 0.4240521 0.0927647), wk = 0.0025253 k( 358) = ( 0.0000000 0.4240521 0.1043603), wk = 0.0025253 k( 359) = ( 0.0000000 0.4240521 0.1159559), wk = 0.0025253 k( 360) = ( 0.0000000 0.4240521 0.1275514), wk = 0.0025253 k( 361) = ( 0.0000000 0.4240521 0.1391470), wk = 0.0025253 k( 362) = ( 0.0000000 0.4240521 0.1507426), wk = 0.0025253 k( 363) = ( 0.0000000 0.4240521 0.1623382), wk = 0.0025253 k( 364) = ( 0.0000000 0.4240521 0.1739338), wk = 0.0025253 k( 365) = ( 0.5000000 -0.0000000 0.1739338), wk = 0.0025253 k( 366) = ( 0.5000000 -0.0000000 0.1623382), wk = 0.0025253 k( 367) = ( 0.5000000 -0.0000000 0.1507426), wk = 0.0025253 k( 368) = ( 0.5000000 -0.0000000 0.1391470), wk = 0.0025253 k( 369) = ( 0.5000000 -0.0000000 0.1275514), wk = 0.0025253 k( 370) = ( 0.5000000 -0.0000000 0.1159559), wk = 0.0025253 k( 371) = ( 0.5000000 -0.0000000 0.1043603), wk = 0.0025253 k( 372) = ( 0.5000000 -0.0000000 0.0927647), wk = 0.0025253 k( 373) = ( 0.5000000 -0.0000000 0.0811691), wk = 0.0025253 k( 374) = ( 0.5000000 -0.0000000 0.0695735), wk = 0.0025253 k( 375) = ( 0.5000000 -0.0000000 0.0579779), wk = 0.0025253 k( 376) = ( 0.5000000 -0.0000000 0.0463823), wk = 0.0025253 k( 377) = ( 0.5000000 -0.0000000 0.0347868), wk = 0.0025253 k( 378) = ( 0.5000000 -0.0000000 0.0231912), wk = 0.0025253 k( 379) = ( 0.5000000 -0.0000000 0.0115956), wk = 0.0025253 k( 380) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 381) = ( 0.5000000 0.4240521 -0.0000000), wk = 0.0025253 k( 382) = ( 0.5000000 0.4240521 0.0115956), wk = 0.0025253 k( 383) = ( 0.5000000 0.4240521 0.0231912), wk = 0.0025253 k( 384) = ( 0.5000000 0.4240521 0.0347868), wk = 0.0025253 k( 385) = ( 0.5000000 0.4240521 0.0463823), wk = 0.0025253 k( 386) = ( 0.5000000 0.4240521 0.0579779), wk = 0.0025253 k( 387) = ( 0.5000000 0.4240521 0.0695735), wk = 0.0025253 k( 388) = ( 0.5000000 0.4240521 0.0811691), wk = 0.0025253 k( 389) = ( 0.5000000 0.4240521 0.0927647), wk = 0.0025253 k( 390) = ( 0.5000000 0.4240521 0.1043603), wk = 0.0025253 k( 391) = ( 0.5000000 0.4240521 0.1159559), wk = 0.0025253 k( 392) = ( 0.5000000 0.4240521 0.1275514), wk = 0.0025253 k( 393) = ( 0.5000000 0.4240521 0.1391470), wk = 0.0025253 k( 394) = ( 0.5000000 0.4240521 0.1507426), wk = 0.0025253 k( 395) = ( 0.5000000 0.4240521 0.1623382), wk = 0.0025253 k( 396) = ( 0.5000000 0.4240521 0.1739338), wk = 0.0025253 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0025253 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0025253 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0025253 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0025253 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0025253 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0025253 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0025253 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0025253 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0025253 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0025253 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0025253 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0025253 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0025253 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0025253 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0025253 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0025253 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0025253 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0025253 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0025253 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0025253 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0025253 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025253 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0025253 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0025253 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0025253 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0025253 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0025253 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0025253 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0025253 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0025253 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0025253 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0025253 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025253 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0025253 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0025253 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0025253 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0025253 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0025253 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0025253 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0025253 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0025253 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0025253 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0025253 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 47) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0025253 k( 48) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0025253 k( 49) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0025253 k( 50) = ( 0.5000000 0.0540540 0.0000000), wk = 0.0025253 k( 51) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0025253 k( 52) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0025253 k( 53) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0025253 k( 54) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0025253 k( 55) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0025253 k( 56) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0025253 k( 57) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0025253 k( 58) = ( 0.5000000 0.1621622 0.0000000), wk = 0.0025253 k( 59) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0025253 k( 60) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0025253 k( 61) = ( 0.5000000 0.2027027 0.0000000), wk = 0.0025253 k( 62) = ( 0.5000000 0.2162162 0.0000000), wk = 0.0025253 k( 63) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0025253 k( 64) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0025253 k( 65) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0025253 k( 66) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0025253 k( 67) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0025253 k( 68) = ( 0.5000000 0.2972973 0.0000000), wk = 0.0025253 k( 69) = ( 0.5000000 0.3108108 -0.0000000), wk = 0.0025253 k( 70) = ( 0.5000000 0.3243243 0.0000000), wk = 0.0025253 k( 71) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0025253 k( 72) = ( 0.5000000 0.3513513 0.0000000), wk = 0.0025253 k( 73) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0025253 k( 74) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0025253 k( 75) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0025253 k( 76) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0025253 k( 77) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0025253 k( 78) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0025253 k( 79) = ( 0.5000000 0.4459459 0.0000000), wk = 0.0025253 k( 80) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0025253 k( 81) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0025253 k( 82) = ( 0.5000000 0.4864865 -0.0000000), wk = 0.0025253 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 85) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0025253 k( 86) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0025253 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0025253 k( 88) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0025253 k( 89) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0025253 k( 90) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0025253 k( 91) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0025253 k( 92) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025253 k( 93) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0025253 k( 94) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0025253 k( 95) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025253 k( 96) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0025253 k( 97) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0025253 k( 98) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0025253 k( 99) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0025253 k( 100) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025253 k( 101) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0025253 k( 102) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0025253 k( 103) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0025253 k( 104) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0025253 k( 105) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0025253 k( 106) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025253 k( 107) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0025253 k( 108) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0025253 k( 109) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0025253 k( 110) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0025253 k( 111) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0025253 k( 112) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025253 k( 113) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0025253 k( 114) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0025253 k( 115) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0025253 k( 116) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0025253 k( 117) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025253 k( 118) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0025253 k( 119) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0025253 k( 120) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0025253 k( 121) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0025253 k( 122) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0025253 k( 123) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0025253 k( 124) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0025253 k( 125) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0025253 k( 126) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0025253 k( 127) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0025253 k( 128) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 129) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 130) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0025253 k( 131) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0025253 k( 132) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0025253 k( 133) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0025253 k( 134) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0025253 k( 135) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0025253 k( 136) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0025253 k( 137) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0025253 k( 138) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0025253 k( 139) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0025253 k( 140) = ( 0.0000000 0.3513513 -0.0000000), wk = 0.0025253 k( 141) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0025253 k( 142) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0025253 k( 143) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0025253 k( 144) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0025253 k( 145) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0025253 k( 146) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0025253 k( 147) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0025253 k( 148) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0025253 k( 149) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0025253 k( 150) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0025253 k( 151) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0025253 k( 152) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0025253 k( 153) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0025253 k( 154) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0025253 k( 155) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0025253 k( 156) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0025253 k( 157) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0025253 k( 158) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0025253 k( 159) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0025253 k( 160) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0025253 k( 161) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0025253 k( 162) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0025253 k( 163) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0025253 k( 164) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0025253 k( 165) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025253 k( 174) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0025253 k( 175) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0025253 k( 176) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025253 k( 177) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025253 k( 178) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0025253 k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025253 k( 180) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0025253 k( 181) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0025253 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 184) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0025253 k( 185) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0025253 k( 186) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0025253 k( 187) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0025253 k( 188) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0025253 k( 189) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0025253 k( 190) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0025253 k( 191) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0025253 k( 192) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0025253 k( 193) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0025253 k( 194) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0025253 k( 195) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0025253 k( 196) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0025253 k( 197) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0025253 k( 198) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0025253 k( 199) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0025253 k( 200) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0025253 k( 201) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0025253 k( 202) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0025253 k( 203) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0025253 k( 204) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0025253 k( 205) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025253 k( 206) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0025253 k( 207) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0025253 k( 208) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0025253 k( 209) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0025253 k( 210) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0025253 k( 211) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0025253 k( 212) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0025253 k( 213) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0025253 k( 214) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0025253 k( 215) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0025253 k( 216) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0025253 k( 217) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0025253 k( 218) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0025253 k( 219) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0025253 k( 220) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0025253 k( 221) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0025253 k( 222) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0025253 k( 223) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0025253 k( 224) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0025253 k( 225) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0025253 k( 226) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0025253 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 229) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0025253 k( 230) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0025253 k( 231) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0025253 k( 232) = ( 0.5000000 0.0540540 0.5000000), wk = 0.0025253 k( 233) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0025253 k( 234) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0025253 k( 235) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0025253 k( 236) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0025253 k( 237) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0025253 k( 238) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0025253 k( 239) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0025253 k( 240) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0025253 k( 241) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0025253 k( 242) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0025253 k( 243) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0025253 k( 244) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0025253 k( 245) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0025253 k( 246) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0025253 k( 247) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0025253 k( 248) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0025253 k( 249) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0025253 k( 250) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0025253 k( 251) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0025253 k( 252) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0025253 k( 253) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0025253 k( 254) = ( 0.5000000 0.3513513 0.5000000), wk = 0.0025253 k( 255) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0025253 k( 256) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0025253 k( 257) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0025253 k( 258) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0025253 k( 259) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0025253 k( 260) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0025253 k( 261) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0025253 k( 262) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0025253 k( 263) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0025253 k( 264) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0025253 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 267) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0025253 k( 268) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0025253 k( 269) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0025253 k( 270) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025253 k( 271) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0025253 k( 272) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0025253 k( 273) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0025253 k( 274) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025253 k( 275) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0025253 k( 276) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0025253 k( 277) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025253 k( 278) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025253 k( 279) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0025253 k( 280) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0025253 k( 281) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0025253 k( 282) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025253 k( 283) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0025253 k( 284) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0025253 k( 285) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0025253 k( 286) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025253 k( 287) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0025253 k( 288) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025253 k( 289) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0025253 k( 290) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025253 k( 291) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0025253 k( 292) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0025253 k( 293) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0025253 k( 294) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025253 k( 295) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0025253 k( 296) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0025253 k( 297) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0025253 k( 298) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025253 k( 299) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025253 k( 300) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0025253 k( 301) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0025253 k( 302) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025253 k( 303) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0025253 k( 304) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0025253 k( 305) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0025253 k( 306) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025253 k( 307) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0025253 k( 308) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0025253 k( 309) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0025253 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 312) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0025253 k( 313) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0025253 k( 314) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0025253 k( 315) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0025253 k( 316) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0025253 k( 317) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0025253 k( 318) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0025253 k( 319) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0025253 k( 320) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0025253 k( 321) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0025253 k( 322) = ( 0.0000000 0.3513513 0.5000000), wk = 0.0025253 k( 323) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0025253 k( 324) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0025253 k( 325) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0025253 k( 326) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0025253 k( 327) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0025253 k( 328) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0025253 k( 329) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0025253 k( 330) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0025253 k( 331) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0025253 k( 332) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0025253 k( 333) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0025253 k( 334) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0025253 k( 335) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0025253 k( 336) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0025253 k( 337) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0025253 k( 338) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0025253 k( 339) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0025253 k( 340) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0025253 k( 341) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0025253 k( 342) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0025253 k( 343) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0025253 k( 344) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0025253 k( 345) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0025253 k( 346) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0025253 k( 347) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0025253 k( 348) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 349) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 350) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0025253 k( 351) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0025253 k( 352) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025253 k( 353) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0025253 k( 354) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025253 k( 355) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025253 k( 356) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0025253 k( 357) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0025253 k( 358) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025253 k( 359) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025253 k( 360) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0025253 k( 361) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025253 k( 362) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0025253 k( 363) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0025253 k( 364) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 365) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 366) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0025253 k( 367) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0025253 k( 368) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025253 k( 369) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0025253 k( 370) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0025253 k( 371) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025253 k( 372) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0025253 k( 373) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0025253 k( 374) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025253 k( 375) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0025253 k( 376) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0025253 k( 377) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025253 k( 378) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0025253 k( 379) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0025253 k( 380) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 381) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 382) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0025253 k( 383) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0025253 k( 384) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025253 k( 385) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0025253 k( 386) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025253 k( 387) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025253 k( 388) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0025253 k( 389) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0025253 k( 390) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025253 k( 391) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025253 k( 392) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0025253 k( 393) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025253 k( 394) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0025253 k( 395) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0025253 k( 396) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 Dense grid: 45899 G-vectors FFT dimensions: ( 30, 36, 90) Smooth grid: 37905 G-vectors FFT dimensions: ( 27, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 208, 48) NL pseudopotentials 0.30 Mb ( 104, 192) Each V/rho on FFT grid 0.03 Mb ( 2160) Each G-vector array 0.01 Mb ( 961) G-vector shells 0.00 Mb ( 471) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 208, 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 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.6 secs Computing kpt #: 4 total cpu time spent up to now is 47.7 secs Computing kpt #: 5 total cpu time spent up to now is 49.5 secs Computing kpt #: 6 total cpu time spent up to now is 51.5 secs Computing kpt #: 7 total cpu time spent up to now is 53.8 secs Computing kpt #: 8 total cpu time spent up to now is 55.8 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 60.0 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 64.9 secs Computing kpt #: 14 total cpu time spent up to now is 66.5 secs Computing kpt #: 15 total cpu time spent up to now is 68.0 secs Computing kpt #: 16 total cpu time spent up to now is 69.9 secs Computing kpt #: 17 total cpu time spent up to now is 71.6 secs Computing kpt #: 18 total cpu time spent up to now is 73.2 secs Computing kpt #: 19 total cpu time spent up to now is 75.0 secs Computing kpt #: 20 total cpu time spent up to now is 76.8 secs Computing kpt #: 21 total cpu time spent up to now is 78.5 secs Computing kpt #: 22 total cpu time spent up to now is 80.5 secs Computing kpt #: 23 total cpu time spent up to now is 82.5 secs Computing kpt #: 24 total cpu time spent up to now is 84.6 secs Computing kpt #: 25 total cpu time spent up to now is 86.6 secs Computing kpt #: 26 total cpu time spent up to now is 88.8 secs Computing kpt #: 27 total cpu time spent up to now is 90.7 secs Computing kpt #: 28 total cpu time spent up to now is 92.3 secs Computing kpt #: 29 total cpu time spent up to now is 93.9 secs Computing kpt #: 30 total cpu time spent up to now is 95.6 secs Computing kpt #: 31 total cpu time spent up to now is 97.1 secs Computing kpt #: 32 total cpu time spent up to now is 98.4 secs Computing kpt #: 33 total cpu time spent up to now is 99.9 secs Computing kpt #: 34 total cpu time spent up to now is 101.2 secs Computing kpt #: 35 total cpu time spent up to now is 102.6 secs Computing kpt #: 36 total cpu time spent up to now is 104.0 secs Computing kpt #: 37 total cpu time spent up to now is 105.5 secs Computing kpt #: 38 total cpu time spent up to now is 107.1 secs Computing kpt #: 39 total cpu time spent up to now is 108.6 secs Computing kpt #: 40 total cpu time spent up to now is 110.0 secs Computing kpt #: 41 total cpu time spent up to now is 111.6 secs Computing kpt #: 42 total cpu time spent up to now is 113.4 secs Computing kpt #: 43 total cpu time spent up to now is 114.9 secs Computing kpt #: 44 total cpu time spent up to now is 116.3 secs Computing kpt #: 45 total cpu time spent up to now is 117.8 secs Computing kpt #: 46 total cpu time spent up to now is 119.3 secs Computing kpt #: 47 total cpu time spent up to now is 120.8 secs Computing kpt #: 48 total cpu time spent up to now is 122.3 secs Computing kpt #: 49 total cpu time spent up to now is 123.9 secs Computing kpt #: 50 total cpu time spent up to now is 125.4 secs Computing kpt #: 51 total cpu time spent up to now is 126.8 secs Computing kpt #: 52 total cpu time spent up to now is 128.2 secs Computing kpt #: 53 total cpu time spent up to now is 129.9 secs Computing kpt #: 54 total cpu time spent up to now is 131.3 secs Computing kpt #: 55 total cpu time spent up to now is 132.7 secs Computing kpt #: 56 total cpu time spent up to now is 134.0 secs Computing kpt #: 57 total cpu time spent up to now is 135.4 secs Computing kpt #: 58 total cpu time spent up to now is 136.9 secs Computing kpt #: 59 total cpu time spent up to now is 138.2 secs Computing kpt #: 60 total cpu time spent up to now is 139.6 secs Computing kpt #: 61 total cpu time spent up to now is 141.0 secs Computing kpt #: 62 total cpu time spent up to now is 142.5 secs Computing kpt #: 63 total cpu time spent up to now is 144.1 secs Computing kpt #: 64 total cpu time spent up to now is 145.6 secs Computing kpt #: 65 total cpu time spent up to now is 147.1 secs Computing kpt #: 66 total cpu time spent up to now is 148.7 secs Computing kpt #: 67 total cpu time spent up to now is 150.2 secs Computing kpt #: 68 total cpu time spent up to now is 151.7 secs Computing kpt #: 69 total cpu time spent up to now is 153.3 secs Computing kpt #: 70 total cpu time spent up to now is 154.8 secs Computing kpt #: 71 total cpu time spent up to now is 156.4 secs Computing kpt #: 72 total cpu time spent up to now is 157.9 secs Computing kpt #: 73 total cpu time spent up to now is 159.5 secs Computing kpt #: 74 total cpu time spent up to now is 161.2 secs Computing kpt #: 75 total cpu time spent up to now is 162.8 secs Computing kpt #: 76 total cpu time spent up to now is 164.3 secs Computing kpt #: 77 total cpu time spent up to now is 165.8 secs Computing kpt #: 78 total cpu time spent up to now is 167.5 secs Computing kpt #: 79 total cpu time spent up to now is 169.0 secs Computing kpt #: 80 total cpu time spent up to now is 170.5 secs Computing kpt #: 81 total cpu time spent up to now is 172.1 secs Computing kpt #: 82 total cpu time spent up to now is 173.7 secs Computing kpt #: 83 total cpu time spent up to now is 175.1 secs Computing kpt #: 84 total cpu time spent up to now is 176.6 secs Computing kpt #: 85 total cpu time spent up to now is 178.2 secs Computing kpt #: 86 total cpu time spent up to now is 179.7 secs Computing kpt #: 87 total cpu time spent up to now is 181.2 secs Computing kpt #: 88 total cpu time spent up to now is 182.7 secs Computing kpt #: 89 total cpu time spent up to now is 184.5 secs Computing kpt #: 90 total cpu time spent up to now is 186.0 secs Computing kpt #: 91 total cpu time spent up to now is 187.6 secs Computing kpt #: 92 total cpu time spent up to now is 189.1 secs Computing kpt #: 93 total cpu time spent up to now is 190.7 secs Computing kpt #: 94 total cpu time spent up to now is 192.2 secs Computing kpt #: 95 total cpu time spent up to now is 193.7 secs Computing kpt #: 96 total cpu time spent up to now is 195.4 secs Computing kpt #: 97 total cpu time spent up to now is 197.0 secs Computing kpt #: 98 total cpu time spent up to now is 198.5 secs Computing kpt #: 99 total cpu time spent up to now is 200.1 secs Computing kpt #: 100 total cpu time spent up to now is 201.8 secs Computing kpt #: 101 total cpu time spent up to now is 203.2 secs Computing kpt #: 102 total cpu time spent up to now is 204.6 secs Computing kpt #: 103 total cpu time spent up to now is 206.0 secs Computing kpt #: 104 total cpu time spent up to now is 207.5 secs Computing kpt #: 105 total cpu time spent up to now is 208.9 secs Computing kpt #: 106 total cpu time spent up to now is 210.3 secs Computing kpt #: 107 total cpu time spent up to now is 211.6 secs Computing kpt #: 108 total cpu time spent up to now is 213.0 secs Computing kpt #: 109 total cpu time spent up to now is 214.4 secs Computing kpt #: 110 total cpu time spent up to now is 215.9 secs Computing kpt #: 111 total cpu time spent up to now is 217.2 secs Computing kpt #: 112 total cpu time spent up to now is 218.5 secs Computing kpt #: 113 total cpu time spent up to now is 219.9 secs Computing kpt #: 114 total cpu time spent up to now is 221.3 secs Computing kpt #: 115 total cpu time spent up to now is 222.6 secs Computing kpt #: 116 total cpu time spent up to now is 223.9 secs Computing kpt #: 117 total cpu time spent up to now is 225.3 secs Computing kpt #: 118 total cpu time spent up to now is 226.7 secs Computing kpt #: 119 total cpu time spent up to now is 228.0 secs Computing kpt #: 120 total cpu time spent up to now is 229.3 secs Computing kpt #: 121 total cpu time spent up to now is 230.6 secs Computing kpt #: 122 total cpu time spent up to now is 232.2 secs Computing kpt #: 123 total cpu time spent up to now is 233.7 secs Computing kpt #: 124 total cpu time spent up to now is 235.3 secs Computing kpt #: 125 total cpu time spent up to now is 236.9 secs Computing kpt #: 126 total cpu time spent up to now is 238.6 secs Computing kpt #: 127 total cpu time spent up to now is 240.2 secs Computing kpt #: 128 total cpu time spent up to now is 241.7 secs Computing kpt #: 129 total cpu time spent up to now is 243.2 secs Computing kpt #: 130 total cpu time spent up to now is 245.0 secs Computing kpt #: 131 total cpu time spent up to now is 246.9 secs Computing kpt #: 132 total cpu time spent up to now is 248.6 secs Computing kpt #: 133 total cpu time spent up to now is 250.6 secs Computing kpt #: 134 total cpu time spent up to now is 252.3 secs Computing kpt #: 135 total cpu time spent up to now is 253.9 secs Computing kpt #: 136 total cpu time spent up to now is 255.9 secs Computing kpt #: 137 total cpu time spent up to now is 257.6 secs Computing kpt #: 138 total cpu time spent up to now is 259.1 secs Computing kpt #: 139 total cpu time spent up to now is 260.8 secs Computing kpt #: 140 total cpu time spent up to now is 262.6 secs Computing kpt #: 141 total cpu time spent up to now is 264.4 secs Computing kpt #: 142 total cpu time spent up to now is 266.3 secs Computing kpt #: 143 total cpu time spent up to now is 268.3 secs Computing kpt #: 144 total cpu time spent up to now is 270.3 secs Computing kpt #: 145 total cpu time spent up to now is 272.3 secs Computing kpt #: 146 total cpu time spent up to now is 274.4 secs Computing kpt #: 147 total cpu time spent up to now is 276.4 secs Computing kpt #: 148 total cpu time spent up to now is 278.1 secs Computing kpt #: 149 total cpu time spent up to now is 279.9 secs Computing kpt #: 150 total cpu time spent up to now is 281.7 secs Computing kpt #: 151 total cpu time spent up to now is 283.6 secs Computing kpt #: 152 total cpu time spent up to now is 285.7 secs Computing kpt #: 153 total cpu time spent up to now is 287.6 secs Computing kpt #: 154 total cpu time spent up to now is 289.5 secs Computing kpt #: 155 total cpu time spent up to now is 291.8 secs Computing kpt #: 156 total cpu time spent up to now is 293.9 secs Computing kpt #: 157 total cpu time spent up to now is 295.7 secs Computing kpt #: 158 total cpu time spent up to now is 297.6 secs Computing kpt #: 159 total cpu time spent up to now is 299.4 secs Computing kpt #: 160 total cpu time spent up to now is 301.2 secs Computing kpt #: 161 total cpu time spent up to now is 303.0 secs Computing kpt #: 162 total cpu time spent up to now is 304.8 secs Computing kpt #: 163 total cpu time spent up to now is 306.5 secs Computing kpt #: 164 total cpu time spent up to now is 308.2 secs Computing kpt #: 165 total cpu time spent up to now is 310.0 secs Computing kpt #: 166 total cpu time spent up to now is 312.0 secs Computing kpt #: 167 total cpu time spent up to now is 313.7 secs Computing kpt #: 168 total cpu time spent up to now is 315.4 secs Computing kpt #: 169 total cpu time spent up to now is 317.2 secs Computing kpt #: 170 total cpu time spent up to now is 318.9 secs Computing kpt #: 171 total cpu time spent up to now is 320.6 secs Computing kpt #: 172 total cpu time spent up to now is 322.2 secs Computing kpt #: 173 total cpu time spent up to now is 323.9 secs Computing kpt #: 174 total cpu time spent up to now is 325.5 secs Computing kpt #: 175 total cpu time spent up to now is 327.1 secs Computing kpt #: 176 total cpu time spent up to now is 328.9 secs Computing kpt #: 177 total cpu time spent up to now is 330.4 secs Computing kpt #: 178 total cpu time spent up to now is 331.9 secs Computing kpt #: 179 total cpu time spent up to now is 333.5 secs Computing kpt #: 180 total cpu time spent up to now is 335.2 secs Computing kpt #: 181 total cpu time spent up to now is 336.7 secs Computing kpt #: 182 total cpu time spent up to now is 338.3 secs Computing kpt #: 183 total cpu time spent up to now is 339.8 secs Computing kpt #: 184 total cpu time spent up to now is 341.4 secs Computing kpt #: 185 total cpu time spent up to now is 342.9 secs Computing kpt #: 186 total cpu time spent up to now is 344.5 secs Computing kpt #: 187 total cpu time spent up to now is 346.0 secs Computing kpt #: 188 total cpu time spent up to now is 347.7 secs Computing kpt #: 189 total cpu time spent up to now is 349.3 secs Computing kpt #: 190 total cpu time spent up to now is 350.9 secs Computing kpt #: 191 total cpu time spent up to now is 352.5 secs Computing kpt #: 192 total cpu time spent up to now is 354.2 secs Computing kpt #: 193 total cpu time spent up to now is 355.8 secs Computing kpt #: 194 total cpu time spent up to now is 357.6 secs Computing kpt #: 195 total cpu time spent up to now is 359.6 secs Computing kpt #: 196 total cpu time spent up to now is 361.9 secs Computing kpt #: 197 total cpu time spent up to now is 364.0 secs Computing kpt #: 198 total cpu time spent up to now is 366.1 secs Computing kpt #: 199 total cpu time spent up to now is 368.0 secs Computing kpt #: 200 total cpu time spent up to now is 369.8 secs Computing kpt #: 201 total cpu time spent up to now is 372.2 secs Computing kpt #: 202 total cpu time spent up to now is 374.1 secs Computing kpt #: 203 total cpu time spent up to now is 375.9 secs Computing kpt #: 204 total cpu time spent up to now is 377.7 secs Computing kpt #: 205 total cpu time spent up to now is 379.5 secs Computing kpt #: 206 total cpu time spent up to now is 381.2 secs Computing kpt #: 207 total cpu time spent up to now is 383.3 secs Computing kpt #: 208 total cpu time spent up to now is 384.9 secs Computing kpt #: 209 total cpu time spent up to now is 386.5 secs Computing kpt #: 210 total cpu time spent up to now is 388.5 secs Computing kpt #: 211 total cpu time spent up to now is 390.1 secs Computing kpt #: 212 total cpu time spent up to now is 391.7 secs Computing kpt #: 213 total cpu time spent up to now is 393.2 secs Computing kpt #: 214 total cpu time spent up to now is 394.8 secs Computing kpt #: 215 total cpu time spent up to now is 396.3 secs Computing kpt #: 216 total cpu time spent up to now is 397.9 secs Computing kpt #: 217 total cpu time spent up to now is 399.4 secs Computing kpt #: 218 total cpu time spent up to now is 401.2 secs Computing kpt #: 219 total cpu time spent up to now is 402.8 secs Computing kpt #: 220 total cpu time spent up to now is 404.3 secs Computing kpt #: 221 total cpu time spent up to now is 406.0 secs Computing kpt #: 222 total cpu time spent up to now is 407.8 secs Computing kpt #: 223 total cpu time spent up to now is 409.3 secs Computing kpt #: 224 total cpu time spent up to now is 410.9 secs Computing kpt #: 225 total cpu time spent up to now is 412.5 secs Computing kpt #: 226 total cpu time spent up to now is 414.0 secs Computing kpt #: 227 total cpu time spent up to now is 415.6 secs Computing kpt #: 228 total cpu time spent up to now is 417.4 secs Computing kpt #: 229 total cpu time spent up to now is 419.1 secs Computing kpt #: 230 total cpu time spent up to now is 420.6 secs Computing kpt #: 231 total cpu time spent up to now is 422.1 secs Computing kpt #: 232 total cpu time spent up to now is 423.8 secs Computing kpt #: 233 total cpu time spent up to now is 425.4 secs Computing kpt #: 234 total cpu time spent up to now is 426.9 secs Computing kpt #: 235 total cpu time spent up to now is 428.3 secs Computing kpt #: 236 total cpu time spent up to now is 429.8 secs Computing kpt #: 237 total cpu time spent up to now is 431.2 secs Computing kpt #: 238 total cpu time spent up to now is 432.5 secs Computing kpt #: 239 total cpu time spent up to now is 433.9 secs Computing kpt #: 240 total cpu time spent up to now is 435.3 secs Computing kpt #: 241 total cpu time spent up to now is 436.7 secs Computing kpt #: 242 total cpu time spent up to now is 438.0 secs Computing kpt #: 243 total cpu time spent up to now is 439.4 secs Computing kpt #: 244 total cpu time spent up to now is 440.7 secs Computing kpt #: 245 total cpu time spent up to now is 442.1 secs Computing kpt #: 246 total cpu time spent up to now is 443.5 secs Computing kpt #: 247 total cpu time spent up to now is 444.9 secs Computing kpt #: 248 total cpu time spent up to now is 446.4 secs Computing kpt #: 249 total cpu time spent up to now is 447.9 secs Computing kpt #: 250 total cpu time spent up to now is 449.3 secs Computing kpt #: 251 total cpu time spent up to now is 450.9 secs Computing kpt #: 252 total cpu time spent up to now is 452.4 secs Computing kpt #: 253 total cpu time spent up to now is 454.0 secs Computing kpt #: 254 total cpu time spent up to now is 455.6 secs Computing kpt #: 255 total cpu time spent up to now is 457.0 secs Computing kpt #: 256 total cpu time spent up to now is 458.4 secs Computing kpt #: 257 total cpu time spent up to now is 459.8 secs Computing kpt #: 258 total cpu time spent up to now is 461.2 secs Computing kpt #: 259 total cpu time spent up to now is 462.6 secs Computing kpt #: 260 total cpu time spent up to now is 464.0 secs Computing kpt #: 261 total cpu time spent up to now is 465.4 secs Computing kpt #: 262 total cpu time spent up to now is 466.9 secs Computing kpt #: 263 total cpu time spent up to now is 468.2 secs Computing kpt #: 264 total cpu time spent up to now is 469.6 secs Computing kpt #: 265 total cpu time spent up to now is 471.1 secs Computing kpt #: 266 total cpu time spent up to now is 472.6 secs Computing kpt #: 267 total cpu time spent up to now is 473.9 secs Computing kpt #: 268 total cpu time spent up to now is 475.3 secs Computing kpt #: 269 total cpu time spent up to now is 476.7 secs Computing kpt #: 270 total cpu time spent up to now is 478.3 secs Computing kpt #: 271 total cpu time spent up to now is 479.6 secs Computing kpt #: 272 total cpu time spent up to now is 481.0 secs Computing kpt #: 273 total cpu time spent up to now is 482.4 secs Computing kpt #: 274 total cpu time spent up to now is 483.8 secs Computing kpt #: 275 total cpu time spent up to now is 485.2 secs Computing kpt #: 276 total cpu time spent up to now is 486.7 secs Computing kpt #: 277 total cpu time spent up to now is 488.2 secs Computing kpt #: 278 total cpu time spent up to now is 489.7 secs Computing kpt #: 279 total cpu time spent up to now is 491.3 secs Computing kpt #: 280 total cpu time spent up to now is 492.8 secs Computing kpt #: 281 total cpu time spent up to now is 494.3 secs Computing kpt #: 282 total cpu time spent up to now is 495.9 secs Computing kpt #: 283 total cpu time spent up to now is 497.5 secs Computing kpt #: 284 total cpu time spent up to now is 499.1 secs Computing kpt #: 285 total cpu time spent up to now is 500.8 secs Computing kpt #: 286 total cpu time spent up to now is 502.4 secs Computing kpt #: 287 total cpu time spent up to now is 504.1 secs Computing kpt #: 288 total cpu time spent up to now is 505.8 secs Computing kpt #: 289 total cpu time spent up to now is 507.6 secs Computing kpt #: 290 total cpu time spent up to now is 509.2 secs Computing kpt #: 291 total cpu time spent up to now is 510.7 secs Computing kpt #: 292 total cpu time spent up to now is 512.2 secs Computing kpt #: 293 total cpu time spent up to now is 513.9 secs Computing kpt #: 294 total cpu time spent up to now is 515.5 secs Computing kpt #: 295 total cpu time spent up to now is 516.8 secs Computing kpt #: 296 total cpu time spent up to now is 518.3 secs Computing kpt #: 297 total cpu time spent up to now is 519.6 secs Computing kpt #: 298 total cpu time spent up to now is 521.1 secs Computing kpt #: 299 total cpu time spent up to now is 522.4 secs Computing kpt #: 300 total cpu time spent up to now is 523.7 secs Computing kpt #: 301 total cpu time spent up to now is 525.0 secs Computing kpt #: 302 total cpu time spent up to now is 526.3 secs Computing kpt #: 303 total cpu time spent up to now is 527.6 secs Computing kpt #: 304 total cpu time spent up to now is 528.9 secs Computing kpt #: 305 total cpu time spent up to now is 530.2 secs Computing kpt #: 306 total cpu time spent up to now is 531.6 secs Computing kpt #: 307 total cpu time spent up to now is 533.1 secs Computing kpt #: 308 total cpu time spent up to now is 534.6 secs Computing kpt #: 309 total cpu time spent up to now is 536.1 secs Computing kpt #: 310 total cpu time spent up to now is 537.7 secs Computing kpt #: 311 total cpu time spent up to now is 539.2 secs Computing kpt #: 312 total cpu time spent up to now is 540.5 secs Computing kpt #: 313 total cpu time spent up to now is 541.9 secs Computing kpt #: 314 total cpu time spent up to now is 543.5 secs Computing kpt #: 315 total cpu time spent up to now is 544.8 secs Computing kpt #: 316 total cpu time spent up to now is 546.3 secs Computing kpt #: 317 total cpu time spent up to now is 547.8 secs Computing kpt #: 318 total cpu time spent up to now is 549.4 secs Computing kpt #: 319 total cpu time spent up to now is 551.0 secs Computing kpt #: 320 total cpu time spent up to now is 552.6 secs Computing kpt #: 321 total cpu time spent up to now is 554.2 secs Computing kpt #: 322 total cpu time spent up to now is 556.0 secs Computing kpt #: 323 total cpu time spent up to now is 557.7 secs Computing kpt #: 324 total cpu time spent up to now is 559.4 secs Computing kpt #: 325 total cpu time spent up to now is 561.2 secs Computing kpt #: 326 total cpu time spent up to now is 563.0 secs Computing kpt #: 327 total cpu time spent up to now is 564.7 secs Computing kpt #: 328 total cpu time spent up to now is 566.3 secs Computing kpt #: 329 total cpu time spent up to now is 568.1 secs Computing kpt #: 330 total cpu time spent up to now is 569.8 secs Computing kpt #: 331 total cpu time spent up to now is 571.5 secs Computing kpt #: 332 total cpu time spent up to now is 573.3 secs Computing kpt #: 333 total cpu time spent up to now is 575.0 secs Computing kpt #: 334 total cpu time spent up to now is 576.6 secs Computing kpt #: 335 total cpu time spent up to now is 578.3 secs Computing kpt #: 336 total cpu time spent up to now is 580.0 secs Computing kpt #: 337 total cpu time spent up to now is 581.7 secs Computing kpt #: 338 total cpu time spent up to now is 583.3 secs Computing kpt #: 339 total cpu time spent up to now is 585.0 secs Computing kpt #: 340 total cpu time spent up to now is 586.6 secs Computing kpt #: 341 total cpu time spent up to now is 588.2 secs Computing kpt #: 342 total cpu time spent up to now is 589.7 secs Computing kpt #: 343 total cpu time spent up to now is 591.4 secs Computing kpt #: 344 total cpu time spent up to now is 593.1 secs Computing kpt #: 345 total cpu time spent up to now is 594.6 secs Computing kpt #: 346 total cpu time spent up to now is 596.1 secs Computing kpt #: 347 total cpu time spent up to now is 597.7 secs Computing kpt #: 348 total cpu time spent up to now is 599.3 secs Computing kpt #: 349 total cpu time spent up to now is 600.8 secs Computing kpt #: 350 total cpu time spent up to now is 602.4 secs Computing kpt #: 351 total cpu time spent up to now is 604.2 secs Computing kpt #: 352 total cpu time spent up to now is 606.0 secs Computing kpt #: 353 total cpu time spent up to now is 607.7 secs Computing kpt #: 354 total cpu time spent up to now is 609.4 secs Computing kpt #: 355 total cpu time spent up to now is 611.1 secs Computing kpt #: 356 total cpu time spent up to now is 612.8 secs Computing kpt #: 357 total cpu time spent up to now is 614.3 secs Computing kpt #: 358 total cpu time spent up to now is 615.9 secs Computing kpt #: 359 total cpu time spent up to now is 617.5 secs Computing kpt #: 360 total cpu time spent up to now is 619.0 secs Computing kpt #: 361 total cpu time spent up to now is 620.4 secs Computing kpt #: 362 total cpu time spent up to now is 622.2 secs Computing kpt #: 363 total cpu time spent up to now is 623.8 secs Computing kpt #: 364 total cpu time spent up to now is 625.1 secs Computing kpt #: 365 total cpu time spent up to now is 626.6 secs Computing kpt #: 366 total cpu time spent up to now is 628.2 secs Computing kpt #: 367 total cpu time spent up to now is 629.8 secs Computing kpt #: 368 total cpu time spent up to now is 631.4 secs Computing kpt #: 369 total cpu time spent up to now is 632.9 secs Computing kpt #: 370 total cpu time spent up to now is 634.6 secs Computing kpt #: 371 total cpu time spent up to now is 636.1 secs Computing kpt #: 372 total cpu time spent up to now is 637.7 secs Computing kpt #: 373 total cpu time spent up to now is 639.2 secs Computing kpt #: 374 total cpu time spent up to now is 640.8 secs Computing kpt #: 375 total cpu time spent up to now is 642.2 secs Computing kpt #: 376 total cpu time spent up to now is 643.7 secs Computing kpt #: 377 total cpu time spent up to now is 645.3 secs Computing kpt #: 378 total cpu time spent up to now is 646.7 secs Computing kpt #: 379 total cpu time spent up to now is 648.2 secs Computing kpt #: 380 total cpu time spent up to now is 649.7 secs Computing kpt #: 381 total cpu time spent up to now is 651.0 secs Computing kpt #: 382 total cpu time spent up to now is 652.6 secs Computing kpt #: 383 total cpu time spent up to now is 654.0 secs Computing kpt #: 384 total cpu time spent up to now is 655.4 secs Computing kpt #: 385 total cpu time spent up to now is 656.8 secs Computing kpt #: 386 total cpu time spent up to now is 658.2 secs Computing kpt #: 387 total cpu time spent up to now is 660.1 secs Computing kpt #: 388 total cpu time spent up to now is 661.5 secs Computing kpt #: 389 total cpu time spent up to now is 662.9 secs Computing kpt #: 390 total cpu time spent up to now is 664.3 secs Computing kpt #: 391 total cpu time spent up to now is 665.8 secs Computing kpt #: 392 total cpu time spent up to now is 667.2 secs Computing kpt #: 393 total cpu time spent up to now is 668.5 secs Computing kpt #: 394 total cpu time spent up to now is 670.0 secs Computing kpt #: 395 total cpu time spent up to now is 671.4 secs Computing kpt #: 396 total cpu time spent up to now is 672.8 secs ethr = 2.50E-11, avg # of iterations = 25.8 total cpu time spent up to now is 673.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4719 PWs) bands (ev): -8.5784 -8.5784 -8.1942 -8.1942 -6.9891 -6.9891 -6.3510 -6.3510 -1.9996 -1.9996 -1.3771 -1.3771 0.2463 0.2463 0.9120 0.9120 1.1617 1.1617 1.9650 1.9650 2.2209 2.2209 2.4668 2.4668 2.5492 2.5492 2.9262 2.9262 3.8256 3.8256 4.0035 4.0035 4.3845 4.3845 5.2078 5.2078 5.2124 5.2124 6.0660 6.0660 7.1698 7.1698 8.6088 8.6088 8.8082 8.8082 9.0870 9.0870 k = 0.0114-0.0000-0.0000 ( 4717 PWs) bands (ev): -8.5773 -8.5773 -8.1932 -8.1932 -6.9883 -6.9883 -6.3506 -6.3506 -2.0007 -2.0007 -1.3785 -1.3785 0.2470 0.2470 0.9108 0.9108 1.1569 1.1569 1.9661 1.9661 2.2216 2.2216 2.4600 2.4600 2.5544 2.5544 2.9232 2.9232 3.8252 3.8252 4.0037 4.0037 4.3811 4.3811 5.2096 5.2096 5.2136 5.2136 6.0657 6.0657 7.1710 7.1710 8.6133 8.6133 8.8142 8.8142 9.0898 9.0898 k = 0.0227-0.0000-0.0000 ( 4719 PWs) bands (ev): -8.5741 -8.5741 -8.1902 -8.1902 -6.9860 -6.9860 -6.3493 -6.3493 -2.0039 -2.0039 -1.3830 -1.3830 0.2492 0.2492 0.9069 0.9069 1.1425 1.1425 1.9693 1.9693 2.2239 2.2239 2.4431 2.4431 2.5667 2.5667 2.9143 2.9143 3.8242 3.8242 4.0043 4.0043 4.3712 4.3712 5.2124 5.2124 5.2196 5.2196 6.0644 6.0644 7.1746 7.1746 8.6264 8.6264 8.8320 8.8320 9.0979 9.0979 k = 0.0341-0.0000-0.0000 ( 4727 PWs) bands (ev): -8.5687 -8.5687 -8.1852 -8.1852 -6.9822 -6.9822 -6.3471 -6.3471 -2.0094 -2.0094 -1.3904 -1.3904 0.2528 0.2528 0.9005 0.9005 1.1188 1.1188 1.9747 1.9747 2.2278 2.2278 2.4203 2.4203 2.5820 2.5820 2.8998 2.8998 3.8227 3.8227 4.0053 4.0053 4.3551 4.3551 5.2149 5.2149 5.2316 5.2316 6.0621 6.0621 7.1806 7.1806 8.6479 8.6479 8.8614 8.8614 9.1093 9.1093 k = 0.0455-0.0000-0.0000 ( 4723 PWs) bands (ev): -8.5612 -8.5612 -8.1782 -8.1782 -6.9768 -6.9768 -6.3441 -6.3441 -2.0171 -2.0171 -1.4008 -1.4008 0.2576 0.2576 0.8917 0.8917 1.0858 1.0858 1.9822 1.9822 2.2332 2.2332 2.3941 2.3941 2.5982 2.5982 2.8802 2.8802 3.8209 3.8209 4.0066 4.0066 4.3335 4.3335 5.2179 5.2179 5.2482 5.2482 6.0585 6.0585 7.1888 7.1888 8.6775 8.6775 8.9019 8.9019 9.1190 9.1190 k = 0.0568-0.0000-0.0000 ( 4725 PWs) bands (ev): -8.5516 -8.5516 -8.1691 -8.1691 -6.9700 -6.9700 -6.3402 -6.3402 -2.0269 -2.0269 -1.4142 -1.4142 0.2636 0.2636 0.8804 0.8804 1.0439 1.0439 1.9917 1.9917 2.2402 2.2402 2.3656 2.3656 2.6146 2.6146 2.8560 2.8560 3.8190 3.8190 4.0080 4.0080 4.3072 4.3072 5.2214 5.2214 5.2688 5.2688 6.0530 6.0530 7.1993 7.1993 8.7142 8.7142 8.9526 8.9526 9.1176 9.1176 k = 0.0682-0.0000-0.0000 ( 4732 PWs) bands (ev): -8.5399 -8.5399 -8.1581 -8.1581 -6.9616 -6.9616 -6.3357 -6.3357 -2.0390 -2.0390 -1.4306 -1.4306 0.2704 0.2704 0.8668 0.8668 0.9935 0.9935 2.0034 2.0034 2.2488 2.2488 2.3354 2.3354 2.6311 2.6311 2.8281 2.8281 3.8174 3.8174 4.0092 4.0092 4.2773 4.2773 5.2253 5.2253 5.2928 5.2928 6.0453 6.0453 7.2118 7.2118 8.7571 8.7571 9.0125 9.0125 9.0983 9.0983 k = 0.0795-0.0000-0.0000 ( 4734 PWs) bands (ev): -8.5260 -8.5260 -8.1451 -8.1451 -6.9519 -6.9519 -6.3304 -6.3304 -2.0533 -2.0533 -1.4498 -1.4498 0.2778 0.2778 0.8511 0.8511 0.9349 0.9349 2.0170 2.0170 2.2590 2.2590 2.3043 2.3043 2.6472 2.6472 2.7976 2.7976 3.8162 3.8162 4.0098 4.0098 4.2453 4.2453 5.2296 5.2296 5.3198 5.3198 6.0349 6.0349 7.2262 7.2262 8.8048 8.8048 9.0613 9.0613 9.0804 9.0804 k = 0.0909-0.0000-0.0000 ( 4746 PWs) bands (ev): -8.5101 -8.5101 -8.1302 -8.1302 -6.9408 -6.9408 -6.3244 -6.3244 -2.0699 -2.0699 -1.4720 -1.4720 0.2853 0.2853 0.8336 0.8336 0.8687 0.8687 2.0325 2.0325 2.2679 2.2679 2.2756 2.2756 2.6621 2.6621 2.7662 2.7662 3.8159 3.8159 4.0088 4.0088 4.2129 4.2129 5.2340 5.2340 5.3490 5.3490 6.0214 6.0214 7.2426 7.2426 8.8553 8.8553 9.0075 9.0075 9.1539 9.1539 k = 0.1023-0.0000-0.0000 ( 4746 PWs) bands (ev): -8.4920 -8.4920 -8.1133 -8.1133 -6.9283 -6.9283 -6.3179 -6.3179 -2.0888 -2.0888 -1.4969 -1.4969 0.2921 0.2921 0.7954 0.7954 0.8150 0.8150 2.0496 2.0496 2.2407 2.2407 2.2851 2.2851 2.6720 2.6720 2.7388 2.7388 3.8166 3.8166 4.0047 4.0047 4.1826 4.1826 5.2386 5.2386 5.3800 5.3800 6.0044 6.0044 7.2607 7.2607 8.9033 8.9033 8.9416 8.9416 9.2090 9.2090 k = 0.1136-0.0000-0.0000 ( 4742 PWs) bands (ev): -8.4719 -8.4719 -8.0945 -8.0945 -6.9146 -6.9146 -6.3109 -6.3109 -2.1099 -2.1099 -1.5246 -1.5246 0.2974 0.2974 0.7156 0.7156 0.7958 0.7958 2.0681 2.0681 2.2107 2.2107 2.3001 2.3001 2.6642 2.6642 2.7288 2.7288 3.8185 3.8185 3.9955 3.9955 4.1574 4.1574 5.2430 5.2430 5.4123 5.4123 5.9837 5.9837 7.2805 7.2805 8.8510 8.8510 8.9611 8.9611 9.2015 9.2015 k = 0.1250-0.0000-0.0000 ( 4740 PWs) bands (ev): -8.4497 -8.4497 -8.0738 -8.0738 -6.8996 -6.8996 -6.3036 -6.3036 -2.1332 -2.1332 -1.5550 -1.5550 0.3000 0.3000 0.6298 0.6298 0.7774 0.7774 2.0868 2.0868 2.1833 2.1833 2.3167 2.3167 2.6371 2.6371 2.7387 2.7387 3.8216 3.8216 3.9794 3.9794 4.1397 4.1397 5.2473 5.2473 5.4453 5.4453 5.9592 5.9592 7.3018 7.3018 8.7574 8.7574 9.0079 9.0079 9.1784 9.1784 k = 0.1364-0.0000-0.0000 ( 4744 PWs) bands (ev): -8.4255 -8.4255 -8.0512 -8.0512 -6.8835 -6.8835 -6.2959 -6.2959 -2.1587 -2.1587 -1.5878 -1.5878 0.2981 0.2981 0.5387 0.5387 0.7612 0.7612 2.1017 2.1017 2.1628 2.1628 2.3349 2.3349 2.6044 2.6044 2.7558 2.7558 3.8260 3.8260 3.9565 3.9565 4.1302 4.1302 5.2512 5.2512 5.4786 5.4786 5.9306 5.9306 7.3248 7.3248 8.6550 8.6550 9.0486 9.0486 9.1449 9.1449 k = 0.1477-0.0000-0.0000 ( 4748 PWs) bands (ev): -8.3992 -8.3992 -8.0268 -8.0268 -6.8663 -6.8663 -6.2881 -6.2881 -2.1863 -2.1863 -1.6229 -1.6229 0.2901 0.2901 0.4429 0.4429 0.7489 0.7489 2.1010 2.1010 2.1614 2.1614 2.3546 2.3546 2.5715 2.5715 2.7754 2.7754 3.8317 3.8317 3.9291 3.9291 4.1274 4.1274 5.2548 5.2548 5.5117 5.5117 5.8982 5.8982 7.3492 7.3492 8.5469 8.5469 9.0640 9.0640 9.1194 9.1194 k = 0.1591-0.0000-0.0000 ( 4752 PWs) bands (ev): -8.3710 -8.3710 -8.0006 -8.0006 -6.8482 -6.8482 -6.2803 -6.2803 -2.2160 -2.2160 -1.6600 -1.6600 0.2743 0.2743 0.3429 0.3429 0.7421 0.7421 2.0852 2.0852 2.1787 2.1787 2.3757 2.3757 2.5405 2.5405 2.7964 2.7964 3.8383 3.8383 3.9001 3.9001 4.1292 4.1292 5.2577 5.2577 5.5441 5.5441 5.8619 5.8619 7.3750 7.3750 8.4353 8.4353 9.0207 9.0207 9.1364 9.1364 k = 0.1705-0.0000-0.0000 ( 4752 PWs) bands (ev): -8.3408 -8.3408 -7.9725 -7.9725 -6.8292 -6.8292 -6.2726 -6.2726 -2.2477 -2.2477 -1.6990 -1.6990 0.2390 0.2390 0.2497 0.2497 0.7423 0.7423 2.0665 2.0665 2.2023 2.2023 2.3980 2.3980 2.5128 2.5128 2.8184 2.8184 3.8434 3.8434 3.8739 3.8739 4.1339 4.1339 5.2601 5.2601 5.5753 5.5753 5.8221 5.8221 7.4021 7.4021 8.3221 8.3221 8.9563 8.9563 9.1594 9.1594 k = 0.1818-0.0000-0.0000 ( 4748 PWs) bands (ev): -8.3087 -8.3087 -7.9428 -7.9428 -6.8095 -6.8095 -6.2652 -6.2652 -2.2811 -2.2811 -1.7394 -1.7394 0.1326 0.1326 0.2151 0.2151 0.7497 0.7497 2.0491 2.0491 2.2272 2.2272 2.4217 2.4217 2.4898 2.4898 2.8411 2.8411 3.8332 3.8332 3.8655 3.8655 4.1404 4.1404 5.2617 5.2617 5.6046 5.6046 5.7791 5.7791 7.4305 7.4305 8.2088 8.2088 8.8838 8.8838 9.1762 9.1762 k = 0.1932-0.0000-0.0000 ( 4738 PWs) bands (ev): -8.2746 -8.2746 -7.9113 -7.9113 -6.7892 -6.7892 -6.2583 -6.2583 -2.3161 -2.3161 -1.7810 -1.7810 0.0234 0.0234 0.1716 0.1716 0.7642 0.7642 2.0343 2.0343 2.2510 2.2510 2.4463 2.4463 2.4735 2.4735 2.8643 2.8643 3.8099 3.8099 3.8737 3.8737 4.1480 4.1480 5.2625 5.2625 5.6307 5.6307 5.7340 5.7340 7.4600 7.4600 8.0969 8.0969 8.8065 8.8065 9.1839 9.1839 k = 0.2045-0.0000-0.0000 ( 4738 PWs) bands (ev): -8.2387 -8.2387 -7.8781 -7.8781 -6.7683 -6.7683 -6.2520 -6.2520 -2.3526 -2.3526 -1.8233 -1.8233 -0.0879 -0.0879 0.1199 0.1199 0.7849 0.7849 2.0225 2.0225 2.2713 2.2713 2.4653 2.4653 2.4729 2.4729 2.8878 2.8878 3.7867 3.7867 3.8851 3.8851 4.1564 4.1564 5.2623 5.2623 5.6473 5.6473 5.6927 5.6927 7.4904 7.4904 7.9880 7.9880 8.7262 8.7262 9.1802 9.1802 k = 0.2159-0.0000-0.0000 ( 4742 PWs) bands (ev): -8.2009 -8.2009 -7.8434 -7.8434 -6.7472 -6.7472 -6.2466 -6.2466 -2.3902 -2.3902 -1.8660 -1.8660 -0.2008 -0.2008 0.0611 0.0611 0.8111 0.8111 2.0139 2.0139 2.2857 2.2857 2.4700 2.4700 2.4991 2.4991 2.9116 2.9116 3.7658 3.7658 3.8980 3.8980 4.1653 4.1653 5.2612 5.2612 5.6208 5.6208 5.6887 5.6887 7.5212 7.5212 7.8836 7.8836 8.6445 8.6445 9.1631 9.1631 k = 0.2273-0.0000-0.0000 ( 4742 PWs) bands (ev): -8.1613 -8.1613 -7.8071 -7.8071 -6.7260 -6.7260 -6.2423 -6.2423 -2.4287 -2.4287 -1.9086 -1.9086 -0.3149 -0.3149 -0.0038 -0.0038 0.8419 0.8419 2.0087 2.0087 2.2936 2.2936 2.4865 2.4865 2.5266 2.5266 2.9354 2.9354 3.7475 3.7475 3.9118 3.9118 4.1745 4.1745 5.2589 5.2589 5.5700 5.5700 5.7025 5.7025 7.5512 7.5512 7.7861 7.7861 8.5625 8.5625 9.1309 9.1309 k = 0.2386-0.0000-0.0000 ( 4738 PWs) bands (ev): -8.1200 -8.1200 -7.7693 -7.7693 -6.7047 -6.7047 -6.2392 -6.2392 -2.4678 -2.4678 -1.9506 -1.9506 -0.4298 -0.4298 -0.0739 -0.0739 0.8767 0.8767 2.0067 2.0067 2.2969 2.2969 2.5134 2.5134 2.5546 2.5546 2.9591 2.9591 3.7318 3.7318 3.9263 3.9263 4.1838 4.1838 5.2555 5.2555 5.5151 5.5151 5.7138 5.7138 7.5756 7.5756 7.7017 7.7017 8.4812 8.4812 9.0835 9.0835 k = 0.2500-0.0000-0.0000 ( 4730 PWs) bands (ev): -8.0769 -8.0769 -7.7301 -7.7301 -6.6837 -6.6837 -6.2376 -6.2376 -2.5071 -2.5071 -1.9916 -1.9916 -0.5451 -0.5451 -0.1484 -0.1484 0.9148 0.9148 2.0080 2.0080 2.2983 2.2983 2.5480 2.5480 2.5832 2.5832 2.9823 2.9823 3.7185 3.7185 3.9412 3.9412 4.1933 4.1933 5.2509 5.2509 5.4583 5.4583 5.7197 5.7197 7.5650 7.5650 7.6607 7.6607 8.4016 8.4016 9.0227 9.0227 k = 0.2614-0.0000-0.0000 ( 4732 PWs) bands (ev): -8.0322 -8.0322 -7.6895 -7.6895 -6.6632 -6.6632 -6.2377 -6.2377 -2.5463 -2.5463 -2.0310 -2.0310 -0.6605 -0.6605 -0.2265 -0.2265 0.9560 0.9560 2.0124 2.0124 2.3002 2.3002 2.5878 2.5878 2.6121 2.6121 3.0049 3.0049 3.7073 3.7073 3.9562 3.9562 4.2029 4.2029 5.2449 5.2449 5.4005 5.4005 5.7189 5.7189 7.5061 7.5061 7.6774 7.6774 8.3242 8.3242 8.9517 8.9517 k = 0.2727-0.0000-0.0000 ( 4720 PWs) bands (ev): -7.9859 -7.9859 -7.6476 -7.6476 -6.6434 -6.6434 -6.2398 -6.2398 -2.5849 -2.5849 -2.0685 -2.0685 -0.7757 -0.7757 -0.3076 -0.3076 0.9998 0.9998 2.0197 2.0197 2.3039 2.3039 2.6313 2.6313 2.6413 2.6413 3.0266 3.0266 3.6977 3.6977 3.9713 3.9713 4.2127 4.2127 5.2376 5.2376 5.3424 5.3424 5.7104 5.7104 7.4435 7.4435 7.7081 7.7081 8.2497 8.2497 8.8737 8.8737 k = 0.2841-0.0000-0.0000 ( 4726 PWs) bands (ev): -7.9381 -7.9381 -7.6045 -7.6045 -6.6245 -6.6245 -6.2441 -6.2441 -2.6225 -2.6225 -2.1035 -2.1035 -0.8903 -0.8903 -0.3912 -0.3912 1.0460 1.0460 2.0298 2.0298 2.3101 2.3101 2.6689 2.6689 2.6794 2.6794 3.0472 3.0472 3.6894 3.6894 3.9861 3.9861 4.2227 4.2227 5.2288 5.2288 5.2845 5.2845 5.6937 5.6937 7.3891 7.3891 7.7415 7.7415 8.1785 8.1785 8.7911 8.7911 k = 0.2955-0.0000-0.0000 ( 4734 PWs) bands (ev): -7.8888 -7.8888 -7.5604 -7.5604 -6.6067 -6.6067 -6.2507 -6.2507 -2.6587 -2.6587 -2.1356 -2.1356 -1.0040 -1.0040 -0.4767 -0.4767 1.0943 1.0943 2.0422 2.0422 2.3192 2.3192 2.6976 2.6976 2.7285 2.7285 3.0664 3.0664 3.6816 3.6816 4.0005 4.0005 4.2332 4.2332 5.2185 5.2185 5.2274 5.2274 5.6684 5.6684 7.3451 7.3451 7.7752 7.7752 8.1111 8.1111 8.7052 8.7052 k = 0.3068-0.0000-0.0000 ( 4730 PWs) bands (ev): -7.8381 -7.8381 -7.5152 -7.5152 -6.5904 -6.5904 -6.2600 -6.2600 -2.6931 -2.6931 -2.1642 -2.1642 -1.1166 -1.1166 -0.5637 -0.5637 1.1445 1.1445 2.0568 2.0568 2.3314 2.3314 2.7254 2.7254 2.7799 2.7799 3.0840 3.0840 3.6739 3.6739 4.0140 4.0140 4.2443 4.2443 5.1711 5.1711 5.2072 5.2072 5.6347 5.6347 7.3122 7.3122 7.8082 7.8082 8.0478 8.0478 8.6169 8.6169 k = 0.3182-0.0000-0.0000 ( 4734 PWs) bands (ev): -7.7860 -7.7860 -7.4691 -7.4691 -6.5759 -6.5759 -6.2720 -6.2720 -2.7251 -2.7251 -2.1891 -2.1891 -1.2277 -1.2277 -0.6517 -0.6517 1.1965 1.1965 2.0731 2.0731 2.3467 2.3467 2.7522 2.7522 2.8333 2.8333 3.0997 3.0997 3.6657 3.6657 4.0266 4.0266 4.2563 4.2563 5.1168 5.1168 5.1942 5.1942 5.5933 5.5933 7.2902 7.2902 7.8392 7.8392 7.9892 7.9892 8.5275 8.5275 k = 0.3295-0.0000-0.0000 ( 4734 PWs) bands (ev): -7.7328 -7.7328 -7.4222 -7.4222 -6.5633 -6.5633 -6.2869 -6.2869 -2.7542 -2.7542 -2.2099 -2.2099 -1.3372 -1.3372 -0.7402 -0.7402 1.2500 1.2500 2.0908 2.0908 2.3650 2.3650 2.7777 2.7777 2.8884 2.8884 3.1135 3.1135 3.6564 3.6564 4.0378 4.0378 4.2693 4.2693 5.0646 5.0646 5.1799 5.1799 5.5450 5.5450 7.2783 7.2783 7.8660 7.8660 7.9367 7.9367 8.4381 8.4381 k = 0.3409-0.0000-0.0000 ( 4742 PWs) bands (ev): -7.6783 -7.6783 -7.3747 -7.3747 -6.5530 -6.5530 -6.3049 -6.3049 -2.7801 -2.7801 -2.2261 -2.2261 -1.4448 -1.4448 -0.8290 -0.8290 1.3048 1.3048 2.1093 2.1093 2.3862 2.3862 2.8016 2.8016 2.9449 2.9449 3.1252 3.1252 3.6454 3.6454 4.0474 4.0474 4.2836 4.2836 5.0149 5.0149 5.1643 5.1643 5.4913 5.4913 7.2754 7.2754 7.8689 7.8689 7.9091 7.9091 8.3502 8.3502 k = 0.3523-0.0000-0.0000 ( 4742 PWs) bands (ev): -7.6228 -7.6228 -7.3267 -7.3267 -6.5453 -6.5453 -6.3260 -6.3260 -2.8022 -2.8022 -2.2376 -2.2376 -1.5502 -1.5502 -0.9176 -0.9176 1.3608 1.3608 2.1280 2.1280 2.4100 2.4100 2.8237 2.8237 3.0027 3.0027 3.1348 3.1348 3.6324 3.6324 4.0550 4.0550 4.2993 4.2993 4.9681 4.9681 5.1474 5.1474 5.4337 5.4337 7.2804 7.2804 7.8301 7.8301 7.9229 7.9229 8.2645 8.2645 k = 0.3636-0.0000-0.0000 ( 4748 PWs) bands (ev): -7.5664 -7.5664 -7.2783 -7.2783 -6.5403 -6.5403 -6.3503 -6.3503 -2.8202 -2.8202 -2.2440 -2.2440 -1.6531 -1.6531 -1.0057 -1.0057 1.4177 1.4177 2.1464 2.1464 2.4363 2.4363 2.8435 2.8435 3.0616 3.0616 3.1427 3.1427 3.6169 3.6169 4.0603 4.0603 4.3165 4.3165 4.9244 4.9244 5.1295 5.1295 5.3737 5.3737 7.2918 7.2918 7.7890 7.7890 7.9372 7.9372 8.1821 8.1821 k = 0.3750-0.0000-0.0000 ( 4740 PWs) bands (ev): -7.5091 -7.5091 -7.2297 -7.2297 -6.5383 -6.5383 -6.3778 -6.3778 -2.8335 -2.8335 -2.2453 -2.2453 -1.7534 -1.7534 -1.0929 -1.0929 1.4753 1.4753 2.1636 2.1636 2.4648 2.4648 2.8607 2.8607 3.1205 3.1205 3.1498 3.1498 3.5988 3.5988 4.0627 4.0627 4.3353 4.3353 4.8839 4.8839 5.1107 5.1107 5.3130 5.3130 7.3084 7.3084 7.7511 7.7511 7.9452 7.9452 8.1035 8.1035 k = 0.3864-0.0000-0.0000 ( 4736 PWs) bands (ev): -7.4511 -7.4511 -7.1810 -7.1810 -6.5394 -6.5394 -6.4086 -6.4086 -2.8420 -2.8420 -2.2412 -2.2412 -1.8508 -1.8508 -1.1789 -1.1789 1.5335 1.5335 2.1790 2.1790 2.4951 2.4951 2.8750 2.8750 3.1513 3.1513 3.1847 3.1847 3.5781 3.5781 4.0619 4.0619 4.3555 4.3555 4.8467 4.8467 5.0912 5.0912 5.2531 5.2531 7.3291 7.3291 7.7168 7.7168 7.9448 7.9448 8.0298 8.0298 k = 0.3977-0.0000-0.0000 ( 4724 PWs) bands (ev): -7.3925 -7.3925 -7.1325 -7.1325 -6.5440 -6.5440 -6.4425 -6.4425 -2.8451 -2.8451 -2.2317 -2.2317 -1.9451 -1.9451 -1.2635 -1.2635 1.5920 1.5920 2.1916 2.1916 2.5269 2.5269 2.8860 2.8860 3.1565 3.1565 3.2453 3.2453 3.5547 3.5547 4.0573 4.0573 4.3770 4.3770 4.8126 4.8126 5.0713 5.0713 5.1955 5.1955 7.3528 7.3528 7.6863 7.6863 7.9324 7.9324 7.9641 7.9641 k = 0.4091-0.0000-0.0000 ( 4732 PWs) bands (ev): -7.3334 -7.3334 -7.0844 -7.0844 -6.5520 -6.5520 -6.4795 -6.4795 -2.8428 -2.8428 -2.2168 -2.2168 -2.0359 -2.0359 -1.3463 -1.3463 1.6503 1.6503 2.2004 2.2004 2.5599 2.5599 2.8935 2.8935 3.1612 3.1612 3.3071 3.3071 3.5290 3.5290 4.0483 4.0483 4.3996 4.3996 4.7815 4.7815 5.0512 5.0512 5.1417 5.1417 7.3787 7.3787 7.6596 7.6596 7.8889 7.8889 7.9261 7.9261 k = 0.4205-0.0000-0.0000 ( 4734 PWs) bands (ev): -7.2741 -7.2741 -7.0368 -7.0368 -6.5635 -6.5635 -6.5193 -6.5193 -2.8347 -2.8347 -2.1965 -2.1965 -2.1232 -2.1232 -1.4270 -1.4270 1.7084 1.7084 2.2048 2.2048 2.5936 2.5936 2.8973 2.8973 3.1668 3.1668 3.3691 3.3691 3.5012 3.5012 4.0344 4.0344 4.4231 4.4231 4.7530 4.7530 5.0313 5.0313 5.0928 5.0928 7.4063 7.4063 7.6366 7.6366 7.8322 7.8322 7.8992 7.8992 k = 0.4318-0.0000-0.0000 ( 4744 PWs) bands (ev): -7.2146 -7.2146 -6.9900 -6.9900 -6.5787 -6.5787 -6.5620 -6.5620 -2.8207 -2.8207 -2.2065 -2.2065 -2.1707 -2.1707 -1.5054 -1.5054 1.7656 1.7656 2.2037 2.2037 2.6277 2.6277 2.8971 2.8971 3.1743 3.1743 3.4302 3.4302 3.4725 3.4725 4.0152 4.0152 4.4471 4.4471 4.7266 4.7266 5.0120 5.0120 5.0499 5.0499 7.4352 7.4352 7.6175 7.6175 7.7797 7.7797 7.8678 7.8678 k = 0.4432-0.0000-0.0000 ( 4738 PWs) bands (ev): -7.1552 -7.1552 -6.9442 -6.9442 -6.6075 -6.6075 -6.5971 -6.5971 -2.8007 -2.8007 -2.2857 -2.2857 -2.1398 -2.1398 -1.5812 -1.5812 1.8218 1.8218 2.1966 2.1966 2.6616 2.6616 2.8929 2.8929 3.1844 3.1844 3.4387 3.4387 3.4949 3.4949 3.9903 3.9903 4.4714 4.4714 4.7020 4.7020 4.9938 4.9938 5.0138 5.0138 7.4651 7.4651 7.6024 7.6024 7.7329 7.7329 7.8323 7.8323 k = 0.4545-0.0000-0.0000 ( 4732 PWs) bands (ev): -7.0960 -7.0960 -6.8997 -6.8997 -6.6550 -6.6550 -6.6192 -6.6192 -2.7747 -2.7747 -2.3606 -2.3606 -2.1037 -2.1037 -1.6541 -1.6541 1.8763 1.8763 2.1832 2.1832 2.6950 2.6950 2.8845 2.8845 3.1976 3.1976 3.4076 3.4076 3.5554 3.5554 3.9596 3.9596 4.4957 4.4957 4.6787 4.6787 4.9771 4.9771 4.9851 4.9851 7.4959 7.4959 7.5919 7.5919 7.6923 7.6923 7.7943 7.7943 k = 0.4659-0.0000-0.0000 ( 4738 PWs) bands (ev): -7.0372 -7.0372 -6.8567 -6.8567 -6.7049 -6.7049 -6.6447 -6.6447 -2.7427 -2.7427 -2.4308 -2.4308 -2.0627 -2.0627 -1.7238 -1.7238 1.9287 1.9287 2.1632 2.1632 2.7272 2.7272 2.8722 2.8722 3.2144 3.2144 3.3757 3.3757 3.6155 3.6155 3.9232 3.9232 4.5198 4.5198 4.6561 4.6561 4.9620 4.9620 4.9644 4.9644 7.5272 7.5272 7.5865 7.5865 7.6580 7.6580 7.7549 7.7549 k = 0.4773-0.0000-0.0000 ( 4738 PWs) bands (ev): -6.9790 -6.9790 -6.8154 -6.8154 -6.7567 -6.7567 -6.6733 -6.6733 -2.7047 -2.7047 -2.4962 -2.4962 -2.0169 -2.0169 -1.7902 -1.7902 1.9784 1.9784 2.1369 2.1369 2.7580 2.7580 2.8559 2.8559 3.2347 3.2347 3.3442 3.3442 3.6741 3.6741 3.8815 3.8815 4.5435 4.5435 4.6340 4.6340 4.9489 4.9489 4.9517 4.9517 7.5574 7.5574 7.5886 7.5886 7.6300 7.6300 7.7154 7.7154 k = 0.4886-0.0000-0.0000 ( 4748 PWs) bands (ev): -6.9216 -6.9216 -6.8103 -6.8103 -6.7762 -6.7762 -6.7049 -6.7049 -2.6609 -2.6609 -2.5565 -2.5565 -1.9665 -1.9665 -1.8529 -1.8529 2.0248 2.0248 2.1047 2.1047 2.7867 2.7867 2.8361 2.8361 3.2584 3.2584 3.3137 3.3137 3.7307 3.7307 3.8351 3.8351 4.5667 4.5667 4.6118 4.6118 4.9414 4.9414 4.9435 4.9435 7.5782 7.5782 7.6055 7.6055 7.6094 7.6094 7.6767 7.6767 k = 0.5000-0.0000-0.0000 ( 4746 PWs) bands (ev): -6.8653 -6.8653 -6.8653 -6.8653 -6.7393 -6.7393 -6.7393 -6.7393 -2.6115 -2.6115 -2.6115 -2.6115 -1.9118 -1.9118 -1.9118 -1.9118 2.0671 2.0671 2.0671 2.0671 2.8128 2.8128 2.8128 2.8128 3.2848 3.2848 3.2848 3.2848 3.7846 3.7846 3.7846 3.7846 4.5895 4.5895 4.5895 4.5895 4.9399 4.9399 4.9399 4.9399 7.5915 7.5915 7.5915 7.5915 7.6398 7.6398 7.6398 7.6398 k = 0.5000-0.0000-0.0000 ( 4746 PWs) bands (ev): -6.8653 -6.8653 -6.8653 -6.8653 -6.7393 -6.7393 -6.7393 -6.7393 -2.6115 -2.6115 -2.6115 -2.6115 -1.9118 -1.9118 -1.9118 -1.9118 2.0671 2.0671 2.0671 2.0671 2.8128 2.8128 2.8128 2.8128 3.2848 3.2848 3.2848 3.2848 3.7846 3.7846 3.7846 3.7846 4.5895 4.5895 4.5895 4.5895 4.9399 4.9399 4.9399 4.9399 7.5915 7.5915 7.5915 7.5915 7.6398 7.6398 7.6398 7.6398 k = 0.5000 0.0115-0.0000 ( 4738 PWs) bands (ev): -6.8649 -6.8649 -6.8649 -6.8649 -6.7390 -6.7390 -6.7390 -6.7390 -2.6107 -2.6107 -2.6106 -2.6106 -1.9116 -1.9116 -1.9116 -1.9116 2.0655 2.0655 2.0656 2.0656 2.8069 2.8069 2.8098 2.8098 3.2740 3.2740 3.2747 3.2747 3.7879 3.7879 3.7935 3.7935 4.5784 4.5784 4.5846 4.5846 4.9450 4.9450 4.9482 4.9482 7.5643 7.5643 7.5710 7.5710 7.6639 7.6639 7.6663 7.6663 k = 0.5000 0.0229-0.0000 ( 4742 PWs) bands (ev): -6.8636 -6.8636 -6.8636 -6.8636 -6.7380 -6.7380 -6.7380 -6.7380 -2.6083 -2.6083 -2.6082 -2.6082 -1.9111 -1.9111 -1.9110 -1.9110 2.0607 2.0607 2.0609 2.0609 2.7918 2.7918 2.7978 2.7978 3.2443 3.2443 3.2464 3.2464 3.8012 3.8012 3.8116 3.8116 4.5541 4.5541 4.5649 4.5649 4.9625 4.9625 4.9675 4.9675 7.5262 7.5262 7.5358 7.5358 7.7052 7.7052 7.7063 7.7063 k = 0.5000 0.0344-0.0000 ( 4742 PWs) bands (ev): -6.8615 -6.8615 -6.8615 -6.8615 -6.7363 -6.7363 -6.7363 -6.7363 -2.6043 -2.6043 -2.6042 -2.6042 -1.9102 -1.9102 -1.9100 -1.9100 2.0525 2.0525 2.0529 2.0529 2.7677 2.7677 2.7769 2.7769 3.2014 3.2014 3.2058 3.2058 3.8188 3.8188 3.8328 3.8328 4.5210 4.5210 4.5342 4.5342 4.9892 4.9892 4.9941 4.9941 7.4880 7.4880 7.5007 7.5007 7.7481 7.7481 7.7485 7.7485 k = 0.5000 0.0458-0.0000 ( 4738 PWs) bands (ev): -6.8586 -6.8586 -6.8585 -6.8585 -6.7340 -6.7340 -6.7340 -6.7340 -2.5987 -2.5987 -2.5985 -2.5985 -1.9089 -1.9089 -1.9088 -1.9088 2.0408 2.0408 2.0413 2.0413 2.7347 2.7347 2.7472 2.7472 3.1511 3.1511 3.1585 3.1585 3.8343 3.8343 3.8504 3.8504 4.4834 4.4834 4.4968 4.4968 5.0217 5.0217 5.0251 5.0251 7.4509 7.4509 7.4670 7.4670 7.7910 7.7910 7.7925 7.7925 k = 0.5000 0.0573-0.0000 ( 4732 PWs) bands (ev): -6.8548 -6.8548 -6.8547 -6.8547 -6.7311 -6.7311 -6.7311 -6.7311 -2.5916 -2.5916 -2.5913 -2.5913 -1.9073 -1.9073 -1.9071 -1.9071 2.0252 2.0252 2.0260 2.0260 2.6932 2.6932 2.7092 2.7092 3.0980 3.0980 3.1089 3.1089 3.8428 3.8428 3.8595 3.8595 4.4447 4.4447 4.4563 4.4563 5.0575 5.0575 5.0583 5.0583 7.4152 7.4152 7.4349 7.4349 7.8367 7.8367 7.8387 7.8387 k = 0.5000 0.0688-0.0000 ( 4728 PWs) bands (ev): -6.8503 -6.8503 -6.8501 -6.8501 -6.7275 -6.7275 -6.7275 -6.7275 -2.5829 -2.5829 -2.5826 -2.5826 -1.9055 -1.9055 -1.9052 -1.9052 2.0054 2.0054 2.0065 2.0065 2.6443 2.6443 2.6635 2.6635 3.0451 3.0451 3.0593 3.0593 3.8408 3.8408 3.8564 3.8564 4.4073 4.4073 4.4152 4.4152 5.0920 5.0920 5.0945 5.0945 7.3820 7.3820 7.4053 7.4053 7.8877 7.8877 7.8896 7.8896 k = 0.5000 0.0802-0.0000 ( 4728 PWs) bands (ev): -6.8450 -6.8450 -6.8448 -6.8448 -6.7234 -6.7234 -6.7234 -6.7234 -2.5727 -2.5727 -2.5724 -2.5724 -1.9034 -1.9034 -1.9031 -1.9031 1.9810 1.9810 1.9824 1.9824 2.5895 2.5895 2.6116 2.6116 2.9940 2.9940 3.0112 3.0112 3.8267 3.8267 3.8397 3.8397 4.3723 4.3723 4.3750 4.3750 5.1251 5.1251 5.1312 5.1312 7.3529 7.3529 7.3798 7.3798 7.9464 7.9464 7.9477 7.9477 k = 0.5000 0.0917-0.0000 ( 4720 PWs) bands (ev): -6.8389 -6.8389 -6.8387 -6.8387 -6.7187 -6.7187 -6.7187 -6.7187 -2.5610 -2.5610 -2.5607 -2.5607 -1.9010 -1.9010 -1.9007 -1.9007 1.9515 1.9515 1.9534 1.9534 2.5307 2.5307 2.5551 2.5551 2.9451 2.9451 2.9648 2.9648 3.8005 3.8005 3.8097 3.8097 4.3362 4.3362 4.3399 4.3399 5.1561 5.1561 5.1660 5.1660 7.3300 7.3300 7.3604 7.3604 8.0143 8.0143 8.0147 8.0147 k = 0.5000 0.1031-0.0000 ( 4728 PWs) bands (ev): -6.8321 -6.8321 -6.8319 -6.8319 -6.7135 -6.7135 -6.7135 -6.7135 -2.5480 -2.5480 -2.5476 -2.5476 -1.8985 -1.8985 -1.8982 -1.8982 1.9168 1.9168 1.9192 1.9192 2.4699 2.4699 2.4961 2.4961 2.8983 2.8983 2.9199 2.9199 3.7634 3.7634 3.7686 3.7686 4.2985 4.2985 4.3087 4.3087 5.1836 5.1836 5.1973 5.1973 7.3156 7.3156 7.3491 7.3491 8.0913 8.0913 8.0919 8.0919 k = 0.5000 0.1146-0.0000 ( 4736 PWs) bands (ev): -6.8246 -6.8246 -6.8244 -6.8244 -6.7078 -6.7078 -6.7078 -6.7078 -2.5335 -2.5335 -2.5331 -2.5331 -1.8959 -1.8959 -1.8955 -1.8955 1.8766 1.8766 1.8794 1.8794 2.4087 2.4087 2.4361 2.4361 2.8530 2.8530 2.8759 2.8759 3.7178 3.7178 3.7189 3.7189 4.2613 4.2613 4.2776 4.2776 5.2064 5.2064 5.2236 5.2236 7.3114 7.3114 7.3479 7.3479 8.1773 8.1773 8.1790 8.1790 k = 0.5000 0.1261-0.0000 ( 4734 PWs) bands (ev): -6.8165 -6.8165 -6.8162 -6.8162 -6.7016 -6.7016 -6.7016 -6.7016 -2.5178 -2.5178 -2.5173 -2.5173 -1.8933 -1.8933 -1.8928 -1.8928 1.8312 1.8312 1.8344 1.8344 2.3486 2.3486 2.3767 2.3767 2.8084 2.8084 2.8322 2.8322 3.6639 3.6639 3.6661 3.6661 4.2235 4.2235 4.2452 4.2452 5.2233 5.2233 5.2437 5.2437 7.3190 7.3190 7.3581 7.3581 8.2721 8.2721 8.2749 8.2749 k = 0.5000 0.1375-0.0000 ( 4736 PWs) bands (ev): -6.8078 -6.8078 -6.8075 -6.8075 -6.6951 -6.6951 -6.6950 -6.6950 -2.5008 -2.5008 -2.5003 -2.5003 -1.8906 -1.8906 -1.8901 -1.8901 1.7809 1.7809 1.7843 1.7843 2.2905 2.2905 2.3189 2.3189 2.7638 2.7638 2.7879 2.7879 3.6059 3.6059 3.6109 3.6109 4.1847 4.1847 4.2108 4.2108 5.2335 5.2335 5.2566 5.2566 7.3391 7.3391 7.3804 7.3804 8.3749 8.3749 8.3788 8.3788 k = 0.5000 0.1490-0.0000 ( 4740 PWs) bands (ev): -6.7986 -6.7986 -6.7983 -6.7983 -6.6881 -6.6881 -6.6881 -6.6881 -2.4826 -2.4826 -2.4820 -2.4820 -1.8880 -1.8880 -1.8875 -1.8875 1.7263 1.7263 1.7298 1.7298 2.2349 2.2349 2.2632 2.2632 2.7185 2.7185 2.7424 2.7424 3.5473 3.5473 3.5543 3.5543 4.1446 4.1446 4.1743 4.1743 5.2368 5.2368 5.2620 5.2620 7.3717 7.3717 7.4151 7.4151 8.4845 8.4845 8.4896 8.4896 k = 0.5000 0.1605-0.0000 ( 4748 PWs) bands (ev): -6.7889 -6.7889 -6.7885 -6.7885 -6.6809 -6.6809 -6.6808 -6.6808 -2.4634 -2.4634 -2.4628 -2.4628 -1.8856 -1.8856 -1.8850 -1.8850 1.6684 1.6684 1.6718 1.6718 2.1821 2.1821 2.2099 2.2099 2.6717 2.6717 2.6950 2.6950 3.4898 3.4898 3.4981 3.4981 4.1034 4.1034 4.1358 4.1358 5.2332 5.2332 5.2601 5.2601 7.4165 7.4165 7.4615 7.4615 8.5997 8.5997 8.6062 8.6062 k = 0.5000 0.1719-0.0000 ( 4752 PWs) bands (ev): -6.7787 -6.7787 -6.7783 -6.7783 -6.6734 -6.6734 -6.6733 -6.6733 -2.4431 -2.4431 -2.4425 -2.4425 -1.8833 -1.8833 -1.8827 -1.8827 1.6081 1.6081 1.6113 1.6113 2.1319 2.1319 2.1589 2.1589 2.6230 2.6230 2.6452 2.6452 3.4345 3.4345 3.4434 3.4434 4.0613 4.0613 4.0958 4.0958 5.2232 5.2232 5.2513 5.2513 7.4723 7.4723 7.5186 7.5186 8.7193 8.7193 8.7274 8.7274 k = 0.5000 0.1834-0.0000 ( 4752 PWs) bands (ev): -6.7681 -6.7681 -6.7678 -6.7678 -6.6656 -6.6656 -6.6656 -6.6656 -2.4220 -2.4220 -2.4213 -2.4213 -1.8813 -1.8813 -1.8806 -1.8806 1.5464 1.5464 1.5494 1.5494 2.0842 2.0842 2.1101 2.1101 2.5720 2.5720 2.5928 2.5928 3.3821 3.3821 3.3910 3.3910 4.0191 4.0191 4.0550 4.0550 5.2075 5.2075 5.2363 5.2363 7.5378 7.5378 7.5851 7.5851 8.8419 8.8419 8.8519 8.8519 k = 0.5000 0.1948-0.0000 ( 4750 PWs) bands (ev): -6.7573 -6.7573 -6.7569 -6.7569 -6.6578 -6.6578 -6.6577 -6.6577 -2.4001 -2.4001 -2.3994 -2.3994 -1.8795 -1.8795 -1.8788 -1.8788 1.4843 1.4843 1.4870 1.4870 2.0387 2.0387 2.0633 2.0633 2.5189 2.5189 2.5378 2.5378 3.3327 3.3327 3.3410 3.3410 3.9778 3.9778 4.0144 4.0144 5.1870 5.1870 5.2162 5.2162 7.6116 7.6116 7.6597 7.6597 8.9659 8.9659 8.9782 8.9782 k = 0.5000 0.2063-0.0000 ( 4750 PWs) bands (ev): -6.7462 -6.7462 -6.7458 -6.7458 -6.6498 -6.6498 -6.6497 -6.6497 -2.3775 -2.3775 -2.3768 -2.3768 -1.8781 -1.8781 -1.8773 -1.8773 1.4227 1.4227 1.4250 1.4250 1.9950 1.9950 2.0182 2.0182 2.4642 2.4642 2.4808 2.4808 3.2860 3.2860 3.2931 3.2931 3.9381 3.9381 3.9749 3.9749 5.1625 5.1625 5.1917 5.1917 7.6920 7.6920 7.7407 7.7407 9.0894 9.0894 9.1048 9.1048 k = 0.5000 0.2178-0.0000 ( 4758 PWs) bands (ev): -6.7349 -6.7349 -6.7345 -6.7345 -6.6418 -6.6418 -6.6418 -6.6418 -2.3544 -2.3544 -2.3536 -2.3536 -1.8771 -1.8771 -1.8763 -1.8763 1.3622 1.3622 1.3643 1.3643 1.9528 1.9528 1.9744 1.9744 2.4084 2.4084 2.4226 2.4226 3.2411 3.2411 3.2467 3.2467 3.9013 3.9013 3.9378 3.9378 5.1348 5.1348 5.1639 5.1639 7.7775 7.7775 7.8267 7.8267 9.2102 9.2102 9.2296 9.2296 k = 0.5000 0.2292-0.0000 ( 4766 PWs) bands (ev): -6.7235 -6.7235 -6.7231 -6.7231 -6.6339 -6.6339 -6.6338 -6.6338 -2.3309 -2.3309 -2.3301 -2.3301 -1.8765 -1.8765 -1.8756 -1.8756 1.3036 1.3036 1.3054 1.3054 1.9118 1.9118 1.9315 1.9315 2.3529 2.3529 2.3644 2.3644 3.1970 3.1970 3.2008 3.2008 3.8684 3.8684 3.9041 3.9041 5.1047 5.1047 5.1333 5.1333 7.8669 7.8669 7.9164 7.9164 9.3253 9.3253 9.3500 9.3500 k = 0.5000 0.2407-0.0000 ( 4758 PWs) bands (ev): -6.7121 -6.7121 -6.7117 -6.7117 -6.6261 -6.6261 -6.6260 -6.6260 -2.3072 -2.3072 -2.3064 -2.3064 -1.8764 -1.8764 -1.8755 -1.8755 1.2474 1.2474 1.2489 1.2489 1.8712 1.8712 1.8889 1.8889 2.2990 2.2990 2.3075 2.3075 3.1528 3.1528 3.1546 3.1546 3.8403 3.8403 3.8748 3.8748 5.0727 5.0727 5.1007 5.1007 7.9589 7.9589 8.0085 8.0085 9.4311 9.4311 9.4625 9.4625 k = 0.5000 0.2521-0.0000 ( 4758 PWs) bands (ev): -6.7007 -6.7007 -6.7003 -6.7003 -6.6185 -6.6185 -6.6183 -6.6183 -2.2834 -2.2834 -2.2825 -2.2825 -1.8767 -1.8767 -1.8757 -1.8757 1.1940 1.1940 1.1954 1.1954 1.8306 1.8306 1.8460 1.8460 2.2481 2.2481 2.2534 2.2534 3.1071 3.1071 3.1075 3.1075 3.8176 3.8176 3.8506 3.8506 5.0394 5.0394 5.0667 5.0667 8.0524 8.0524 8.1021 8.1021 9.5229 9.5229 9.5623 9.5623 k = 0.5000 0.2636-0.0000 ( 4758 PWs) bands (ev): -6.6895 -6.6895 -6.6890 -6.6890 -6.6110 -6.6110 -6.6109 -6.6109 -2.2596 -2.2596 -2.2588 -2.2588 -1.8774 -1.8774 -1.8765 -1.8765 1.1439 1.1439 1.1451 1.1451 1.7892 1.7892 1.8022 1.8022 2.2017 2.2017 2.2039 2.2039 3.0580 3.0580 3.0606 3.0606 3.8007 3.8007 3.8319 3.8319 5.0052 5.0052 5.0317 5.0317 8.1466 8.1466 8.1962 8.1962 9.5961 9.5961 9.6434 9.6434 k = 0.5000 0.2751-0.0000 ( 4762 PWs) bands (ev): -6.6784 -6.6784 -6.6780 -6.6780 -6.6039 -6.6039 -6.6038 -6.6038 -2.2362 -2.2362 -2.2353 -2.2353 -1.8787 -1.8787 -1.8777 -1.8777 1.0974 1.0974 1.0984 1.0984 1.7465 1.7465 1.7570 1.7570 2.1602 2.1602 2.1612 2.1612 3.0070 3.0070 3.0117 3.0117 3.7894 3.7894 3.8188 3.8188 4.9705 4.9705 4.9961 4.9961 8.2405 8.2405 8.2899 8.2899 9.6471 9.6471 9.7004 9.7004 k = 0.5000 0.2865-0.0000 ( 4758 PWs) bands (ev): -6.6677 -6.6677 -6.6672 -6.6672 -6.5972 -6.5972 -6.5971 -6.5971 -2.2131 -2.2131 -2.2122 -2.2122 -1.8804 -1.8804 -1.8794 -1.8794 1.0547 1.0547 1.0555 1.0555 1.7021 1.7021 1.7102 1.7102 2.1234 2.1234 2.1275 2.1275 2.9543 2.9543 2.9609 2.9609 3.7837 3.7837 3.8110 3.8110 4.9358 4.9358 4.9604 4.9604 8.3335 8.3335 8.3827 8.3827 9.6760 9.6760 9.7318 9.7318 k = 0.5000 0.2980-0.0000 ( 4750 PWs) bands (ev): -6.6573 -6.6573 -6.6568 -6.6568 -6.5909 -6.5909 -6.5907 -6.5907 -2.1906 -2.1906 -2.1897 -2.1897 -1.8825 -1.8825 -1.8815 -1.8815 1.0160 1.0160 1.0167 1.0167 1.6563 1.6563 1.6621 1.6621 2.0943 2.0943 2.1009 2.1009 2.9003 2.9003 2.9086 2.9086 3.7828 3.7828 3.8082 3.8082 4.9014 4.9014 4.9248 4.9248 8.4251 8.4251 8.4739 8.4739 9.6857 9.6857 9.7408 9.7408 k = 0.5000 0.3094-0.0000 ( 4746 PWs) bands (ev): -6.6473 -6.6473 -6.6469 -6.6469 -6.5851 -6.5851 -6.5849 -6.5849 -2.1690 -2.1690 -2.1680 -2.1680 -1.8850 -1.8850 -1.8840 -1.8840 0.9815 0.9815 0.9821 0.9821 1.6093 1.6093 1.6134 1.6134 2.0727 2.0727 2.0815 2.0815 2.8456 2.8456 2.8553 2.8553 3.7861 3.7861 3.8096 3.8096 4.8676 4.8676 4.8898 4.8898 8.5148 8.5148 8.5631 8.5631 9.6806 9.6806 9.7333 9.7333 k = 0.5000 0.3209-0.0000 ( 4756 PWs) bands (ev): -6.6379 -6.6379 -6.6375 -6.6375 -6.5798 -6.5798 -6.5796 -6.5796 -2.1483 -2.1483 -2.1474 -2.1474 -1.8879 -1.8879 -1.8869 -1.8869 0.9511 0.9511 0.9516 0.9516 1.5623 1.5623 1.5649 1.5649 2.0585 2.0585 2.0690 2.0690 2.7908 2.7908 2.8016 2.8016 3.7928 3.7928 3.8144 3.8144 4.8348 4.8348 4.8557 4.8557 8.6022 8.6022 8.6498 8.6498 9.6647 9.6647 9.7146 9.7146 k = 0.5000 0.3324-0.0000 ( 4764 PWs) bands (ev): -6.6291 -6.6291 -6.6287 -6.6287 -6.5750 -6.5750 -6.5748 -6.5748 -2.1288 -2.1288 -2.1279 -2.1279 -1.8910 -1.8910 -1.8900 -1.8900 0.9249 0.9249 0.9253 0.9253 1.5161 1.5161 1.5177 1.5177 2.0509 2.0509 2.0626 2.0626 2.7367 2.7367 2.7483 2.7483 3.8023 3.8023 3.8219 3.8219 4.8035 4.8035 4.8229 4.8229 8.6869 8.6869 8.7338 8.7338 9.6411 9.6411 9.6882 9.6882 k = 0.5000 0.3438-0.0000 ( 4768 PWs) bands (ev): -6.6210 -6.6210 -6.6206 -6.6206 -6.5709 -6.5709 -6.5707 -6.5707 -2.1107 -2.1107 -2.1098 -2.1098 -1.8943 -1.8943 -1.8934 -1.8934 0.9029 0.9029 0.9032 0.9032 1.4720 1.4720 1.4729 1.4729 2.0493 2.0493 2.0616 2.0616 2.6840 2.6840 2.6961 2.6961 3.8135 3.8135 3.8312 3.8312 4.7742 4.7742 4.7918 4.7918 8.7686 8.7686 8.8146 8.8146 9.6117 9.6117 9.6564 9.6564 k = 0.5000 0.3553-0.0000 ( 4772 PWs) bands (ev): -6.6136 -6.6136 -6.6133 -6.6133 -6.5674 -6.5674 -6.5672 -6.5672 -2.0941 -2.0941 -2.0933 -2.0933 -1.8978 -1.8978 -1.8969 -1.8969 0.8847 0.8847 0.8850 0.8850 1.4309 1.4309 1.4313 1.4313 2.0528 2.0528 2.0653 2.0653 2.6338 2.6338 2.6460 2.6460 3.8258 3.8258 3.8414 3.8414 4.7472 4.7472 4.7630 4.7630 8.8471 8.8471 8.8919 8.8919 9.5780 9.5780 9.6206 9.6206 k = 0.5000 0.3667-0.0000 ( 4768 PWs) bands (ev): -6.6072 -6.6072 -6.6068 -6.6068 -6.5645 -6.5645 -6.5643 -6.5643 -2.0794 -2.0794 -2.0786 -2.0786 -1.9013 -1.9013 -1.9005 -1.9005 0.8703 0.8703 0.8705 0.8705 1.3940 1.3940 1.3941 1.3941 2.0603 2.0603 2.0725 2.0725 2.5871 2.5871 2.5989 2.5989 3.8383 3.8383 3.8517 3.8517 4.7232 4.7232 4.7370 4.7370 8.9219 8.9219 8.9654 8.9654 9.5409 9.5409 9.5817 9.5817 k = 0.5000 0.3782-0.0000 ( 4764 PWs) bands (ev): -6.6017 -6.6017 -6.6014 -6.6014 -6.5622 -6.5622 -6.5620 -6.5620 -2.0667 -2.0667 -2.0660 -2.0660 -1.9045 -1.9045 -1.9038 -1.9038 0.8593 0.8593 0.8594 0.8594 1.3622 1.3622 1.3622 1.3622 2.0708 2.0708 2.0821 2.0821 2.5450 2.5450 2.5560 2.5560 3.8502 3.8502 3.8613 3.8613 4.7028 4.7028 4.7142 4.7142 8.9927 8.9927 9.0343 9.0343 9.5014 9.5014 9.5405 9.5405 k = 0.5000 0.3897-0.0000 ( 4756 PWs) bands (ev): -6.5972 -6.5972 -6.5970 -6.5970 -6.5605 -6.5605 -6.5603 -6.5603 -2.0563 -2.0563 -2.0558 -2.0558 -1.9075 -1.9075 -1.9069 -1.9069 0.8513 0.8513 0.8514 0.8514 1.3363 1.3363 1.3364 1.3364 2.0828 2.0828 2.0925 2.0925 2.5093 2.5093 2.5188 2.5188 3.8608 3.8608 3.8694 3.8694 4.6865 4.6865 4.6954 4.6954 9.0586 9.0586 9.0974 9.0974 9.4611 9.4611 9.4977 9.4977 k = 0.5000 0.4011-0.0000 ( 4752 PWs) bands (ev): -6.5939 -6.5939 -6.5938 -6.5938 -6.5593 -6.5593 -6.5592 -6.5592 -2.0486 -2.0486 -2.0482 -2.0482 -1.9098 -1.9098 -1.9094 -1.9094 0.8459 0.8459 0.8460 0.8460 1.3172 1.3172 1.3173 1.3173 2.0945 2.0945 2.1017 2.1017 2.4820 2.4820 2.4891 2.4891 3.8694 3.8694 3.8752 3.8752 4.6749 4.6749 4.6809 4.6809 9.1180 9.1180 9.1517 9.1517 9.4229 9.4229 9.4549 9.4549 k = 0.5000 0.4126-0.0000 ( 4756 PWs) bands (ev): -6.5919 -6.5919 -6.5918 -6.5918 -6.5586 -6.5586 -6.5585 -6.5585 -2.0437 -2.0437 -2.0435 -2.0435 -1.9113 -1.9113 -1.9110 -1.9110 0.8429 0.8429 0.8429 0.8429 1.3055 1.3055 1.3055 1.3055 2.1037 2.1037 2.1076 2.1076 2.4652 2.4652 2.4690 2.4690 3.8754 3.8754 3.8784 3.8784 4.6684 4.6684 4.6714 4.6714 9.1669 9.1669 9.1892 9.1892 9.3948 9.3948 9.4162 9.4162 k = 0.5000 0.4241-0.0000 ( 4764 PWs) bands (ev): -6.5912 -6.5912 -6.5912 -6.5912 -6.5584 -6.5584 -6.5584 -6.5584 -2.0420 -2.0420 -2.0420 -2.0420 -1.9117 -1.9117 -1.9117 -1.9117 0.8419 0.8419 0.8419 0.8419 1.3016 1.3016 1.3016 1.3016 2.1084 2.1084 2.1084 2.1084 2.4607 2.4607 2.4607 2.4607 3.8785 3.8785 3.8785 3.8785 4.6672 4.6672 4.6672 4.6672 9.1954 9.1954 9.1954 9.1954 9.3914 9.3914 9.3914 9.3914 k = 0.5000 0.4241-0.0000 ( 4764 PWs) bands (ev): -6.5912 -6.5912 -6.5912 -6.5912 -6.5584 -6.5584 -6.5584 -6.5584 -2.0420 -2.0420 -2.0420 -2.0420 -1.9117 -1.9117 -1.9117 -1.9117 0.8419 0.8419 0.8419 0.8419 1.3016 1.3016 1.3016 1.3016 2.1084 2.1084 2.1084 2.1084 2.4607 2.4607 2.4607 2.4607 3.8785 3.8785 3.8785 3.8785 4.6672 4.6672 4.6672 4.6672 9.1954 9.1954 9.1954 9.1954 9.3914 9.3914 9.3914 9.3914 k = 0.4886 0.4241-0.0000 ( 4764 PWs) bands (ev): -6.5959 -6.5959 -6.5935 -6.5935 -6.5586 -6.5586 -6.5562 -6.5562 -2.0456 -2.0456 -2.0439 -2.0439 -1.9071 -1.9071 -1.9059 -1.9059 0.8359 0.8359 0.8361 0.8361 1.3097 1.3097 1.3105 1.3105 2.0947 2.0947 2.1029 2.1029 2.4713 2.4713 2.4772 2.4772 3.8737 3.8737 3.8787 3.8787 4.6683 4.6683 4.6729 4.6729 9.1622 9.1622 9.1886 9.1886 9.3994 9.3994 9.4239 9.4239 k = 0.4773 0.4241-0.0000 ( 4756 PWs) bands (ev): -6.6060 -6.6060 -6.6023 -6.6023 -6.5576 -6.5576 -6.5538 -6.5538 -2.0533 -2.0533 -2.0504 -2.0504 -1.8930 -1.8930 -1.8909 -1.8909 0.8196 0.8196 0.8199 0.8199 1.3330 1.3330 1.3350 1.3350 2.0668 2.0668 2.0816 2.0816 2.5058 2.5058 2.5159 2.5159 3.8647 3.8647 3.8745 3.8745 4.6761 4.6761 4.6850 4.6850 9.1096 9.1096 9.1478 9.1478 9.4416 9.4416 9.4760 9.4760 k = 0.4659 0.4241-0.0000 ( 4752 PWs) bands (ev): -6.6198 -6.6198 -6.6156 -6.6156 -6.5573 -6.5573 -6.5529 -6.5529 -2.0631 -2.0631 -2.0594 -2.0594 -1.8717 -1.8717 -1.8693 -1.8693 0.7966 0.7966 0.7971 0.7971 1.3672 1.3672 1.3705 1.3705 2.0331 2.0331 2.0530 2.0530 2.5566 2.5566 2.5690 2.5690 3.8522 3.8522 3.8665 3.8665 4.6901 4.6901 4.7030 4.7030 9.0504 9.0504 9.0936 9.0936 9.4976 9.4976 9.5350 9.5350 k = 0.4545 0.4241-0.0000 ( 4760 PWs) bands (ev): -6.6365 -6.6365 -6.6321 -6.6321 -6.5587 -6.5587 -6.5540 -6.5540 -2.0734 -2.0734 -2.0691 -2.0691 -1.8454 -1.8454 -1.8427 -1.8427 0.7707 0.7707 0.7715 0.7715 1.4069 1.4069 1.4123 1.4123 2.0003 2.0003 2.0247 2.0247 2.6171 2.6171 2.6307 2.6307 3.8373 3.8373 3.8557 3.8557 4.7096 4.7096 4.7261 4.7261 8.9889 8.9889 9.0349 9.0349 9.5580 9.5580 9.5961 9.5961 k = 0.4432 0.4241-0.0000 ( 4752 PWs) bands (ev): -6.6556 -6.6556 -6.6512 -6.6512 -6.5623 -6.5623 -6.5574 -6.5574 -2.0833 -2.0833 -2.0786 -2.0786 -1.8153 -1.8153 -1.8126 -1.8126 0.7449 0.7449 0.7460 0.7460 1.4472 1.4472 1.4550 1.4550 1.9737 1.9737 2.0026 2.0026 2.6831 2.6831 2.6974 2.6974 3.8214 3.8214 3.8436 3.8436 4.7338 4.7338 4.7536 4.7536 8.9269 8.9269 8.9747 8.9747 9.6195 9.6195 9.6573 9.6573 k = 0.4318 0.4241-0.0000 ( 4748 PWs) bands (ev): -6.6770 -6.6770 -6.6726 -6.6726 -6.5681 -6.5681 -6.5632 -6.5632 -2.0926 -2.0926 -2.0876 -2.0876 -1.7823 -1.7823 -1.7796 -1.7796 0.7215 0.7215 0.7230 0.7230 1.4829 1.4829 1.4936 1.4936 1.9583 1.9583 1.9919 1.9919 2.7521 2.7521 2.7669 2.7669 3.8059 3.8059 3.8315 3.8315 4.7618 4.7618 4.7844 4.7844 8.8652 8.8652 8.9145 8.9145 9.6803 9.6803 9.7174 9.7174 k = 0.4205 0.4241-0.0000 ( 4756 PWs) bands (ev): -6.7004 -6.7004 -6.6960 -6.6960 -6.5762 -6.5762 -6.5713 -6.5713 -2.1014 -2.1014 -2.0961 -2.0961 -1.7471 -1.7471 -1.7446 -1.7446 0.7021 0.7021 0.7039 0.7039 1.5099 1.5099 1.5232 1.5232 1.9584 1.9584 1.9963 1.9963 2.8222 2.8222 2.8374 2.8374 3.7925 3.7925 3.8213 3.8213 4.7928 4.7928 4.8179 4.8179 8.8042 8.8042 8.8549 8.8549 9.7391 9.7391 9.7753 9.7753 k = 0.4091 0.4241-0.0000 ( 4760 PWs) bands (ev): -6.7255 -6.7255 -6.7212 -6.7212 -6.5866 -6.5866 -6.5817 -6.5817 -2.1097 -2.1097 -2.1042 -2.1042 -1.7103 -1.7103 -1.7079 -1.7079 0.6878 0.6878 0.6900 0.6900 1.5259 1.5259 1.5407 1.5407 1.9764 1.9764 2.0176 2.0176 2.8916 2.8916 2.9074 2.9074 3.7830 3.7830 3.8147 3.8147 4.8260 4.8260 4.8535 4.8535 8.7442 8.7442 8.7962 8.7962 9.7950 9.7950 9.8299 9.8299 k = 0.3977 0.4241-0.0000 ( 4744 PWs) bands (ev): -6.7523 -6.7523 -6.7480 -6.7480 -6.5990 -6.5990 -6.5941 -6.5941 -2.1178 -2.1178 -2.1121 -2.1121 -1.6724 -1.6724 -1.6701 -1.6701 0.6795 0.6795 0.6821 0.6821 1.5320 1.5320 1.5469 1.5469 2.0110 2.0110 2.0542 2.0542 2.9590 2.9590 2.9756 2.9756 3.7794 3.7794 3.8135 3.8135 4.8610 4.8610 4.8906 4.8906 8.6854 8.6854 8.7386 8.7386 9.8466 9.8466 9.8801 9.8801 k = 0.3864 0.4241-0.0000 ( 4754 PWs) bands (ev): -6.7804 -6.7804 -6.7762 -6.7762 -6.6134 -6.6134 -6.6086 -6.6086 -2.1260 -2.1260 -2.1202 -2.1202 -1.6339 -1.6339 -1.6318 -1.6318 0.6780 0.6780 0.6810 0.6810 1.5314 1.5314 1.5456 1.5456 2.0578 2.0578 2.1023 2.1023 3.0229 3.0229 3.0408 3.0408 3.7836 3.7836 3.8198 3.8198 4.8971 4.8971 4.9287 4.9287 8.6280 8.6280 8.6824 8.6824 9.8929 9.8929 9.9247 9.9247 k = 0.3750 0.4241-0.0000 ( 4742 PWs) bands (ev): -6.8096 -6.8096 -6.8056 -6.8056 -6.6297 -6.6297 -6.6249 -6.6249 -2.1346 -2.1346 -2.1286 -2.1286 -1.5954 -1.5954 -1.5934 -1.5934 0.6837 0.6837 0.6870 0.6870 1.5277 1.5277 1.5409 1.5409 2.1117 2.1117 2.1573 2.1573 3.0825 3.0825 3.1021 3.1021 3.7975 3.7975 3.8352 3.8352 4.9341 4.9341 4.9675 4.9675 8.5721 8.5721 8.6277 8.6277 9.9323 9.9323 9.9623 9.9623 k = 0.3636 0.4241-0.0000 ( 4750 PWs) bands (ev): -6.8399 -6.8399 -6.8360 -6.8360 -6.6476 -6.6476 -6.6429 -6.6429 -2.1438 -2.1438 -2.1378 -2.1378 -1.5574 -1.5574 -1.5554 -1.5554 0.6969 0.6969 0.7006 0.7006 1.5241 1.5241 1.5364 1.5364 2.1684 2.1684 2.2151 2.2151 3.1371 3.1371 3.1592 3.1592 3.8226 3.8226 3.8611 3.8611 4.9717 4.9717 5.0069 5.0069 8.5178 8.5178 8.5747 8.5747 9.9636 9.9636 9.9913 9.9913 k = 0.3523 0.4241-0.0000 ( 4746 PWs) bands (ev): -6.8709 -6.8709 -6.8671 -6.8671 -6.6669 -6.6669 -6.6624 -6.6624 -2.1538 -2.1538 -2.1478 -2.1478 -1.5203 -1.5203 -1.5184 -1.5184 0.7180 0.7180 0.7221 0.7221 1.5229 1.5229 1.5344 1.5344 2.2244 2.2244 2.2724 2.2724 3.1875 3.1875 3.2126 3.2126 3.8593 3.8593 3.8980 3.8980 5.0096 5.0096 5.0465 5.0465 8.4653 8.4653 8.5234 8.5234 9.9853 9.9853 10.0105 10.0105 k = 0.3409 0.4241-0.0000 ( 4746 PWs) bands (ev): -6.9026 -6.9026 -6.8989 -6.8989 -6.6876 -6.6876 -6.6831 -6.6831 -2.1650 -2.1650 -2.1589 -2.1589 -1.4847 -1.4847 -1.4828 -1.4828 0.7471 0.7471 0.7514 0.7514 1.5256 1.5256 1.5366 1.5366 2.2771 2.2771 2.3264 2.3264 3.2353 3.2353 3.2635 3.2635 3.9073 3.9073 3.9456 3.9456 5.0478 5.0478 5.0863 5.0863 8.4146 8.4146 8.4741 8.4741 9.9961 9.9961 10.0186 10.0186 k = 0.3295 0.4241-0.0000 ( 4754 PWs) bands (ev): -6.9347 -6.9347 -6.9312 -6.9312 -6.7094 -6.7094 -6.7050 -6.7050 -2.1773 -2.1773 -2.1712 -2.1712 -1.4509 -1.4509 -1.4491 -1.4491 0.7842 0.7842 0.7888 0.7888 1.5334 1.5334 1.5441 1.5441 2.3243 2.3243 2.3746 2.3746 3.2826 3.2826 3.3140 3.3140 3.9652 3.9652 4.0027 4.0027 5.0862 5.0862 5.1262 5.1262 8.3660 8.3660 8.4268 8.4268 9.9950 9.9950 10.0144 10.0144 k = 0.3182 0.4241-0.0000 ( 4738 PWs) bands (ev): -6.9671 -6.9671 -6.9637 -6.9637 -6.7321 -6.7321 -6.7278 -6.7278 -2.1908 -2.1908 -2.1847 -2.1847 -1.4194 -1.4194 -1.4176 -1.4176 0.8292 0.8292 0.8340 0.8340 1.5470 1.5470 1.5577 1.5577 2.3646 2.3646 2.4156 2.4156 3.3320 3.3320 3.3660 3.3660 4.0313 4.0313 4.0677 4.0677 5.1247 5.1247 5.1662 5.1662 8.3195 8.3195 8.3817 8.3817 9.9812 9.9812 9.9976 9.9976 k = 0.3068 0.4241-0.0000 ( 4742 PWs) bands (ev): -6.9996 -6.9996 -6.9963 -6.9963 -6.7555 -6.7555 -6.7514 -6.7514 -2.2056 -2.2056 -2.1996 -2.1996 -1.3904 -1.3904 -1.3887 -1.3887 0.8819 0.8819 0.8869 0.8869 1.5671 1.5671 1.5778 1.5778 2.3972 2.3972 2.4483 2.4483 3.3853 3.3853 3.4213 3.4213 4.1039 4.1039 4.1391 4.1391 5.1634 5.1634 5.2063 5.2063 8.2754 8.2754 8.3389 8.3389 9.9544 9.9544 9.9677 9.9677 k = 0.2955 0.4241-0.0000 ( 4730 PWs) bands (ev): -7.0320 -7.0320 -7.0288 -7.0288 -6.7795 -6.7795 -6.7755 -6.7755 -2.2216 -2.2216 -2.2157 -2.2157 -1.3643 -1.3643 -1.3626 -1.3626 0.9420 0.9420 0.9471 0.9471 1.5938 1.5938 1.6048 1.6048 2.4221 2.4221 2.4727 2.4727 3.4433 3.4433 3.4806 3.4806 4.1813 4.1813 4.2152 4.2152 5.2022 5.2022 5.2463 5.2463 8.2336 8.2336 8.2985 8.2985 9.9146 9.9146 9.9250 9.9250 k = 0.2841 0.4241-0.0000 ( 4730 PWs) bands (ev): -7.0643 -7.0643 -7.0612 -7.0612 -6.8039 -6.8039 -6.8001 -6.8001 -2.2388 -2.2388 -2.2330 -2.2330 -1.3412 -1.3412 -1.3395 -1.3395 1.0091 1.0091 1.0143 1.0143 1.6274 1.6274 1.6388 1.6388 2.4399 2.4399 2.4897 2.4897 3.5061 3.5061 3.5439 3.5439 4.2623 4.2623 4.2949 4.2949 5.2412 5.2412 5.2864 5.2864 8.1945 8.1945 8.2608 8.2608 9.8621 9.8621 9.8700 9.8700 k = 0.2727 0.4241-0.0000 ( 4734 PWs) bands (ev): -7.0962 -7.0962 -7.0933 -7.0933 -6.8285 -6.8285 -6.8248 -6.8248 -2.2570 -2.2570 -2.2513 -2.2513 -1.3211 -1.3211 -1.3195 -1.3195 1.0829 1.0829 1.0880 1.0880 1.6678 1.6678 1.6797 1.6797 2.4516 2.4516 2.5004 2.5004 3.5728 3.5728 3.6107 3.6107 4.3460 4.3460 4.3772 4.3772 5.2803 5.2803 5.3264 5.3264 8.1582 8.1582 8.2260 8.2260 9.7975 9.7975 9.8034 9.8034 k = 0.2614 0.4241-0.0000 ( 4736 PWs) bands (ev): -7.1277 -7.1277 -7.1249 -7.1249 -6.8532 -6.8532 -6.8497 -6.8497 -2.2760 -2.2760 -2.2705 -2.2705 -1.3042 -1.3042 -1.3026 -1.3026 1.1626 1.1626 1.1676 1.1676 1.7148 1.7148 1.7273 1.7273 2.4589 2.4589 2.5065 2.5065 3.6422 3.6422 3.6798 3.6798 4.4317 4.4317 4.4614 4.4614 5.3195 5.3195 5.3661 5.3661 8.1250 8.1250 8.1941 8.1941 9.7219 9.7219 9.7262 9.7262 k = 0.2500 0.4241-0.0000 ( 4736 PWs) bands (ev): -7.1586 -7.1586 -7.1559 -7.1559 -6.8779 -6.8779 -6.8744 -6.8744 -2.2957 -2.2957 -2.2904 -2.2904 -1.2904 -1.2904 -1.2887 -1.2887 1.2478 1.2478 1.2525 1.2525 1.7678 1.7678 1.7811 1.7811 2.4632 2.4632 2.5098 2.5098 3.7127 3.7127 3.7500 3.7500 4.5188 4.5188 4.5470 4.5470 5.3585 5.3585 5.4055 5.4055 8.0950 8.0950 8.1655 8.1655 9.6362 9.6362 9.6393 9.6393 k = 0.2386 0.4241-0.0000 ( 4736 PWs) bands (ev): -7.1888 -7.1888 -7.1862 -7.1862 -6.9023 -6.9023 -6.8990 -6.8990 -2.3160 -2.3160 -2.3108 -2.3108 -1.2794 -1.2794 -1.2777 -1.2777 1.3374 1.3374 1.3418 1.3418 1.8264 1.8264 1.8404 1.8404 2.4665 2.4665 2.5124 2.5124 3.7830 3.7830 3.8196 3.8196 4.6070 4.6070 4.6336 4.6336 5.3971 5.3971 5.4441 5.4441 8.0686 8.0686 8.1404 8.1404 9.5416 9.5416 9.5439 9.5439 k = 0.2273 0.4241-0.0000 ( 4730 PWs) bands (ev): -7.2182 -7.2182 -7.2157 -7.2157 -6.9263 -6.9263 -6.9232 -6.9232 -2.3366 -2.3366 -2.3316 -2.3316 -1.2712 -1.2712 -1.2695 -1.2695 1.4307 1.4307 1.4344 1.4344 1.8896 1.8896 1.9044 1.9044 2.4709 2.4709 2.5162 2.5162 3.8516 3.8516 3.8876 3.8876 4.6960 4.6960 4.7210 4.7210 5.4348 5.4348 5.4815 5.4815 8.0459 8.0459 8.1189 8.1189 9.4393 9.4393 9.4411 9.4411 k = 0.2159 0.4241-0.0000 ( 4714 PWs) bands (ev): -7.2467 -7.2467 -7.2444 -7.2444 -6.9499 -6.9499 -6.9469 -6.9469 -2.3573 -2.3573 -2.3526 -2.3526 -1.2655 -1.2655 -1.2638 -1.2638 1.5261 1.5261 1.5289 1.5289 1.9565 1.9565 1.9717 1.9717 2.4789 2.4789 2.5238 2.5238 3.9174 3.9174 3.9527 3.9527 4.7856 4.7856 4.8088 4.8088 5.4712 5.4712 5.5172 5.5172 8.0272 8.0272 8.1013 8.1013 9.3306 9.3306 9.3323 9.3323 k = 0.2045 0.4241-0.0000 ( 4718 PWs) bands (ev): -7.2742 -7.2742 -7.2720 -7.2720 -6.9729 -6.9729 -6.9701 -6.9701 -2.3780 -2.3780 -2.3735 -2.3735 -1.2620 -1.2620 -1.2604 -1.2604 1.6217 1.6217 1.6233 1.6233 2.0261 2.0261 2.0411 2.0411 2.4934 2.4934 2.5378 2.5378 3.9794 3.9794 4.0139 4.0139 4.8751 4.8751 4.8968 4.8968 5.5058 5.5058 5.5507 5.5507 8.0127 8.0127 8.0877 8.0877 9.2171 9.2171 9.2187 9.2187 k = 0.1932 0.4241-0.0000 ( 4722 PWs) bands (ev): -7.3007 -7.3007 -7.2986 -7.2986 -6.9952 -6.9952 -6.9925 -6.9925 -2.3985 -2.3985 -2.3942 -2.3942 -1.2605 -1.2605 -1.2589 -1.2589 1.7147 1.7147 1.7149 1.7149 2.0978 2.0978 2.1114 2.1114 2.5179 2.5179 2.5613 2.5613 4.0370 4.0370 4.0705 4.0705 4.9639 4.9639 4.9842 4.9842 5.5379 5.5379 5.5815 5.5815 8.0025 8.0025 8.0783 8.0783 9.1002 9.1002 9.1018 9.1018 k = 0.1818 0.4241-0.0000 ( 4700 PWs) bands (ev): -7.3260 -7.3260 -7.3240 -7.3240 -7.0167 -7.0167 -7.0142 -7.0142 -2.4186 -2.4186 -2.4146 -2.4146 -1.2607 -1.2607 -1.2591 -1.2591 1.7990 1.7990 1.8016 1.8016 2.1720 2.1720 2.1826 2.1826 2.5559 2.5559 2.5971 2.5971 4.0898 4.0898 4.1222 4.1222 5.0511 5.0511 5.0702 5.0702 5.5669 5.5669 5.6089 5.6089 7.9966 7.9966 8.0729 8.0729 8.9818 8.9818 8.9834 8.9834 k = 0.1705 0.4241-0.0000 ( 4704 PWs) bands (ev): -7.3501 -7.3501 -7.3483 -7.3483 -7.0373 -7.0373 -7.0349 -7.0349 -2.4382 -2.4382 -2.4344 -2.4344 -1.2623 -1.2623 -1.2608 -1.2608 1.8716 1.8716 1.8766 1.8766 2.2510 2.2510 2.2570 2.2570 2.6092 2.6092 2.6471 2.6471 4.1374 4.1374 4.1686 4.1686 5.1351 5.1351 5.1532 5.1532 5.5928 5.5928 5.6329 5.6329 7.9947 7.9947 8.0712 8.0712 8.8637 8.8637 8.8655 8.8655 k = 0.1591 0.4241-0.0000 ( 4700 PWs) bands (ev): -7.3729 -7.3729 -7.3712 -7.3712 -7.0569 -7.0569 -7.0547 -7.0547 -2.4572 -2.4572 -2.4536 -2.4536 -1.2650 -1.2650 -1.2636 -1.2636 1.9286 1.9286 1.9353 1.9353 2.3376 2.3376 2.3388 2.3388 2.6776 2.6776 2.7113 2.7113 4.1800 4.1800 4.2099 4.2099 5.2138 5.2138 5.2311 5.2311 5.6157 5.6157 5.6537 5.6537 7.9962 7.9962 8.0724 8.0724 8.7486 8.7486 8.7504 8.7504 k = 0.1477 0.4241-0.0000 ( 4708 PWs) bands (ev): -7.3944 -7.3944 -7.3928 -7.3928 -7.0755 -7.0755 -7.0735 -7.0735 -2.4753 -2.4753 -2.4719 -2.4719 -1.2687 -1.2687 -1.2673 -1.2673 1.9690 1.9690 1.9763 1.9763 2.4306 2.4306 2.4333 2.4333 2.7586 2.7586 2.7880 2.7880 4.2177 4.2177 4.2461 4.2461 5.2841 5.2841 5.3006 5.3006 5.6370 5.6370 5.6726 5.6726 7.9998 7.9998 8.0750 8.0750 8.6397 8.6397 8.6412 8.6412 k = 0.1364 0.4241-0.0000 ( 4708 PWs) bands (ev): -7.4145 -7.4145 -7.4130 -7.4130 -7.0930 -7.0930 -7.0911 -7.0911 -2.4925 -2.4925 -2.4894 -2.4894 -1.2729 -1.2729 -1.2717 -1.2717 1.9952 1.9952 2.0022 2.0022 2.5319 2.5319 2.5370 2.5370 2.8489 2.8489 2.8745 2.8745 4.2506 4.2506 4.2775 4.2775 5.3416 5.3416 5.3572 5.3572 5.6593 5.6593 5.6918 5.6918 8.0030 8.0030 8.0760 8.0760 8.5416 8.5416 8.5418 8.5418 k = 0.1250 0.4241-0.0000 ( 4710 PWs) bands (ev): -7.4331 -7.4331 -7.4318 -7.4318 -7.1093 -7.1093 -7.1075 -7.1075 -2.5087 -2.5087 -2.5058 -2.5058 -1.2776 -1.2776 -1.2765 -1.2765 2.0108 2.0108 2.0168 2.0168 2.6400 2.6400 2.6466 2.6466 2.9458 2.9458 2.9683 2.9683 4.2792 4.2792 4.3044 4.3044 5.3817 5.3817 5.3955 5.3955 5.6857 5.6857 5.7143 5.7143 8.0022 8.0022 8.0705 8.0705 8.4579 8.4579 8.4608 8.4608 k = 0.1136 0.4241-0.0000 ( 4718 PWs) bands (ev): -7.4503 -7.4503 -7.4491 -7.4491 -7.1243 -7.1243 -7.1227 -7.1227 -2.5237 -2.5237 -2.5211 -2.5211 -1.2826 -1.2826 -1.2815 -1.2815 2.0190 2.0190 2.0240 2.0240 2.7522 2.7522 2.7593 2.7593 3.0467 3.0467 3.0666 3.0666 4.3036 4.3036 4.3272 4.3272 5.4009 5.4009 5.4125 5.4125 5.7178 5.7178 5.7419 5.7419 7.9919 7.9919 8.0519 8.0519 8.3961 8.3961 8.4055 8.4055 k = 0.1023 0.4241-0.0000 ( 4718 PWs) bands (ev): -7.4659 -7.4659 -7.4648 -7.4648 -7.1381 -7.1381 -7.1366 -7.1366 -2.5376 -2.5376 -2.5353 -2.5353 -1.2875 -1.2875 -1.2865 -1.2865 2.0225 2.0225 2.0265 2.0265 2.8655 2.8655 2.8728 2.8728 3.1495 3.1495 3.1676 3.1676 4.3243 4.3243 4.3462 4.3462 5.3994 5.3994 5.4090 5.4090 5.7533 5.7533 5.7730 5.7730 7.9683 7.9683 8.0171 8.0171 8.3618 8.3618 8.3800 8.3800 k = 0.0909 0.4241-0.0000 ( 4726 PWs) bands (ev): -7.4800 -7.4800 -7.4790 -7.4790 -7.1505 -7.1505 -7.1492 -7.1492 -2.5502 -2.5502 -2.5481 -2.5481 -1.2924 -1.2924 -1.2915 -1.2915 2.0229 2.0229 2.0261 2.0261 2.9778 2.9778 2.9849 2.9849 3.2525 3.2525 3.2691 3.2691 4.3415 4.3415 4.3617 4.3617 5.3806 5.3806 5.3889 5.3889 5.7877 5.7877 5.8038 5.8038 7.9331 7.9331 7.9712 7.9712 8.3543 8.3543 8.3803 8.3803 k = 0.0795 0.4241-0.0000 ( 4718 PWs) bands (ev): -7.4925 -7.4925 -7.4916 -7.4916 -7.1615 -7.1615 -7.1604 -7.1604 -2.5614 -2.5614 -2.5596 -2.5596 -1.2970 -1.2970 -1.2962 -1.2962 2.0215 2.0215 2.0240 2.0240 3.0865 3.0865 3.0931 3.0931 3.3540 3.3540 3.3693 3.3693 4.3555 4.3555 4.3739 4.3739 5.3487 5.3487 5.3563 5.3563 5.8170 5.8170 5.8304 5.8304 7.8934 7.8934 7.9231 7.9231 8.3674 8.3674 8.3982 8.3982 k = 0.0682 0.4241-0.0000 ( 4728 PWs) bands (ev): -7.5033 -7.5033 -7.5026 -7.5026 -7.1711 -7.1711 -7.1702 -7.1702 -2.5712 -2.5712 -2.5696 -2.5696 -1.3012 -1.3012 -1.3005 -1.3005 2.0192 2.0192 2.0211 2.0211 3.1893 3.1893 3.1953 3.1953 3.4519 3.4519 3.4662 3.4662 4.3667 4.3667 4.3832 4.3832 5.3076 5.3076 5.3149 5.3149 5.8390 5.8390 5.8502 5.8502 7.8558 7.8558 7.8795 7.8795 8.3946 8.3946 8.4272 8.4272 k = 0.0568 0.4241-0.0000 ( 4724 PWs) bands (ev): -7.5126 -7.5126 -7.5120 -7.5120 -7.1793 -7.1793 -7.1785 -7.1785 -2.5796 -2.5796 -2.5783 -2.5783 -1.3049 -1.3049 -1.3043 -1.3043 2.0165 2.0165 2.0180 2.0180 3.2835 3.2835 3.2886 3.2886 3.5443 3.5443 3.5575 3.5575 4.3752 4.3752 4.3898 4.3898 5.2614 5.2614 5.2683 5.2683 5.8532 5.8532 5.8625 5.8625 7.8244 7.8244 7.8433 7.8433 8.4312 8.4312 8.4639 8.4639 k = 0.0455 0.4241-0.0000 ( 4724 PWs) bands (ev): -7.5201 -7.5201 -7.5196 -7.5196 -7.1860 -7.1860 -7.1854 -7.1854 -2.5865 -2.5865 -2.5854 -2.5854 -1.3080 -1.3080 -1.3076 -1.3076 2.0139 2.0139 2.0150 2.0150 3.3663 3.3663 3.3705 3.3705 3.6286 3.6286 3.6403 3.6403 4.3816 4.3816 4.3940 4.3940 5.2138 5.2138 5.2202 5.2202 5.8605 5.8605 5.8679 5.8679 7.8007 7.8007 7.8156 7.8156 8.4747 8.4747 8.5061 8.5061 k = 0.0341 0.4241-0.0000 ( 4720 PWs) bands (ev): -7.5260 -7.5260 -7.5256 -7.5256 -7.1913 -7.1913 -7.1908 -7.1908 -2.5918 -2.5918 -2.5910 -2.5910 -1.3105 -1.3105 -1.3102 -1.3102 2.0116 2.0116 2.0123 2.0123 3.4348 3.4348 3.4380 3.4380 3.7014 3.7014 3.7112 3.7112 4.3861 4.3861 4.3960 4.3960 5.1694 5.1694 5.1749 5.1749 5.8627 5.8627 5.8683 5.8683 7.7845 7.7845 7.7956 7.7956 8.5229 8.5229 8.5523 8.5523 k = 0.0227 0.4241-0.0000 ( 4720 PWs) bands (ev): -7.5302 -7.5302 -7.5300 -7.5300 -7.1950 -7.1950 -7.1947 -7.1947 -2.5956 -2.5956 -2.5951 -2.5951 -1.3124 -1.3124 -1.3121 -1.3121 2.0099 2.0099 2.0103 2.0103 3.4864 3.4864 3.4885 3.4885 3.7588 3.7588 3.7660 3.7660 4.3893 4.3893 4.3964 4.3964 5.1330 5.1330 5.1370 5.1370 5.8621 5.8621 5.8660 5.8660 7.7748 7.7748 7.7822 7.7822 8.5735 8.5735 8.5993 8.5993 k = 0.0114 0.4241-0.0000 ( 4716 PWs) bands (ev): -7.5327 -7.5327 -7.5326 -7.5326 -7.1972 -7.1972 -7.1970 -7.1970 -2.5978 -2.5978 -2.5976 -2.5976 -1.3134 -1.3134 -1.3133 -1.3133 2.0088 2.0088 2.0090 2.0090 3.5185 3.5185 3.5196 3.5196 3.7965 3.7965 3.8004 3.8004 4.3918 4.3918 4.3955 4.3955 5.1091 5.1091 5.1113 5.1113 5.8611 5.8611 5.8631 5.8631 7.7703 7.7703 7.7740 7.7740 8.6205 8.6205 8.6384 8.6384 k = 0.0000 0.4241-0.0000 ( 4716 PWs) bands (ev): -7.5335 -7.5335 -7.5335 -7.5335 -7.1979 -7.1979 -7.1979 -7.1979 -2.5985 -2.5985 -2.5985 -2.5985 -1.3137 -1.3137 -1.3137 -1.3137 2.0085 2.0085 2.0085 2.0085 3.5298 3.5298 3.5298 3.5298 3.8109 3.8109 3.8109 3.8109 4.3938 4.3938 4.3938 4.3938 5.1015 5.1015 5.1015 5.1015 5.8613 5.8613 5.8613 5.8613 7.7701 7.7701 7.7701 7.7701 8.6488 8.6488 8.6488 8.6488 k = 0.0000 0.4241-0.0000 ( 4716 PWs) bands (ev): -7.5335 -7.5335 -7.5335 -7.5335 -7.1979 -7.1979 -7.1979 -7.1979 -2.5985 -2.5985 -2.5985 -2.5985 -1.3137 -1.3137 -1.3137 -1.3137 2.0085 2.0085 2.0085 2.0085 3.5298 3.5298 3.5298 3.5298 3.8109 3.8109 3.8109 3.8109 4.3938 4.3938 4.3938 4.3938 5.1015 5.1015 5.1015 5.1015 5.8613 5.8613 5.8613 5.8613 7.7701 7.7701 7.7701 7.7701 8.6488 8.6488 8.6488 8.6488 k = 0.0000 0.4126-0.0000 ( 4722 PWs) bands (ev): -7.5750 -7.5750 -7.4927 -7.4927 -7.2401 -7.2401 -7.1558 -7.1558 -2.6466 -2.6466 -2.5459 -2.5459 -1.3599 -1.3599 -1.2644 -1.2644 1.9364 1.9364 2.0814 2.0814 3.4946 3.4946 3.5637 3.5637 3.7768 3.7768 3.8445 3.8445 4.3724 4.3724 4.4080 4.4080 5.0156 5.0156 5.1902 5.1902 5.8215 5.8215 5.8980 5.8980 7.7072 7.7072 7.8380 7.8380 8.5880 8.5880 8.6963 8.6963 k = 0.0000 0.4011-0.0000 ( 4722 PWs) bands (ev): -7.6172 -7.6172 -7.4529 -7.4529 -7.2823 -7.2823 -7.1140 -7.1140 -2.6901 -2.6901 -2.4889 -2.4889 -1.4028 -1.4028 -1.2120 -1.2120 1.8652 1.8652 2.1546 2.1546 3.4583 3.4583 3.5961 3.5961 3.7422 3.7422 3.8776 3.8776 4.3453 4.3453 4.4126 4.4126 4.9344 4.9344 5.2802 5.2802 5.7809 5.7809 5.9295 5.9295 7.6507 7.6507 7.9093 7.9093 8.5235 8.5235 8.7036 8.7036 k = 0.0000 0.3897-0.0000 ( 4720 PWs) bands (ev): -7.6597 -7.6597 -7.4141 -7.4141 -7.3245 -7.3245 -7.0725 -7.0725 -2.7288 -2.7288 -2.4277 -2.4277 -1.4422 -1.4422 -1.1566 -1.1566 1.7951 1.7951 2.2278 2.2278 3.4211 3.4211 3.6270 3.6270 3.7074 3.7074 3.9101 3.9101 4.3138 4.3138 4.4048 4.4048 4.8603 4.8603 5.3702 5.3702 5.7417 5.7417 5.9534 5.9534 7.6025 7.6025 7.9827 7.9827 8.4587 8.4587 8.6586 8.6586 k = 0.0000 0.3782-0.0000 ( 4716 PWs) bands (ev): -7.7026 -7.7026 -7.3767 -7.3767 -7.3666 -7.3666 -7.0315 -7.0315 -2.7628 -2.7628 -2.3624 -2.3624 -1.4782 -1.4782 -1.0984 -1.0984 1.7263 1.7263 2.3007 2.3007 3.3832 3.3832 3.6561 3.6561 3.6724 3.6724 3.9418 3.9418 4.2789 4.2789 4.3822 4.3822 4.7953 4.7953 5.4592 5.4592 5.7058 5.7058 5.9675 5.9675 7.5642 7.5642 8.0570 8.0570 8.3956 8.3956 8.5891 8.5891 k = 0.0000 0.3667-0.0000 ( 4704 PWs) bands (ev): -7.7455 -7.7455 -7.4084 -7.4084 -7.3406 -7.3406 -6.9911 -6.9911 -2.7917 -2.7917 -2.2930 -2.2930 -1.5106 -1.5106 -1.0376 -1.0376 1.6590 1.6590 2.3728 2.3728 3.3447 3.3447 3.6372 3.6372 3.6833 3.6833 3.9726 3.9726 4.2412 4.2412 4.3434 4.3434 4.7404 4.7404 5.5457 5.5457 5.6748 5.6748 5.9700 5.9700 7.5368 7.5368 8.1306 8.1306 8.3365 8.3365 8.5116 8.5116 k = 0.0000 0.3553-0.0000 ( 4712 PWs) bands (ev): -7.7884 -7.7884 -7.4499 -7.4499 -7.3061 -7.3061 -6.9513 -6.9513 -2.8157 -2.8157 -2.2199 -2.2199 -1.5395 -1.5395 -0.9743 -0.9743 1.5934 1.5934 2.4434 2.4434 3.3058 3.3058 3.6020 3.6020 3.7085 3.7085 4.0024 4.0024 4.2013 4.2013 4.2901 4.2901 4.6942 4.6942 5.6263 5.6263 5.6523 5.6523 5.9601 5.9601 7.5211 7.5211 8.1992 8.1992 8.2864 8.2864 8.4318 8.4318 k = 0.0000 0.3438-0.0000 ( 4716 PWs) bands (ev): -7.8311 -7.8311 -7.4909 -7.4909 -7.2733 -7.2733 -6.9122 -6.9122 -2.8347 -2.8347 -2.1430 -2.1430 -1.5646 -1.5646 -0.9087 -0.9087 1.5296 1.5296 2.5118 2.5118 3.2667 3.2667 3.5669 3.5669 3.7317 3.7317 4.0306 4.0306 4.1595 4.1595 4.2260 4.2260 4.6532 4.6532 5.6302 5.6302 5.7074 5.7074 5.9384 5.9384 7.5168 7.5168 8.2168 8.2168 8.2917 8.2917 8.3530 8.3530 k = 0.0000 0.3324-0.0000 ( 4712 PWs) bands (ev): -7.8735 -7.8735 -7.5315 -7.5315 -7.2423 -7.2423 -6.8740 -6.8740 -2.8485 -2.8485 -2.0626 -2.0626 -1.5861 -1.5861 -0.8410 -0.8410 1.4677 1.4677 2.5770 2.5770 3.2276 3.2276 3.5319 3.5319 3.7528 3.7528 4.0555 4.0555 4.1165 4.1165 4.1570 4.1570 4.6144 4.6144 5.6200 5.6200 5.7718 5.7718 5.9104 5.9104 7.5226 7.5226 8.1832 8.1832 8.2717 8.2717 8.3581 8.3581 k = 0.0000 0.3209-0.0000 ( 4714 PWs) bands (ev): -7.9154 -7.9154 -7.5714 -7.5714 -7.2132 -7.2132 -6.8368 -6.8368 -2.8573 -2.8573 -1.9787 -1.9787 -1.6038 -1.6038 -0.7713 -0.7713 1.4079 1.4079 2.6380 2.6380 3.1885 3.1885 3.4971 3.4971 3.7718 3.7718 4.0561 4.0561 4.0715 4.0715 4.1081 4.1081 4.5758 4.5758 5.6167 5.6167 5.7961 5.7961 5.9037 5.9037 7.5366 7.5366 8.1549 8.1549 8.1955 8.1955 8.4240 8.4240 k = 0.0000 0.3094-0.0000 ( 4708 PWs) bands (ev): -7.9568 -7.9568 -7.6106 -7.6106 -7.1860 -7.1860 -6.8007 -6.8007 -2.8610 -2.8610 -1.8916 -1.8916 -1.6180 -1.6180 -0.7000 -0.7000 1.3503 1.3503 2.6932 2.6932 3.1498 3.1498 3.4627 3.4627 3.7887 3.7887 3.9944 3.9944 4.0236 4.0236 4.1209 4.1209 4.5370 4.5370 5.6198 5.6198 5.7573 5.7573 5.9412 5.9412 7.5567 7.5567 8.1189 8.1189 8.1404 8.1404 8.4878 8.4878 k = 0.0000 0.2980-0.0000 ( 4720 PWs) bands (ev): -7.9975 -7.9975 -7.6491 -7.6491 -7.1609 -7.1609 -6.7656 -6.7656 -2.8596 -2.8596 -1.8013 -1.8013 -1.6284 -1.6284 -0.6273 -0.6273 1.2951 1.2951 2.7410 2.7410 3.1114 3.1114 3.4288 3.4288 3.8033 3.8033 3.9210 3.9210 3.9761 3.9761 4.1435 4.1435 4.4988 4.4988 5.6281 5.6281 5.6928 5.6928 5.9861 5.9861 7.5810 7.5810 8.0469 8.0469 8.1378 8.1378 8.5481 8.5481 k = 0.0000 0.2865-0.0000 ( 4710 PWs) bands (ev): -8.0373 -8.0373 -7.6868 -7.6868 -7.1377 -7.1377 -6.7318 -6.7318 -2.8533 -2.8533 -1.7081 -1.7081 -1.6353 -1.6353 -0.5534 -0.5534 1.2425 1.2425 2.7795 2.7795 3.0736 3.0736 3.3955 3.3955 3.8153 3.8153 3.8490 3.8490 3.9274 3.9274 4.1662 4.1662 4.4627 4.4627 5.6114 5.6114 5.6469 5.6469 6.0237 6.0237 7.6084 7.6084 7.9770 7.9770 8.1508 8.1508 8.6040 8.6040 k = 0.0000 0.2751-0.0000 ( 4704 PWs) bands (ev): -8.0763 -8.0763 -7.7235 -7.7235 -7.1166 -7.1166 -6.6994 -6.6994 -2.8421 -2.8421 -1.6391 -1.6391 -1.6116 -1.6116 -0.4787 -0.4787 1.1926 1.1926 2.8066 2.8066 3.0365 3.0365 3.3628 3.3628 3.7779 3.7779 3.8262 3.8262 3.8784 3.8784 4.1880 4.1880 4.4309 4.4309 5.5297 5.5297 5.6626 5.6626 6.0502 6.0502 7.6385 7.6385 7.9106 7.9106 8.1783 8.1783 8.6549 8.6549 k = 0.0000 0.2636-0.0000 ( 4710 PWs) bands (ev): -8.1143 -8.1143 -7.7592 -7.7592 -7.0975 -7.0975 -6.6683 -6.6683 -2.8262 -2.8262 -1.6390 -1.6390 -1.5128 -1.5128 -0.4035 -0.4035 1.1456 1.1456 2.8206 2.8206 3.0002 3.0002 3.3308 3.3308 3.7119 3.7119 3.8172 3.8172 3.8442 3.8442 4.2085 4.2085 4.4058 4.4058 5.4409 5.4409 5.6834 5.6834 6.0643 6.0643 7.6705 7.6705 7.8496 7.8496 8.2184 8.2184 8.7006 8.7006 k = 0.0000 0.2521-0.0000 ( 4710 PWs) bands (ev): -8.1512 -8.1512 -7.7939 -7.7939 -7.0803 -7.0803 -6.6387 -6.6387 -2.8057 -2.8057 -1.6360 -1.6360 -1.4114 -1.4114 -0.3283 -0.3283 1.1019 1.1019 2.8204 2.8204 2.9650 2.9650 3.2995 3.2995 3.6487 3.6487 3.7682 3.7682 3.8469 3.8469 4.2277 4.2277 4.3898 4.3898 5.3483 5.3483 5.7068 5.7068 6.0657 6.0657 7.6962 7.6962 7.8038 7.8038 8.2689 8.2689 8.7405 8.7405 k = 0.0000 0.2407-0.0000 ( 4712 PWs) bands (ev): -8.1869 -8.1869 -7.8275 -7.8275 -7.0651 -7.0651 -6.6105 -6.6105 -2.7809 -2.7809 -1.6299 -1.6299 -1.3075 -1.3075 -0.2536 -0.2536 1.0617 1.0617 2.8057 2.8057 2.9309 2.9309 3.2690 3.2690 3.5875 3.5875 3.7133 3.7133 3.8519 3.8519 4.2455 4.2455 4.3848 4.3848 5.2533 5.2533 5.7318 5.7318 6.0548 6.0548 7.6837 7.6837 7.8057 7.8057 8.3271 8.3271 8.7744 8.7744 k = 0.0000 0.2292-0.0000 ( 4726 PWs) bands (ev): -8.2214 -8.2214 -7.8598 -7.8598 -7.0516 -7.0516 -6.5839 -6.5839 -2.7519 -2.7519 -1.6211 -1.6211 -1.2013 -1.2013 -0.1799 -0.1799 1.0254 1.0254 2.7778 2.7778 2.8979 2.8979 3.2392 3.2392 3.5270 3.5270 3.6559 3.6559 3.8559 3.8559 4.2618 4.2618 4.3918 4.3918 5.1571 5.1571 5.7577 5.7577 6.0327 6.0327 7.6386 7.6386 7.8501 7.8501 8.3909 8.3909 8.8024 8.8024 k = 0.0000 0.2178-0.0000 ( 4718 PWs) bands (ev): -8.2546 -8.2546 -7.8910 -7.8910 -7.0399 -7.0399 -6.5589 -6.5589 -2.7191 -2.7191 -1.6098 -1.6098 -1.0931 -1.0931 -0.1080 -0.1080 0.9936 0.9936 2.7387 2.7387 2.8661 2.8661 3.2103 3.2103 3.4659 3.4659 3.5958 3.5958 3.8588 3.8588 4.2768 4.2768 4.4108 4.4108 5.0608 5.0608 5.7839 5.7839 6.0011 6.0011 7.5877 7.5877 7.9099 7.9099 8.4582 8.4582 8.8242 8.8242 k = 0.0000 0.2063-0.0000 ( 4726 PWs) bands (ev): -8.2865 -8.2865 -7.9208 -7.9208 -7.0298 -7.0298 -6.5355 -6.5355 -2.6828 -2.6828 -1.5962 -1.5962 -0.9830 -0.9830 -0.0388 -0.0388 0.9668 0.9668 2.6910 2.6910 2.8353 2.8353 3.1823 3.1823 3.4030 3.4030 3.5329 3.5329 3.8605 3.8605 4.2906 4.2906 4.4406 4.4406 4.9654 4.9654 5.8097 5.8097 5.9619 5.9619 7.5376 7.5376 7.9778 7.9778 8.5274 8.5274 8.8402 8.8402 k = 0.0000 0.1948-0.0000 ( 4718 PWs) bands (ev): -8.3169 -8.3169 -7.9493 -7.9493 -7.0211 -7.0211 -6.5136 -6.5136 -2.6432 -2.6432 -1.5808 -1.5808 -0.8713 -0.8713 0.0269 0.0269 0.9457 0.9457 2.6370 2.6370 2.8057 2.8057 3.1551 3.1551 3.3383 3.3383 3.4670 3.4670 3.8613 3.8613 4.3032 4.3032 4.4796 4.4796 4.8718 4.8718 5.8327 5.8327 5.9187 5.9187 7.4898 7.4898 8.0512 8.0512 8.5971 8.5971 8.8506 8.8506 k = 0.0000 0.1834-0.0000 ( 4718 PWs) bands (ev): -8.3458 -8.3458 -7.9764 -7.9764 -7.0139 -7.0139 -6.4933 -6.4933 -2.6008 -2.6008 -1.5639 -1.5639 -0.7581 -0.7581 0.0879 0.0879 0.9312 0.9312 2.5789 2.5789 2.7774 2.7774 3.1288 3.1288 3.2719 3.2719 3.3976 3.3976 3.8612 3.8612 4.3145 4.3145 4.5255 4.5255 4.7813 4.7813 5.8376 5.8376 5.8881 5.8881 7.4448 7.4448 8.1286 8.1286 8.6661 8.6661 8.8558 8.8558 k = 0.0000 0.1719-0.0000 ( 4710 PWs) bands (ev): -8.3732 -8.3732 -8.0021 -8.0021 -7.0078 -7.0078 -6.4745 -6.4745 -2.5560 -2.5560 -1.5458 -1.5458 -0.6439 -0.6439 0.1430 0.1430 0.9242 0.9242 2.5186 2.5186 2.7505 2.7505 3.1028 3.1028 3.2048 3.2048 3.3246 3.3246 3.8604 3.8604 4.3247 4.3247 4.5747 4.5747 4.6966 4.6966 5.7970 5.7970 5.8986 5.8986 7.4031 7.4031 8.2085 8.2085 8.7334 8.7334 8.8563 8.8563 k = 0.0000 0.1605-0.0000 ( 4710 PWs) bands (ev): -8.3990 -8.3990 -8.0262 -8.0262 -7.0029 -7.0029 -6.4573 -6.4573 -2.5092 -2.5092 -1.5270 -1.5270 -0.5289 -0.5289 0.1913 0.1913 0.9253 0.9253 2.4574 2.4574 2.7251 2.7251 3.0754 3.0754 3.1394 3.1394 3.2479 3.2479 3.8590 3.8590 4.3337 4.3337 4.5903 4.5903 4.6536 4.6536 5.7424 5.7424 5.9197 5.9197 7.3648 7.3648 8.2899 8.2899 8.7980 8.7980 8.8525 8.8525 k = 0.0000 0.1490-0.0000 ( 4707 PWs) bands (ev): -8.4233 -8.4233 -8.0489 -8.0489 -6.9990 -6.9990 -6.4416 -6.4416 -2.4609 -2.4609 -1.5079 -1.5079 -0.4138 -0.4138 0.2322 0.2322 0.9349 0.9349 2.3968 2.3968 2.7011 2.7011 3.0380 3.0380 3.0852 3.0852 3.1674 3.1674 3.8570 3.8570 4.3414 4.3414 4.5222 4.5222 4.7013 4.7013 5.6850 5.6850 5.9413 5.9413 7.3301 7.3301 8.3716 8.3716 8.8449 8.8449 8.8592 8.8592 k = 0.0000 0.1375-0.0000 ( 4699 PWs) bands (ev): -8.4458 -8.4458 -8.0701 -8.0701 -6.9959 -6.9959 -6.4272 -6.4272 -2.4116 -2.4116 -1.4889 -1.4889 -0.2993 -0.2993 0.2659 0.2659 0.9527 0.9527 2.3378 2.3378 2.6788 2.6788 2.9808 2.9808 3.0527 3.0527 3.0832 3.0832 3.8546 3.8546 4.3475 4.3475 4.4502 4.4502 4.7596 4.7596 5.6270 5.6270 5.9617 5.9617 7.2991 7.2991 8.4527 8.4527 8.8337 8.8337 8.9163 8.9163 k = 0.0000 0.1261-0.0000 ( 4695 PWs) bands (ev): -8.4667 -8.4667 -8.0896 -8.0896 -6.9935 -6.9935 -6.4143 -6.4143 -2.3619 -2.3619 -1.4706 -1.4706 -0.1865 -0.1865 0.2936 0.2936 0.9776 0.9776 2.2813 2.2813 2.6581 2.6581 2.9161 2.9161 2.9958 2.9958 3.0304 3.0304 3.8520 3.8520 4.3480 4.3480 4.3870 4.3870 4.8188 4.8188 5.5699 5.5699 5.9806 5.9806 7.2718 7.2718 8.5322 8.5322 8.8190 8.8190 8.9567 8.9567 k = 0.0000 0.1146-0.0000 ( 4697 PWs) bands (ev): -8.4859 -8.4859 -8.1076 -8.1076 -6.9918 -6.9918 -6.4028 -6.4028 -2.3124 -2.3124 -1.4532 -1.4532 -0.0776 -0.0776 0.3179 0.3179 1.0078 1.0078 2.2281 2.2281 2.6390 2.6390 2.8511 2.8511 2.9059 2.9059 3.0117 3.0117 3.8491 3.8491 4.3101 4.3101 4.3667 4.3667 4.8771 4.8771 5.5145 5.5145 5.9976 5.9976 7.2482 7.2482 8.6094 8.6094 8.8006 8.8006 8.9234 8.9234 k = 0.0000 0.1031-0.0000 ( 4701 PWs) bands (ev): -8.5033 -8.5033 -8.1239 -8.1239 -6.9906 -6.9906 -6.3925 -6.3925 -2.2638 -2.2638 -1.4372 -1.4372 0.0238 0.0238 0.3436 0.3436 1.0412 1.0412 2.1789 2.1789 2.6215 2.6215 2.7878 2.7878 2.8144 2.8144 2.9953 2.9953 3.8460 3.8460 4.2546 4.2546 4.3687 4.3687 4.9332 4.9332 5.4618 5.4618 6.0126 6.0126 7.2284 7.2284 8.6832 8.6832 8.7783 8.7783 8.8950 8.8950 k = 0.0000 0.0917-0.0000 ( 4699 PWs) bands (ev): -8.5189 -8.5189 -8.1385 -8.1385 -6.9897 -6.9897 -6.3835 -6.3835 -2.2168 -2.2168 -1.4230 -1.4230 0.1103 0.1103 0.3786 0.3786 1.0754 1.0754 2.1341 2.1341 2.6057 2.6057 2.7182 2.7182 2.7319 2.7319 2.9808 2.9808 3.8429 3.8429 4.2029 4.2029 4.3720 4.3720 4.9863 4.9863 5.4124 5.4124 6.0256 6.0256 7.2121 7.2121 8.7526 8.7526 8.7530 8.7530 8.8727 8.8727 k = 0.0000 0.0802-0.0000 ( 4705 PWs) bands (ev): -8.5328 -8.5328 -8.1515 -8.1515 -6.9892 -6.9892 -6.3757 -6.3757 -2.1722 -2.1722 -1.4107 -1.4107 0.1730 0.1730 0.4325 0.4325 1.1079 1.1079 2.0942 2.0942 2.5912 2.5912 2.6283 2.6283 2.6750 2.6750 2.9680 2.9680 3.8398 3.8398 4.1567 4.1567 4.3750 4.3750 5.0354 5.0354 5.3672 5.3672 6.0365 6.0365 7.1991 7.1991 8.7257 8.7257 8.8148 8.8148 8.8584 8.8584 k = 0.0000 0.0688-0.0000 ( 4715 PWs) bands (ev): -8.5448 -8.5448 -8.1628 -8.1628 -6.9890 -6.9890 -6.3690 -6.3690 -2.1308 -2.1308 -1.4004 -1.4004 0.2097 0.2097 0.5073 0.5073 1.1365 1.1365 2.0596 2.0596 2.5388 2.5388 2.5785 2.5785 2.6254 2.6254 2.9569 2.9569 3.8368 3.8368 4.1164 4.1164 4.3776 4.3776 5.0798 5.0798 5.3266 5.3266 6.0454 6.0454 7.1891 7.1891 8.6987 8.6987 8.8349 8.8349 8.8851 8.8851 k = 0.0000 0.0573-0.0000 ( 4709 PWs) bands (ev): -8.5550 -8.5550 -8.1724 -8.1724 -6.9889 -6.9889 -6.3634 -6.3634 -2.0936 -2.0936 -1.3923 -1.3923 0.2286 0.2286 0.5942 0.5942 1.1590 1.1590 2.0303 2.0303 2.4548 2.4548 2.5627 2.5627 2.5861 2.5861 2.9476 2.9476 3.8339 3.8339 4.0820 4.0820 4.3798 4.3798 5.1188 5.1188 5.2914 5.2914 6.0524 6.0524 7.1818 7.1818 8.6735 8.6735 8.8271 8.8271 8.9371 8.9371 k = 0.0000 0.0458-0.0000 ( 4713 PWs) bands (ev): -8.5634 -8.5634 -8.1802 -8.1802 -6.9889 -6.9889 -6.3589 -6.3589 -2.0614 -2.0614 -1.3862 -1.3862 0.2381 0.2381 0.6834 0.6834 1.1734 1.1734 2.0066 2.0066 2.3785 2.3785 2.5351 2.5351 2.5672 2.5672 2.9399 2.9399 3.8313 3.8313 4.0538 4.0538 4.3815 4.3815 5.1516 5.1516 5.2618 5.2618 6.0577 6.0577 7.1767 7.1767 8.6514 8.6514 8.8199 8.8199 8.9845 8.9845 k = 0.0000 0.0344-0.0000 ( 4713 PWs) bands (ev): -8.5699 -8.5699 -8.1864 -8.1864 -6.9889 -6.9889 -6.3554 -6.3554 -2.0351 -2.0351 -1.3819 -1.3819 0.2428 0.2428 0.7677 0.7677 1.1786 1.1786 1.9882 1.9882 2.3135 2.3135 2.5065 2.5065 2.5586 2.5586 2.9339 2.9339 3.8290 3.8290 4.0318 4.0318 4.3828 4.3828 5.1779 5.1779 5.2384 5.2384 6.0616 6.0616 7.1733 7.1733 8.6333 8.6333 8.8146 8.8146 9.0250 9.0250 k = 0.0000 0.0229-0.0000 ( 4717 PWs) bands (ev): -8.5746 -8.5746 -8.1907 -8.1907 -6.9890 -6.9890 -6.3530 -6.3530 -2.0156 -2.0156 -1.3791 -1.3791 0.2450 0.2450 0.8404 0.8404 1.1749 1.1749 1.9753 1.9753 2.2635 2.2635 2.4847 2.4847 2.5533 2.5533 2.9296 2.9296 3.8272 3.8272 4.0161 4.0161 4.3837 4.3837 5.1969 5.1969 5.2215 5.2215 6.0641 6.0641 7.1712 7.1712 8.6199 8.6199 8.8110 8.8110 9.0572 9.0572 k = 0.0000 0.0115-0.0000 ( 4721 PWs) bands (ev): -8.5774 -8.5774 -8.1934 -8.1934 -6.9891 -6.9891 -6.3515 -6.3515 -2.0036 -2.0036 -1.3775 -1.3775 0.2460 0.2460 0.8924 0.8924 1.1664 1.1664 1.9676 1.9676 2.2317 2.2317 2.4713 2.4713 2.5502 2.5502 2.9271 2.9271 3.8260 3.8260 4.0066 4.0066 4.3843 4.3843 5.2085 5.2085 5.2112 5.2112 6.0656 6.0656 7.1701 7.1701 8.6116 8.6116 8.8089 8.8089 9.0790 9.0790 k = 0.0000 0.0000 0.0000 ( 4719 PWs) bands (ev): -8.5784 -8.5784 -8.1942 -8.1942 -6.9891 -6.9891 -6.3510 -6.3510 -1.9996 -1.9996 -1.3771 -1.3771 0.2463 0.2463 0.9120 0.9120 1.1617 1.1617 1.9650 1.9650 2.2209 2.2209 2.4668 2.4668 2.5492 2.5492 2.9262 2.9262 3.8256 3.8256 4.0035 4.0035 4.3845 4.3845 5.2078 5.2078 5.2124 5.2124 6.0660 6.0660 7.1698 7.1698 8.6088 8.6088 8.8082 8.8082 9.0870 9.0870 k = 0.0000 0.0000 0.0000 ( 4719 PWs) bands (ev): -8.5784 -8.5784 -8.1942 -8.1942 -6.9891 -6.9891 -6.3510 -6.3510 -1.9996 -1.9996 -1.3771 -1.3771 0.2463 0.2463 0.9120 0.9120 1.1617 1.1617 1.9650 1.9650 2.2209 2.2209 2.4668 2.4668 2.5492 2.5492 2.9262 2.9262 3.8256 3.8256 4.0035 4.0035 4.3845 4.3845 5.2078 5.2078 5.2124 5.2124 6.0660 6.0660 7.1698 7.1698 8.6088 8.6088 8.8082 8.8082 9.0870 9.0870 k = 0.0000 0.0000 0.0116 ( 4723 PWs) bands (ev): -8.5776 -8.5776 -8.1958 -8.1958 -6.9869 -6.9869 -6.3525 -6.3525 -1.9985 -1.9985 -1.3801 -1.3801 0.2510 0.2510 0.9129 0.9129 1.1602 1.1602 1.9522 1.9522 2.2329 2.2329 2.4693 2.4693 2.5500 2.5500 2.9246 2.9246 3.8275 3.8275 4.0019 4.0019 4.3832 4.3832 5.1809 5.1809 5.2278 5.2278 6.0644 6.0644 7.1859 7.1859 8.6057 8.6057 8.8032 8.8032 9.0826 9.0826 k = 0.0000 0.0000 0.0232 ( 4724 PWs) bands (ev): -8.5753 -8.5753 -8.2004 -8.2004 -6.9803 -6.9803 -6.3570 -6.3570 -1.9953 -1.9953 -1.3892 -1.3892 0.2652 0.2652 0.9154 0.9154 1.1557 1.1557 1.9191 1.9191 2.2637 2.2637 2.4769 2.4769 2.5524 2.5524 2.9199 2.9199 3.8329 3.8329 3.9971 3.9971 4.3795 4.3795 5.1335 5.1335 5.2423 5.2423 6.0594 6.0594 7.2327 7.2327 8.5965 8.5965 8.7890 8.7890 9.0720 9.0720 k = 0.0000 0.0000 0.0348 ( 4726 PWs) bands (ev): -8.5714 -8.5714 -8.2079 -8.2079 -6.9695 -6.9695 -6.3645 -6.3645 -1.9899 -1.9899 -1.4038 -1.4038 0.2882 0.2882 0.9198 0.9198 1.1485 1.1485 1.8742 1.8742 2.3046 2.3046 2.4893 2.4893 2.5564 2.5564 2.9123 2.9123 3.8416 3.8416 3.9897 3.9897 4.3733 4.3733 5.0665 5.0665 5.2586 5.2586 6.0511 6.0511 7.3058 7.3058 8.5825 8.5825 8.7680 8.7680 9.0582 9.0582 k = 0.0000 0.0000 0.0464 ( 4720 PWs) bands (ev): -8.5660 -8.5660 -8.2181 -8.2181 -6.9547 -6.9547 -6.3749 -6.3749 -1.9823 -1.9823 -1.4234 -1.4234 0.3193 0.3193 0.9259 0.9259 1.1384 1.1384 1.8228 1.8228 2.3501 2.3501 2.5064 2.5064 2.5620 2.5620 2.9020 2.9020 3.8528 3.8528 3.9804 3.9804 4.3647 4.3647 4.9833 4.9833 5.2786 5.2786 6.0394 6.0394 7.3999 7.3999 8.5650 8.5650 8.7425 8.7425 9.0426 9.0426 k = 0.0000 0.0000 0.0580 ( 4712 PWs) bands (ev): -8.5591 -8.5591 -8.2307 -8.2307 -6.9363 -6.9363 -6.3881 -6.3881 -1.9726 -1.9726 -1.4473 -1.4473 0.3576 0.3576 0.9339 0.9339 1.1259 1.1259 1.7676 1.7676 2.3974 2.3974 2.5276 2.5276 2.5694 2.5694 2.8893 2.8893 3.8654 3.8654 3.9707 3.9707 4.3537 4.3537 4.8882 4.8882 5.3029 5.3029 6.0243 6.0243 7.5091 7.5091 8.5456 8.5456 8.7145 8.7145 9.0253 9.0253 k = 0.0000 0.0000 0.0696 ( 4726 PWs) bands (ev): -8.5507 -8.5507 -8.2454 -8.2454 -6.9147 -6.9147 -6.4040 -6.4040 -1.9608 -1.9608 -1.4746 -1.4746 0.4020 0.4020 0.9439 0.9439 1.1109 1.1109 1.7099 1.7099 2.4446 2.4446 2.5524 2.5524 2.5787 2.5787 2.8748 2.8748 3.8769 3.8769 3.9635 3.9635 4.3403 4.3403 4.7855 4.7855 5.3313 5.3313 6.0058 6.0058 7.6284 7.6284 8.5258 8.5258 8.6856 8.6856 9.0059 9.0059 k = 0.0000 0.0000 0.0812 ( 4726 PWs) bands (ev): -8.5409 -8.5409 -8.2618 -8.2618 -6.8902 -6.8902 -6.4225 -6.4225 -1.9469 -1.9469 -1.5045 -1.5045 0.4513 0.4513 0.9561 0.9561 1.0936 1.0936 1.6504 1.6504 2.4903 2.4903 2.5800 2.5800 2.5903 2.5903 2.8587 2.8587 3.8834 3.8834 3.9633 3.9633 4.3246 4.3246 4.6791 4.6791 5.3635 5.3635 5.9838 5.9838 7.7532 7.7532 8.5067 8.5067 8.6570 8.6570 8.9841 8.9841 k = 0.0000 0.0000 0.0928 ( 4718 PWs) bands (ev): -8.5297 -8.5297 -8.2796 -8.2796 -6.8633 -6.8633 -6.4434 -6.4434 -1.9309 -1.9309 -1.5362 -1.5362 0.5044 0.5044 0.9707 0.9707 1.0743 1.0743 1.5896 1.5896 2.5326 2.5326 2.6050 2.6050 2.6095 2.6095 2.8416 2.8416 3.8826 3.8826 3.9732 3.9732 4.3065 4.3065 4.5722 4.5722 5.3992 5.3992 5.9584 5.9584 7.8794 7.8794 8.4894 8.4894 8.6295 8.6295 8.9593 8.9593 k = 0.0000 0.0000 0.1044 ( 4726 PWs) bands (ev): -8.5171 -8.5171 -8.2985 -8.2985 -6.8344 -6.8344 -6.4666 -6.4666 -1.9129 -1.9129 -1.5692 -1.5692 0.5599 0.5599 0.9881 0.9881 1.0530 1.0530 1.5282 1.5282 2.5687 2.5687 2.6252 2.6252 2.6391 2.6391 2.8240 2.8240 3.8775 3.8775 3.9912 3.9912 4.2856 4.2856 4.4680 4.4680 5.4378 5.4378 5.9297 5.9297 8.0036 8.0036 8.4745 8.4745 8.6042 8.6042 8.9311 8.9311 k = 0.0000 0.0000 0.1160 ( 4722 PWs) bands (ev): -8.5033 -8.5033 -8.3181 -8.3181 -6.8039 -6.8039 -6.4919 -6.4919 -1.8928 -1.8928 -1.6028 -1.6028 0.6167 0.6167 1.0087 1.0087 1.0297 1.0297 1.4664 1.4664 2.5961 2.5961 2.6521 2.6521 2.6671 2.6671 2.8067 2.8067 3.8731 3.8731 4.0139 4.0139 4.2604 4.2604 4.3704 4.3704 5.4788 5.4788 5.8978 5.8978 8.1223 8.1223 8.4625 8.4625 8.5820 8.5820 8.8989 8.8989 k = 0.0000 0.0000 0.1276 ( 4726 PWs) bands (ev): -8.4883 -8.4883 -8.3382 -8.3382 -6.7723 -6.7723 -6.5190 -6.5190 -1.8708 -1.8708 -1.6365 -1.6365 0.6734 0.6734 1.0041 1.0041 1.0331 1.0331 1.4051 1.4051 2.6171 2.6171 2.6820 2.6820 2.6911 2.6911 2.7907 2.7907 3.8732 3.8732 4.0388 4.0388 4.2237 4.2237 4.2890 4.2890 5.5216 5.5216 5.8628 5.8628 8.2316 8.2316 8.4537 8.4537 8.5648 8.5648 8.8619 8.8619 k = 0.0000 0.0000 0.1391 ( 4728 PWs) bands (ev): -8.4721 -8.4721 -8.3585 -8.3585 -6.7398 -6.7398 -6.5478 -6.5478 -1.8468 -1.8468 -1.6698 -1.6698 0.7284 0.7284 0.9762 0.9762 1.0618 1.0618 1.3448 1.3448 2.6355 2.6355 2.7048 2.7048 2.7126 2.7126 2.7783 2.7783 3.8806 3.8806 4.0642 4.0642 4.1621 4.1621 4.2400 4.2400 5.5657 5.5657 5.8252 5.8252 8.3265 8.3265 8.4480 8.4480 8.5563 8.5563 8.8196 8.8196 k = 0.0000 0.0000 0.1507 ( 4728 PWs) bands (ev): -8.4550 -8.4550 -8.3787 -8.3787 -6.7070 -6.7070 -6.5779 -6.5779 -1.8211 -1.8211 -1.7025 -1.7025 0.7806 0.7806 0.9453 0.9453 1.0958 1.0958 1.2866 1.2866 2.6529 2.6529 2.7085 2.7085 2.7362 2.7362 2.7722 2.7722 3.8978 3.8978 4.0741 4.0741 4.1080 4.1080 4.2083 4.2083 5.6105 5.6105 5.7852 5.7852 8.3967 8.3967 8.4451 8.4451 8.5658 8.5658 8.7715 8.7715 k = 0.0000 0.0000 0.1623 ( 4736 PWs) bands (ev): -8.4369 -8.4369 -8.3986 -8.3986 -6.6740 -6.6740 -6.6092 -6.6092 -1.7936 -1.7936 -1.7341 -1.7341 0.8287 0.8287 0.9109 0.9109 1.1355 1.1355 1.2316 1.2316 2.6699 2.6699 2.7002 2.7002 2.7541 2.7541 2.7700 2.7700 3.9264 3.9264 4.0199 4.0199 4.1253 4.1253 4.1799 4.1799 5.6554 5.6554 5.7433 5.7433 8.4317 8.4317 8.4439 8.4439 8.6036 8.6036 8.7176 8.7176 k = 0.0000 0.0000 0.1739 ( 4744 PWs) bands (ev): -8.4181 -8.4181 -8.4181 -8.4181 -6.6413 -6.6413 -6.6413 -6.6413 -1.7646 -1.7646 -1.7646 -1.7646 0.8722 0.8722 0.8722 0.8722 1.1809 1.1809 1.1809 1.1809 2.6861 2.6861 2.6861 2.6861 2.7651 2.7651 2.7651 2.7651 3.9673 3.9673 3.9673 3.9673 4.1522 4.1522 4.1522 4.1522 5.6998 5.6998 5.6998 5.6998 8.4419 8.4419 8.4419 8.4419 8.6595 8.6595 8.6595 8.6595 k = 0.0000 0.0000 0.1739 ( 4744 PWs) bands (ev): -8.4181 -8.4181 -8.4181 -8.4181 -6.6413 -6.6413 -6.6413 -6.6413 -1.7646 -1.7646 -1.7646 -1.7646 0.8722 0.8722 0.8722 0.8722 1.1809 1.1809 1.1809 1.1809 2.6861 2.6861 2.6861 2.6861 2.7651 2.7651 2.7651 2.7651 3.9673 3.9673 3.9673 3.9673 4.1522 4.1522 4.1522 4.1522 5.6998 5.6998 5.6998 5.6998 8.4419 8.4419 8.4419 8.4419 8.6595 8.6595 8.6595 8.6595 k = 0.0114-0.0000 0.1739 ( 4740 PWs) bands (ev): -8.4171 -8.4171 -8.4170 -8.4170 -6.6408 -6.6408 -6.6406 -6.6406 -1.7660 -1.7660 -1.7656 -1.7656 0.8706 0.8706 0.8707 0.8707 1.1801 1.1801 1.1806 1.1806 2.6652 2.6652 2.6975 2.6975 2.7522 2.7522 2.7845 2.7845 3.9600 3.9600 3.9734 3.9734 4.1441 4.1441 4.1577 4.1577 5.7008 5.7008 5.7014 5.7014 8.4460 8.4460 8.4463 8.4463 8.6611 8.6611 8.6632 8.6632 k = 0.0227-0.0000 0.1739 ( 4732 PWs) bands (ev): -8.4140 -8.4140 -8.4138 -8.4138 -6.6391 -6.6391 -6.6386 -6.6386 -1.7698 -1.7698 -1.7691 -1.7691 0.8659 0.8659 0.8660 0.8660 1.1785 1.1785 1.1794 1.1794 2.6406 2.6406 2.6886 2.6886 2.7564 2.7564 2.8044 2.8044 3.9512 3.9512 3.9780 3.9780 4.1338 4.1338 4.1608 4.1608 5.7042 5.7042 5.7054 5.7054 8.4579 8.4579 8.4587 8.4587 8.6686 8.6686 8.6724 8.6724 k = 0.0341-0.0000 0.1739 ( 4720 PWs) bands (ev): -8.4088 -8.4088 -8.4085 -8.4085 -6.6362 -6.6362 -6.6355 -6.6355 -1.7760 -1.7760 -1.7749 -1.7749 0.8575 0.8575 0.8576 0.8576 1.1764 1.1764 1.1778 1.1778 2.6140 2.6140 2.6659 2.6659 2.7716 2.7716 2.8236 2.8236 3.9406 3.9406 3.9803 3.9803 4.1223 4.1223 4.1624 4.1624 5.7098 5.7098 5.7116 5.7116 8.4758 8.4758 8.4777 8.4777 8.6832 8.6832 8.6880 8.6880 k = 0.0455-0.0000 0.1739 ( 4708 PWs) bands (ev): -8.4015 -8.4015 -8.4012 -8.4012 -6.6322 -6.6322 -6.6311 -6.6311 -1.7846 -1.7846 -1.7832 -1.7832 0.8447 0.8447 0.8449 0.8449 1.1746 1.1746 1.1764 1.1764 2.5858 2.5858 2.6383 2.6383 2.7893 2.7893 2.8418 2.8418 3.9275 3.9275 3.9787 3.9787 4.1118 4.1118 4.1635 4.1635 5.7171 5.7171 5.7195 5.7195 8.4964 8.4964 8.5003 8.5003 8.7070 8.7070 8.7119 8.7119 k = 0.0568-0.0000 0.1739 ( 4712 PWs) bands (ev): -8.3921 -8.3921 -8.3917 -8.3917 -6.6269 -6.6269 -6.6256 -6.6256 -1.7956 -1.7956 -1.7939 -1.7939 0.8267 0.8267 0.8270 0.8270 1.1739 1.1739 1.1761 1.1761 2.5566 2.5566 2.6083 2.6083 2.8072 2.8072 2.8590 2.8590 3.9117 3.9117 3.9713 3.9713 4.1049 4.1049 4.1651 4.1651 5.7257 5.7257 5.7287 5.7287 8.5160 8.5160 8.5232 8.5232 8.7425 8.7425 8.7460 8.7460 k = 0.0682-0.0000 0.1739 ( 4706 PWs) bands (ev): -8.3807 -8.3807 -8.3802 -8.3802 -6.6205 -6.6205 -6.6190 -6.6190 -1.8091 -1.8091 -1.8070 -1.8070 0.8027 0.8027 0.8030 0.8030 1.1753 1.1753 1.1778 1.1778 2.5266 2.5266 2.5770 2.5770 2.8250 2.8250 2.8754 2.8754 3.8932 3.8932 3.9570 3.9570 4.1036 4.1036 4.1679 4.1679 5.7349 5.7349 5.7384 5.7384 8.5315 8.5315 8.5427 8.5427 8.7911 8.7911 8.7920 8.7920 k = 0.0795-0.0000 0.1739 ( 4714 PWs) bands (ev): -8.3672 -8.3672 -8.3666 -8.3666 -6.6131 -6.6131 -6.6113 -6.6113 -1.8250 -1.8250 -1.8226 -1.8226 0.7720 0.7720 0.7723 0.7723 1.1792 1.1792 1.1820 1.1820 2.4963 2.4963 2.5451 2.5451 2.8426 2.8426 2.8912 2.8912 3.8722 3.8722 3.9365 3.9365 4.1077 4.1077 4.1724 4.1724 5.7442 5.7442 5.7482 5.7482 8.5410 8.5410 8.5567 8.5567 8.8498 8.8498 8.8522 8.8522 k = 0.0909-0.0000 0.1739 ( 4716 PWs) bands (ev): -8.3517 -8.3517 -8.3510 -8.3510 -6.6046 -6.6046 -6.6026 -6.6026 -1.8434 -1.8434 -1.8406 -1.8406 0.7343 0.7343 0.7347 0.7347 1.1863 1.1863 1.1893 1.1893 2.4659 2.4659 2.5128 2.5128 2.8600 2.8600 2.9067 2.9067 3.8494 3.8494 3.9120 3.9120 4.1161 4.1161 4.1789 4.1789 5.7530 5.7530 5.7574 5.7574 8.5440 8.5440 8.5643 8.5643 8.9176 8.9176 8.9237 8.9237 k = 0.1023-0.0000 0.1739 ( 4718 PWs) bands (ev): -8.3341 -8.3341 -8.3334 -8.3334 -6.5952 -6.5952 -6.5929 -6.5929 -1.8642 -1.8642 -1.8611 -1.8611 0.6897 0.6897 0.6900 0.6900 1.1966 1.1966 1.1999 1.1999 2.4359 2.4359 2.4808 2.4808 2.8775 2.8775 2.9221 2.9221 3.8257 3.8257 3.8854 3.8854 4.1274 4.1274 4.1873 4.1873 5.7607 5.7607 5.7655 5.7655 8.5403 8.5403 8.5650 8.5650 8.9926 8.9926 9.0030 9.0030 k = 0.1136-0.0000 0.1739 ( 4720 PWs) bands (ev): -8.3145 -8.3145 -8.3137 -8.3137 -6.5848 -6.5848 -6.5823 -6.5823 -1.8874 -1.8874 -1.8839 -1.8839 0.6382 0.6382 0.6384 0.6384 1.2102 1.2102 1.2137 1.2137 2.4064 2.4064 2.4493 2.4493 2.8951 2.8951 2.9376 2.9376 3.8018 3.8018 3.8583 3.8583 4.1408 4.1408 4.1973 4.1973 5.7668 5.7668 5.7719 5.7719 8.5293 8.5293 8.5582 8.5582 9.0714 9.0714 9.0867 9.0867 k = 0.1250-0.0000 0.1739 ( 4726 PWs) bands (ev): -8.2929 -8.2929 -8.2920 -8.2920 -6.5737 -6.5737 -6.5709 -6.5709 -1.9129 -1.9129 -1.9092 -1.9092 0.5802 0.5802 0.5803 0.5803 1.2269 1.2269 1.2306 1.2306 2.3779 2.3779 2.4187 2.4187 2.9132 2.9132 2.9535 2.9535 3.7786 3.7786 3.8319 3.8319 4.1556 4.1556 4.2087 4.2087 5.7709 5.7709 5.7763 5.7763 8.5106 8.5106 8.5434 8.5434 9.1501 9.1501 9.1711 9.1711 k = 0.1364-0.0000 0.1739 ( 4718 PWs) bands (ev): -8.2693 -8.2693 -8.2684 -8.2684 -6.5618 -6.5618 -6.5588 -6.5588 -1.9408 -1.9408 -1.9367 -1.9367 0.5162 0.5162 0.5162 0.5162 1.2466 1.2466 1.2506 1.2506 2.3505 2.3505 2.3892 2.3892 2.9317 2.9317 2.9699 2.9699 3.7567 3.7567 3.8070 3.8070 4.1714 4.1714 4.2212 4.2212 5.7727 5.7727 5.7782 5.7782 8.4834 8.4834 8.5198 8.5198 9.2234 9.2234 9.2517 9.2517 k = 0.1477-0.0000 0.1739 ( 4718 PWs) bands (ev): -8.2438 -8.2438 -8.2428 -8.2428 -6.5494 -6.5494 -6.5462 -6.5462 -1.9708 -1.9708 -1.9664 -1.9664 0.4465 0.4465 0.4467 0.4467 1.2691 1.2691 1.2733 1.2733 2.3246 2.3246 2.3613 2.3613 2.9509 2.9509 2.9871 2.9871 3.7367 3.7367 3.7842 3.7842 4.1877 4.1877 4.2346 4.2346 5.7717 5.7717 5.7773 5.7773 8.4476 8.4476 8.4869 8.4869 9.2844 9.2844 9.3218 9.3218 k = 0.1591-0.0000 0.1739 ( 4722 PWs) bands (ev): -8.2163 -8.2163 -8.2153 -8.2153 -6.5364 -6.5364 -6.5330 -6.5330 -2.0028 -2.0028 -1.9982 -1.9982 0.3716 0.3716 0.3721 0.3721 1.2943 1.2943 1.2987 1.2987 2.3004 2.3004 2.3352 2.3352 2.9709 2.9709 3.0051 3.0051 3.7190 3.7190 3.7639 3.7639 4.2044 4.2044 4.2486 4.2486 5.7678 5.7678 5.7733 5.7733 8.4032 8.4032 8.4450 8.4450 9.3215 9.3215 9.3702 9.3702 k = 0.1705-0.0000 0.1739 ( 4718 PWs) bands (ev): -8.1870 -8.1870 -8.1858 -8.1858 -6.5231 -6.5231 -6.5195 -6.5195 -2.0368 -2.0368 -2.0318 -2.0318 0.2922 0.2922 0.2929 0.2929 1.3219 1.3219 1.3266 1.3266 2.2782 2.2782 2.3112 2.3112 2.9917 2.9917 3.0241 3.0241 3.7038 3.7038 3.7463 3.7463 4.2212 4.2212 4.2629 4.2629 5.7607 5.7607 5.7660 5.7660 8.3510 8.3510 8.3945 8.3945 9.3232 9.3232 9.3750 9.3750 k = 0.1818-0.0000 0.1739 ( 4732 PWs) bands (ev): -8.1557 -8.1557 -8.1545 -8.1545 -6.5095 -6.5095 -6.5057 -6.5057 -2.0724 -2.0724 -2.0672 -2.0672 0.2087 0.2087 0.2096 0.2096 1.3520 1.3520 1.3569 1.3569 2.2583 2.2583 2.2895 2.2895 3.0136 3.0136 3.0442 3.0442 3.6912 3.6912 3.7315 3.7315 4.2379 4.2379 4.2773 4.2773 5.7502 5.7502 5.7552 5.7552 8.2922 8.2922 8.3368 8.3368 9.2974 9.2974 9.3467 9.3467 k = 0.1932-0.0000 0.1739 ( 4744 PWs) bands (ev): -8.1227 -8.1227 -8.1214 -8.1214 -6.4959 -6.4959 -6.4920 -6.4920 -2.1094 -2.1094 -2.1040 -2.1040 0.1216 0.1216 0.1227 0.1227 1.3843 1.3843 1.3895 1.3895 2.2408 2.2408 2.2703 2.2703 3.0365 3.0365 3.0655 3.0655 3.6813 3.6813 3.7194 3.7194 4.2542 4.2542 4.2916 4.2916 5.7362 5.7362 5.7408 5.7408 8.2282 8.2282 8.2734 8.2734 9.2591 9.2591 9.3076 9.3076 k = 0.2045-0.0000 0.1739 ( 4744 PWs) bands (ev): -8.0878 -8.0878 -8.0865 -8.0865 -6.4824 -6.4824 -6.4783 -6.4783 -2.1476 -2.1476 -2.1419 -2.1419 0.0313 0.0313 0.0326 0.0326 1.4187 1.4187 1.4242 1.4242 2.2259 2.2259 2.2540 2.2540 3.0604 3.0604 3.0880 3.0880 3.6738 3.6738 3.7099 3.7099 4.2700 4.2700 4.3055 4.3055 5.7185 5.7185 5.7226 5.7226 8.1609 8.1609 8.2064 8.2064 9.2132 9.2132 9.2609 9.2609 k = 0.2159-0.0000 0.1739 ( 4732 PWs) bands (ev): -8.0512 -8.0512 -8.0498 -8.0498 -6.4692 -6.4692 -6.4649 -6.4649 -2.1866 -2.1866 -2.1808 -2.1808 -0.0617 -0.0617 -0.0602 -0.0602 1.4552 1.4552 1.4610 1.4610 2.2140 2.2140 2.2406 2.2406 3.0855 3.0855 3.1118 3.1118 3.6686 3.6686 3.7029 3.7029 4.2850 4.2850 4.3189 4.3189 5.6972 5.6972 5.7005 5.7005 8.0918 8.0918 8.1375 8.1375 9.1605 9.1605 9.2060 9.2060 k = 0.2273-0.0000 0.1739 ( 4736 PWs) bands (ev): -8.0128 -8.0128 -8.0115 -8.0115 -6.4564 -6.4564 -6.4520 -6.4520 -2.2260 -2.2260 -2.2201 -2.2201 -0.1570 -0.1570 -0.1553 -0.1553 1.4936 1.4936 1.4998 1.4998 2.2050 2.2050 2.2303 2.2303 3.1116 3.1116 3.1368 3.1368 3.6655 3.6655 3.6979 3.6979 4.2991 4.2991 4.3314 4.3314 5.6721 5.6721 5.6746 5.6746 8.0227 8.0227 8.0684 8.0684 9.1014 9.1014 9.1435 9.1435 k = 0.2386-0.0000 0.1739 ( 4744 PWs) bands (ev): -7.9728 -7.9728 -7.9715 -7.9715 -6.4444 -6.4444 -6.4399 -6.4399 -2.2656 -2.2656 -2.2595 -2.2595 -0.2543 -0.2543 -0.2523 -0.2523 1.5339 1.5339 1.5404 1.5404 2.1993 2.1993 2.2233 2.2233 3.1388 3.1388 3.1629 3.1629 3.6642 3.6642 3.6947 3.6947 4.3120 4.3120 4.3428 4.3428 5.6432 5.6432 5.6448 5.6448 7.9549 7.9549 8.0008 8.0008 9.0367 9.0367 9.0749 9.0749 k = 0.2500-0.0000 0.1739 ( 4752 PWs) bands (ev): -7.9313 -7.9313 -7.9299 -7.9299 -6.4332 -6.4332 -6.4287 -6.4287 -2.3048 -2.3048 -2.2986 -2.2986 -0.3530 -0.3530 -0.3509 -0.3509 1.5760 1.5760 1.5828 1.5828 2.1967 2.1967 2.2196 2.2196 3.1668 3.1668 3.1900 3.1900 3.6644 3.6644 3.6930 3.6930 4.3236 4.3236 4.3531 4.3531 5.6107 5.6107 5.6112 5.6112 7.8897 7.8897 7.9358 7.9358 8.9680 8.9680 9.0021 9.0021 k = 0.2614-0.0000 0.1739 ( 4748 PWs) bands (ev): -7.8881 -7.8881 -7.8867 -7.8867 -6.4232 -6.4232 -6.4186 -6.4186 -2.3433 -2.3433 -2.3370 -2.3370 -0.4529 -0.4529 -0.4507 -0.4507 1.6198 1.6198 1.6268 1.6268 2.1974 2.1974 2.2193 2.2193 3.1957 3.1957 3.2181 3.2181 3.6656 3.6656 3.6924 3.6924 4.3338 4.3338 4.3619 4.3619 5.5739 5.5739 5.5746 5.5746 7.8282 7.8282 7.8748 7.8748 8.8965 8.8965 8.9268 8.9268 k = 0.2727-0.0000 0.1739 ( 4756 PWs) bands (ev): -7.8435 -7.8435 -7.8421 -7.8421 -6.4146 -6.4146 -6.4100 -6.4100 -2.3805 -2.3805 -2.3742 -2.3742 -0.5536 -0.5536 -0.5513 -0.5513 1.6651 1.6651 1.6725 1.6725 2.2014 2.2014 2.2222 2.2222 3.2252 3.2252 3.2468 3.2468 3.6677 3.6677 3.6925 3.6925 4.3423 4.3423 4.3692 4.3692 5.5330 5.5330 5.5351 5.5351 7.7714 7.7714 7.8186 7.8186 8.8237 8.8237 8.8505 8.8505 k = 0.2841-0.0000 0.1739 ( 4750 PWs) bands (ev): -7.7975 -7.7975 -7.7960 -7.7960 -6.4077 -6.4077 -6.4030 -6.4030 -2.4160 -2.4160 -2.4098 -2.4098 -0.6547 -0.6547 -0.6523 -0.6523 1.7119 1.7119 1.7196 1.7196 2.2085 2.2085 2.2284 2.2284 3.2552 3.2552 3.2761 3.2761 3.6701 3.6701 3.6931 3.6931 4.3490 4.3490 4.3748 4.3748 5.4889 5.4889 5.4924 5.4924 7.7201 7.7201 7.7680 7.7680 8.7506 8.7506 8.7743 8.7743 k = 0.2955-0.0000 0.1739 ( 4754 PWs) bands (ev): -7.7501 -7.7501 -7.7487 -7.7487 -6.4026 -6.4026 -6.3979 -6.3979 -2.4494 -2.4494 -2.4432 -2.4432 -0.7560 -0.7560 -0.7536 -0.7536 1.7600 1.7600 1.7680 1.7680 2.2188 2.2188 2.2378 2.2378 3.2853 3.2853 3.3057 3.3057 3.6726 3.6726 3.6936 3.6936 4.3541 4.3541 4.3787 4.3787 5.4418 5.4418 5.4468 5.4468 7.6748 7.6748 7.7236 7.7236 8.6782 8.6782 8.6991 8.6991 k = 0.3068-0.0000 0.1739 ( 4758 PWs) bands (ev): -7.7015 -7.7015 -7.7001 -7.7001 -6.3996 -6.3996 -6.3950 -6.3950 -2.4801 -2.4801 -2.4740 -2.4740 -0.8572 -0.8572 -0.8547 -0.8547 1.8093 1.8093 1.8176 1.8176 2.2320 2.2320 2.2502 2.2502 3.3153 3.3153 3.3351 3.3351 3.6749 3.6749 3.6938 3.6938 4.3575 4.3575 4.3810 4.3810 5.3921 5.3921 5.3986 5.3986 7.6362 7.6362 7.6859 7.6859 8.6072 8.6072 8.6257 8.6257 k = 0.3182-0.0000 0.1739 ( 4766 PWs) bands (ev): -7.6517 -7.6517 -7.6503 -7.6503 -6.3991 -6.3991 -6.3945 -6.3945 -2.5077 -2.5077 -2.5017 -2.5017 -0.9579 -0.9579 -0.9553 -0.9553 1.8596 1.8596 1.8683 1.8683 2.2481 2.2481 2.2653 2.2653 3.3449 3.3449 3.3641 3.3641 3.6766 3.6766 3.6934 3.6934 4.3594 4.3594 4.3817 4.3817 5.3401 5.3401 5.3483 5.3483 7.6044 7.6044 7.6552 7.6552 8.5385 8.5385 8.5547 8.5547 k = 0.3295-0.0000 0.1739 ( 4760 PWs) bands (ev): -7.6008 -7.6008 -7.5995 -7.5995 -6.4011 -6.4011 -6.3966 -6.3966 -2.5317 -2.5317 -2.5259 -2.5259 -1.0578 -1.0578 -1.0552 -1.0552 1.9108 1.9108 1.9198 1.9198 2.2666 2.2666 2.2830 2.2830 3.3736 3.3736 3.3921 3.3921 3.6774 3.6774 3.6920 3.6920 4.3599 4.3599 4.3810 4.3810 5.2865 5.2865 5.2962 5.2962 7.5799 7.5799 7.6318 7.6318 8.4725 8.4725 8.4865 8.4865 k = 0.3409-0.0000 0.1739 ( 4752 PWs) bands (ev): -7.5490 -7.5490 -7.5477 -7.5477 -6.4059 -6.4059 -6.4016 -6.4016 -2.5518 -2.5518 -2.5462 -2.5462 -1.1567 -1.1567 -1.1542 -1.1542 1.9627 1.9627 1.9719 1.9719 2.2875 2.2875 2.3030 2.3030 3.4010 3.4010 3.4188 3.4188 3.6770 3.6770 3.6895 3.6895 4.3596 4.3596 4.3794 4.3794 5.2316 5.2316 5.2428 5.2428 7.5626 7.5626 7.6156 7.6156 8.4097 8.4097 8.4217 8.4217 k = 0.3523-0.0000 0.1739 ( 4744 PWs) bands (ev): -7.4963 -7.4963 -7.4951 -7.4951 -6.4138 -6.4138 -6.4096 -6.4096 -2.5675 -2.5675 -2.5621 -2.5621 -1.2543 -1.2543 -1.2518 -1.2518 2.0150 2.0150 2.0245 2.0245 2.3104 2.3104 2.3250 2.3250 3.4267 3.4267 3.4435 3.4435 3.6753 3.6753 3.6856 3.6856 4.3588 4.3588 4.3772 4.3772 5.1760 5.1760 5.1886 5.1886 7.5524 7.5524 7.6065 7.6065 8.3504 8.3504 8.3604 8.3604 k = 0.3636-0.0000 0.1739 ( 4742 PWs) bands (ev): -7.4429 -7.4429 -7.4417 -7.4417 -6.4248 -6.4248 -6.4208 -6.4208 -2.5785 -2.5785 -2.5734 -2.5734 -1.3503 -1.3503 -1.3479 -1.3479 2.0674 2.0674 2.0772 2.0772 2.3349 2.3349 2.3485 2.3485 3.4500 3.4500 3.4657 3.4657 3.6721 3.6721 3.6803 3.6803 4.3582 4.3582 4.3750 4.3750 5.1201 5.1201 5.1341 5.1341 7.5492 7.5492 7.6044 7.6044 8.2951 8.2951 8.3031 8.3031 k = 0.3750-0.0000 0.1739 ( 4738 PWs) bands (ev): -7.3889 -7.3889 -7.3878 -7.3878 -6.4390 -6.4390 -6.4352 -6.4352 -2.5845 -2.5845 -2.5797 -2.5797 -1.4445 -1.4445 -1.4422 -1.4422 2.1198 2.1198 2.1297 2.1297 2.3606 2.3606 2.3732 2.3732 3.4705 3.4705 3.4848 3.4848 3.6672 3.6672 3.6733 3.6733 4.3585 4.3585 4.3735 4.3735 5.0646 5.0646 5.0797 5.0797 7.5528 7.5528 7.6088 7.6088 8.2438 8.2438 8.2497 8.2497 k = 0.3864-0.0000 0.1739 ( 4738 PWs) bands (ev): -7.3344 -7.3344 -7.3335 -7.3335 -6.4566 -6.4566 -6.4531 -6.4531 -2.5853 -2.5853 -2.5808 -2.5808 -1.5366 -1.5366 -1.5345 -1.5345 2.1716 2.1716 2.1816 2.1816 2.3871 2.3871 2.3985 2.3985 3.4877 3.4877 3.5004 3.5004 3.6605 3.6605 3.6647 3.6647 4.3604 4.3604 4.3735 4.3735 5.0098 5.0098 5.0258 5.0258 7.5626 7.5626 7.6195 7.6195 8.1968 8.1968 8.2005 8.2005 k = 0.3977-0.0000 0.1739 ( 4738 PWs) bands (ev): -7.2797 -7.2797 -7.2788 -7.2788 -6.4776 -6.4776 -6.4743 -6.4743 -2.5806 -2.5806 -2.5765 -2.5765 -1.6264 -1.6264 -1.6245 -1.6245 2.2224 2.2224 2.2326 2.2326 2.4138 2.4138 2.4240 2.4240 3.5014 3.5014 3.5121 3.5121 3.6521 3.6521 3.6545 3.6545 4.3648 4.3648 4.3756 4.3756 4.9561 4.9561 4.9728 4.9728 7.5783 7.5783 7.6358 7.6358 8.1541 8.1541 8.1553 8.1553 k = 0.4091-0.0000 0.1739 ( 4736 PWs) bands (ev): -7.2248 -7.2248 -7.2240 -7.2240 -6.5020 -6.5020 -6.4990 -6.4990 -2.5704 -2.5704 -2.5667 -2.5667 -1.7136 -1.7136 -1.7119 -1.7119 2.2719 2.2719 2.2821 2.2821 2.4401 2.4401 2.4490 2.4490 3.5115 3.5115 3.5199 3.5199 3.6420 3.6420 3.6427 3.6427 4.3723 4.3723 4.3806 4.3806 4.9037 4.9037 4.9211 4.9211 7.5991 7.5991 7.6570 7.6570 8.1140 8.1140 8.1156 8.1156 k = 0.4205-0.0000 0.1739 ( 4738 PWs) bands (ev): -7.1699 -7.1699 -7.1693 -7.1693 -6.5297 -6.5297 -6.5269 -6.5269 -2.5546 -2.5546 -2.5513 -2.5513 -1.7980 -1.7980 -1.7965 -1.7965 2.3193 2.3193 2.3294 2.3294 2.4653 2.4653 2.4728 2.4728 3.5183 3.5183 3.5242 3.5242 3.6295 3.6295 3.6303 3.6303 4.3835 4.3835 4.3892 4.3892 4.8531 4.8531 4.8707 4.8707 7.6245 7.6245 7.6823 7.6823 8.0762 8.0762 8.0810 8.0810 k = 0.4318-0.0000 0.1739 ( 4724 PWs) bands (ev): -7.1153 -7.1153 -7.1148 -7.1148 -6.5606 -6.5606 -6.5581 -6.5581 -2.5331 -2.5331 -2.5302 -2.5302 -1.8793 -1.8793 -1.8780 -1.8780 2.3641 2.3641 2.3740 2.3740 2.4887 2.4887 2.4946 2.4946 3.5223 3.5223 3.5257 3.5257 3.6151 3.6151 3.6172 3.6172 4.3986 4.3986 4.4015 4.4015 4.8043 4.8043 4.8218 4.8218 7.6536 7.6536 7.7109 7.7109 8.0415 8.0415 8.0500 8.0500 k = 0.4432-0.0000 0.1739 ( 4720 PWs) bands (ev): -7.0610 -7.0610 -7.0608 -7.0608 -6.5947 -6.5947 -6.5925 -6.5925 -2.5060 -2.5060 -2.5035 -2.5035 -1.9574 -1.9574 -1.9563 -1.9563 2.4056 2.4056 2.4151 2.4151 2.5094 2.5094 2.5136 2.5136 3.5244 3.5244 3.5254 3.5254 3.5998 3.5998 3.6031 3.6031 4.4177 4.4177 4.4179 4.4179 4.7574 4.7574 4.7746 4.7746 7.6856 7.6856 7.7417 7.7417 8.0093 8.0093 8.0218 8.0218 k = 0.4545-0.0000 0.1739 ( 4712 PWs) bands (ev): -7.0075 -7.0075 -7.0074 -7.0074 -6.6316 -6.6316 -6.6297 -6.6297 -2.4733 -2.4733 -2.4712 -2.4712 -2.0318 -2.0318 -2.0310 -2.0310 2.4429 2.4429 2.4519 2.4519 2.5265 2.5265 2.5289 2.5289 3.5243 3.5243 3.5255 3.5255 3.5843 3.5843 3.5886 3.5886 4.4382 4.4382 4.4408 4.4408 4.7125 4.7125 4.7291 4.7291 7.7195 7.7195 7.7738 7.7738 7.9787 7.9787 7.9959 7.9959 k = 0.4659-0.0000 0.1739 ( 4712 PWs) bands (ev): -6.9549 -6.9549 -6.9547 -6.9547 -6.6714 -6.6714 -6.6697 -6.6697 -2.4352 -2.4352 -2.4335 -2.4335 -2.1025 -2.1025 -2.1020 -2.1020 2.4754 2.4754 2.4836 2.4836 2.5391 2.5391 2.5397 2.5397 3.5238 3.5238 3.5268 3.5268 3.5691 3.5691 3.5743 3.5743 4.4624 4.4624 4.4675 4.4675 4.6696 4.6696 4.6854 4.6854 7.7543 7.7543 7.8059 7.8059 7.9489 7.9489 7.9711 7.9711 k = 0.4773-0.0000 0.1739 ( 4712 PWs) bands (ev): -6.9035 -6.9035 -6.9031 -6.9031 -6.7136 -6.7136 -6.7123 -6.7123 -2.3918 -2.3918 -2.3905 -2.3905 -2.1691 -2.1691 -2.1689 -2.1689 2.5023 2.5023 2.5095 2.5095 2.5450 2.5450 2.5462 2.5462 3.5248 3.5248 3.5293 3.5293 3.5553 3.5553 3.5611 3.5611 4.4900 4.4900 4.4974 4.4974 4.6289 4.6289 4.6436 4.6436 7.7893 7.7893 7.8373 7.8373 7.9191 7.9191 7.9467 7.9467 k = 0.4886-0.0000 0.1739 ( 4704 PWs) bands (ev): -6.8534 -6.8534 -6.8528 -6.8528 -6.7582 -6.7582 -6.7571 -6.7571 -2.3432 -2.3432 -2.3423 -2.3423 -2.2316 -2.2316 -2.2314 -2.2314 2.5229 2.5229 2.5289 2.5289 2.5443 2.5443 2.5472 2.5472 3.5281 3.5281 3.5336 3.5336 3.5435 3.5435 3.5496 3.5496 4.5207 4.5207 4.5303 4.5303 4.5904 4.5904 4.6037 4.6037 7.8236 7.8236 7.8671 7.8671 7.8886 7.8886 7.9216 7.9216 k = 0.5000-0.0000 0.1739 ( 4708 PWs) bands (ev): -6.8049 -6.8049 -6.8049 -6.8049 -6.8041 -6.8041 -6.8041 -6.8041 -2.2898 -2.2898 -2.2898 -2.2898 -2.2892 -2.2892 -2.2892 -2.2892 2.5370 2.5370 2.5370 2.5370 2.5415 2.5415 2.5415 2.5415 3.5343 3.5343 3.5343 3.5343 3.5403 3.5403 3.5403 3.5403 4.5543 4.5543 4.5543 4.5543 4.5658 4.5658 4.5658 4.5658 7.8568 7.8568 7.8568 7.8568 7.8952 7.8952 7.8952 7.8952 k = 0.5000-0.0000 0.1739 ( 4708 PWs) bands (ev): -6.8049 -6.8049 -6.8049 -6.8049 -6.8041 -6.8041 -6.8041 -6.8041 -2.2898 -2.2898 -2.2898 -2.2898 -2.2892 -2.2892 -2.2892 -2.2892 2.5370 2.5370 2.5370 2.5370 2.5415 2.5415 2.5415 2.5415 3.5343 3.5343 3.5343 3.5343 3.5403 3.5403 3.5403 3.5403 4.5543 4.5543 4.5543 4.5543 4.5658 4.5658 4.5658 4.5658 7.8568 7.8568 7.8568 7.8568 7.8952 7.8952 7.8952 7.8952 k = 0.5000 0.0115 0.1739 ( 4712 PWs) bands (ev): -6.8046 -6.8046 -6.8044 -6.8044 -6.8038 -6.8038 -6.8036 -6.8036 -2.2893 -2.2893 -2.2891 -2.2891 -2.2888 -2.2888 -2.2886 -2.2886 2.5319 2.5319 2.5331 2.5331 2.5351 2.5351 2.5391 2.5391 3.5316 3.5316 3.5324 3.5324 3.5355 3.5355 3.5403 3.5403 4.5527 4.5527 4.5576 4.5576 4.5655 4.5655 4.5676 4.5676 7.8521 7.8521 7.8578 7.8578 7.8921 7.8921 7.8930 7.8930 k = 0.5000 0.0229 0.1739 ( 4728 PWs) bands (ev): -6.8035 -6.8035 -6.8032 -6.8032 -6.8027 -6.8027 -6.8023 -6.8023 -2.2878 -2.2878 -2.2874 -2.2874 -2.2872 -2.2872 -2.2869 -2.2869 2.5180 2.5180 2.5200 2.5200 2.5205 2.5205 2.5278 2.5278 3.5243 3.5243 3.5259 3.5259 3.5260 3.5260 3.5356 3.5356 4.5528 4.5528 4.5624 4.5624 4.5664 4.5664 4.5706 4.5706 7.8450 7.8450 7.8558 7.8558 7.8849 7.8849 7.8866 7.8866 k = 0.5000 0.0344 0.1739 ( 4728 PWs) bands (ev): -6.8017 -6.8017 -6.8012 -6.8012 -6.8009 -6.8009 -6.8003 -6.8003 -2.2851 -2.2851 -2.2846 -2.2846 -2.2845 -2.2845 -2.2840 -2.2840 2.4958 2.4958 2.4966 2.4966 2.4994 2.4994 2.5079 2.5079 3.5120 3.5120 3.5128 3.5128 3.5148 3.5148 3.5261 3.5261 4.5541 4.5541 4.5681 4.5681 4.5682 4.5682 4.5744 4.5744 7.8379 7.8379 7.8534 7.8534 7.8767 7.8767 7.8792 7.8792 k = 0.5000 0.0458 0.1739 ( 4728 PWs) bands (ev): -6.7992 -6.7992 -6.7985 -6.7985 -6.7984 -6.7984 -6.7976 -6.7976 -2.2814 -2.2814 -2.2809 -2.2809 -2.2806 -2.2806 -2.2801 -2.2801 2.4654 2.4654 2.4656 2.4656 2.4704 2.4704 2.4800 2.4800 3.4938 3.4938 3.4971 3.4971 3.4993 3.4993 3.5122 3.5122 4.5560 4.5560 4.5700 4.5700 4.5743 4.5743 4.5784 4.5784 7.8342 7.8342 7.8535 7.8535 7.8712 7.8712 7.8745 7.8745 k = 0.5000 0.0573 0.1739 ( 4728 PWs) bands (ev): -6.7959 -6.7959 -6.7951 -6.7951 -6.7950 -6.7950 -6.7941 -6.7941 -2.2767 -2.2767 -2.2762 -2.2762 -2.2757 -2.2757 -2.2752 -2.2752 2.4272 2.4272 2.4282 2.4282 2.4340 2.4340 2.4446 2.4446 3.4717 3.4717 3.4776 3.4776 3.4795 3.4795 3.4940 3.4940 4.5579 4.5579 4.5714 4.5714 4.5799 4.5799 4.5821 4.5821 7.8366 7.8366 7.8593 7.8593 7.8716 7.8716 7.8757 7.8757 k = 0.5000 0.0688 0.1739 ( 4728 PWs) bands (ev): -6.7919 -6.7919 -6.7911 -6.7911 -6.7908 -6.7908 -6.7899 -6.7899 -2.2709 -2.2709 -2.2704 -2.2704 -2.2697 -2.2697 -2.2693 -2.2693 2.3827 2.3827 2.3843 2.3843 2.3912 2.3912 2.4027 2.4027 3.4458 3.4458 3.4544 3.4544 3.4557 3.4557 3.4718 3.4718 4.5589 4.5589 4.5718 4.5718 4.5845 4.5845 4.5846 4.5846 7.8474 7.8474 7.8731 7.8731 7.8804 7.8804 7.8854 7.8854 k = 0.5000 0.0802 0.1739 ( 4736 PWs) bands (ev): -6.7872 -6.7872 -6.7865 -6.7865 -6.7859 -6.7859 -6.7850 -6.7850 -2.2641 -2.2641 -2.2637 -2.2637 -2.2627 -2.2627 -2.2623 -2.2623 2.3329 2.3329 2.3350 2.3350 2.3428 2.3428 2.3550 2.3550 3.4163 3.4163 3.4275 3.4275 3.4278 3.4278 3.4456 3.4456 4.5588 4.5588 4.5707 4.5707 4.5858 4.5858 4.5874 4.5874 7.8681 7.8681 7.8965 7.8965 7.8992 7.8992 7.9050 7.9050 k = 0.5000 0.0917 0.1739 ( 4732 PWs) bands (ev): -6.7818 -6.7818 -6.7811 -6.7811 -6.7804 -6.7804 -6.7795 -6.7795 -2.2565 -2.2565 -2.2561 -2.2561 -2.2549 -2.2549 -2.2545 -2.2545 2.2787 2.2787 2.2812 2.2812 2.2898 2.2898 2.3025 2.3025 3.3832 3.3832 3.3959 3.3959 3.3968 3.3968 3.4154 3.4154 4.5571 4.5571 4.5680 4.5680 4.5853 4.5853 4.5885 4.5885 7.8994 7.8994 7.9290 7.9290 7.9304 7.9304 7.9357 7.9357 k = 0.5000 0.1031 0.1739 ( 4728 PWs) bands (ev): -6.7758 -6.7758 -6.7752 -6.7752 -6.7742 -6.7742 -6.7734 -6.7734 -2.2479 -2.2479 -2.2475 -2.2475 -2.2461 -2.2461 -2.2458 -2.2458 2.2211 2.2211 2.2236 2.2236 2.2330 2.2330 2.2463 2.2463 3.3463 3.3463 3.3600 3.3600 3.3624 3.3624 3.3813 3.3813 4.5540 4.5540 4.5637 4.5637 4.5831 4.5831 4.5877 4.5877 7.9417 7.9417 7.9699 7.9699 7.9753 7.9753 7.9776 7.9776 k = 0.5000 0.1146 0.1739 ( 4732 PWs) bands (ev): -6.7693 -6.7693 -6.7686 -6.7686 -6.7675 -6.7675 -6.7666 -6.7666 -2.2385 -2.2385 -2.2382 -2.2382 -2.2365 -2.2365 -2.2362 -2.2362 2.1608 2.1608 2.1634 2.1634 2.1734 2.1734 2.1871 2.1871 3.3057 3.3057 3.3200 3.3200 3.3240 3.3240 3.3430 3.3430 4.5496 4.5496 4.5581 4.5581 4.5795 4.5795 4.5852 4.5852 7.9945 7.9945 8.0218 8.0218 8.0305 8.0305 8.0309 8.0309 k = 0.5000 0.1261 0.1739 ( 4728 PWs) bands (ev): -6.7621 -6.7621 -6.7615 -6.7615 -6.7602 -6.7602 -6.7593 -6.7593 -2.2283 -2.2283 -2.2281 -2.2281 -2.2262 -2.2262 -2.2259 -2.2259 2.0987 2.0987 2.1013 2.1013 2.1119 2.1119 2.1259 2.1259 3.2613 3.2613 3.2758 3.2758 3.2817 3.2817 3.3007 3.3007 4.5442 4.5442 4.5516 4.5516 4.5749 4.5749 4.5814 4.5814 8.0574 8.0574 8.0840 8.0840 8.0938 8.0938 8.0966 8.0966 k = 0.5000 0.1375 0.1739 ( 4736 PWs) bands (ev): -6.7545 -6.7545 -6.7539 -6.7539 -6.7524 -6.7524 -6.7515 -6.7515 -2.2175 -2.2175 -2.2173 -2.2173 -2.2152 -2.2152 -2.2150 -2.2150 2.0356 2.0356 2.0381 2.0381 2.0492 2.0492 2.0635 2.0635 3.2131 3.2131 3.2276 3.2276 3.2352 3.2352 3.2542 3.2542 4.5383 4.5383 4.5447 4.5447 4.5697 4.5697 4.5768 4.5768 8.1293 8.1293 8.1555 8.1555 8.1667 8.1667 8.1716 8.1716 k = 0.5000 0.1490 0.1739 ( 4736 PWs) bands (ev): -6.7464 -6.7464 -6.7459 -6.7459 -6.7441 -6.7441 -6.7433 -6.7433 -2.2061 -2.2061 -2.2059 -2.2059 -2.2035 -2.2035 -2.2034 -2.2034 1.9723 1.9723 1.9746 1.9746 1.9861 1.9861 2.0007 2.0007 3.1611 3.1611 3.1754 3.1754 3.1847 3.1847 3.2036 3.2036 4.5325 4.5325 4.5379 4.5379 4.5644 4.5644 4.5719 4.5719 8.2090 8.2090 8.2351 8.2351 8.2478 8.2478 8.2547 8.2547 k = 0.5000 0.1605 0.1739 ( 4736 PWs) bands (ev): -6.7379 -6.7379 -6.7374 -6.7374 -6.7354 -6.7354 -6.7346 -6.7346 -2.1941 -2.1941 -2.1940 -2.1940 -2.1914 -2.1914 -2.1913 -2.1913 1.9093 1.9093 1.9115 1.9115 1.9234 1.9234 1.9381 1.9381 3.1055 3.1055 3.1195 3.1195 3.1304 3.1304 3.1491 3.1491 4.5271 4.5271 4.5316 4.5316 4.5594 4.5594 4.5671 4.5671 8.2949 8.2949 8.3213 8.3213 8.3357 8.3357 8.3445 8.3445 k = 0.5000 0.1719 0.1739 ( 4740 PWs) bands (ev): -6.7290 -6.7290 -6.7286 -6.7286 -6.7264 -6.7264 -6.7256 -6.7256 -2.1817 -2.1817 -2.1817 -2.1817 -2.1788 -2.1788 -2.1788 -2.1788 1.8474 1.8474 1.8493 1.8493 1.8615 1.8615 1.8764 1.8764 3.0464 3.0464 3.0599 3.0599 3.0724 3.0724 3.0910 3.0910 4.5226 4.5226 4.5262 4.5262 4.5551 4.5551 4.5629 4.5629 8.3852 8.3852 8.4122 8.4122 8.4286 8.4286 8.4391 8.4391 k = 0.5000 0.1834 0.1739 ( 4740 PWs) bands (ev): -6.7199 -6.7199 -6.7194 -6.7194 -6.7171 -6.7171 -6.7163 -6.7163 -2.1690 -2.1690 -2.1690 -2.1690 -2.1659 -2.1659 -2.1659 -2.1659 1.7869 1.7869 1.7887 1.7887 1.8010 1.8010 1.8161 1.8161 2.9843 2.9843 2.9972 2.9972 3.0111 3.0111 3.0295 3.0295 4.5191 4.5191 4.5220 4.5220 4.5519 4.5519 4.5595 4.5595 8.4778 8.4778 8.5057 8.5057 8.5247 8.5247 8.5367 8.5367 k = 0.5000 0.1948 0.1739 ( 4744 PWs) bands (ev): -6.7105 -6.7105 -6.7101 -6.7101 -6.7076 -6.7076 -6.7068 -6.7068 -2.1561 -2.1561 -2.1560 -2.1560 -2.1528 -2.1528 -2.1528 -2.1528 1.7285 1.7285 1.7301 1.7301 1.7426 1.7426 1.7577 1.7577 2.9195 2.9195 2.9318 2.9318 2.9469 2.9469 2.9652 2.9652 4.5170 4.5170 4.5192 4.5192 4.5498 4.5498 4.5572 4.5572 8.5703 8.5703 8.5992 8.5992 8.6212 8.6212 8.6347 8.6347 k = 0.5000 0.2063 0.1739 ( 4748 PWs) bands (ev): -6.7010 -6.7010 -6.7005 -6.7005 -6.6978 -6.6978 -6.6971 -6.6971 -2.1431 -2.1431 -2.1429 -2.1429 -2.1396 -2.1396 -2.1395 -2.1395 1.6725 1.6725 1.6739 1.6739 1.6865 1.6865 1.7018 1.7018 2.8525 2.8525 2.8640 2.8640 2.8803 2.8803 2.8984 2.8984 4.5162 4.5162 4.5179 4.5179 4.5490 4.5490 4.5561 4.5561 8.6597 8.6597 8.6897 8.6897 8.7153 8.7153 8.7300 8.7300 k = 0.5000 0.2178 0.1739 ( 4748 PWs) bands (ev): -6.6913 -6.6913 -6.6909 -6.6909 -6.6880 -6.6880 -6.6873 -6.6873 -2.1300 -2.1300 -2.1297 -2.1297 -2.1264 -2.1264 -2.1262 -2.1262 1.6194 1.6194 1.6206 1.6206 1.6332 1.6332 1.6486 1.6486 2.7836 2.7836 2.7944 2.7944 2.8118 2.8118 2.8296 2.8296 4.5168 4.5168 4.5181 4.5181 4.5495 4.5495 4.5562 4.5562 8.7427 8.7427 8.7733 8.7733 8.8033 8.8033 8.8189 8.8189 k = 0.5000 0.2292 0.1739 ( 4748 PWs) bands (ev): -6.6816 -6.6816 -6.6813 -6.6813 -6.6782 -6.6782 -6.6774 -6.6774 -2.1170 -2.1170 -2.1166 -2.1166 -2.1132 -2.1132 -2.1130 -2.1130 1.5695 1.5695 1.5704 1.5704 1.5831 1.5831 1.5985 1.5985 2.7135 2.7135 2.7235 2.7235 2.7419 2.7419 2.7595 2.7595 4.5188 4.5188 4.5196 4.5196 4.5513 4.5513 4.5576 4.5576 8.8156 8.8156 8.8462 8.8462 8.8809 8.8809 8.8968 8.8968 k = 0.5000 0.2407 0.1739 ( 4752 PWs) bands (ev): -6.6720 -6.6720 -6.6716 -6.6716 -6.6684 -6.6684 -6.6677 -6.6677 -2.1042 -2.1042 -2.1037 -2.1037 -2.1002 -2.1002 -2.1000 -2.1000 1.5230 1.5230 1.5238 1.5238 1.5364 1.5364 1.5518 1.5518 2.6426 2.6426 2.6518 2.6518 2.6712 2.6712 2.6886 2.6886 4.5220 4.5220 4.5225 4.5225 4.5543 4.5543 4.5602 4.5602 8.8753 8.8753 8.9048 8.9048 8.9439 8.9439 8.9595 8.9595 k = 0.5000 0.2521 0.1739 ( 4748 PWs) bands (ev): -6.6624 -6.6624 -6.6621 -6.6621 -6.6587 -6.6587 -6.6580 -6.6580 -2.0916 -2.0916 -2.0911 -2.0911 -2.0875 -2.0875 -2.0873 -2.0873 1.4803 1.4803 1.4809 1.4809 1.4935 1.4935 1.5088 1.5088 2.5714 2.5714 2.5799 2.5799 2.6002 2.6002 2.6173 2.6173 4.5262 4.5262 4.5265 4.5265 4.5583 4.5583 4.5637 4.5637 8.9198 8.9198 8.9470 8.9470 8.9898 8.9898 9.0042 9.0042 k = 0.5000 0.2636 0.1739 ( 4752 PWs) bands (ev): -6.6531 -6.6531 -6.6528 -6.6528 -6.6492 -6.6492 -6.6485 -6.6485 -2.0794 -2.0794 -2.0789 -2.0789 -2.0752 -2.0752 -2.0749 -2.0749 1.4415 1.4415 1.4420 1.4420 1.4544 1.4544 1.4697 1.4697 2.5005 2.5005 2.5083 2.5083 2.5294 2.5294 2.5463 2.5463 4.5314 4.5314 4.5314 4.5314 4.5632 4.5632 4.5682 4.5682 8.9490 8.9490 8.9731 8.9731 9.0182 9.0182 9.0310 9.0310 k = 0.5000 0.2751 0.1739 ( 4752 PWs) bands (ev): -6.6440 -6.6440 -6.6437 -6.6437 -6.6399 -6.6399 -6.6393 -6.6393 -2.0677 -2.0677 -2.0671 -2.0671 -2.0634 -2.0634 -2.0631 -2.0631 1.4068 1.4068 1.4072 1.4072 1.4194 1.4194 1.4346 1.4346 2.4303 2.4303 2.4375 2.4375 2.4595 2.4595 2.4761 2.4761 4.5371 4.5371 4.5373 4.5373 4.5688 4.5688 4.5734 4.5734 8.9645 8.9645 8.9852 8.9852 9.0315 9.0315 9.0424 9.0424 k = 0.5000 0.2865 0.1739 ( 4748 PWs) bands (ev): -6.6352 -6.6352 -6.6350 -6.6350 -6.6310 -6.6310 -6.6304 -6.6304 -2.0565 -2.0565 -2.0560 -2.0560 -2.0521 -2.0521 -2.0518 -2.0518 1.3763 1.3763 1.3765 1.3765 1.3885 1.3885 1.4035 1.4035 2.3615 2.3615 2.3680 2.3680 2.3910 2.3910 2.4072 2.4072 4.5434 4.5434 4.5437 4.5437 4.5750 4.5750 4.5791 4.5791 8.9692 8.9692 8.9864 8.9864 9.0331 9.0331 9.0422 9.0422 k = 0.5000 0.2980 0.1739 ( 4756 PWs) bands (ev): -6.6268 -6.6268 -6.6266 -6.6266 -6.6225 -6.6225 -6.6220 -6.6220 -2.0460 -2.0460 -2.0454 -2.0454 -2.0415 -2.0415 -2.0412 -2.0412 1.3500 1.3500 1.3502 1.3502 1.3619 1.3619 1.3766 1.3766 2.2945 2.2945 2.3003 2.3003 2.3243 2.3243 2.3401 2.3401 4.5501 4.5501 4.5505 4.5505 4.5815 4.5815 4.5852 4.5852 8.9658 8.9658 8.9800 8.9800 9.0265 9.0265 9.0340 9.0340 k = 0.5000 0.3094 0.1739 ( 4756 PWs) bands (ev): -6.6189 -6.6189 -6.6187 -6.6187 -6.6144 -6.6144 -6.6140 -6.6140 -2.0362 -2.0362 -2.0356 -2.0356 -2.0316 -2.0316 -2.0313 -2.0313 1.3279 1.3279 1.3280 1.3280 1.3394 1.3394 1.3538 1.3538 2.2299 2.2299 2.2351 2.2351 2.2601 2.2601 2.2754 2.2754 4.5569 4.5569 4.5574 4.5574 4.5882 4.5882 4.5915 4.5915 8.9569 8.9569 8.9685 8.9685 9.0146 9.0146 9.0208 9.0208 k = 0.5000 0.3209 0.1739 ( 4760 PWs) bands (ev): -6.6115 -6.6115 -6.6113 -6.6113 -6.6069 -6.6069 -6.6065 -6.6065 -2.0272 -2.0272 -2.0266 -2.0266 -2.0225 -2.0225 -2.0222 -2.0222 1.3099 1.3099 1.3100 1.3100 1.3211 1.3211 1.3350 1.3350 2.1681 2.1681 2.1728 2.1728 2.1989 2.1989 2.2136 2.2136 4.5638 4.5638 4.5643 4.5643 4.5949 4.5949 4.5978 4.5978 8.9447 8.9447 8.9540 8.9540 8.9997 8.9997 9.0047 9.0047 k = 0.5000 0.3324 0.1739 ( 4756 PWs) bands (ev): -6.6047 -6.6047 -6.6046 -6.6046 -6.6000 -6.6000 -6.5996 -6.5996 -2.0190 -2.0190 -2.0184 -2.0184 -2.0143 -2.0143 -2.0140 -2.0140 1.2958 1.2958 1.2958 1.2958 1.3067 1.3067 1.3199 1.3199 2.1099 2.1099 2.1140 2.1140 2.1414 2.1414 2.1553 2.1553 4.5705 4.5705 4.5710 4.5710 4.6014 4.6014 4.6040 4.6040 8.9307 8.9307 8.9382 8.9382 8.9834 8.9834 8.9875 8.9875 k = 0.5000 0.3438 0.1739 ( 4764 PWs) bands (ev): -6.5986 -6.5986 -6.5984 -6.5984 -6.5938 -6.5938 -6.5934 -6.5934 -2.0116 -2.0116 -2.0111 -2.0111 -2.0069 -2.0069 -2.0066 -2.0066 1.2854 1.2854 1.2854 1.2854 1.2959 1.2959 1.3084 1.3084 2.0558 2.0558 2.0593 2.0593 2.0881 2.0881 2.1011 2.1011 4.5768 4.5768 4.5773 4.5773 4.6076 4.6076 4.6098 4.6098 8.9162 8.9162 8.9222 8.9222 8.9669 8.9669 8.9703 8.9703 k = 0.5000 0.3553 0.1739 ( 4768 PWs) bands (ev): -6.5931 -6.5931 -6.5930 -6.5930 -6.5882 -6.5882 -6.5879 -6.5879 -2.0052 -2.0052 -2.0047 -2.0047 -2.0005 -2.0005 -2.0002 -2.0002 1.2782 1.2782 1.2782 1.2782 1.2885 1.2885 1.3000 1.3000 2.0064 2.0064 2.0095 2.0095 2.0398 2.0398 2.0516 2.0516 4.5826 4.5826 4.5830 4.5830 4.6133 4.6133 4.6152 4.6152 8.9021 8.9021 8.9068 8.9068 8.9513 8.9513 8.9539 8.9539 k = 0.5000 0.3667 0.1739 ( 4772 PWs) bands (ev): -6.5884 -6.5884 -6.5883 -6.5883 -6.5835 -6.5835 -6.5832 -6.5832 -1.9997 -1.9997 -1.9993 -1.9993 -1.9950 -1.9950 -1.9947 -1.9947 1.2738 1.2738 1.2738 1.2738 1.2840 1.2840 1.2942 1.2942 1.9626 1.9626 1.9652 1.9652 1.9971 1.9971 2.0076 2.0076 4.5878 4.5878 4.5882 4.5882 4.6184 4.6184 4.6199 4.6199 8.8892 8.8892 8.8929 8.8929 8.9371 8.9371 8.9392 8.9392 k = 0.5000 0.3782 0.1739 ( 4776 PWs) bands (ev): -6.5845 -6.5845 -6.5844 -6.5844 -6.5795 -6.5795 -6.5793 -6.5793 -1.9952 -1.9952 -1.9949 -1.9949 -1.9904 -1.9904 -1.9903 -1.9903 1.2716 1.2716 1.2716 1.2716 1.2818 1.2818 1.2905 1.2905 1.9252 1.9252 1.9272 1.9272 1.9609 1.9609 1.9698 1.9698 4.5922 4.5922 4.5925 4.5925 4.6227 4.6227 4.6239 4.6239 8.8780 8.8780 8.8808 8.8808 8.9249 8.9249 8.9265 8.9265 k = 0.5000 0.3897 0.1739 ( 4784 PWs) bands (ev): -6.5814 -6.5814 -6.5814 -6.5814 -6.5764 -6.5764 -6.5762 -6.5762 -1.9917 -1.9917 -1.9914 -1.9914 -1.9869 -1.9869 -1.9868 -1.9868 1.2710 1.2710 1.2710 1.2710 1.2813 1.2813 1.2882 1.2882 1.8949 1.8949 1.8964 1.8964 1.9320 1.9320 1.9390 1.9390 4.5957 4.5957 4.5960 4.5960 4.6262 4.6262 4.6271 4.6271 8.8689 8.8689 8.8709 8.8709 8.9151 8.9151 8.9163 8.9163 k = 0.5000 0.4011 0.1739 ( 4784 PWs) bands (ev): -6.5792 -6.5792 -6.5792 -6.5792 -6.5741 -6.5741 -6.5740 -6.5740 -1.9891 -1.9891 -1.9890 -1.9890 -1.9844 -1.9844 -1.9843 -1.9843 1.2711 1.2711 1.2712 1.2712 1.2820 1.2820 1.2867 1.2867 1.8726 1.8726 1.8736 1.8736 1.9111 1.9111 1.9159 1.9159 4.5984 4.5984 4.5985 4.5985 4.6288 4.6288 4.6294 4.6294 8.8624 8.8624 8.8637 8.8637 8.9080 8.9080 8.9087 8.9087 k = 0.5000 0.4126 0.1739 ( 4792 PWs) bands (ev): -6.5779 -6.5779 -6.5779 -6.5779 -6.5727 -6.5727 -6.5727 -6.5727 -1.9876 -1.9876 -1.9875 -1.9875 -1.9828 -1.9828 -1.9828 -1.9828 1.2715 1.2715 1.2715 1.2715 1.2832 1.2832 1.2856 1.2856 1.8590 1.8590 1.8595 1.8595 1.8987 1.8987 1.9012 1.9012 4.6000 4.6000 4.6001 4.6001 4.6305 4.6305 4.6308 4.6308 8.8584 8.8584 8.8591 8.8591 8.9037 8.9037 8.9040 8.9040 k = 0.5000 0.4241 0.1739 ( 4784 PWs) bands (ev): -6.5774 -6.5774 -6.5774 -6.5774 -6.5722 -6.5722 -6.5722 -6.5722 -1.9870 -1.9870 -1.9870 -1.9870 -1.9823 -1.9823 -1.9823 -1.9823 1.2717 1.2717 1.2717 1.2717 1.2844 1.2844 1.2844 1.2844 1.8546 1.8546 1.8546 1.8546 1.8954 1.8954 1.8954 1.8954 4.6005 4.6005 4.6005 4.6005 4.6311 4.6311 4.6311 4.6311 8.8573 8.8573 8.8573 8.8573 8.9023 8.9023 8.9023 8.9023 k = 0.5000 0.4241 0.1739 ( 4784 PWs) bands (ev): -6.5774 -6.5774 -6.5774 -6.5774 -6.5722 -6.5722 -6.5722 -6.5722 -1.9870 -1.9870 -1.9870 -1.9870 -1.9823 -1.9823 -1.9823 -1.9823 1.2717 1.2717 1.2717 1.2717 1.2844 1.2844 1.2844 1.2844 1.8546 1.8546 1.8546 1.8546 1.8954 1.8954 1.8954 1.8954 4.6005 4.6005 4.6005 4.6005 4.6311 4.6311 4.6311 4.6311 8.8573 8.8573 8.8573 8.8573 8.9023 8.9023 8.9023 8.9023 k = 0.4886 0.4241 0.1739 ( 4792 PWs) bands (ev): -6.5850 -6.5850 -6.5850 -6.5850 -6.5673 -6.5673 -6.5673 -6.5673 -2.0042 -2.0042 -2.0042 -2.0042 -1.9626 -1.9626 -1.9626 -1.9626 1.2485 1.2485 1.2485 1.2485 1.2965 1.2965 1.2965 1.2965 1.8544 1.8544 1.8544 1.8544 1.9139 1.9139 1.9139 1.9139 4.5966 4.5966 4.5966 4.5966 4.6335 4.6335 4.6335 4.6335 8.8503 8.8503 8.8503 8.8503 8.9138 8.9138 8.9138 8.9138 k = 0.4773 0.4241 0.1739 ( 4788 PWs) bands (ev): -6.5972 -6.5972 -6.5972 -6.5972 -6.5629 -6.5629 -6.5629 -6.5629 -2.0210 -2.0210 -2.0210 -2.0210 -1.9383 -1.9383 -1.9383 -1.9383 1.2134 1.2134 1.2134 1.2134 1.2996 1.2996 1.2996 1.2996 1.8664 1.8664 1.8664 1.8664 1.9556 1.9556 1.9556 1.9556 4.5869 4.5869 4.5869 4.5869 4.6385 4.6385 4.6385 4.6385 8.8385 8.8385 8.8385 8.8385 8.9389 8.9389 8.9389 8.9389 k = 0.4659 0.4241 0.1739 ( 4784 PWs) bands (ev): -6.6119 -6.6119 -6.6119 -6.6119 -6.5611 -6.5611 -6.5611 -6.5611 -2.0354 -2.0354 -2.0354 -2.0354 -1.9115 -1.9115 -1.9115 -1.9115 1.1750 1.1750 1.1750 1.1750 1.2891 1.2891 1.2891 1.2891 1.8975 1.8975 1.8975 1.8975 2.0095 2.0095 2.0095 2.0095 4.5743 4.5743 4.5743 4.5743 4.6435 4.6435 4.6435 4.6435 8.8286 8.8286 8.8286 8.8286 8.9705 8.9705 8.9705 8.9705 k = 0.4545 0.4241 0.1739 ( 4780 PWs) bands (ev): -6.6290 -6.6290 -6.6290 -6.6290 -6.5619 -6.5619 -6.5619 -6.5619 -2.0475 -2.0475 -2.0475 -2.0475 -1.8825 -1.8825 -1.8825 -1.8825 1.1366 1.1366 1.1366 1.1366 1.2680 1.2680 1.2680 1.2680 1.9460 1.9460 1.9460 1.9460 2.0712 2.0712 2.0712 2.0712 4.5597 4.5597 4.5597 4.5597 4.6479 4.6479 4.6479 4.6479 8.8222 8.8222 8.8222 8.8222 9.0072 9.0072 9.0072 9.0072 k = 0.4432 0.4241 0.1739 ( 4768 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5653 -6.5653 -6.5653 -6.5653 -2.0575 -2.0575 -2.0575 -2.0575 -1.8517 -1.8517 -1.8517 -1.8517 1.1002 1.1002 1.1002 1.1002 1.2404 1.2404 1.2404 1.2404 2.0081 2.0081 2.0081 2.0081 2.1384 2.1384 2.1384 2.1384 4.5436 4.5436 4.5436 4.5436 4.6513 4.6513 4.6513 4.6513 8.8195 8.8195 8.8195 8.8195 9.0481 9.0481 9.0481 9.0481 k = 0.4318 0.4241 0.1739 ( 4764 PWs) bands (ev): -6.6697 -6.6697 -6.6697 -6.6697 -6.5712 -6.5712 -6.5712 -6.5712 -2.0658 -2.0658 -2.0658 -2.0658 -1.8192 -1.8192 -1.8192 -1.8192 1.0673 1.0673 1.0673 1.0673 1.2101 1.2101 1.2101 1.2101 2.0803 2.0803 2.0803 2.0803 2.2093 2.2093 2.2093 2.2093 4.5265 4.5265 4.5265 4.5265 4.6538 4.6538 4.6538 4.6538 8.8204 8.8204 8.8204 8.8204 9.0930 9.0930 9.0930 9.0930 k = 0.4205 0.4241 0.1739 ( 4764 PWs) bands (ev): -6.6930 -6.6930 -6.6930 -6.6930 -6.5795 -6.5795 -6.5795 -6.5795 -2.0725 -2.0725 -2.0725 -2.0725 -1.7855 -1.7855 -1.7855 -1.7855 1.0390 1.0390 1.0390 1.0390 1.1797 1.1797 1.1797 1.1797 2.1600 2.1600 2.1600 2.1600 2.2827 2.2827 2.2827 2.2827 4.5086 4.5086 4.5086 4.5086 4.6558 4.6558 4.6558 4.6558 8.8248 8.8248 8.8248 8.8248 9.1415 9.1415 9.1415 9.1415 k = 0.4091 0.4241 0.1739 ( 4764 PWs) bands (ev): -6.7181 -6.7181 -6.7181 -6.7181 -6.5901 -6.5901 -6.5901 -6.5901 -2.0780 -2.0780 -2.0780 -2.0780 -1.7510 -1.7510 -1.7510 -1.7510 1.0162 1.0162 1.0162 1.0162 1.1513 1.1513 1.1513 1.1513 2.2453 2.2453 2.2453 2.2453 2.3579 2.3579 2.3579 2.3579 4.4903 4.4903 4.4903 4.4903 4.6574 4.6574 4.6574 4.6574 8.8322 8.8322 8.8322 8.8322 9.1931 9.1931 9.1931 9.1931 k = 0.3977 0.4241 0.1739 ( 4760 PWs) bands (ev): -6.7447 -6.7447 -6.7447 -6.7447 -6.6029 -6.6029 -6.6029 -6.6029 -2.0827 -2.0827 -2.0827 -2.0827 -1.7163 -1.7163 -1.7163 -1.7163 0.9995 0.9995 0.9995 0.9995 1.1265 1.1265 1.1265 1.1265 2.3346 2.3346 2.3346 2.3346 2.4340 2.4340 2.4340 2.4340 4.4720 4.4720 4.4720 4.4720 4.6590 4.6590 4.6590 4.6590 8.8426 8.8426 8.8426 8.8426 9.2475 9.2475 9.2475 9.2475 k = 0.3864 0.4241 0.1739 ( 4752 PWs) bands (ev): -6.7726 -6.7726 -6.7726 -6.7726 -6.6176 -6.6176 -6.6176 -6.6176 -2.0870 -2.0870 -2.0870 -2.0870 -1.6817 -1.6817 -1.6817 -1.6817 0.9895 0.9895 0.9895 0.9895 1.1063 1.1063 1.1063 1.1063 2.4267 2.4267 2.4267 2.4267 2.5105 2.5105 2.5105 2.5105 4.4542 4.4542 4.4542 4.4542 4.6611 4.6611 4.6611 4.6611 8.8553 8.8553 8.8553 8.8553 9.3043 9.3043 9.3043 9.3043 k = 0.3750 0.4241 0.1739 ( 4756 PWs) bands (ev): -6.8017 -6.8017 -6.8017 -6.8017 -6.6343 -6.6343 -6.6343 -6.6343 -2.0911 -2.0911 -2.0911 -2.0911 -1.6480 -1.6480 -1.6480 -1.6480 0.9865 0.9865 0.9865 0.9865 1.0916 1.0916 1.0916 1.0916 2.5203 2.5203 2.5203 2.5203 2.5870 2.5870 2.5870 2.5870 4.4373 4.4373 4.4373 4.4373 4.6640 4.6640 4.6640 4.6640 8.8702 8.8702 8.8702 8.8702 9.3628 9.3628 9.3628 9.3628 k = 0.3636 0.4241 0.1739 ( 4752 PWs) bands (ev): -6.8318 -6.8318 -6.8318 -6.8318 -6.6526 -6.6526 -6.6526 -6.6526 -2.0954 -2.0954 -2.0954 -2.0954 -1.6155 -1.6155 -1.6155 -1.6155 0.9908 0.9908 0.9908 0.9908 1.0834 1.0834 1.0834 1.0834 2.6136 2.6136 2.6136 2.6136 2.6638 2.6638 2.6638 2.6638 4.4219 4.4219 4.4219 4.4219 4.6683 4.6683 4.6683 4.6683 8.8866 8.8866 8.8866 8.8866 9.4226 9.4226 9.4226 9.4226 k = 0.3523 0.4241 0.1739 ( 4748 PWs) bands (ev): -6.8627 -6.8627 -6.8627 -6.8627 -6.6724 -6.6724 -6.6724 -6.6724 -2.1003 -2.1003 -2.1003 -2.1003 -1.5849 -1.5849 -1.5849 -1.5849 1.0029 1.0029 1.0029 1.0029 1.0821 1.0821 1.0821 1.0821 2.7030 2.7030 2.7030 2.7030 2.7429 2.7429 2.7429 2.7429 4.4087 4.4087 4.4087 4.4087 4.6745 4.6745 4.6745 4.6745 8.9044 8.9044 8.9044 8.9044 9.4829 9.4829 9.4829 9.4829 k = 0.3409 0.4241 0.1739 ( 4744 PWs) bands (ev): -6.8942 -6.8942 -6.8942 -6.8942 -6.6934 -6.6934 -6.6934 -6.6934 -2.1059 -2.1059 -2.1059 -2.1059 -1.5567 -1.5567 -1.5567 -1.5567 1.0226 1.0226 1.0226 1.0226 1.0883 1.0883 1.0883 1.0883 2.7832 2.7832 2.7832 2.7832 2.8280 2.8280 2.8280 2.8280 4.3986 4.3986 4.3986 4.3986 4.6831 4.6831 4.6831 4.6831 8.9229 8.9229 8.9229 8.9229 9.5428 9.5428 9.5428 9.5428 k = 0.3295 0.4241 0.1739 ( 4744 PWs) bands (ev): -6.9262 -6.9262 -6.9262 -6.9262 -6.7156 -6.7156 -6.7156 -6.7156 -2.1125 -2.1125 -2.1125 -2.1125 -1.5311 -1.5311 -1.5311 -1.5311 1.0502 1.0502 1.0502 1.0502 1.1025 1.1025 1.1025 1.1025 2.8539 2.8539 2.8539 2.8539 2.9175 2.9175 2.9175 2.9175 4.3925 4.3925 4.3925 4.3925 4.6946 4.6946 4.6946 4.6946 8.9418 8.9418 8.9418 8.9418 9.6011 9.6011 9.6011 9.6011 k = 0.3182 0.4241 0.1739 ( 4748 PWs) bands (ev): -6.9584 -6.9584 -6.9584 -6.9584 -6.7387 -6.7387 -6.7387 -6.7387 -2.1202 -2.1202 -2.1202 -2.1202 -1.5087 -1.5087 -1.5087 -1.5087 1.0856 1.0856 1.0856 1.0856 1.1250 1.1250 1.1250 1.1250 2.9182 2.9182 2.9182 2.9182 3.0068 3.0068 3.0068 3.0068 4.3915 4.3915 4.3915 4.3915 4.7095 4.7095 4.7095 4.7095 8.9606 8.9606 8.9606 8.9606 9.6565 9.6565 9.6565 9.6565 k = 0.3068 0.4241 0.1739 ( 4744 PWs) bands (ev): -6.9908 -6.9908 -6.9908 -6.9908 -6.7625 -6.7625 -6.7625 -6.7625 -2.1291 -2.1291 -2.1291 -2.1291 -1.4896 -1.4896 -1.4896 -1.4896 1.1285 1.1285 1.1285 1.1285 1.1560 1.1560 1.1560 1.1560 2.9769 2.9769 2.9769 2.9769 3.0927 3.0927 3.0927 3.0927 4.3969 4.3969 4.3969 4.3969 4.7283 4.7283 4.7283 4.7283 8.9791 8.9791 8.9791 8.9791 9.7066 9.7066 9.7066 9.7066 k = 0.2955 0.4241 0.1739 ( 4752 PWs) bands (ev): -7.0231 -7.0231 -7.0231 -7.0231 -6.7869 -6.7869 -6.7869 -6.7869 -2.1392 -2.1392 -2.1392 -2.1392 -1.4739 -1.4739 -1.4739 -1.4739 1.1783 1.1783 1.1783 1.1783 1.1960 1.1960 1.1960 1.1960 3.0303 3.0303 3.0303 3.0303 3.1732 3.1732 3.1732 3.1732 4.4102 4.4102 4.4102 4.4102 4.7513 4.7513 4.7513 4.7513 8.9966 8.9966 8.9966 8.9966 9.7481 9.7481 9.7481 9.7481 k = 0.2841 0.4241 0.1739 ( 4748 PWs) bands (ev): -7.0552 -7.0552 -7.0552 -7.0552 -6.8117 -6.8117 -6.8117 -6.8117 -2.1506 -2.1506 -2.1506 -2.1506 -1.4618 -1.4618 -1.4618 -1.4618 1.2333 1.2333 1.2333 1.2333 1.2465 1.2465 1.2465 1.2465 3.0783 3.0783 3.0783 3.0783 3.2465 3.2465 3.2465 3.2465 4.4328 4.4328 4.4328 4.4328 4.7787 4.7787 4.7787 4.7787 9.0128 9.0128 9.0128 9.0128 9.7761 9.7761 9.7761 9.7761 k = 0.2727 0.4241 0.1739 ( 4736 PWs) bands (ev): -7.0870 -7.0870 -7.0870 -7.0870 -6.8367 -6.8367 -6.8367 -6.8367 -2.1631 -2.1631 -2.1631 -2.1631 -1.4531 -1.4531 -1.4531 -1.4531 1.2917 1.2917 1.2917 1.2917 1.3086 1.3086 1.3086 1.3086 3.1207 3.1207 3.1207 3.1207 3.3110 3.3110 3.3110 3.3110 4.4660 4.4660 4.4660 4.4660 4.8104 4.8104 4.8104 4.8104 9.0273 9.0273 9.0273 9.0273 9.7835 9.7835 9.7835 9.7835 k = 0.2614 0.4241 0.1739 ( 4748 PWs) bands (ev): -7.1184 -7.1184 -7.1184 -7.1184 -6.8617 -6.8617 -6.8617 -6.8617 -2.1766 -2.1766 -2.1766 -2.1766 -1.4477 -1.4477 -1.4477 -1.4477 1.3553 1.3553 1.3553 1.3553 1.3799 1.3799 1.3799 1.3799 3.1574 3.1574 3.1574 3.1574 3.3659 3.3659 3.3659 3.3659 4.5105 4.5105 4.5105 4.5105 4.8464 4.8464 4.8464 4.8464 9.0393 9.0393 9.0393 9.0393 9.7638 9.7638 9.7638 9.7638 k = 0.2500 0.4241 0.1739 ( 4752 PWs) bands (ev): -7.1492 -7.1492 -7.1492 -7.1492 -6.8867 -6.8867 -6.8867 -6.8867 -2.1911 -2.1911 -2.1911 -2.1911 -1.4453 -1.4453 -1.4453 -1.4453 1.4253 1.4253 1.4253 1.4253 1.4583 1.4583 1.4583 1.4583 3.1887 3.1887 3.1887 3.1887 3.4108 3.4108 3.4108 3.4108 4.5665 4.5665 4.5665 4.5665 4.8862 4.8862 4.8862 4.8862 9.0481 9.0481 9.0481 9.0481 9.7160 9.7160 9.7160 9.7160 k = 0.2386 0.4241 0.1739 ( 4744 PWs) bands (ev): -7.1793 -7.1793 -7.1793 -7.1793 -6.9114 -6.9114 -6.9114 -6.9114 -2.2063 -2.2063 -2.2063 -2.2063 -1.4457 -1.4457 -1.4457 -1.4457 1.5015 1.5015 1.5015 1.5015 1.5431 1.5431 1.5431 1.5431 3.2147 3.2147 3.2147 3.2147 3.4460 3.4460 3.4460 3.4460 4.6333 4.6333 4.6333 4.6333 4.9294 4.9294 4.9294 4.9294 9.0524 9.0524 9.0524 9.0524 9.6452 9.6452 9.6452 9.6452 k = 0.2273 0.4241 0.1739 ( 4728 PWs) bands (ev): -7.2087 -7.2087 -7.2087 -7.2087 -6.9358 -6.9358 -6.9358 -6.9358 -2.2222 -2.2222 -2.2222 -2.2222 -1.4485 -1.4485 -1.4485 -1.4485 1.5834 1.5834 1.5834 1.5834 1.6335 1.6335 1.6335 1.6335 3.2359 3.2359 3.2359 3.2359 3.4727 3.4727 3.4727 3.4727 4.7096 4.7096 4.7096 4.7096 4.9753 4.9753 4.9753 4.9753 9.0504 9.0504 9.0504 9.0504 9.5586 9.5586 9.5586 9.5586 k = 0.2159 0.4241 0.1739 ( 4728 PWs) bands (ev): -7.2371 -7.2371 -7.2371 -7.2371 -6.9597 -6.9597 -6.9597 -6.9597 -2.2385 -2.2385 -2.2385 -2.2385 -1.4534 -1.4534 -1.4534 -1.4534 1.6704 1.6704 1.6704 1.6704 1.7292 1.7292 1.7292 1.7292 3.2526 3.2526 3.2526 3.2526 3.4922 3.4922 3.4922 3.4922 4.7938 4.7938 4.7938 4.7938 5.0231 5.0231 5.0231 5.0231 9.0395 9.0395 9.0395 9.0395 9.4617 9.4617 9.4617 9.4617 k = 0.2045 0.4241 0.1739 ( 4736 PWs) bands (ev): -7.2646 -7.2646 -7.2646 -7.2646 -6.9830 -6.9830 -6.9830 -6.9830 -2.2550 -2.2550 -2.2550 -2.2550 -1.4600 -1.4600 -1.4600 -1.4600 1.7617 1.7617 1.7617 1.7617 1.8295 1.8295 1.8295 1.8295 3.2655 3.2655 3.2655 3.2655 3.5060 3.5060 3.5060 3.5060 4.8839 4.8839 4.8839 4.8839 5.0719 5.0719 5.0719 5.0719 9.0161 9.0161 9.0161 9.0161 9.3585 9.3585 9.3585 9.3585 k = 0.1932 0.4241 0.1739 ( 4744 PWs) bands (ev): -7.2910 -7.2910 -7.2910 -7.2910 -7.0055 -7.0055 -7.0055 -7.0055 -2.2717 -2.2717 -2.2717 -2.2717 -1.4681 -1.4681 -1.4681 -1.4681 1.8565 1.8565 1.8565 1.8565 1.9340 1.9340 1.9340 1.9340 3.2749 3.2749 3.2749 3.2749 3.5157 3.5157 3.5157 3.5157 4.9780 4.9780 4.9780 4.9780 5.1207 5.1207 5.1207 5.1207 8.9763 8.9763 8.9763 8.9763 9.2517 9.2517 9.2517 9.2517 k = 0.1818 0.4241 0.1739 ( 4736 PWs) bands (ev): -7.3163 -7.3163 -7.3163 -7.3163 -7.0273 -7.0273 -7.0273 -7.0273 -2.2883 -2.2883 -2.2883 -2.2883 -1.4772 -1.4772 -1.4772 -1.4772 1.9538 1.9538 1.9538 1.9538 2.0420 2.0420 2.0420 2.0420 3.2815 3.2815 3.2815 3.2815 3.5227 3.5227 3.5227 3.5227 5.0741 5.0741 5.0741 5.0741 5.1686 5.1686 5.1686 5.1686 8.9175 8.9175 8.9175 8.9175 9.1435 9.1435 9.1435 9.1435 k = 0.1705 0.4241 0.1739 ( 4736 PWs) bands (ev): -7.3404 -7.3404 -7.3404 -7.3404 -7.0481 -7.0481 -7.0481 -7.0481 -2.3046 -2.3046 -2.3046 -2.3046 -1.4872 -1.4872 -1.4872 -1.4872 2.0528 2.0528 2.0528 2.0528 2.1530 2.1530 2.1530 2.1530 3.2857 3.2857 3.2857 3.2857 3.5282 3.5282 3.5282 3.5282 5.1698 5.1698 5.1698 5.1698 5.2153 5.2153 5.2153 5.2153 8.8403 8.8403 8.8403 8.8403 9.0358 9.0358 9.0358 9.0358 k = 0.1591 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.3631 -7.3631 -7.3631 -7.3631 -7.0680 -7.0680 -7.0680 -7.0680 -2.3205 -2.3205 -2.3205 -2.3205 -1.4976 -1.4976 -1.4976 -1.4976 2.1524 2.1524 2.1524 2.1524 2.2663 2.2663 2.2663 2.2663 3.2881 3.2881 3.2881 3.2881 3.5335 3.5335 3.5335 3.5335 5.2501 5.2501 5.2501 5.2501 5.2730 5.2730 5.2730 5.2730 8.7484 8.7484 8.7484 8.7484 8.9306 8.9306 8.9306 8.9306 k = 0.1477 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.3846 -7.3846 -7.3846 -7.3846 -7.0868 -7.0868 -7.0868 -7.0868 -2.3359 -2.3359 -2.3359 -2.3359 -1.5082 -1.5082 -1.5082 -1.5082 2.2513 2.2513 2.2513 2.2513 2.3811 2.3811 2.3811 2.3811 3.2892 3.2892 3.2892 3.2892 3.5394 3.5394 3.5394 3.5394 5.2925 5.2925 5.2925 5.2925 5.3613 5.3613 5.3613 5.3613 8.6466 8.6466 8.6466 8.6466 8.8297 8.8297 8.8297 8.8297 k = 0.1364 0.4241 0.1739 ( 4744 PWs) bands (ev): -7.4047 -7.4047 -7.4047 -7.4047 -7.1045 -7.1045 -7.1045 -7.1045 -2.3507 -2.3507 -2.3507 -2.3507 -1.5189 -1.5189 -1.5189 -1.5189 2.3482 2.3482 2.3482 2.3482 2.4965 2.4965 2.4965 2.4965 3.2894 3.2894 3.2894 3.2894 3.5471 3.5471 3.5471 3.5471 5.3266 5.3266 5.3266 5.3266 5.4483 5.4483 5.4483 5.4483 8.5397 8.5397 8.5397 8.5397 8.7350 8.7350 8.7350 8.7350 k = 0.1250 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.4233 -7.4233 -7.4233 -7.4233 -7.1210 -7.1210 -7.1210 -7.1210 -2.3647 -2.3647 -2.3647 -2.3647 -1.5294 -1.5294 -1.5294 -1.5294 2.4416 2.4416 2.4416 2.4416 2.6115 2.6115 2.6115 2.6115 3.2893 3.2893 3.2893 3.2893 3.5575 3.5575 3.5575 3.5575 5.3544 5.3544 5.3544 5.3544 5.5293 5.5293 5.5293 5.5293 8.4317 8.4317 8.4317 8.4317 8.6485 8.6485 8.6485 8.6485 k = 0.1136 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.4405 -7.4405 -7.4405 -7.4405 -7.1362 -7.1362 -7.1362 -7.1362 -2.3778 -2.3778 -2.3778 -2.3778 -1.5395 -1.5395 -1.5395 -1.5395 2.5301 2.5301 2.5301 2.5301 2.7248 2.7248 2.7248 2.7248 3.2894 3.2894 3.2894 3.2894 3.5713 3.5713 3.5713 3.5713 5.3756 5.3756 5.3756 5.3756 5.6022 5.6022 5.6022 5.6022 8.3258 8.3258 8.3258 8.3258 8.5725 8.5725 8.5725 8.5725 k = 0.1023 0.4241 0.1739 ( 4744 PWs) bands (ev): -7.4561 -7.4561 -7.4561 -7.4561 -7.1502 -7.1502 -7.1502 -7.1502 -2.3899 -2.3899 -2.3899 -2.3899 -1.5491 -1.5491 -1.5491 -1.5491 2.6121 2.6121 2.6121 2.6121 2.8346 2.8346 2.8346 2.8346 3.2907 3.2907 3.2907 3.2907 3.5892 3.5892 3.5892 3.5892 5.3898 5.3898 5.3898 5.3898 5.6656 5.6656 5.6656 5.6656 8.2246 8.2246 8.2246 8.2246 8.5089 8.5089 8.5089 8.5089 k = 0.0909 0.4241 0.1739 ( 4736 PWs) bands (ev): -7.4702 -7.4702 -7.4702 -7.4702 -7.1628 -7.1628 -7.1628 -7.1628 -2.4010 -2.4010 -2.4010 -2.4010 -1.5580 -1.5580 -1.5580 -1.5580 2.6859 2.6859 2.6859 2.6859 2.9383 2.9383 2.9383 2.9383 3.2946 3.2946 3.2946 3.2946 3.6117 3.6117 3.6117 3.6117 5.3969 5.3969 5.3969 5.3969 5.7183 5.7183 5.7183 5.7183 8.1301 8.1301 8.1301 8.1301 8.4595 8.4595 8.4595 8.4595 k = 0.0795 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.4827 -7.4827 -7.4827 -7.4827 -7.1739 -7.1739 -7.1739 -7.1739 -2.4109 -2.4109 -2.4109 -2.4109 -1.5662 -1.5662 -1.5662 -1.5662 2.7505 2.7505 2.7505 2.7505 3.0319 3.0319 3.0319 3.0319 3.3039 3.3039 3.3039 3.3039 3.6385 3.6385 3.6385 3.6385 5.3971 5.3971 5.3971 5.3971 5.7597 5.7597 5.7597 5.7597 8.0442 8.0442 8.0442 8.0442 8.4257 8.4257 8.4257 8.4257 k = 0.0682 0.4241 0.1739 ( 4748 PWs) bands (ev): -7.4936 -7.4936 -7.4936 -7.4936 -7.1837 -7.1837 -7.1837 -7.1837 -2.4197 -2.4197 -2.4197 -2.4197 -1.5734 -1.5734 -1.5734 -1.5734 2.8052 2.8052 2.8052 2.8052 3.1086 3.1086 3.1086 3.1086 3.3237 3.3237 3.3237 3.3237 3.6688 3.6688 3.6688 3.6688 5.3912 5.3912 5.3912 5.3912 5.7900 5.7900 5.7900 5.7900 7.9680 7.9680 7.9680 7.9680 8.4079 8.4079 8.4079 8.4079 k = 0.0568 0.4241 0.1739 ( 4752 PWs) bands (ev): -7.5029 -7.5029 -7.5029 -7.5029 -7.1920 -7.1920 -7.1920 -7.1920 -2.4272 -2.4272 -2.4272 -2.4272 -1.5797 -1.5797 -1.5797 -1.5797 2.8497 2.8497 2.8497 2.8497 3.1607 3.1607 3.1607 3.1607 3.3596 3.3596 3.3596 3.3596 3.7011 3.7011 3.7011 3.7011 5.3804 5.3804 5.3804 5.3804 5.8099 5.8099 5.8099 5.8099 7.9027 7.9027 7.9027 7.9027 8.4059 8.4059 8.4059 8.4059 k = 0.0455 0.4241 0.1739 ( 4748 PWs) bands (ev): -7.5104 -7.5104 -7.5104 -7.5104 -7.1989 -7.1989 -7.1989 -7.1989 -2.4334 -2.4334 -2.4334 -2.4334 -1.5849 -1.5849 -1.5849 -1.5849 2.8845 2.8845 2.8845 2.8845 3.1889 3.1889 3.1889 3.1889 3.4086 3.4086 3.4086 3.4086 3.7329 3.7329 3.7329 3.7329 5.3667 5.3667 5.3667 5.3667 5.8214 5.8214 5.8214 5.8214 7.8487 7.8487 7.8487 7.8487 8.4177 8.4177 8.4177 8.4177 k = 0.0341 0.4241 0.1739 ( 4744 PWs) bands (ev): -7.5164 -7.5164 -7.5164 -7.5164 -7.2042 -7.2042 -7.2042 -7.2042 -2.4382 -2.4382 -2.4382 -2.4382 -1.5890 -1.5890 -1.5890 -1.5890 2.9103 2.9103 2.9103 2.9103 3.2025 3.2025 3.2025 3.2025 3.4589 3.4589 3.4589 3.4589 3.7616 3.7616 3.7616 3.7616 5.3522 5.3522 5.3522 5.3522 5.8265 5.8265 5.8265 5.8265 7.8066 7.8066 7.8066 7.8066 8.4401 8.4401 8.4401 8.4401 k = 0.0227 0.4241 0.1739 ( 4740 PWs) bands (ev): -7.5206 -7.5206 -7.5206 -7.5206 -7.2080 -7.2080 -7.2080 -7.2080 -2.4417 -2.4417 -2.4417 -2.4417 -1.5920 -1.5920 -1.5920 -1.5920 2.9280 2.9280 2.9280 2.9280 3.2089 3.2089 3.2089 3.2089 3.5005 3.5005 3.5005 3.5005 3.7846 3.7846 3.7846 3.7846 5.3394 5.3394 5.3394 5.3394 5.8279 5.8279 5.8279 5.8279 7.7765 7.7765 7.7765 7.7765 8.4676 8.4676 8.4676 8.4676 k = 0.0114 0.4241 0.1739 ( 4732 PWs) bands (ev): -7.5232 -7.5232 -7.5232 -7.5232 -7.2103 -7.2103 -7.2103 -7.2103 -2.4438 -2.4438 -2.4438 -2.4438 -1.5938 -1.5938 -1.5938 -1.5938 2.9382 2.9382 2.9382 2.9382 3.2118 3.2118 3.2118 3.2118 3.5275 3.5275 3.5275 3.5275 3.7993 3.7993 3.7993 3.7993 5.3307 5.3307 5.3307 5.3307 5.8277 5.8277 5.8277 5.8277 7.7585 7.7585 7.7585 7.7585 8.4914 8.4914 8.4914 8.4914 k = 0.0000 0.4241 0.1739 ( 4724 PWs) bands (ev): -7.5240 -7.5240 -7.5240 -7.5240 -7.2111 -7.2111 -7.2111 -7.2111 -2.4445 -2.4445 -2.4445 -2.4445 -1.5944 -1.5944 -1.5944 -1.5944 2.9416 2.9416 2.9416 2.9416 3.2127 3.2127 3.2127 3.2127 3.5369 3.5369 3.5369 3.5369 3.8044 3.8044 3.8044 3.8044 5.3276 5.3276 5.3276 5.3276 5.8274 5.8274 5.8274 5.8274 7.7524 7.7524 7.7524 7.7524 8.5012 8.5012 8.5012 8.5012 k = 0.0000 0.4241 0.1739 ( 4724 PWs) bands (ev): -7.5240 -7.5240 -7.5240 -7.5240 -7.2111 -7.2111 -7.2111 -7.2111 -2.4445 -2.4445 -2.4445 -2.4445 -1.5944 -1.5944 -1.5944 -1.5944 2.9416 2.9416 2.9416 2.9416 3.2127 3.2127 3.2127 3.2127 3.5369 3.5369 3.5369 3.5369 3.8044 3.8044 3.8044 3.8044 5.3276 5.3276 5.3276 5.3276 5.8274 5.8274 5.8274 5.8274 7.7524 7.7524 7.7524 7.7524 8.5012 8.5012 8.5012 8.5012 k = 0.0000 0.4126 0.1739 ( 4736 PWs) bands (ev): -7.5299 -7.5299 -7.5299 -7.5299 -7.2056 -7.2056 -7.2056 -7.2056 -2.4454 -2.4454 -2.4454 -2.4454 -1.5896 -1.5896 -1.5896 -1.5896 2.9261 2.9261 2.9261 2.9261 3.2277 3.2277 3.2277 3.2277 3.5319 3.5319 3.5319 3.5319 3.8086 3.8086 3.8086 3.8086 5.3180 5.3180 5.3180 5.3180 5.8332 5.8332 5.8332 5.8332 7.7518 7.7518 7.7518 7.7518 8.5039 8.5039 8.5039 8.5039 k = 0.0000 0.4011 0.1739 ( 4740 PWs) bands (ev): -7.5465 -7.5465 -7.5465 -7.5465 -7.1904 -7.1904 -7.1904 -7.1904 -2.4479 -2.4479 -2.4479 -2.4479 -1.5754 -1.5754 -1.5754 -1.5754 2.8870 2.8870 2.8870 2.8870 3.2653 3.2653 3.2653 3.2653 3.5178 3.5178 3.5178 3.5178 3.8203 3.8203 3.8203 3.8203 5.2911 5.2911 5.2911 5.2911 5.8486 5.8486 5.8486 5.8486 7.7503 7.7503 7.7503 7.7503 8.5117 8.5117 8.5117 8.5117 k = 0.0000 0.3897 0.1739 ( 4736 PWs) bands (ev): -7.5711 -7.5711 -7.5711 -7.5711 -7.1679 -7.1679 -7.1679 -7.1679 -2.4517 -2.4517 -2.4517 -2.4517 -1.5522 -1.5522 -1.5522 -1.5522 2.8356 2.8356 2.8356 2.8356 3.3139 3.3139 3.3139 3.3139 3.4967 3.4967 3.4967 3.4967 3.8374 3.8374 3.8374 3.8374 5.2510 5.2510 5.2510 5.2510 5.8694 5.8694 5.8694 5.8694 7.7488 7.7488 7.7488 7.7488 8.5239 8.5239 8.5239 8.5239 k = 0.0000 0.3782 0.1739 ( 4736 PWs) bands (ev): -7.6013 -7.6013 -7.6013 -7.6013 -7.1408 -7.1408 -7.1408 -7.1408 -2.4562 -2.4562 -2.4562 -2.4562 -1.5206 -1.5206 -1.5206 -1.5206 2.7785 2.7785 2.7785 2.7785 3.3663 3.3663 3.3663 3.3663 3.4711 3.4711 3.4711 3.4711 3.8579 3.8579 3.8579 3.8579 5.2021 5.2021 5.2021 5.2021 5.8910 5.8910 5.8910 5.8910 7.7487 7.7487 7.7487 7.7487 8.5397 8.5397 8.5397 8.5397 k = 0.0000 0.3667 0.1739 ( 4740 PWs) bands (ev): -7.6350 -7.6350 -7.6350 -7.6350 -7.1110 -7.1110 -7.1110 -7.1110 -2.4609 -2.4609 -2.4609 -2.4609 -1.4812 -1.4812 -1.4812 -1.4812 2.7187 2.7187 2.7187 2.7187 3.4147 3.4147 3.4147 3.4147 3.4468 3.4468 3.4468 3.4468 3.8802 3.8802 3.8802 3.8802 5.1481 5.1481 5.1481 5.1481 5.9095 5.9095 5.9095 5.9095 7.7515 7.7515 7.7515 7.7515 8.5579 8.5579 8.5579 8.5579 k = 0.0000 0.3553 0.1739 ( 4738 PWs) bands (ev): -7.6710 -7.6710 -7.6710 -7.6710 -7.0799 -7.0799 -7.0799 -7.0799 -2.4649 -2.4649 -2.4649 -2.4649 -1.4349 -1.4349 -1.4349 -1.4349 2.6576 2.6576 2.6576 2.6576 3.4049 3.4049 3.4049 3.4049 3.4769 3.4769 3.4769 3.4769 3.9032 3.9032 3.9032 3.9032 5.0921 5.0921 5.0921 5.0921 5.9222 5.9222 5.9222 5.9222 7.7587 7.7587 7.7587 7.7587 8.5775 8.5775 8.5775 8.5775 k = 0.0000 0.3438 0.1739 ( 4740 PWs) bands (ev): -7.7082 -7.7082 -7.7082 -7.7082 -7.0484 -7.0484 -7.0484 -7.0484 -2.4677 -2.4677 -2.4677 -2.4677 -1.3822 -1.3822 -1.3822 -1.3822 2.5961 2.5961 2.5961 2.5961 3.3728 3.3728 3.3728 3.3728 3.5247 3.5247 3.5247 3.5247 3.9261 3.9261 3.9261 3.9261 5.0365 5.0365 5.0365 5.0365 5.9269 5.9269 5.9269 5.9269 7.7717 7.7717 7.7717 7.7717 8.5975 8.5975 8.5975 8.5975 k = 0.0000 0.3324 0.1739 ( 4738 PWs) bands (ev): -7.7462 -7.7462 -7.7462 -7.7462 -7.0170 -7.0170 -7.0170 -7.0170 -2.4689 -2.4689 -2.4689 -2.4689 -1.3238 -1.3238 -1.3238 -1.3238 2.5347 2.5347 2.5347 2.5347 3.3388 3.3388 3.3388 3.3388 3.5688 3.5688 3.5688 3.5688 3.9484 3.9484 3.9484 3.9484 4.9835 4.9835 4.9835 4.9835 5.9223 5.9223 5.9223 5.9223 7.7914 7.7914 7.7914 7.7914 8.6169 8.6169 8.6169 8.6169 k = 0.0000 0.3209 0.1739 ( 4732 PWs) bands (ev): -7.7845 -7.7845 -7.7845 -7.7845 -6.9862 -6.9862 -6.9862 -6.9862 -2.4678 -2.4678 -2.4678 -2.4678 -1.2604 -1.2604 -1.2604 -1.2604 2.4737 2.4737 2.4737 2.4737 3.3040 3.3040 3.3040 3.3040 3.6066 3.6066 3.6066 3.6066 3.9698 3.9698 3.9698 3.9698 4.9352 4.9352 4.9352 4.9352 5.9079 5.9079 5.9079 5.9079 7.8181 7.8181 7.8181 7.8181 8.6351 8.6351 8.6351 8.6351 k = 0.0000 0.3094 0.1739 ( 4734 PWs) bands (ev): -7.8228 -7.8228 -7.8228 -7.8228 -6.9563 -6.9563 -6.9563 -6.9563 -2.4641 -2.4641 -2.4641 -2.4641 -1.1925 -1.1925 -1.1925 -1.1925 2.4132 2.4132 2.4132 2.4132 3.2689 3.2689 3.2689 3.2689 3.6364 3.6364 3.6364 3.6364 3.9901 3.9901 3.9901 3.9901 4.8937 4.8937 4.8937 4.8937 5.8836 5.8836 5.8836 5.8836 7.8520 7.8520 7.8520 7.8520 8.6516 8.6516 8.6516 8.6516 k = 0.0000 0.2980 0.1739 ( 4742 PWs) bands (ev): -7.8608 -7.8608 -7.8608 -7.8608 -6.9275 -6.9275 -6.9275 -6.9275 -2.4576 -2.4576 -2.4576 -2.4576 -1.1205 -1.1205 -1.1205 -1.1205 2.3535 2.3535 2.3535 2.3535 3.2339 3.2339 3.2339 3.2339 3.6564 3.6564 3.6564 3.6564 4.0090 4.0090 4.0090 4.0090 4.8607 4.8607 4.8607 4.8607 5.8499 5.8499 5.8499 5.8499 7.8923 7.8923 7.8923 7.8923 8.6661 8.6661 8.6661 8.6661 k = 0.0000 0.2865 0.1739 ( 4742 PWs) bands (ev): -7.8983 -7.8983 -7.8983 -7.8983 -6.9001 -6.9001 -6.9001 -6.9001 -2.4481 -2.4481 -2.4481 -2.4481 -1.0449 -1.0449 -1.0449 -1.0449 2.2945 2.2945 2.2945 2.2945 3.1990 3.1990 3.1990 3.1990 3.6653 3.6653 3.6653 3.6653 4.0265 4.0265 4.0265 4.0265 4.8376 4.8376 4.8376 4.8376 5.8076 5.8076 5.8076 5.8076 7.9384 7.9384 7.9384 7.9384 8.6784 8.6784 8.6784 8.6784 k = 0.0000 0.2751 0.1739 ( 4730 PWs) bands (ev): -7.9351 -7.9351 -7.9351 -7.9351 -6.8740 -6.8740 -6.8740 -6.8740 -2.4354 -2.4354 -2.4354 -2.4354 -0.9660 -0.9660 -0.9660 -0.9660 2.2364 2.2364 2.2364 2.2364 3.1645 3.1645 3.1645 3.1645 3.6623 3.6623 3.6623 3.6623 4.0425 4.0425 4.0425 4.0425 4.8252 4.8252 4.8252 4.8252 5.7578 5.7578 5.7578 5.7578 7.9890 7.9890 7.9890 7.9890 8.6886 8.6886 8.6886 8.6886 k = 0.0000 0.2636 0.1739 ( 4716 PWs) bands (ev): -7.9712 -7.9712 -7.9712 -7.9712 -6.8495 -6.8495 -6.8495 -6.8495 -2.4195 -2.4195 -2.4195 -2.4195 -0.8842 -0.8842 -0.8842 -0.8842 2.1792 2.1792 2.1792 2.1792 3.1306 3.1306 3.1306 3.1306 3.6473 3.6473 3.6473 3.6473 4.0570 4.0570 4.0570 4.0570 4.8230 4.8230 4.8230 4.8230 5.7019 5.7019 5.7019 5.7019 8.0428 8.0428 8.0428 8.0428 8.6967 8.6967 8.6967 8.6967 k = 0.0000 0.2521 0.1739 ( 4714 PWs) bands (ev): -8.0064 -8.0064 -8.0064 -8.0064 -6.8266 -6.8266 -6.8266 -6.8266 -2.4004 -2.4004 -2.4004 -2.4004 -0.7999 -0.7999 -0.7999 -0.7999 2.1230 2.1230 2.1230 2.1230 3.0974 3.0974 3.0974 3.0974 3.6212 3.6212 3.6212 3.6212 4.0700 4.0700 4.0700 4.0700 4.8298 4.8298 4.8298 4.8298 5.6416 5.6416 5.6416 5.6416 8.0984 8.0984 8.0984 8.0984 8.7032 8.7032 8.7032 8.7032 k = 0.0000 0.2407 0.1739 ( 4714 PWs) bands (ev): -8.0405 -8.0405 -8.0405 -8.0405 -6.8052 -6.8052 -6.8052 -6.8052 -2.3781 -2.3781 -2.3781 -2.3781 -0.7133 -0.7133 -0.7133 -0.7133 2.0676 2.0676 2.0676 2.0676 3.0649 3.0649 3.0649 3.0649 3.5854 3.5854 3.5854 3.5854 4.0817 4.0817 4.0817 4.0817 4.8431 4.8431 4.8431 4.8431 5.5788 5.5788 5.5788 5.5788 8.1543 8.1543 8.1543 8.1543 8.7083 8.7083 8.7083 8.7083 k = 0.0000 0.2292 0.1739 ( 4722 PWs) bands (ev): -8.0736 -8.0736 -8.0736 -8.0736 -6.7855 -6.7855 -6.7855 -6.7855 -2.3528 -2.3528 -2.3528 -2.3528 -0.6249 -0.6249 -0.6249 -0.6249 2.0132 2.0132 2.0132 2.0132 3.0334 3.0334 3.0334 3.0334 3.5417 3.5417 3.5417 3.5417 4.0920 4.0920 4.0920 4.0920 4.8596 4.8596 4.8596 4.8596 5.5159 5.5159 5.5159 5.5159 8.2088 8.2088 8.2088 8.2088 8.7126 8.7126 8.7126 8.7126 k = 0.0000 0.2178 0.1739 ( 4712 PWs) bands (ev): -8.1054 -8.1054 -8.1054 -8.1054 -6.7674 -6.7674 -6.7674 -6.7674 -2.3246 -2.3246 -2.3246 -2.3246 -0.5348 -0.5348 -0.5348 -0.5348 1.9597 1.9597 1.9597 1.9597 3.0029 3.0029 3.0029 3.0029 3.4920 3.4920 3.4920 3.4920 4.1010 4.1010 4.1010 4.1010 4.8749 4.8749 4.8749 4.8749 5.4566 5.4566 5.4566 5.4566 8.2603 8.2603 8.2603 8.2603 8.7166 8.7166 8.7166 8.7166 k = 0.0000 0.2063 0.1739 ( 4716 PWs) bands (ev): -8.1360 -8.1360 -8.1360 -8.1360 -6.7508 -6.7508 -6.7508 -6.7508 -2.2938 -2.2938 -2.2938 -2.2938 -0.4435 -0.4435 -0.4435 -0.4435 1.9071 1.9071 1.9071 1.9071 2.9734 2.9734 2.9734 2.9734 3.4379 3.4379 3.4379 3.4379 4.1088 4.1088 4.1088 4.1088 4.8832 4.8832 4.8832 4.8832 5.4057 5.4057 5.4057 5.4057 8.3072 8.3072 8.3072 8.3072 8.7208 8.7208 8.7208 8.7208 k = 0.0000 0.1948 0.1739 ( 4712 PWs) bands (ev): -8.1653 -8.1653 -8.1653 -8.1653 -6.7358 -6.7358 -6.7358 -6.7358 -2.2606 -2.2606 -2.2606 -2.2606 -0.3512 -0.3512 -0.3512 -0.3512 1.8554 1.8554 1.8554 1.8554 2.9452 2.9452 2.9452 2.9452 3.3811 3.3811 3.3811 3.3811 4.1155 4.1155 4.1155 4.1155 4.8781 4.8781 4.8781 4.8781 5.3689 5.3689 5.3689 5.3689 8.3481 8.3481 8.3481 8.3481 8.7255 8.7255 8.7255 8.7255 k = 0.0000 0.1834 0.1739 ( 4712 PWs) bands (ev): -8.1932 -8.1932 -8.1932 -8.1932 -6.7222 -6.7222 -6.7222 -6.7222 -2.2254 -2.2254 -2.2254 -2.2254 -0.2583 -0.2583 -0.2583 -0.2583 1.8046 1.8046 1.8046 1.8046 2.9181 2.9181 2.9181 2.9181 3.3228 3.3228 3.3228 3.3228 4.1211 4.1211 4.1211 4.1211 4.8544 4.8544 4.8544 4.8544 5.3509 5.3509 5.3509 5.3509 8.3820 8.3820 8.3820 8.3820 8.7307 8.7307 8.7307 8.7307 k = 0.0000 0.1719 0.1739 ( 4712 PWs) bands (ev): -8.2196 -8.2196 -8.2196 -8.2196 -6.7100 -6.7100 -6.7100 -6.7100 -2.1884 -2.1884 -2.1884 -2.1884 -0.1652 -0.1652 -0.1652 -0.1652 1.7546 1.7546 1.7546 1.7546 2.8924 2.8924 2.8924 2.8924 3.2641 3.2641 3.2641 3.2641 4.1258 4.1258 4.1258 4.1258 4.8115 4.8115 4.8115 4.8115 5.3521 5.3521 5.3521 5.3521 8.4084 8.4084 8.4084 8.4084 8.7361 8.7361 8.7361 8.7361 k = 0.0000 0.1605 0.1739 ( 4714 PWs) bands (ev): -8.2445 -8.2445 -8.2445 -8.2445 -6.6992 -6.6992 -6.6992 -6.6992 -2.1502 -2.1502 -2.1502 -2.1502 -0.0723 -0.0723 -0.0723 -0.0723 1.7054 1.7054 1.7054 1.7054 2.8680 2.8680 2.8680 2.8680 3.2062 3.2062 3.2062 3.2062 4.1295 4.1295 4.1295 4.1295 4.7531 4.7531 4.7531 4.7531 5.3685 5.3685 5.3685 5.3685 8.4278 8.4278 8.4278 8.4278 8.7406 8.7406 8.7406 8.7406 k = 0.0000 0.1490 0.1739 ( 4714 PWs) bands (ev): -8.2679 -8.2679 -8.2679 -8.2679 -6.6896 -6.6896 -6.6896 -6.6896 -2.1111 -2.1111 -2.1111 -2.1111 0.0201 0.0201 0.0201 0.0201 1.6571 1.6571 1.6571 1.6571 2.8450 2.8450 2.8450 2.8450 3.1497 3.1497 3.1497 3.1497 4.1324 4.1324 4.1324 4.1324 4.6845 4.6845 4.6845 4.6845 5.3948 5.3948 5.3948 5.3948 8.4410 8.4410 8.4410 8.4410 8.7434 8.7434 8.7434 8.7434 k = 0.0000 0.1375 0.1739 ( 4712 PWs) bands (ev): -8.2897 -8.2897 -8.2897 -8.2897 -6.6811 -6.6811 -6.6811 -6.6811 -2.0716 -2.0716 -2.0716 -2.0716 0.1114 0.1114 0.1114 0.1114 1.6097 1.6097 1.6097 1.6097 2.8234 2.8234 2.8234 2.8234 3.0954 3.0954 3.0954 3.0954 4.1344 4.1344 4.1344 4.1344 4.6101 4.6101 4.6101 4.6101 5.4267 5.4267 5.4267 5.4267 8.4493 8.4493 8.4493 8.4493 8.7436 8.7436 8.7436 8.7436 k = 0.0000 0.1261 0.1739 ( 4710 PWs) bands (ev): -8.3099 -8.3099 -8.3099 -8.3099 -6.6737 -6.6737 -6.6737 -6.6737 -2.0322 -2.0322 -2.0322 -2.0322 0.2012 0.2012 0.2012 0.2012 1.5631 1.5631 1.5631 1.5631 2.8033 2.8033 2.8033 2.8033 3.0440 3.0440 3.0440 3.0440 4.1358 4.1358 4.1358 4.1358 4.5332 4.5332 4.5332 4.5332 5.4613 5.4613 5.4613 5.4613 8.4537 8.4537 8.4537 8.4537 8.7408 8.7408 8.7408 8.7408 k = 0.0000 0.1146 0.1739 ( 4718 PWs) bands (ev): -8.3285 -8.3285 -8.3285 -8.3285 -6.6673 -6.6673 -6.6673 -6.6673 -1.9934 -1.9934 -1.9934 -1.9934 0.2889 0.2889 0.2889 0.2889 1.5175 1.5175 1.5175 1.5175 2.7846 2.7846 2.7846 2.7846 2.9960 2.9960 2.9960 2.9960 4.1363 4.1363 4.1363 4.1363 4.4563 4.4563 4.4563 4.4563 5.4965 5.4965 5.4965 5.4965 8.4555 8.4555 8.4555 8.4555 8.7352 8.7352 8.7352 8.7352 k = 0.0000 0.1031 0.1739 ( 4718 PWs) bands (ev): -8.3453 -8.3453 -8.3453 -8.3453 -6.6617 -6.6617 -6.6617 -6.6617 -1.9559 -1.9559 -1.9559 -1.9559 0.3740 0.3740 0.3740 0.3740 1.4730 1.4730 1.4730 1.4730 2.7674 2.7674 2.7674 2.7674 2.9518 2.9518 2.9518 2.9518 4.1359 4.1359 4.1359 4.1359 4.3814 4.3814 4.3814 4.3814 5.5309 5.5309 5.5309 5.5309 8.4554 8.4554 8.4554 8.4554 8.7272 8.7272 8.7272 8.7272 k = 0.0000 0.0917 0.1739 ( 4724 PWs) bands (ev): -8.3605 -8.3605 -8.3605 -8.3605 -6.6570 -6.6570 -6.6570 -6.6570 -1.9202 -1.9202 -1.9202 -1.9202 0.4559 0.4559 0.4559 0.4559 1.4295 1.4295 1.4295 1.4295 2.7517 2.7517 2.7517 2.7517 2.9119 2.9119 2.9119 2.9119 4.1340 4.1340 4.1340 4.1340 4.3107 4.3107 4.3107 4.3107 5.5635 5.5635 5.5635 5.5635 8.4541 8.4541 8.4541 8.4541 8.7175 8.7175 8.7175 8.7175 k = 0.0000 0.0802 0.1739 ( 4728 PWs) bands (ev): -8.3739 -8.3739 -8.3739 -8.3739 -6.6530 -6.6530 -6.6530 -6.6530 -1.8869 -1.8869 -1.8869 -1.8869 0.5339 0.5339 0.5339 0.5339 1.3873 1.3873 1.3873 1.3873 2.7376 2.7376 2.7376 2.7376 2.8766 2.8766 2.8766 2.8766 4.1290 4.1290 4.1290 4.1290 4.2473 4.2473 4.2473 4.2473 5.5936 5.5936 5.5936 5.5936 8.4522 8.4522 8.4522 8.4522 8.7070 8.7070 8.7070 8.7070 k = 0.0000 0.0688 0.1739 ( 4734 PWs) bands (ev): -8.3856 -8.3856 -8.3856 -8.3856 -6.6497 -6.6497 -6.6497 -6.6497 -1.8566 -1.8566 -1.8566 -1.8566 0.6072 0.6072 0.6072 0.6072 1.3466 1.3466 1.3466 1.3466 2.7249 2.7249 2.7249 2.7249 2.8462 2.8462 2.8462 2.8462 4.1160 4.1160 4.1160 4.1160 4.1974 4.1974 4.1974 4.1974 5.6207 5.6207 5.6207 5.6207 8.4501 8.4501 8.4501 8.4501 8.6963 8.6963 8.6963 8.6963 k = 0.0000 0.0573 0.1739 ( 4726 PWs) bands (ev): -8.3955 -8.3955 -8.3955 -8.3955 -6.6471 -6.6471 -6.6471 -6.6471 -1.8297 -1.8297 -1.8297 -1.8297 0.6752 0.6752 0.6752 0.6752 1.3075 1.3075 1.3075 1.3075 2.7138 2.7138 2.7138 2.7138 2.8207 2.8207 2.8207 2.8207 4.0874 4.0874 4.0874 4.0874 4.1701 4.1701 4.1701 4.1701 5.6442 5.6442 5.6442 5.6442 8.4479 8.4479 8.4479 8.4479 8.6862 8.6862 8.6862 8.6862 k = 0.0000 0.0458 0.1739 ( 4726 PWs) bands (ev): -8.4036 -8.4036 -8.4036 -8.4036 -6.6449 -6.6449 -6.6449 -6.6449 -1.8070 -1.8070 -1.8070 -1.8070 0.7366 0.7366 0.7366 0.7366 1.2706 1.2706 1.2706 1.2706 2.7043 2.7043 2.7043 2.7043 2.8002 2.8002 2.8002 2.8002 4.0500 4.0500 4.0500 4.0500 4.1597 4.1597 4.1597 4.1597 5.6639 5.6639 5.6639 5.6639 8.4459 8.4459 8.4459 8.4459 8.6771 8.6771 8.6771 8.6771 k = 0.0000 0.0344 0.1739 ( 4736 PWs) bands (ev): -8.4099 -8.4099 -8.4099 -8.4099 -6.6433 -6.6433 -6.6433 -6.6433 -1.7888 -1.7888 -1.7888 -1.7888 0.7900 0.7900 0.7900 0.7900 1.2369 1.2369 1.2369 1.2369 2.6966 2.6966 2.6966 2.6966 2.7846 2.7846 2.7846 2.7846 4.0156 4.0156 4.0156 4.0156 4.1554 4.1554 4.1554 4.1554 5.6795 5.6795 5.6795 5.6795 8.4442 8.4442 8.4442 8.4442 8.6697 8.6697 8.6697 8.6697 k = 0.0000 0.0229 0.1739 ( 4726 PWs) bands (ev): -8.4145 -8.4145 -8.4145 -8.4145 -6.6422 -6.6422 -6.6422 -6.6422 -1.7754 -1.7754 -1.7754 -1.7754 0.8329 0.8329 0.8329 0.8329 1.2084 1.2084 1.2084 1.2084 2.6908 2.6908 2.6908 2.6908 2.7737 2.7737 2.7737 2.7737 3.9893 3.9893 3.9893 3.9893 4.1534 4.1534 4.1534 4.1534 5.6907 5.6907 5.6907 5.6907 8.4429 8.4429 8.4429 8.4429 8.6641 8.6641 8.6641 8.6641 k = 0.0000 0.0115 0.1739 ( 4732 PWs) bands (ev): -8.4172 -8.4172 -8.4172 -8.4172 -6.6415 -6.6415 -6.6415 -6.6415 -1.7673 -1.7673 -1.7673 -1.7673 0.8618 0.8618 0.8618 0.8618 1.1883 1.1883 1.1883 1.1883 2.6873 2.6873 2.6873 2.6873 2.7672 2.7672 2.7672 2.7672 3.9729 3.9729 3.9729 3.9729 4.1525 4.1525 4.1525 4.1525 5.6976 5.6976 5.6976 5.6976 8.4422 8.4422 8.4422 8.4422 8.6607 8.6607 8.6607 8.6607 k = 0.0000 0.0000 0.1739 ( 4744 PWs) bands (ev): -8.4181 -8.4181 -8.4181 -8.4181 -6.6413 -6.6413 -6.6413 -6.6413 -1.7646 -1.7646 -1.7646 -1.7646 0.8722 0.8722 0.8722 0.8722 1.1809 1.1809 1.1809 1.1809 2.6861 2.6861 2.6861 2.6861 2.7651 2.7651 2.7651 2.7651 3.9673 3.9673 3.9673 3.9673 4.1522 4.1522 4.1522 4.1522 5.6998 5.6998 5.6998 5.6998 8.4419 8.4419 8.4419 8.4419 8.6595 8.6595 8.6595 8.6595 k = 0.0000 0.4241-0.0000 ( 4716 PWs) bands (ev): -7.5335 -7.5335 -7.5335 -7.5335 -7.1979 -7.1979 -7.1979 -7.1979 -2.5985 -2.5985 -2.5985 -2.5985 -1.3137 -1.3137 -1.3137 -1.3137 2.0085 2.0085 2.0085 2.0085 3.5298 3.5298 3.5298 3.5298 3.8109 3.8109 3.8109 3.8109 4.3938 4.3938 4.3938 4.3938 5.1015 5.1015 5.1015 5.1015 5.8613 5.8613 5.8613 5.8613 7.7701 7.7701 7.7701 7.7701 8.6488 8.6488 8.6488 8.6488 k = 0.0000 0.4241 0.0116 ( 4720 PWs) bands (ev): -7.5334 -7.5334 -7.5334 -7.5334 -7.1980 -7.1980 -7.1980 -7.1980 -2.5971 -2.5971 -2.5971 -2.5971 -1.3166 -1.3166 -1.3166 -1.3166 2.0145 2.0145 2.0145 2.0145 3.5299 3.5299 3.5299 3.5299 3.8108 3.8108 3.8108 3.8108 4.3829 4.3829 4.3829 4.3829 5.1062 5.1062 5.1062 5.1062 5.8610 5.8610 5.8610 5.8610 7.7693 7.7693 7.7693 7.7693 8.6455 8.6455 8.6455 8.6455 k = 0.0000 0.4241 0.0232 ( 4718 PWs) bands (ev): -7.5331 -7.5331 -7.5331 -7.5331 -7.1984 -7.1984 -7.1984 -7.1984 -2.5930 -2.5930 -2.5930 -2.5930 -1.3252 -1.3252 -1.3252 -1.3252 2.0323 2.0323 2.0323 2.0323 3.5300 3.5300 3.5300 3.5300 3.8105 3.8105 3.8105 3.8105 4.3513 4.3513 4.3513 4.3513 5.1193 5.1193 5.1193 5.1193 5.8602 5.8602 5.8602 5.8602 7.7671 7.7671 7.7671 7.7671 8.6367 8.6367 8.6367 8.6367 k = 0.0000 0.4241 0.0348 ( 4720 PWs) bands (ev): -7.5326 -7.5326 -7.5326 -7.5326 -7.1991 -7.1991 -7.1991 -7.1991 -2.5863 -2.5863 -2.5863 -2.5863 -1.3391 -1.3391 -1.3391 -1.3391 2.0616 2.0616 2.0616 2.0616 3.5303 3.5303 3.5303 3.5303 3.8101 3.8101 3.8101 3.8101 4.3014 4.3014 4.3014 4.3014 5.1385 5.1385 5.1385 5.1385 5.8589 5.8589 5.8589 5.8589 7.7639 7.7639 7.7639 7.7639 8.6243 8.6243 8.6243 8.6243 k = 0.0000 0.4241 0.0464 ( 4726 PWs) bands (ev): -7.5320 -7.5320 -7.5320 -7.5320 -7.2000 -7.2000 -7.2000 -7.2000 -2.5771 -2.5771 -2.5771 -2.5771 -1.3577 -1.3577 -1.3577 -1.3577 2.1020 2.1020 2.1020 2.1020 3.5307 3.5307 3.5307 3.5307 3.8094 3.8094 3.8094 3.8094 4.2365 4.2365 4.2365 4.2365 5.1615 5.1615 5.1615 5.1615 5.8570 5.8570 5.8570 5.8570 7.7602 7.7602 7.7602 7.7602 8.6102 8.6102 8.6102 8.6102 k = 0.0000 0.4241 0.0580 ( 4730 PWs) bands (ev): -7.5312 -7.5312 -7.5312 -7.5312 -7.2011 -7.2011 -7.2011 -7.2011 -2.5657 -2.5657 -2.5657 -2.5657 -1.3804 -1.3804 -1.3804 -1.3804 2.1527 2.1527 2.1527 2.1527 3.5312 3.5312 3.5312 3.5312 3.8086 3.8086 3.8086 3.8086 4.1596 4.1596 4.1596 4.1596 5.1859 5.1859 5.1859 5.1859 5.8546 5.8546 5.8546 5.8546 7.7565 7.7565 7.7565 7.7565 8.5954 8.5954 8.5954 8.5954 k = 0.0000 0.4241 0.0696 ( 4734 PWs) bands (ev): -7.5303 -7.5303 -7.5303 -7.5303 -7.2024 -7.2024 -7.2024 -7.2024 -2.5524 -2.5524 -2.5524 -2.5524 -1.4062 -1.4062 -1.4062 -1.4062 2.2131 2.2131 2.2131 2.2131 3.5317 3.5317 3.5317 3.5317 3.8076 3.8076 3.8076 3.8076 4.0732 4.0732 4.0732 4.0732 5.2101 5.2101 5.2101 5.2101 5.8518 5.8518 5.8518 5.8518 7.7532 7.7532 7.7532 7.7532 8.5808 8.5808 8.5808 8.5808 k = 0.0000 0.4241 0.0812 ( 4734 PWs) bands (ev): -7.5293 -7.5293 -7.5293 -7.5293 -7.2037 -7.2037 -7.2037 -7.2037 -2.5376 -2.5376 -2.5376 -2.5376 -1.4342 -1.4342 -1.4342 -1.4342 2.2822 2.2822 2.2822 2.2822 3.5323 3.5323 3.5323 3.5323 3.8062 3.8062 3.8062 3.8062 3.9795 3.9795 3.9795 3.9795 5.2332 5.2332 5.2332 5.2332 5.8485 5.8485 5.8485 5.8485 7.7508 7.7508 7.7508 7.7508 8.5666 8.5666 8.5666 8.5666 k = 0.0000 0.4241 0.0928 ( 4744 PWs) bands (ev): -7.5283 -7.5283 -7.5283 -7.5283 -7.2051 -7.2051 -7.2051 -7.2051 -2.5218 -2.5218 -2.5218 -2.5218 -1.4631 -1.4631 -1.4631 -1.4631 2.3592 2.3592 2.3592 2.3592 3.5328 3.5328 3.5328 3.5328 3.8029 3.8029 3.8029 3.8029 3.8819 3.8819 3.8819 3.8819 5.2543 5.2543 5.2543 5.2543 5.8450 5.8450 5.8450 5.8450 7.7493 7.7493 7.7493 7.7493 8.5531 8.5531 8.5531 8.5531 k = 0.0000 0.4241 0.1044 ( 4744 PWs) bands (ev): -7.5274 -7.5274 -7.5274 -7.5274 -7.2064 -7.2064 -7.2064 -7.2064 -2.5057 -2.5057 -2.5057 -2.5057 -1.4919 -1.4919 -1.4919 -1.4919 2.4429 2.4429 2.4429 2.4429 3.5332 3.5332 3.5332 3.5332 3.7654 3.7654 3.7654 3.7654 3.8143 3.8143 3.8143 3.8143 5.2732 5.2732 5.2732 5.2732 5.8413 5.8413 5.8413 5.8413 7.7487 7.7487 7.7487 7.7487 8.5407 8.5407 8.5407 8.5407 k = 0.0000 0.4241 0.1160 ( 4736 PWs) bands (ev): -7.5264 -7.5264 -7.5264 -7.5264 -7.2077 -7.2077 -7.2077 -7.2077 -2.4899 -2.4899 -2.4899 -2.4899 -1.5194 -1.5194 -1.5194 -1.5194 2.5325 2.5325 2.5325 2.5325 3.5331 3.5331 3.5331 3.5331 3.6641 3.6641 3.6641 3.6641 3.8080 3.8080 3.8080 3.8080 5.2895 5.2895 5.2895 5.2895 5.8377 5.8377 5.8377 5.8377 7.7489 7.7489 7.7489 7.7489 8.5295 8.5295 8.5295 8.5295 k = 0.0000 0.4241 0.1276 ( 4742 PWs) bands (ev): -7.5256 -7.5256 -7.5256 -7.5256 -7.2089 -7.2089 -7.2089 -7.2089 -2.4752 -2.4752 -2.4752 -2.4752 -1.5442 -1.5442 -1.5442 -1.5442 2.6263 2.6263 2.6263 2.6263 3.5279 3.5279 3.5279 3.5279 3.5620 3.5620 3.5620 3.5620 3.8064 3.8064 3.8064 3.8064 5.3030 5.3030 5.3030 5.3030 5.8344 5.8344 5.8344 5.8344 7.7496 7.7496 7.7496 7.7496 8.5198 8.5198 8.5198 8.5198 k = 0.0000 0.4241 0.1391 ( 4730 PWs) bands (ev): -7.5249 -7.5249 -7.5249 -7.5249 -7.2098 -7.2098 -7.2098 -7.2098 -2.4626 -2.4626 -2.4626 -2.4626 -1.5651 -1.5651 -1.5651 -1.5651 2.7227 2.7227 2.7227 2.7227 3.4450 3.4450 3.4450 3.4450 3.5377 3.5377 3.5377 3.5377 3.8055 3.8055 3.8055 3.8055 5.3137 5.3137 5.3137 5.3137 5.8315 5.8315 5.8315 5.8315 7.7506 7.7506 7.7506 7.7506 8.5119 8.5119 8.5119 8.5119 k = 0.0000 0.4241 0.1507 ( 4736 PWs) bands (ev): -7.5244 -7.5244 -7.5244 -7.5244 -7.2105 -7.2105 -7.2105 -7.2105 -2.4528 -2.4528 -2.4528 -2.4528 -1.5810 -1.5810 -1.5810 -1.5810 2.8178 2.8178 2.8178 2.8178 3.3428 3.3428 3.3428 3.3428 3.5369 3.5369 3.5369 3.5369 3.8049 3.8049 3.8049 3.8049 5.3214 5.3214 5.3214 5.3214 5.8293 5.8293 5.8293 5.8293 7.7515 7.7515 7.7515 7.7515 8.5060 8.5060 8.5060 8.5060 k = 0.0000 0.4241 0.1623 ( 4736 PWs) bands (ev): -7.5241 -7.5241 -7.5241 -7.5241 -7.2109 -7.2109 -7.2109 -7.2109 -2.4466 -2.4466 -2.4466 -2.4466 -1.5910 -1.5910 -1.5910 -1.5910 2.9016 2.9016 2.9016 2.9016 3.2543 3.2543 3.2543 3.2543 3.5369 3.5369 3.5369 3.5369 3.8046 3.8046 3.8046 3.8046 5.3260 5.3260 5.3260 5.3260 5.8279 5.8279 5.8279 5.8279 7.7522 7.7522 7.7522 7.7522 8.5024 8.5024 8.5024 8.5024 k = 0.0000 0.4241 0.1739 ( 4724 PWs) bands (ev): -7.5240 -7.5240 -7.5240 -7.5240 -7.2111 -7.2111 -7.2111 -7.2111 -2.4445 -2.4445 -2.4445 -2.4445 -1.5944 -1.5944 -1.5944 -1.5944 2.9416 2.9416 2.9416 2.9416 3.2127 3.2127 3.2127 3.2127 3.5369 3.5369 3.5369 3.5369 3.8044 3.8044 3.8044 3.8044 5.3276 5.3276 5.3276 5.3276 5.8274 5.8274 5.8274 5.8274 7.7524 7.7524 7.7524 7.7524 8.5012 8.5012 8.5012 8.5012 k = 0.5000-0.0000 0.1739 ( 4708 PWs) bands (ev): -6.8049 -6.8049 -6.8049 -6.8049 -6.8041 -6.8041 -6.8041 -6.8041 -2.2898 -2.2898 -2.2898 -2.2898 -2.2892 -2.2892 -2.2892 -2.2892 2.5370 2.5370 2.5370 2.5370 2.5415 2.5415 2.5415 2.5415 3.5343 3.5343 3.5343 3.5343 3.5403 3.5403 3.5403 3.5403 4.5543 4.5543 4.5543 4.5543 4.5658 4.5658 4.5658 4.5658 7.8568 7.8568 7.8568 7.8568 7.8952 7.8952 7.8952 7.8952 k = 0.5000-0.0000 0.1623 ( 4712 PWs) bands (ev): -6.8110 -6.8110 -6.8110 -6.8110 -6.7979 -6.7979 -6.7979 -6.7979 -2.3252 -2.3252 -2.3252 -2.3252 -2.2532 -2.2532 -2.2532 -2.2532 2.4996 2.4996 2.4996 2.4996 2.5765 2.5765 2.5765 2.5765 3.5065 3.5065 3.5065 3.5065 3.5684 3.5684 3.5684 3.5684 4.5502 4.5502 4.5502 4.5502 4.5739 4.5739 4.5739 4.5739 7.8531 7.8531 7.8531 7.8531 7.8923 7.8923 7.8923 7.8923 k = 0.5000-0.0000 0.1507 ( 4718 PWs) bands (ev): -6.8175 -6.8175 -6.8175 -6.8175 -6.7913 -6.7913 -6.7913 -6.7913 -2.3600 -2.3600 -2.3600 -2.3600 -2.2167 -2.2167 -2.2167 -2.2167 2.4583 2.4583 2.4583 2.4583 2.6111 2.6111 2.6111 2.6111 3.4768 3.4768 3.4768 3.4768 3.5988 3.5988 3.5988 3.5988 4.5462 4.5462 4.5462 4.5462 4.5899 4.5899 4.5899 4.5899 7.8424 7.8424 7.8424 7.8424 7.8835 7.8835 7.8835 7.8835 k = 0.5000-0.0000 0.1391 ( 4712 PWs) bands (ev): -6.8237 -6.8237 -6.8237 -6.8237 -6.7848 -6.7848 -6.7848 -6.7848 -2.3935 -2.3935 -2.3935 -2.3935 -2.1803 -2.1803 -2.1803 -2.1803 2.4156 2.4156 2.4156 2.4156 2.6428 2.6428 2.6428 2.6428 3.4486 3.4486 3.4486 3.4486 3.6281 3.6281 3.6281 3.6281 4.5447 4.5447 4.5447 4.5447 4.6109 4.6109 4.6109 4.6109 7.8255 7.8255 7.8255 7.8255 7.8695 7.8695 7.8695 7.8695 k = 0.5000-0.0000 0.1276 ( 4712 PWs) bands (ev): -6.8297 -6.8297 -6.8297 -6.8297 -6.7785 -6.7785 -6.7785 -6.7785 -2.4255 -2.4255 -2.4255 -2.4255 -2.1446 -2.1446 -2.1446 -2.1446 2.3723 2.3723 2.3723 2.3723 2.6717 2.6717 2.6717 2.6717 3.4222 3.4222 3.4222 3.4222 3.6555 3.6555 3.6555 3.6555 4.5456 4.5456 4.5456 4.5456 4.6365 4.6365 4.6365 4.6365 7.8038 7.8038 7.8038 7.8038 7.8511 7.8511 7.8511 7.8511 k = 0.5000-0.0000 0.1160 ( 4720 PWs) bands (ev): -6.8354 -6.8354 -6.8354 -6.8354 -6.7725 -6.7725 -6.7725 -6.7725 -2.4556 -2.4556 -2.4556 -2.4556 -2.1098 -2.1098 -2.1098 -2.1098 2.3290 2.3290 2.3290 2.3290 2.6976 2.6976 2.6976 2.6976 3.3979 3.3979 3.3979 3.3979 3.6805 3.6805 3.6805 3.6805 4.5484 4.5484 4.5484 4.5484 4.6664 4.6664 4.6664 4.6664 7.7787 7.7787 7.7787 7.7787 7.8292 7.8292 7.8292 7.8292 k = 0.5000-0.0000 0.1044 ( 4724 PWs) bands (ev): -6.8407 -6.8407 -6.8407 -6.8407 -6.7667 -6.7667 -6.7667 -6.7667 -2.4837 -2.4837 -2.4837 -2.4837 -2.0766 -2.0766 -2.0766 -2.0766 2.2866 2.2866 2.2866 2.2866 2.7206 2.7206 2.7206 2.7206 3.3760 3.3760 3.3760 3.3760 3.7027 3.7027 3.7027 3.7027 4.5526 4.5526 4.5526 4.5526 4.6998 4.6998 4.6998 4.6998 7.7517 7.7517 7.7517 7.7517 7.8050 7.8050 7.8050 7.8050 k = 0.5000-0.0000 0.0928 ( 4728 PWs) bands (ev): -6.8456 -6.8456 -6.8456 -6.8456 -6.7614 -6.7614 -6.7614 -6.7614 -2.5094 -2.5094 -2.5094 -2.5094 -2.0452 -2.0452 -2.0452 -2.0452 2.2460 2.2460 2.2460 2.2460 2.7407 2.7407 2.7407 2.7407 3.3564 3.3564 3.3564 3.3564 3.7219 3.7219 3.7219 3.7219 4.5577 4.5577 4.5577 4.5577 4.7357 4.7357 4.7357 4.7357 7.7240 7.7240 7.7240 7.7240 7.7794 7.7794 7.7794 7.7794 k = 0.5000-0.0000 0.0812 ( 4732 PWs) bands (ev): -6.8501 -6.8501 -6.8501 -6.8501 -6.7565 -6.7565 -6.7565 -6.7565 -2.5325 -2.5325 -2.5325 -2.5325 -2.0162 -2.0162 -2.0162 -2.0162 2.2078 2.2078 2.2078 2.2078 2.7582 2.7582 2.7582 2.7582 3.3393 3.3393 3.3393 3.3393 3.7382 3.7382 3.7382 3.7382 4.5634 4.5634 4.5634 4.5634 4.7729 4.7729 4.7729 4.7729 7.6969 7.6969 7.6969 7.6969 7.7533 7.7533 7.7533 7.7533 k = 0.5000-0.0000 0.0696 ( 4738 PWs) bands (ev): -6.8540 -6.8540 -6.8540 -6.8540 -6.7521 -6.7521 -6.7521 -6.7521 -2.5530 -2.5530 -2.5530 -2.5530 -1.9900 -1.9900 -1.9900 -1.9900 2.1729 2.1729 2.1729 2.1729 2.7731 2.7731 2.7731 2.7731 3.3246 3.3246 3.3246 3.3246 3.7516 3.7516 3.7516 3.7516 4.5691 4.5691 4.5691 4.5691 4.8099 4.8099 4.8099 4.8099 7.6714 7.6714 7.6714 7.6714 7.7279 7.7279 7.7279 7.7279 k = 0.5000-0.0000 0.0580 ( 4748 PWs) bands (ev): -6.8574 -6.8574 -6.8574 -6.8574 -6.7483 -6.7483 -6.7483 -6.7483 -2.5706 -2.5706 -2.5706 -2.5706 -1.9670 -1.9670 -1.9670 -1.9670 2.1421 2.1421 2.1421 2.1421 2.7854 2.7854 2.7854 2.7854 3.3123 3.3123 3.3123 3.3123 3.7623 3.7623 3.7623 3.7623 4.5747 4.5747 4.5747 4.5747 4.8450 4.8450 4.8450 4.8450 7.6484 7.6484 7.6484 7.6484 7.7040 7.7040 7.7040 7.7040 k = 0.5000-0.0000 0.0464 ( 4738 PWs) bands (ev): -6.8602 -6.8602 -6.8602 -6.8602 -6.7451 -6.7451 -6.7451 -6.7451 -2.5851 -2.5851 -2.5851 -2.5851 -1.9476 -1.9476 -1.9476 -1.9476 2.1159 2.1159 2.1159 2.1159 2.7954 2.7954 2.7954 2.7954 3.3024 3.3024 3.3024 3.3024 3.7707 3.7707 3.7707 3.7707 4.5796 4.5796 4.5796 4.5796 4.8766 4.8766 4.8766 4.8766 7.6287 7.6287 7.6287 7.6287 7.6826 7.6826 7.6826 7.6826 k = 0.5000-0.0000 0.0348 ( 4732 PWs) bands (ev): -6.8624 -6.8624 -6.8624 -6.8624 -6.7426 -6.7426 -6.7426 -6.7426 -2.5966 -2.5966 -2.5966 -2.5966 -1.9322 -1.9322 -1.9322 -1.9322 2.0949 2.0949 2.0949 2.0949 2.8031 2.8031 2.8031 2.8031 3.2947 3.2947 3.2947 3.2947 3.7769 3.7769 3.7769 3.7769 4.5838 4.5838 4.5838 4.5838 4.9031 4.9031 4.9031 4.9031 7.6127 7.6127 7.6127 7.6127 7.6647 7.6647 7.6647 7.6647 k = 0.5000-0.0000 0.0232 ( 4740 PWs) bands (ev): -6.8640 -6.8640 -6.8640 -6.8640 -6.7408 -6.7408 -6.7408 -6.7408 -2.6048 -2.6048 -2.6048 -2.6048 -1.9209 -1.9209 -1.9209 -1.9209 2.0796 2.0796 2.0796 2.0796 2.8085 2.8085 2.8085 2.8085 3.2892 3.2892 3.2892 3.2892 3.7812 3.7812 3.7812 3.7812 4.5869 4.5869 4.5869 4.5869 4.9232 4.9232 4.9232 4.9232 7.6010 7.6010 7.6010 7.6010 7.6511 7.6511 7.6511 7.6511 k = 0.5000-0.0000 0.0116 ( 4742 PWs) bands (ev): -6.8650 -6.8650 -6.8650 -6.8650 -6.7397 -6.7397 -6.7397 -6.7397 -2.6098 -2.6098 -2.6098 -2.6098 -1.9141 -1.9141 -1.9141 -1.9141 2.0702 2.0702 2.0702 2.0702 2.8118 2.8118 2.8118 2.8118 3.2859 3.2859 3.2859 3.2859 3.7837 3.7837 3.7837 3.7837 4.5888 4.5888 4.5888 4.5888 4.9357 4.9357 4.9357 4.9357 7.5939 7.5939 7.5939 7.5939 7.6427 7.6427 7.6427 7.6427 k = 0.5000-0.0000-0.0000 ( 4746 PWs) bands (ev): -6.8653 -6.8653 -6.8653 -6.8653 -6.7393 -6.7393 -6.7393 -6.7393 -2.6115 -2.6115 -2.6115 -2.6115 -1.9118 -1.9118 -1.9118 -1.9118 2.0671 2.0671 2.0671 2.0671 2.8128 2.8128 2.8128 2.8128 3.2848 3.2848 3.2848 3.2848 3.7846 3.7846 3.7846 3.7846 4.5895 4.5895 4.5895 4.5895 4.9399 4.9399 4.9399 4.9399 7.5915 7.5915 7.5915 7.5915 7.6398 7.6398 7.6398 7.6398 k = 0.5000 0.4241-0.0000 ( 4764 PWs) bands (ev): -6.5912 -6.5912 -6.5912 -6.5912 -6.5584 -6.5584 -6.5584 -6.5584 -2.0420 -2.0420 -2.0420 -2.0420 -1.9117 -1.9117 -1.9117 -1.9117 0.8419 0.8419 0.8419 0.8419 1.3016 1.3016 1.3016 1.3016 2.1084 2.1084 2.1084 2.1084 2.4607 2.4607 2.4607 2.4607 3.8785 3.8785 3.8785 3.8785 4.6672 4.6672 4.6672 4.6672 9.1954 9.1954 9.1954 9.1954 9.3914 9.3914 9.3914 9.3914 k = 0.5000 0.4241 0.0116 ( 4756 PWs) bands (ev): -6.5911 -6.5911 -6.5911 -6.5911 -6.5584 -6.5584 -6.5584 -6.5584 -2.0417 -2.0417 -2.0417 -2.0417 -1.9121 -1.9121 -1.9121 -1.9121 0.8441 0.8441 0.8441 0.8441 1.3036 1.3036 1.3036 1.3036 2.1029 2.1029 2.1029 2.1029 2.4565 2.4565 2.4565 2.4565 3.8851 3.8851 3.8851 3.8851 4.6691 4.6691 4.6691 4.6691 9.1899 9.1899 9.1899 9.1899 9.3870 9.3870 9.3870 9.3870 k = 0.5000 0.4241 0.0232 ( 4764 PWs) bands (ev): -6.5908 -6.5908 -6.5908 -6.5908 -6.5587 -6.5587 -6.5587 -6.5587 -2.0409 -2.0409 -2.0409 -2.0409 -1.9135 -1.9135 -1.9135 -1.9135 0.8507 0.8507 0.8507 0.8507 1.3096 1.3096 1.3096 1.3096 2.0866 2.0866 2.0866 2.0866 2.4443 2.4443 2.4443 2.4443 3.9044 3.9044 3.9044 3.9044 4.6744 4.6744 4.6744 4.6744 9.1738 9.1738 9.1738 9.1738 9.3740 9.3740 9.3740 9.3740 k = 0.5000 0.4241 0.0348 ( 4756 PWs) bands (ev): -6.5904 -6.5904 -6.5904 -6.5904 -6.5591 -6.5591 -6.5591 -6.5591 -2.0395 -2.0395 -2.0395 -2.0395 -1.9157 -1.9157 -1.9157 -1.9157 0.8616 0.8616 0.8616 0.8616 1.3194 1.3194 1.3194 1.3194 2.0606 2.0606 2.0606 2.0606 2.4243 2.4243 2.4243 2.4243 3.9355 3.9355 3.9355 3.9355 4.6827 4.6827 4.6827 4.6827 9.1485 9.1485 9.1485 9.1485 9.3528 9.3528 9.3528 9.3528 k = 0.5000 0.4241 0.0464 ( 4752 PWs) bands (ev): -6.5898 -6.5898 -6.5898 -6.5898 -6.5597 -6.5597 -6.5597 -6.5597 -2.0376 -2.0376 -2.0376 -2.0376 -1.9187 -1.9187 -1.9187 -1.9187 0.8768 0.8768 0.8768 0.8768 1.3328 1.3328 1.3328 1.3328 2.0264 2.0264 2.0264 2.0264 2.3971 2.3971 2.3971 2.3971 3.9769 3.9769 3.9769 3.9769 4.6931 4.6931 4.6931 4.6931 9.1156 9.1156 9.1156 9.1156 9.3241 9.3241 9.3241 9.3241 k = 0.5000 0.4241 0.0580 ( 4760 PWs) bands (ev): -6.5891 -6.5891 -6.5891 -6.5891 -6.5605 -6.5605 -6.5605 -6.5605 -2.0352 -2.0352 -2.0352 -2.0352 -1.9225 -1.9225 -1.9225 -1.9225 0.8963 0.8963 0.8963 0.8963 1.3492 1.3492 1.3492 1.3492 1.9860 1.9860 1.9860 1.9860 2.3635 2.3635 2.3635 2.3635 4.0267 4.0267 4.0267 4.0267 4.7046 4.7046 4.7046 4.7046 9.0776 9.0776 9.0776 9.0776 9.2888 9.2888 9.2888 9.2888 k = 0.5000 0.4241 0.0696 ( 4764 PWs) bands (ev): -6.5882 -6.5882 -6.5882 -6.5882 -6.5614 -6.5614 -6.5614 -6.5614 -2.0322 -2.0322 -2.0322 -2.0322 -1.9270 -1.9270 -1.9270 -1.9270 0.9198 0.9198 0.9198 0.9198 1.3680 1.3680 1.3680 1.3680 1.9413 1.9413 1.9413 1.9413 2.3244 2.3244 2.3244 2.3244 4.0832 4.0832 4.0832 4.0832 4.7159 4.7159 4.7159 4.7159 9.0369 9.0369 9.0369 9.0369 9.2482 9.2482 9.2482 9.2482 k = 0.5000 0.4241 0.0812 ( 4760 PWs) bands (ev): -6.5871 -6.5871 -6.5871 -6.5871 -6.5625 -6.5625 -6.5625 -6.5625 -2.0287 -2.0287 -2.0287 -2.0287 -1.9321 -1.9321 -1.9321 -1.9321 0.9473 0.9473 0.9473 0.9473 1.3879 1.3879 1.3879 1.3879 1.8951 1.8951 1.8951 1.8951 2.2807 2.2807 2.2807 2.2807 4.1444 4.1444 4.1444 4.1444 4.7256 4.7256 4.7256 4.7256 8.9961 8.9961 8.9961 8.9961 9.2036 9.2036 9.2036 9.2036 k = 0.5000 0.4241 0.0928 ( 4756 PWs) bands (ev): -6.5859 -6.5859 -6.5859 -6.5859 -6.5636 -6.5636 -6.5636 -6.5636 -2.0246 -2.0246 -2.0246 -2.0246 -1.9377 -1.9377 -1.9377 -1.9377 0.9786 0.9786 0.9786 0.9786 1.4069 1.4069 1.4069 1.4069 1.8503 1.8503 1.8503 1.8503 2.2333 2.2333 2.2333 2.2333 4.2086 4.2086 4.2086 4.2086 4.7325 4.7325 4.7325 4.7325 8.9573 8.9573 8.9573 8.9573 9.1564 9.1564 9.1564 9.1564 k = 0.5000 0.4241 0.1044 ( 4768 PWs) bands (ev): -6.5847 -6.5847 -6.5847 -6.5847 -6.5649 -6.5649 -6.5649 -6.5649 -2.0201 -2.0201 -2.0201 -2.0201 -1.9438 -1.9438 -1.9438 -1.9438 1.0136 1.0136 1.0136 1.0136 1.4221 1.4221 1.4221 1.4221 1.8110 1.8110 1.8110 1.8110 2.1832 2.1832 2.1832 2.1832 4.2741 4.2741 4.2741 4.2741 4.7352 4.7352 4.7352 4.7352 8.9227 8.9227 8.9227 8.9227 9.1082 9.1082 9.1082 9.1082 k = 0.5000 0.4241 0.1160 ( 4772 PWs) bands (ev): -6.5833 -6.5833 -6.5833 -6.5833 -6.5663 -6.5663 -6.5663 -6.5663 -2.0152 -2.0152 -2.0152 -2.0152 -1.9503 -1.9503 -1.9503 -1.9503 1.0518 1.0518 1.0518 1.0518 1.4288 1.4288 1.4288 1.4288 1.7824 1.7824 1.7824 1.7824 2.1312 2.1312 2.1312 2.1312 4.3392 4.3392 4.3392 4.3392 4.7327 4.7327 4.7327 4.7327 8.8940 8.8940 8.8940 8.8940 9.0607 9.0607 9.0607 9.0607 k = 0.5000 0.4241 0.1276 ( 4772 PWs) bands (ev): -6.5819 -6.5819 -6.5819 -6.5819 -6.5677 -6.5677 -6.5677 -6.5677 -2.0098 -2.0098 -2.0098 -2.0098 -1.9570 -1.9570 -1.9570 -1.9570 1.0931 1.0931 1.0931 1.0931 1.4222 1.4222 1.4222 1.4222 1.7699 1.7699 1.7699 1.7699 2.0784 2.0784 2.0784 2.0784 4.4026 4.4026 4.4026 4.4026 4.7240 4.7240 4.7240 4.7240 8.8725 8.8725 8.8725 8.8725 9.0156 9.0156 9.0156 9.0156 k = 0.5000 0.4241 0.1391 ( 4768 PWs) bands (ev): -6.5805 -6.5805 -6.5805 -6.5805 -6.5692 -6.5692 -6.5692 -6.5692 -2.0041 -2.0041 -2.0041 -2.0041 -1.9638 -1.9638 -1.9638 -1.9638 1.1370 1.1370 1.1370 1.1370 1.4006 1.4006 1.4006 1.4006 1.7757 1.7757 1.7757 1.7757 2.0257 2.0257 2.0257 2.0257 4.4629 4.4629 4.4629 4.4629 4.7084 4.7084 4.7084 4.7084 8.8590 8.8590 8.8590 8.8590 8.9745 8.9745 8.9745 8.9745 k = 0.5000 0.4241 0.1507 ( 4776 PWs) bands (ev): -6.5791 -6.5791 -6.5791 -6.5791 -6.5706 -6.5706 -6.5706 -6.5706 -1.9980 -1.9980 -1.9980 -1.9980 -1.9707 -1.9707 -1.9707 -1.9707 1.1830 1.1830 1.1830 1.1830 1.3665 1.3665 1.3665 1.3665 1.7972 1.7972 1.7972 1.7972 1.9743 1.9743 1.9743 1.9743 4.5187 4.5187 4.5187 4.5187 4.6857 4.6857 4.6857 4.6857 8.8535 8.8535 8.8535 8.8535 8.9394 8.9394 8.9394 8.9394 k = 0.5000 0.4241 0.1623 ( 4788 PWs) bands (ev): -6.5779 -6.5779 -6.5779 -6.5779 -6.5717 -6.5717 -6.5717 -6.5717 -1.9918 -1.9918 -1.9918 -1.9918 -1.9774 -1.9774 -1.9774 -1.9774 1.2301 1.2301 1.2301 1.2301 1.3246 1.3246 1.3246 1.3246 1.8289 1.8289 1.8289 1.8289 1.9263 1.9263 1.9263 1.9263 4.5683 4.5683 4.5683 4.5683 4.6565 4.6565 4.6565 4.6565 8.8548 8.8548 8.8548 8.8548 8.9133 8.9133 8.9133 8.9133 k = 0.5000 0.4241 0.1739 ( 4784 PWs) bands (ev): -6.5774 -6.5774 -6.5774 -6.5774 -6.5722 -6.5722 -6.5722 -6.5722 -1.9870 -1.9870 -1.9870 -1.9870 -1.9823 -1.9823 -1.9823 -1.9823 1.2717 1.2717 1.2717 1.2717 1.2844 1.2844 1.2844 1.2844 1.8546 1.8546 1.8546 1.8546 1.8954 1.8954 1.8954 1.8954 4.6005 4.6005 4.6005 4.6005 4.6311 4.6311 4.6311 4.6311 8.8573 8.8573 8.8573 8.8573 8.9023 8.9023 8.9023 8.9023 Writing output data file GeS.save init_run : 2.18s CPU 13.20s WALL ( 1 calls) electrons : 628.60s CPU 635.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 628.57s CPU 635.05s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.02s WALL ( 1 calls) v_h : 0.02s CPU 0.05s WALL ( 1 calls) v_xc : 0.12s CPU 0.63s WALL ( 1 calls) newd : 0.28s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 396 calls) cegterg : 575.97s CPU 579.88s WALL ( 718 calls) Called by sum_band: Called by *egterg: h_psi : 280.74s CPU 287.91s WALL ( 11328 calls) s_psi : 41.80s CPU 42.19s WALL ( 11328 calls) g_psi : 0.71s CPU 0.78s WALL ( 10214 calls) cdiaghg : 170.37s CPU 168.41s WALL ( 10610 calls) cegterg:over : 57.75s CPU 54.63s WALL ( 10214 calls) cegterg:upda : 11.41s CPU 14.37s WALL ( 10214 calls) cegterg:last : 10.89s CPU 11.72s WALL ( 2243 calls) Called by h_psi: h_psi:vloc : 195.50s CPU 200.79s WALL ( 11328 calls) h_psi:vnl : 85.01s CPU 86.36s WALL ( 11328 calls) add_vuspsi : 29.88s CPU 33.80s WALL ( 11328 calls) General routines calbec : 55.08s CPU 52.47s WALL ( 11328 calls) fft : 0.43s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 188.52s CPU 192.68s WALL ( 1267520 calls) interpolate : 0.01s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 1.85s WALL ( 792 calls) Parallel routines fft_scatter : 126.17s CPU 128.00s WALL ( 1267543 calls) PWSCF : 11m38.15s CPU 13m15.05s WALL This run was terminated on: 14:57:17 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=