Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdS.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 111 27 8 7419 918 150 Max 112 28 9 7426 940 157 Sum 4009 1001 293 267163 33409 5439 bravais-lattice index = 14 lattice parameter (alat) = 8.8779 a.u. unit-cell volume = 979.1453 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.877933 celldm(2)= 1.003193 celldm(3)= 1.394849 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 1.003193 0.000000 ) a(3) = ( 0.000000 0.000000 1.394849 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.996817 -0.000000 ) b(3) = ( 0.000000 0.000000 0.716924 ) PseudoPot. # 1 for S read from file: /users/gautes/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 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 S 6.00 32.06500 S( 1.00) Cd 12.00 112.41100 Cd( 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6974244 ) 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 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5015964 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5015964 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6974244 ) 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 =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6974244 ) 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 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5015964 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5015964 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6974244 ) 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 and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0026316 k( 4) = ( 0.0441177 -0.0000000 -0.0000000), wk = 0.0026316 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0026316 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0026316 k( 8) = ( 0.1029412 -0.0000000 -0.0000000), wk = 0.0026316 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0026316 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0026316 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0026316 k( 12) = ( 0.1617647 -0.0000000 -0.0000000), wk = 0.0026316 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0026316 k( 14) = ( 0.1911765 -0.0000000 -0.0000000), wk = 0.0026316 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0026316 k( 16) = ( 0.2205882 -0.0000000 -0.0000000), wk = 0.0026316 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0026316 k( 18) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0026316 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0026316 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0026316 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0026316 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0026316 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0026316 k( 24) = ( 0.3382353 -0.0000000 -0.0000000), wk = 0.0026316 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0026316 k( 26) = ( 0.3676471 -0.0000000 -0.0000000), wk = 0.0026316 k( 27) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0026316 k( 28) = ( 0.3970588 -0.0000000 -0.0000000), wk = 0.0026316 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0026316 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0026316 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0026316 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0026316 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0026316 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0026316 k( 35) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 37) = ( 0.5000000 0.0146591 -0.0000000), wk = 0.0026316 k( 38) = ( 0.5000000 0.0293182 -0.0000000), wk = 0.0026316 k( 39) = ( 0.5000000 0.0439772 -0.0000000), wk = 0.0026316 k( 40) = ( 0.5000000 0.0586363 -0.0000000), wk = 0.0026316 k( 41) = ( 0.5000000 0.0732954 -0.0000000), wk = 0.0026316 k( 42) = ( 0.5000000 0.0879545 -0.0000000), wk = 0.0026316 k( 43) = ( 0.5000000 0.1026136 -0.0000000), wk = 0.0026316 k( 44) = ( 0.5000000 0.1172726 -0.0000000), wk = 0.0026316 k( 45) = ( 0.5000000 0.1319317 -0.0000000), wk = 0.0026316 k( 46) = ( 0.5000000 0.1465908 -0.0000000), wk = 0.0026316 k( 47) = ( 0.5000000 0.1612499 -0.0000000), wk = 0.0026316 k( 48) = ( 0.5000000 0.1759089 -0.0000000), wk = 0.0026316 k( 49) = ( 0.5000000 0.1905680 -0.0000000), wk = 0.0026316 k( 50) = ( 0.5000000 0.2052271 -0.0000000), wk = 0.0026316 k( 51) = ( 0.5000000 0.2198862 -0.0000000), wk = 0.0026316 k( 52) = ( 0.5000000 0.2345453 -0.0000000), wk = 0.0026316 k( 53) = ( 0.5000000 0.2492043 -0.0000000), wk = 0.0026316 k( 54) = ( 0.5000000 0.2638634 -0.0000000), wk = 0.0026316 k( 55) = ( 0.5000000 0.2785225 -0.0000000), wk = 0.0026316 k( 56) = ( 0.5000000 0.2931816 -0.0000000), wk = 0.0026316 k( 57) = ( 0.5000000 0.3078406 -0.0000000), wk = 0.0026316 k( 58) = ( 0.5000000 0.3224997 -0.0000000), wk = 0.0026316 k( 59) = ( 0.5000000 0.3371588 -0.0000000), wk = 0.0026316 k( 60) = ( 0.5000000 0.3518179 -0.0000000), wk = 0.0026316 k( 61) = ( 0.5000000 0.3664770 -0.0000000), wk = 0.0026316 k( 62) = ( 0.5000000 0.3811360 -0.0000000), wk = 0.0026316 k( 63) = ( 0.5000000 0.3957951 -0.0000000), wk = 0.0026316 k( 64) = ( 0.5000000 0.4104542 -0.0000000), wk = 0.0026316 k( 65) = ( 0.5000000 0.4251133 -0.0000000), wk = 0.0026316 k( 66) = ( 0.5000000 0.4397723 -0.0000000), wk = 0.0026316 k( 67) = ( 0.5000000 0.4544314 -0.0000000), wk = 0.0026316 k( 68) = ( 0.5000000 0.4690905 -0.0000000), wk = 0.0026316 k( 69) = ( 0.5000000 0.4837496 -0.0000000), wk = 0.0026316 k( 70) = ( 0.5000000 0.4984087 -0.0000000), wk = 0.0026316 k( 71) = ( 0.5000000 0.4984087 -0.0000000), wk = 0.0026316 k( 72) = ( 0.4852941 0.4984087 -0.0000000), wk = 0.0026316 k( 73) = ( 0.4705882 0.4984087 -0.0000000), wk = 0.0026316 k( 74) = ( 0.4558823 0.4984087 -0.0000000), wk = 0.0026316 k( 75) = ( 0.4411765 0.4984087 -0.0000000), wk = 0.0026316 k( 76) = ( 0.4264706 0.4984087 -0.0000000), wk = 0.0026316 k( 77) = ( 0.4117647 0.4984087 -0.0000000), wk = 0.0026316 k( 78) = ( 0.3970588 0.4984087 -0.0000000), wk = 0.0026316 k( 79) = ( 0.3823529 0.4984087 -0.0000000), wk = 0.0026316 k( 80) = ( 0.3676471 0.4984087 -0.0000000), wk = 0.0026316 k( 81) = ( 0.3529412 0.4984087 -0.0000000), wk = 0.0026316 k( 82) = ( 0.3382353 0.4984087 -0.0000000), wk = 0.0026316 k( 83) = ( 0.3235294 0.4984087 -0.0000000), wk = 0.0026316 k( 84) = ( 0.3088235 0.4984087 -0.0000000), wk = 0.0026316 k( 85) = ( 0.2941177 0.4984087 -0.0000000), wk = 0.0026316 k( 86) = ( 0.2794118 0.4984087 -0.0000000), wk = 0.0026316 k( 87) = ( 0.2647059 0.4984087 -0.0000000), wk = 0.0026316 k( 88) = ( 0.2500000 0.4984087 -0.0000000), wk = 0.0026316 k( 89) = ( 0.2352941 0.4984087 -0.0000000), wk = 0.0026316 k( 90) = ( 0.2205882 0.4984087 -0.0000000), wk = 0.0026316 k( 91) = ( 0.2058823 0.4984087 -0.0000000), wk = 0.0026316 k( 92) = ( 0.1911765 0.4984087 -0.0000000), wk = 0.0026316 k( 93) = ( 0.1764706 0.4984087 -0.0000000), wk = 0.0026316 k( 94) = ( 0.1617647 0.4984087 -0.0000000), wk = 0.0026316 k( 95) = ( 0.1470588 0.4984087 -0.0000000), wk = 0.0026316 k( 96) = ( 0.1323529 0.4984087 -0.0000000), wk = 0.0026316 k( 97) = ( 0.1176471 0.4984087 -0.0000000), wk = 0.0026316 k( 98) = ( 0.1029412 0.4984087 -0.0000000), wk = 0.0026316 k( 99) = ( 0.0882353 0.4984087 -0.0000000), wk = 0.0026316 k( 100) = ( 0.0735294 0.4984087 -0.0000000), wk = 0.0026316 k( 101) = ( 0.0588235 0.4984087 -0.0000000), wk = 0.0026316 k( 102) = ( 0.0441177 0.4984087 -0.0000000), wk = 0.0026316 k( 103) = ( 0.0294118 0.4984087 -0.0000000), wk = 0.0026316 k( 104) = ( 0.0147059 0.4984087 -0.0000000), wk = 0.0026316 k( 105) = ( 0.0000000 0.4984087 -0.0000000), wk = 0.0026316 k( 106) = ( 0.0000000 0.4984087 -0.0000000), wk = 0.0026316 k( 107) = ( 0.0000000 0.4837496 -0.0000000), wk = 0.0026316 k( 108) = ( 0.0000000 0.4690905 -0.0000000), wk = 0.0026316 k( 109) = ( 0.0000000 0.4544314 -0.0000000), wk = 0.0026316 k( 110) = ( 0.0000000 0.4397723 -0.0000000), wk = 0.0026316 k( 111) = ( 0.0000000 0.4251133 -0.0000000), wk = 0.0026316 k( 112) = ( 0.0000000 0.4104542 -0.0000000), wk = 0.0026316 k( 113) = ( 0.0000000 0.3957951 -0.0000000), wk = 0.0026316 k( 114) = ( 0.0000000 0.3811360 -0.0000000), wk = 0.0026316 k( 115) = ( 0.0000000 0.3664770 -0.0000000), wk = 0.0026316 k( 116) = ( 0.0000000 0.3518179 -0.0000000), wk = 0.0026316 k( 117) = ( 0.0000000 0.3371588 -0.0000000), wk = 0.0026316 k( 118) = ( 0.0000000 0.3224997 -0.0000000), wk = 0.0026316 k( 119) = ( 0.0000000 0.3078406 -0.0000000), wk = 0.0026316 k( 120) = ( 0.0000000 0.2931816 -0.0000000), wk = 0.0026316 k( 121) = ( 0.0000000 0.2785225 -0.0000000), wk = 0.0026316 k( 122) = ( 0.0000000 0.2638634 -0.0000000), wk = 0.0026316 k( 123) = ( 0.0000000 0.2492043 -0.0000000), wk = 0.0026316 k( 124) = ( 0.0000000 0.2345453 -0.0000000), wk = 0.0026316 k( 125) = ( 0.0000000 0.2198862 -0.0000000), wk = 0.0026316 k( 126) = ( 0.0000000 0.2052271 -0.0000000), wk = 0.0026316 k( 127) = ( 0.0000000 0.1905680 -0.0000000), wk = 0.0026316 k( 128) = ( 0.0000000 0.1759089 -0.0000000), wk = 0.0026316 k( 129) = ( 0.0000000 0.1612499 -0.0000000), wk = 0.0026316 k( 130) = ( 0.0000000 0.1465908 -0.0000000), wk = 0.0026316 k( 131) = ( 0.0000000 0.1319317 -0.0000000), wk = 0.0026316 k( 132) = ( 0.0000000 0.1172726 -0.0000000), wk = 0.0026316 k( 133) = ( 0.0000000 0.1026136 -0.0000000), wk = 0.0026316 k( 134) = ( 0.0000000 0.0879545 -0.0000000), wk = 0.0026316 k( 135) = ( 0.0000000 0.0732954 -0.0000000), wk = 0.0026316 k( 136) = ( 0.0000000 0.0586363 -0.0000000), wk = 0.0026316 k( 137) = ( 0.0000000 0.0439772 -0.0000000), wk = 0.0026316 k( 138) = ( 0.0000000 0.0293182 -0.0000000), wk = 0.0026316 k( 139) = ( 0.0000000 0.0146591 -0.0000000), wk = 0.0026316 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 142) = ( 0.0000000 0.0000000 0.0149359), wk = 0.0026316 k( 143) = ( 0.0000000 0.0000000 0.0298718), wk = 0.0026316 k( 144) = ( 0.0000000 0.0000000 0.0448077), wk = 0.0026316 k( 145) = ( 0.0000000 0.0000000 0.0597436), wk = 0.0026316 k( 146) = ( 0.0000000 0.0000000 0.0746795), wk = 0.0026316 k( 147) = ( 0.0000000 0.0000000 0.0896154), wk = 0.0026316 k( 148) = ( 0.0000000 0.0000000 0.1045513), wk = 0.0026316 k( 149) = ( 0.0000000 0.0000000 0.1194873), wk = 0.0026316 k( 150) = ( 0.0000000 0.0000000 0.1344232), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.1493591), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.1642950), wk = 0.0026316 k( 153) = ( 0.0000000 0.0000000 0.1792309), wk = 0.0026316 k( 154) = ( 0.0000000 0.0000000 0.1941668), wk = 0.0026316 k( 155) = ( 0.0000000 0.0000000 0.2091027), wk = 0.0026316 k( 156) = ( 0.0000000 0.0000000 0.2240386), wk = 0.0026316 k( 157) = ( 0.0000000 0.0000000 0.2389745), wk = 0.0026316 k( 158) = ( 0.0000000 0.0000000 0.2539104), wk = 0.0026316 k( 159) = ( 0.0000000 0.0000000 0.2688463), wk = 0.0026316 k( 160) = ( 0.0000000 0.0000000 0.2837822), wk = 0.0026316 k( 161) = ( 0.0000000 0.0000000 0.2987181), wk = 0.0026316 k( 162) = ( 0.0000000 0.0000000 0.3136541), wk = 0.0026316 k( 163) = ( 0.0000000 0.0000000 0.3285900), wk = 0.0026316 k( 164) = ( 0.0000000 0.0000000 0.3435259), wk = 0.0026316 k( 165) = ( 0.0000000 0.0000000 0.3584618), wk = 0.0026316 k( 166) = ( 0.0000000 0.0000000 0.3584618), wk = 0.0026316 k( 167) = ( 0.0147059 -0.0000000 0.3584618), wk = 0.0026316 k( 168) = ( 0.0294118 -0.0000000 0.3584618), wk = 0.0026316 k( 169) = ( 0.0441177 -0.0000000 0.3584618), wk = 0.0026316 k( 170) = ( 0.0588235 -0.0000000 0.3584618), wk = 0.0026316 k( 171) = ( 0.0735294 -0.0000000 0.3584618), wk = 0.0026316 k( 172) = ( 0.0882353 -0.0000000 0.3584618), wk = 0.0026316 k( 173) = ( 0.1029412 -0.0000000 0.3584618), wk = 0.0026316 k( 174) = ( 0.1176471 -0.0000000 0.3584618), wk = 0.0026316 k( 175) = ( 0.1323529 -0.0000000 0.3584618), wk = 0.0026316 k( 176) = ( 0.1470588 -0.0000000 0.3584618), wk = 0.0026316 k( 177) = ( 0.1617647 -0.0000000 0.3584618), wk = 0.0026316 k( 178) = ( 0.1764706 -0.0000000 0.3584618), wk = 0.0026316 k( 179) = ( 0.1911765 -0.0000000 0.3584618), wk = 0.0026316 k( 180) = ( 0.2058823 -0.0000000 0.3584618), wk = 0.0026316 k( 181) = ( 0.2205882 -0.0000000 0.3584618), wk = 0.0026316 k( 182) = ( 0.2352941 -0.0000000 0.3584618), wk = 0.0026316 k( 183) = ( 0.2500000 -0.0000000 0.3584618), wk = 0.0026316 k( 184) = ( 0.2647059 -0.0000000 0.3584618), wk = 0.0026316 k( 185) = ( 0.2794118 -0.0000000 0.3584618), wk = 0.0026316 k( 186) = ( 0.2941177 -0.0000000 0.3584618), wk = 0.0026316 k( 187) = ( 0.3088235 -0.0000000 0.3584618), wk = 0.0026316 k( 188) = ( 0.3235294 -0.0000000 0.3584618), wk = 0.0026316 k( 189) = ( 0.3382353 -0.0000000 0.3584618), wk = 0.0026316 k( 190) = ( 0.3529412 -0.0000000 0.3584618), wk = 0.0026316 k( 191) = ( 0.3676471 -0.0000000 0.3584618), wk = 0.0026316 k( 192) = ( 0.3823529 -0.0000000 0.3584618), wk = 0.0026316 k( 193) = ( 0.3970588 -0.0000000 0.3584618), wk = 0.0026316 k( 194) = ( 0.4117647 -0.0000000 0.3584618), wk = 0.0026316 k( 195) = ( 0.4264706 -0.0000000 0.3584618), wk = 0.0026316 k( 196) = ( 0.4411765 -0.0000000 0.3584618), wk = 0.0026316 k( 197) = ( 0.4558823 -0.0000000 0.3584618), wk = 0.0026316 k( 198) = ( 0.4705882 -0.0000000 0.3584618), wk = 0.0026316 k( 199) = ( 0.4852941 -0.0000000 0.3584618), wk = 0.0026316 k( 200) = ( 0.5000000 -0.0000000 0.3584618), wk = 0.0026316 k( 201) = ( 0.5000000 -0.0000000 0.3584618), wk = 0.0026316 k( 202) = ( 0.5000000 0.0146591 0.3584618), wk = 0.0026316 k( 203) = ( 0.5000000 0.0293182 0.3584618), wk = 0.0026316 k( 204) = ( 0.5000000 0.0439772 0.3584618), wk = 0.0026316 k( 205) = ( 0.5000000 0.0586363 0.3584618), wk = 0.0026316 k( 206) = ( 0.5000000 0.0732954 0.3584618), wk = 0.0026316 k( 207) = ( 0.5000000 0.0879545 0.3584618), wk = 0.0026316 k( 208) = ( 0.5000000 0.1026136 0.3584618), wk = 0.0026316 k( 209) = ( 0.5000000 0.1172726 0.3584618), wk = 0.0026316 k( 210) = ( 0.5000000 0.1319317 0.3584618), wk = 0.0026316 k( 211) = ( 0.5000000 0.1465908 0.3584618), wk = 0.0026316 k( 212) = ( 0.5000000 0.1612499 0.3584618), wk = 0.0026316 k( 213) = ( 0.5000000 0.1759089 0.3584618), wk = 0.0026316 k( 214) = ( 0.5000000 0.1905680 0.3584618), wk = 0.0026316 k( 215) = ( 0.5000000 0.2052271 0.3584618), wk = 0.0026316 k( 216) = ( 0.5000000 0.2198862 0.3584618), wk = 0.0026316 k( 217) = ( 0.5000000 0.2345453 0.3584618), wk = 0.0026316 k( 218) = ( 0.5000000 0.2492043 0.3584618), wk = 0.0026316 k( 219) = ( 0.5000000 0.2638634 0.3584618), wk = 0.0026316 k( 220) = ( 0.5000000 0.2785225 0.3584618), wk = 0.0026316 k( 221) = ( 0.5000000 0.2931816 0.3584618), wk = 0.0026316 k( 222) = ( 0.5000000 0.3078406 0.3584618), wk = 0.0026316 k( 223) = ( 0.5000000 0.3224997 0.3584618), wk = 0.0026316 k( 224) = ( 0.5000000 0.3371588 0.3584618), wk = 0.0026316 k( 225) = ( 0.5000000 0.3518179 0.3584618), wk = 0.0026316 k( 226) = ( 0.5000000 0.3664770 0.3584618), wk = 0.0026316 k( 227) = ( 0.5000000 0.3811360 0.3584618), wk = 0.0026316 k( 228) = ( 0.5000000 0.3957951 0.3584618), wk = 0.0026316 k( 229) = ( 0.5000000 0.4104542 0.3584618), wk = 0.0026316 k( 230) = ( 0.5000000 0.4251133 0.3584618), wk = 0.0026316 k( 231) = ( 0.5000000 0.4397723 0.3584618), wk = 0.0026316 k( 232) = ( 0.5000000 0.4544314 0.3584618), wk = 0.0026316 k( 233) = ( 0.5000000 0.4690905 0.3584618), wk = 0.0026316 k( 234) = ( 0.5000000 0.4837496 0.3584618), wk = 0.0026316 k( 235) = ( 0.5000000 0.4984087 0.3584618), wk = 0.0026316 k( 236) = ( 0.5000000 0.4984087 0.3584618), wk = 0.0026316 k( 237) = ( 0.4852941 0.4984087 0.3584618), wk = 0.0026316 k( 238) = ( 0.4705882 0.4984087 0.3584618), wk = 0.0026316 k( 239) = ( 0.4558823 0.4984087 0.3584618), wk = 0.0026316 k( 240) = ( 0.4411765 0.4984087 0.3584618), wk = 0.0026316 k( 241) = ( 0.4264706 0.4984087 0.3584618), wk = 0.0026316 k( 242) = ( 0.4117647 0.4984087 0.3584618), wk = 0.0026316 k( 243) = ( 0.3970588 0.4984087 0.3584618), wk = 0.0026316 k( 244) = ( 0.3823529 0.4984087 0.3584618), wk = 0.0026316 k( 245) = ( 0.3676471 0.4984087 0.3584618), wk = 0.0026316 k( 246) = ( 0.3529412 0.4984087 0.3584618), wk = 0.0026316 k( 247) = ( 0.3382353 0.4984087 0.3584618), wk = 0.0026316 k( 248) = ( 0.3235294 0.4984087 0.3584618), wk = 0.0026316 k( 249) = ( 0.3088235 0.4984087 0.3584618), wk = 0.0026316 k( 250) = ( 0.2941177 0.4984087 0.3584618), wk = 0.0026316 k( 251) = ( 0.2794118 0.4984087 0.3584618), wk = 0.0026316 k( 252) = ( 0.2647059 0.4984087 0.3584618), wk = 0.0026316 k( 253) = ( 0.2500000 0.4984087 0.3584618), wk = 0.0026316 k( 254) = ( 0.2352941 0.4984087 0.3584618), wk = 0.0026316 k( 255) = ( 0.2205882 0.4984087 0.3584618), wk = 0.0026316 k( 256) = ( 0.2058823 0.4984087 0.3584618), wk = 0.0026316 k( 257) = ( 0.1911765 0.4984087 0.3584618), wk = 0.0026316 k( 258) = ( 0.1764706 0.4984087 0.3584618), wk = 0.0026316 k( 259) = ( 0.1617647 0.4984087 0.3584618), wk = 0.0026316 k( 260) = ( 0.1470588 0.4984087 0.3584618), wk = 0.0026316 k( 261) = ( 0.1323529 0.4984087 0.3584618), wk = 0.0026316 k( 262) = ( 0.1176471 0.4984087 0.3584618), wk = 0.0026316 k( 263) = ( 0.1029412 0.4984087 0.3584618), wk = 0.0026316 k( 264) = ( 0.0882353 0.4984087 0.3584618), wk = 0.0026316 k( 265) = ( 0.0735294 0.4984087 0.3584618), wk = 0.0026316 k( 266) = ( 0.0588235 0.4984087 0.3584618), wk = 0.0026316 k( 267) = ( 0.0441177 0.4984087 0.3584618), wk = 0.0026316 k( 268) = ( 0.0294118 0.4984087 0.3584618), wk = 0.0026316 k( 269) = ( 0.0147059 0.4984087 0.3584618), wk = 0.0026316 k( 270) = ( 0.0000000 0.4984087 0.3584618), wk = 0.0026316 k( 271) = ( 0.0000000 0.4984087 0.3584618), wk = 0.0026316 k( 272) = ( 0.0000000 0.4837496 0.3584618), wk = 0.0026316 k( 273) = ( 0.0000000 0.4690905 0.3584618), wk = 0.0026316 k( 274) = ( 0.0000000 0.4544314 0.3584618), wk = 0.0026316 k( 275) = ( 0.0000000 0.4397723 0.3584618), wk = 0.0026316 k( 276) = ( 0.0000000 0.4251133 0.3584618), wk = 0.0026316 k( 277) = ( 0.0000000 0.4104542 0.3584618), wk = 0.0026316 k( 278) = ( 0.0000000 0.3957951 0.3584618), wk = 0.0026316 k( 279) = ( 0.0000000 0.3811360 0.3584618), wk = 0.0026316 k( 280) = ( 0.0000000 0.3664770 0.3584618), wk = 0.0026316 k( 281) = ( 0.0000000 0.3518179 0.3584618), wk = 0.0026316 k( 282) = ( 0.0000000 0.3371588 0.3584618), wk = 0.0026316 k( 283) = ( 0.0000000 0.3224997 0.3584618), wk = 0.0026316 k( 284) = ( 0.0000000 0.3078406 0.3584618), wk = 0.0026316 k( 285) = ( 0.0000000 0.2931816 0.3584618), wk = 0.0026316 k( 286) = ( 0.0000000 0.2785225 0.3584618), wk = 0.0026316 k( 287) = ( 0.0000000 0.2638634 0.3584618), wk = 0.0026316 k( 288) = ( 0.0000000 0.2492043 0.3584618), wk = 0.0026316 k( 289) = ( 0.0000000 0.2345453 0.3584618), wk = 0.0026316 k( 290) = ( 0.0000000 0.2198862 0.3584618), wk = 0.0026316 k( 291) = ( 0.0000000 0.2052271 0.3584618), wk = 0.0026316 k( 292) = ( 0.0000000 0.1905680 0.3584618), wk = 0.0026316 k( 293) = ( 0.0000000 0.1759089 0.3584618), wk = 0.0026316 k( 294) = ( 0.0000000 0.1612499 0.3584618), wk = 0.0026316 k( 295) = ( 0.0000000 0.1465908 0.3584618), wk = 0.0026316 k( 296) = ( 0.0000000 0.1319317 0.3584618), wk = 0.0026316 k( 297) = ( 0.0000000 0.1172726 0.3584618), wk = 0.0026316 k( 298) = ( 0.0000000 0.1026136 0.3584618), wk = 0.0026316 k( 299) = ( 0.0000000 0.0879545 0.3584618), wk = 0.0026316 k( 300) = ( 0.0000000 0.0732954 0.3584618), wk = 0.0026316 k( 301) = ( 0.0000000 0.0586363 0.3584618), wk = 0.0026316 k( 302) = ( 0.0000000 0.0439772 0.3584618), wk = 0.0026316 k( 303) = ( 0.0000000 0.0293182 0.3584618), wk = 0.0026316 k( 304) = ( 0.0000000 0.0146591 0.3584618), wk = 0.0026316 k( 305) = ( 0.0000000 0.0000000 0.3584618), wk = 0.0026316 k( 306) = ( 0.0000000 0.4984087 -0.0000000), wk = 0.0026316 k( 307) = ( 0.0000000 0.4984087 0.0149359), wk = 0.0026316 k( 308) = ( 0.0000000 0.4984087 0.0298718), wk = 0.0026316 k( 309) = ( 0.0000000 0.4984087 0.0448077), wk = 0.0026316 k( 310) = ( 0.0000000 0.4984087 0.0597436), wk = 0.0026316 k( 311) = ( 0.0000000 0.4984087 0.0746795), wk = 0.0026316 k( 312) = ( 0.0000000 0.4984087 0.0896154), wk = 0.0026316 k( 313) = ( 0.0000000 0.4984087 0.1045513), wk = 0.0026316 k( 314) = ( 0.0000000 0.4984087 0.1194873), wk = 0.0026316 k( 315) = ( 0.0000000 0.4984087 0.1344232), wk = 0.0026316 k( 316) = ( 0.0000000 0.4984087 0.1493591), wk = 0.0026316 k( 317) = ( 0.0000000 0.4984087 0.1642950), wk = 0.0026316 k( 318) = ( 0.0000000 0.4984087 0.1792309), wk = 0.0026316 k( 319) = ( 0.0000000 0.4984087 0.1941668), wk = 0.0026316 k( 320) = ( 0.0000000 0.4984087 0.2091027), wk = 0.0026316 k( 321) = ( 0.0000000 0.4984087 0.2240386), wk = 0.0026316 k( 322) = ( 0.0000000 0.4984087 0.2389745), wk = 0.0026316 k( 323) = ( 0.0000000 0.4984087 0.2539104), wk = 0.0026316 k( 324) = ( 0.0000000 0.4984087 0.2688463), wk = 0.0026316 k( 325) = ( 0.0000000 0.4984087 0.2837822), wk = 0.0026316 k( 326) = ( 0.0000000 0.4984087 0.2987181), wk = 0.0026316 k( 327) = ( 0.0000000 0.4984087 0.3136541), wk = 0.0026316 k( 328) = ( 0.0000000 0.4984087 0.3285900), wk = 0.0026316 k( 329) = ( 0.0000000 0.4984087 0.3435259), wk = 0.0026316 k( 330) = ( 0.0000000 0.4984087 0.3584618), wk = 0.0026316 k( 331) = ( 0.5000000 -0.0000000 0.3584618), wk = 0.0026316 k( 332) = ( 0.5000000 -0.0000000 0.3435259), wk = 0.0026316 k( 333) = ( 0.5000000 -0.0000000 0.3285900), wk = 0.0026316 k( 334) = ( 0.5000000 -0.0000000 0.3136541), wk = 0.0026316 k( 335) = ( 0.5000000 -0.0000000 0.2987181), wk = 0.0026316 k( 336) = ( 0.5000000 -0.0000000 0.2837822), wk = 0.0026316 k( 337) = ( 0.5000000 -0.0000000 0.2688463), wk = 0.0026316 k( 338) = ( 0.5000000 -0.0000000 0.2539104), wk = 0.0026316 k( 339) = ( 0.5000000 -0.0000000 0.2389745), wk = 0.0026316 k( 340) = ( 0.5000000 -0.0000000 0.2240386), wk = 0.0026316 k( 341) = ( 0.5000000 -0.0000000 0.2091027), wk = 0.0026316 k( 342) = ( 0.5000000 -0.0000000 0.1941668), wk = 0.0026316 k( 343) = ( 0.5000000 -0.0000000 0.1792309), wk = 0.0026316 k( 344) = ( 0.5000000 -0.0000000 0.1642950), wk = 0.0026316 k( 345) = ( 0.5000000 -0.0000000 0.1493591), wk = 0.0026316 k( 346) = ( 0.5000000 -0.0000000 0.1344232), wk = 0.0026316 k( 347) = ( 0.5000000 -0.0000000 0.1194873), wk = 0.0026316 k( 348) = ( 0.5000000 -0.0000000 0.1045513), wk = 0.0026316 k( 349) = ( 0.5000000 -0.0000000 0.0896154), wk = 0.0026316 k( 350) = ( 0.5000000 -0.0000000 0.0746795), wk = 0.0026316 k( 351) = ( 0.5000000 -0.0000000 0.0597436), wk = 0.0026316 k( 352) = ( 0.5000000 -0.0000000 0.0448077), wk = 0.0026316 k( 353) = ( 0.5000000 -0.0000000 0.0298718), wk = 0.0026316 k( 354) = ( 0.5000000 -0.0000000 0.0149359), wk = 0.0026316 k( 355) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 356) = ( 0.5000000 0.4984087 -0.0000000), wk = 0.0026316 k( 357) = ( 0.5000000 0.4984087 0.0149359), wk = 0.0026316 k( 358) = ( 0.5000000 0.4984087 0.0298718), wk = 0.0026316 k( 359) = ( 0.5000000 0.4984087 0.0448077), wk = 0.0026316 k( 360) = ( 0.5000000 0.4984087 0.0597436), wk = 0.0026316 k( 361) = ( 0.5000000 0.4984087 0.0746795), wk = 0.0026316 k( 362) = ( 0.5000000 0.4984087 0.0896154), wk = 0.0026316 k( 363) = ( 0.5000000 0.4984087 0.1045513), wk = 0.0026316 k( 364) = ( 0.5000000 0.4984087 0.1194873), wk = 0.0026316 k( 365) = ( 0.5000000 0.4984087 0.1344232), wk = 0.0026316 k( 366) = ( 0.5000000 0.4984087 0.1493591), wk = 0.0026316 k( 367) = ( 0.5000000 0.4984087 0.1642950), wk = 0.0026316 k( 368) = ( 0.5000000 0.4984087 0.1792309), wk = 0.0026316 k( 369) = ( 0.5000000 0.4984087 0.1941668), wk = 0.0026316 k( 370) = ( 0.5000000 0.4984087 0.2091027), wk = 0.0026316 k( 371) = ( 0.5000000 0.4984087 0.2240386), wk = 0.0026316 k( 372) = ( 0.5000000 0.4984087 0.2389745), wk = 0.0026316 k( 373) = ( 0.5000000 0.4984087 0.2539104), wk = 0.0026316 k( 374) = ( 0.5000000 0.4984087 0.2688463), wk = 0.0026316 k( 375) = ( 0.5000000 0.4984087 0.2837822), wk = 0.0026316 k( 376) = ( 0.5000000 0.4984087 0.2987181), wk = 0.0026316 k( 377) = ( 0.5000000 0.4984087 0.3136541), wk = 0.0026316 k( 378) = ( 0.5000000 0.4984087 0.3285900), wk = 0.0026316 k( 379) = ( 0.5000000 0.4984087 0.3435259), wk = 0.0026316 k( 380) = ( 0.5000000 0.4984087 0.3584618), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0026316 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0026316 k( 5) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0026316 k( 6) = ( 0.0735294 0.0000000 0.0000000), wk = 0.0026316 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0026316 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0026316 k( 9) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0026316 k( 10) = ( 0.1323529 -0.0000000 0.0000000), wk = 0.0026316 k( 11) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0026316 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0026316 k( 13) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0026316 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0026316 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0026316 k( 16) = ( 0.2205882 0.0000000 -0.0000000), wk = 0.0026316 k( 17) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0026316 k( 18) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026316 k( 19) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0026316 k( 20) = ( 0.2794118 -0.0000000 0.0000000), wk = 0.0026316 k( 21) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0026316 k( 22) = ( 0.3088235 -0.0000000 0.0000000), wk = 0.0026316 k( 23) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0026316 k( 24) = ( 0.3382353 0.0000000 -0.0000000), wk = 0.0026316 k( 25) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0026316 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0026316 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0026316 k( 28) = ( 0.3970588 0.0000000 0.0000000), wk = 0.0026316 k( 29) = ( 0.4117647 0.0000000 -0.0000000), wk = 0.0026316 k( 30) = ( 0.4264706 -0.0000000 0.0000000), wk = 0.0026316 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0026316 k( 32) = ( 0.4558823 0.0000000 0.0000000), wk = 0.0026316 k( 33) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0026316 k( 34) = ( 0.4852941 -0.0000000 0.0000000), wk = 0.0026316 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026316 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026316 k( 37) = ( 0.5000000 0.0147059 0.0000000), wk = 0.0026316 k( 38) = ( 0.5000000 0.0294118 0.0000000), wk = 0.0026316 k( 39) = ( 0.5000000 0.0441177 0.0000000), wk = 0.0026316 k( 40) = ( 0.5000000 0.0588235 0.0000000), wk = 0.0026316 k( 41) = ( 0.5000000 0.0735294 -0.0000000), wk = 0.0026316 k( 42) = ( 0.5000000 0.0882353 -0.0000000), wk = 0.0026316 k( 43) = ( 0.5000000 0.1029412 -0.0000000), wk = 0.0026316 k( 44) = ( 0.5000000 0.1176471 0.0000000), wk = 0.0026316 k( 45) = ( 0.5000000 0.1323529 0.0000000), wk = 0.0026316 k( 46) = ( 0.5000000 0.1470588 -0.0000000), wk = 0.0026316 k( 47) = ( 0.5000000 0.1617647 0.0000000), wk = 0.0026316 k( 48) = ( 0.5000000 0.1764706 -0.0000000), wk = 0.0026316 k( 49) = ( 0.5000000 0.1911765 0.0000000), wk = 0.0026316 k( 50) = ( 0.5000000 0.2058823 0.0000000), wk = 0.0026316 k( 51) = ( 0.5000000 0.2205882 -0.0000000), wk = 0.0026316 k( 52) = ( 0.5000000 0.2352941 -0.0000000), wk = 0.0026316 k( 53) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0026316 k( 54) = ( 0.5000000 0.2647059 0.0000000), wk = 0.0026316 k( 55) = ( 0.5000000 0.2794118 0.0000000), wk = 0.0026316 k( 56) = ( 0.5000000 0.2941177 -0.0000000), wk = 0.0026316 k( 57) = ( 0.5000000 0.3088235 -0.0000000), wk = 0.0026316 k( 58) = ( 0.5000000 0.3235294 -0.0000000), wk = 0.0026316 k( 59) = ( 0.5000000 0.3382353 -0.0000000), wk = 0.0026316 k( 60) = ( 0.5000000 0.3529412 0.0000000), wk = 0.0026316 k( 61) = ( 0.5000000 0.3676471 -0.0000000), wk = 0.0026316 k( 62) = ( 0.5000000 0.3823529 0.0000000), wk = 0.0026316 k( 63) = ( 0.5000000 0.3970588 0.0000000), wk = 0.0026316 k( 64) = ( 0.5000000 0.4117647 0.0000000), wk = 0.0026316 k( 65) = ( 0.5000000 0.4264706 0.0000000), wk = 0.0026316 k( 66) = ( 0.5000000 0.4411765 -0.0000000), wk = 0.0026316 k( 67) = ( 0.5000000 0.4558823 0.0000000), wk = 0.0026316 k( 68) = ( 0.5000000 0.4705882 -0.0000000), wk = 0.0026316 k( 69) = ( 0.5000000 0.4852941 -0.0000000), wk = 0.0026316 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026316 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026316 k( 72) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0026316 k( 73) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0026316 k( 74) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0026316 k( 75) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0026316 k( 76) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0026316 k( 77) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0026316 k( 78) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0026316 k( 79) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0026316 k( 80) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0026316 k( 81) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0026316 k( 82) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0026316 k( 83) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0026316 k( 84) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0026316 k( 85) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0026316 k( 86) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0026316 k( 87) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0026316 k( 88) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026316 k( 89) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0026316 k( 90) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0026316 k( 91) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0026316 k( 92) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0026316 k( 93) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0026316 k( 94) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0026316 k( 95) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0026316 k( 96) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0026316 k( 97) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0026316 k( 98) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0026316 k( 99) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0026316 k( 100) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0026316 k( 101) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0026316 k( 102) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0026316 k( 103) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0026316 k( 104) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0026316 k( 105) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 106) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 107) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0026316 k( 108) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0026316 k( 109) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0026316 k( 110) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0026316 k( 111) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0026316 k( 112) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0026316 k( 113) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0026316 k( 114) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0026316 k( 115) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0026316 k( 116) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0026316 k( 117) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0026316 k( 118) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0026316 k( 119) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0026316 k( 120) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0026316 k( 121) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0026316 k( 122) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0026316 k( 123) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026316 k( 124) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0026316 k( 125) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0026316 k( 126) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0026316 k( 127) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0026316 k( 128) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0026316 k( 129) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0026316 k( 130) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0026316 k( 131) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0026316 k( 132) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0026316 k( 133) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0026316 k( 134) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0026316 k( 135) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0026316 k( 136) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0026316 k( 137) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0026316 k( 138) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0026316 k( 139) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0026316 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 142) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0026316 k( 143) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0026316 k( 144) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026316 k( 145) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0026316 k( 146) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0026316 k( 147) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026316 k( 148) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0026316 k( 149) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026316 k( 150) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0026316 k( 153) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026316 k( 154) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0026316 k( 155) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0026316 k( 156) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026316 k( 157) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026316 k( 158) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0026316 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026316 k( 160) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0026316 k( 161) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0026316 k( 162) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026316 k( 163) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0026316 k( 164) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0026316 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 167) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0026316 k( 168) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0026316 k( 169) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0026316 k( 170) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0026316 k( 171) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0026316 k( 172) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0026316 k( 173) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0026316 k( 174) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0026316 k( 175) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0026316 k( 176) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0026316 k( 177) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0026316 k( 178) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0026316 k( 179) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0026316 k( 180) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0026316 k( 181) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0026316 k( 182) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0026316 k( 183) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026316 k( 184) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0026316 k( 185) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0026316 k( 186) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0026316 k( 187) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0026316 k( 188) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0026316 k( 189) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0026316 k( 190) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0026316 k( 191) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0026316 k( 192) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0026316 k( 193) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0026316 k( 194) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0026316 k( 195) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0026316 k( 196) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0026316 k( 197) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0026316 k( 198) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0026316 k( 199) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0026316 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026316 k( 202) = ( 0.5000000 0.0147059 0.5000000), wk = 0.0026316 k( 203) = ( 0.5000000 0.0294118 0.5000000), wk = 0.0026316 k( 204) = ( 0.5000000 0.0441177 0.5000000), wk = 0.0026316 k( 205) = ( 0.5000000 0.0588235 0.5000000), wk = 0.0026316 k( 206) = ( 0.5000000 0.0735294 0.5000000), wk = 0.0026316 k( 207) = ( 0.5000000 0.0882353 0.5000000), wk = 0.0026316 k( 208) = ( 0.5000000 0.1029412 0.5000000), wk = 0.0026316 k( 209) = ( 0.5000000 0.1176471 0.5000000), wk = 0.0026316 k( 210) = ( 0.5000000 0.1323529 0.5000000), wk = 0.0026316 k( 211) = ( 0.5000000 0.1470588 0.5000000), wk = 0.0026316 k( 212) = ( 0.5000000 0.1617647 0.5000000), wk = 0.0026316 k( 213) = ( 0.5000000 0.1764706 0.5000000), wk = 0.0026316 k( 214) = ( 0.5000000 0.1911765 0.5000000), wk = 0.0026316 k( 215) = ( 0.5000000 0.2058823 0.5000000), wk = 0.0026316 k( 216) = ( 0.5000000 0.2205882 0.5000000), wk = 0.0026316 k( 217) = ( 0.5000000 0.2352941 0.5000000), wk = 0.0026316 k( 218) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0026316 k( 219) = ( 0.5000000 0.2647059 0.5000000), wk = 0.0026316 k( 220) = ( 0.5000000 0.2794118 0.5000000), wk = 0.0026316 k( 221) = ( 0.5000000 0.2941177 0.5000000), wk = 0.0026316 k( 222) = ( 0.5000000 0.3088235 0.5000000), wk = 0.0026316 k( 223) = ( 0.5000000 0.3235294 0.5000000), wk = 0.0026316 k( 224) = ( 0.5000000 0.3382353 0.5000000), wk = 0.0026316 k( 225) = ( 0.5000000 0.3529412 0.5000000), wk = 0.0026316 k( 226) = ( 0.5000000 0.3676471 0.5000000), wk = 0.0026316 k( 227) = ( 0.5000000 0.3823529 0.5000000), wk = 0.0026316 k( 228) = ( 0.5000000 0.3970588 0.5000000), wk = 0.0026316 k( 229) = ( 0.5000000 0.4117647 0.5000000), wk = 0.0026316 k( 230) = ( 0.5000000 0.4264706 0.5000000), wk = 0.0026316 k( 231) = ( 0.5000000 0.4411765 0.5000000), wk = 0.0026316 k( 232) = ( 0.5000000 0.4558823 0.5000000), wk = 0.0026316 k( 233) = ( 0.5000000 0.4705882 0.5000000), wk = 0.0026316 k( 234) = ( 0.5000000 0.4852941 0.5000000), wk = 0.0026316 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 237) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0026316 k( 238) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0026316 k( 239) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0026316 k( 240) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0026316 k( 241) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0026316 k( 242) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0026316 k( 243) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0026316 k( 244) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0026316 k( 245) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0026316 k( 246) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0026316 k( 247) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0026316 k( 248) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0026316 k( 249) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0026316 k( 250) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0026316 k( 251) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0026316 k( 252) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0026316 k( 253) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026316 k( 254) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0026316 k( 255) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0026316 k( 256) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0026316 k( 257) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0026316 k( 258) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0026316 k( 259) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0026316 k( 260) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0026316 k( 261) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0026316 k( 262) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0026316 k( 263) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0026316 k( 264) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0026316 k( 265) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0026316 k( 266) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0026316 k( 267) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0026316 k( 268) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0026316 k( 269) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0026316 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 271) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 272) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0026316 k( 273) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0026316 k( 274) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0026316 k( 275) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0026316 k( 276) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0026316 k( 277) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0026316 k( 278) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0026316 k( 279) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0026316 k( 280) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0026316 k( 281) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0026316 k( 282) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0026316 k( 283) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0026316 k( 284) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0026316 k( 285) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0026316 k( 286) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0026316 k( 287) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0026316 k( 288) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026316 k( 289) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0026316 k( 290) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0026316 k( 291) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0026316 k( 292) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0026316 k( 293) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0026316 k( 294) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0026316 k( 295) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0026316 k( 296) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0026316 k( 297) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0026316 k( 298) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0026316 k( 299) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0026316 k( 300) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0026316 k( 301) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0026316 k( 302) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0026316 k( 303) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0026316 k( 304) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0026316 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 306) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 307) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0026316 k( 308) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0026316 k( 309) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0026316 k( 310) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0026316 k( 311) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0026316 k( 312) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026316 k( 313) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0026316 k( 314) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026316 k( 315) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0026316 k( 316) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0026316 k( 317) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0026316 k( 318) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026316 k( 319) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0026316 k( 320) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0026316 k( 321) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0026316 k( 322) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026316 k( 323) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0026316 k( 324) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026316 k( 325) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0026316 k( 326) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0026316 k( 327) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0026316 k( 328) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0026316 k( 329) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0026316 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026316 k( 332) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0026316 k( 333) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0026316 k( 334) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0026316 k( 335) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0026316 k( 336) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0026316 k( 337) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0026316 k( 338) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0026316 k( 339) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026316 k( 340) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0026316 k( 341) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0026316 k( 342) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0026316 k( 343) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026316 k( 344) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0026316 k( 345) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0026316 k( 346) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0026316 k( 347) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026316 k( 348) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0026316 k( 349) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0026316 k( 350) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0026316 k( 351) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0026316 k( 352) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0026316 k( 353) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0026316 k( 354) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0026316 k( 355) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026316 k( 356) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026316 k( 357) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0026316 k( 358) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0026316 k( 359) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0026316 k( 360) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0026316 k( 361) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0026316 k( 362) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026316 k( 363) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0026316 k( 364) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0026316 k( 365) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0026316 k( 366) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0026316 k( 367) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0026316 k( 368) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026316 k( 369) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0026316 k( 370) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0026316 k( 371) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0026316 k( 372) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0026316 k( 373) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0026316 k( 374) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026316 k( 375) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0026316 k( 376) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0026316 k( 377) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0026316 k( 378) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0026316 k( 379) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0026316 k( 380) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 Dense grid: 267163 G-vectors FFT dimensions: ( 72, 72, 100) Smooth grid: 33409 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 252, 44) NL pseudopotentials 0.26 Mb ( 126, 136) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.06 Mb ( 7421) G-vector shells 0.03 Mb ( 3766) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 252, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CdS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.0 secs Computing kpt #: 24 total cpu time spent up to now is 14.4 secs Computing kpt #: 25 total cpu time spent up to now is 14.8 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.0 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 17.8 secs Computing kpt #: 34 total cpu time spent up to now is 18.2 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 18.9 secs Computing kpt #: 37 total cpu time spent up to now is 19.3 secs Computing kpt #: 38 total cpu time spent up to now is 19.6 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.3 secs Computing kpt #: 41 total cpu time spent up to now is 20.7 secs Computing kpt #: 42 total cpu time spent up to now is 21.0 secs Computing kpt #: 43 total cpu time spent up to now is 21.4 secs Computing kpt #: 44 total cpu time spent up to now is 21.7 secs Computing kpt #: 45 total cpu time spent up to now is 22.1 secs Computing kpt #: 46 total cpu time spent up to now is 22.5 secs Computing kpt #: 47 total cpu time spent up to now is 22.8 secs Computing kpt #: 48 total cpu time spent up to now is 23.2 secs Computing kpt #: 49 total cpu time spent up to now is 23.5 secs Computing kpt #: 50 total cpu time spent up to now is 23.9 secs Computing kpt #: 51 total cpu time spent up to now is 24.3 secs Computing kpt #: 52 total cpu time spent up to now is 24.6 secs Computing kpt #: 53 total cpu time spent up to now is 25.0 secs Computing kpt #: 54 total cpu time spent up to now is 25.4 secs Computing kpt #: 55 total cpu time spent up to now is 25.7 secs Computing kpt #: 56 total cpu time spent up to now is 26.2 secs Computing kpt #: 57 total cpu time spent up to now is 26.6 secs Computing kpt #: 58 total cpu time spent up to now is 27.0 secs Computing kpt #: 59 total cpu time spent up to now is 27.4 secs Computing kpt #: 60 total cpu time spent up to now is 27.9 secs Computing kpt #: 61 total cpu time spent up to now is 28.3 secs Computing kpt #: 62 total cpu time spent up to now is 28.9 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 29.9 secs Computing kpt #: 65 total cpu time spent up to now is 30.4 secs Computing kpt #: 66 total cpu time spent up to now is 30.9 secs Computing kpt #: 67 total cpu time spent up to now is 31.4 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.6 secs Computing kpt #: 73 total cpu time spent up to now is 34.0 secs Computing kpt #: 74 total cpu time spent up to now is 34.4 secs Computing kpt #: 75 total cpu time spent up to now is 34.9 secs Computing kpt #: 76 total cpu time spent up to now is 35.3 secs Computing kpt #: 77 total cpu time spent up to now is 35.7 secs Computing kpt #: 78 total cpu time spent up to now is 36.1 secs Computing kpt #: 79 total cpu time spent up to now is 36.6 secs Computing kpt #: 80 total cpu time spent up to now is 37.0 secs Computing kpt #: 81 total cpu time spent up to now is 37.5 secs Computing kpt #: 82 total cpu time spent up to now is 37.9 secs Computing kpt #: 83 total cpu time spent up to now is 38.4 secs Computing kpt #: 84 total cpu time spent up to now is 39.0 secs Computing kpt #: 85 total cpu time spent up to now is 39.5 secs Computing kpt #: 86 total cpu time spent up to now is 39.9 secs Computing kpt #: 87 total cpu time spent up to now is 40.4 secs Computing kpt #: 88 total cpu time spent up to now is 40.8 secs Computing kpt #: 89 total cpu time spent up to now is 41.2 secs Computing kpt #: 90 total cpu time spent up to now is 41.6 secs Computing kpt #: 91 total cpu time spent up to now is 42.0 secs Computing kpt #: 92 total cpu time spent up to now is 42.3 secs Computing kpt #: 93 total cpu time spent up to now is 42.7 secs Computing kpt #: 94 total cpu time spent up to now is 43.0 secs Computing kpt #: 95 total cpu time spent up to now is 43.4 secs Computing kpt #: 96 total cpu time spent up to now is 43.8 secs Computing kpt #: 97 total cpu time spent up to now is 44.1 secs Computing kpt #: 98 total cpu time spent up to now is 44.5 secs Computing kpt #: 99 total cpu time spent up to now is 44.8 secs Computing kpt #: 100 total cpu time spent up to now is 45.2 secs Computing kpt #: 101 total cpu time spent up to now is 45.5 secs Computing kpt #: 102 total cpu time spent up to now is 45.9 secs Computing kpt #: 103 total cpu time spent up to now is 46.2 secs Computing kpt #: 104 total cpu time spent up to now is 46.6 secs Computing kpt #: 105 total cpu time spent up to now is 46.9 secs Computing kpt #: 106 total cpu time spent up to now is 47.3 secs Computing kpt #: 107 total cpu time spent up to now is 47.6 secs Computing kpt #: 108 total cpu time spent up to now is 48.0 secs Computing kpt #: 109 total cpu time spent up to now is 48.3 secs Computing kpt #: 110 total cpu time spent up to now is 48.7 secs Computing kpt #: 111 total cpu time spent up to now is 49.0 secs Computing kpt #: 112 total cpu time spent up to now is 49.4 secs Computing kpt #: 113 total cpu time spent up to now is 49.8 secs Computing kpt #: 114 total cpu time spent up to now is 50.2 secs Computing kpt #: 115 total cpu time spent up to now is 50.7 secs Computing kpt #: 116 total cpu time spent up to now is 51.1 secs Computing kpt #: 117 total cpu time spent up to now is 51.5 secs Computing kpt #: 118 total cpu time spent up to now is 52.0 secs Computing kpt #: 119 total cpu time spent up to now is 52.5 secs Computing kpt #: 120 total cpu time spent up to now is 53.0 secs Computing kpt #: 121 total cpu time spent up to now is 53.4 secs Computing kpt #: 122 total cpu time spent up to now is 53.8 secs Computing kpt #: 123 total cpu time spent up to now is 54.2 secs Computing kpt #: 124 total cpu time spent up to now is 54.6 secs Computing kpt #: 125 total cpu time spent up to now is 54.9 secs Computing kpt #: 126 total cpu time spent up to now is 55.3 secs Computing kpt #: 127 total cpu time spent up to now is 55.7 secs Computing kpt #: 128 total cpu time spent up to now is 56.1 secs Computing kpt #: 129 total cpu time spent up to now is 56.4 secs Computing kpt #: 130 total cpu time spent up to now is 56.9 secs Computing kpt #: 131 total cpu time spent up to now is 57.3 secs Computing kpt #: 132 total cpu time spent up to now is 57.7 secs Computing kpt #: 133 total cpu time spent up to now is 58.1 secs Computing kpt #: 134 total cpu time spent up to now is 58.6 secs Computing kpt #: 135 total cpu time spent up to now is 59.0 secs Computing kpt #: 136 total cpu time spent up to now is 59.5 secs Computing kpt #: 137 total cpu time spent up to now is 60.1 secs Computing kpt #: 138 total cpu time spent up to now is 60.6 secs Computing kpt #: 139 total cpu time spent up to now is 61.2 secs Computing kpt #: 140 total cpu time spent up to now is 62.0 secs Computing kpt #: 141 total cpu time spent up to now is 62.7 secs Computing kpt #: 142 total cpu time spent up to now is 63.4 secs Computing kpt #: 143 total cpu time spent up to now is 63.9 secs Computing kpt #: 144 total cpu time spent up to now is 64.5 secs Computing kpt #: 145 total cpu time spent up to now is 65.1 secs Computing kpt #: 146 total cpu time spent up to now is 65.7 secs Computing kpt #: 147 total cpu time spent up to now is 66.3 secs Computing kpt #: 148 total cpu time spent up to now is 66.9 secs Computing kpt #: 149 total cpu time spent up to now is 67.5 secs Computing kpt #: 150 total cpu time spent up to now is 68.2 secs Computing kpt #: 151 total cpu time spent up to now is 69.0 secs Computing kpt #: 152 total cpu time spent up to now is 69.6 secs Computing kpt #: 153 total cpu time spent up to now is 70.1 secs Computing kpt #: 154 total cpu time spent up to now is 70.6 secs Computing kpt #: 155 total cpu time spent up to now is 71.0 secs Computing kpt #: 156 total cpu time spent up to now is 71.4 secs Computing kpt #: 157 total cpu time spent up to now is 71.8 secs Computing kpt #: 158 total cpu time spent up to now is 72.2 secs Computing kpt #: 159 total cpu time spent up to now is 72.6 secs Computing kpt #: 160 total cpu time spent up to now is 73.0 secs Computing kpt #: 161 total cpu time spent up to now is 73.4 secs Computing kpt #: 162 total cpu time spent up to now is 73.7 secs Computing kpt #: 163 total cpu time spent up to now is 74.1 secs Computing kpt #: 164 total cpu time spent up to now is 74.5 secs Computing kpt #: 165 total cpu time spent up to now is 74.8 secs Computing kpt #: 166 total cpu time spent up to now is 75.2 secs Computing kpt #: 167 total cpu time spent up to now is 75.6 secs Computing kpt #: 168 total cpu time spent up to now is 75.9 secs Computing kpt #: 169 total cpu time spent up to now is 76.3 secs Computing kpt #: 170 total cpu time spent up to now is 76.7 secs Computing kpt #: 171 total cpu time spent up to now is 77.0 secs Computing kpt #: 172 total cpu time spent up to now is 77.4 secs Computing kpt #: 173 total cpu time spent up to now is 77.8 secs Computing kpt #: 174 total cpu time spent up to now is 78.2 secs Computing kpt #: 175 total cpu time spent up to now is 78.6 secs Computing kpt #: 176 total cpu time spent up to now is 78.9 secs Computing kpt #: 177 total cpu time spent up to now is 79.3 secs Computing kpt #: 178 total cpu time spent up to now is 79.7 secs Computing kpt #: 179 total cpu time spent up to now is 80.1 secs Computing kpt #: 180 total cpu time spent up to now is 80.5 secs Computing kpt #: 181 total cpu time spent up to now is 80.8 secs Computing kpt #: 182 total cpu time spent up to now is 81.2 secs Computing kpt #: 183 total cpu time spent up to now is 81.6 secs Computing kpt #: 184 total cpu time spent up to now is 82.0 secs Computing kpt #: 185 total cpu time spent up to now is 82.4 secs Computing kpt #: 186 total cpu time spent up to now is 82.8 secs Computing kpt #: 187 total cpu time spent up to now is 83.1 secs Computing kpt #: 188 total cpu time spent up to now is 83.5 secs Computing kpt #: 189 total cpu time spent up to now is 83.9 secs Computing kpt #: 190 total cpu time spent up to now is 84.2 secs Computing kpt #: 191 total cpu time spent up to now is 84.6 secs Computing kpt #: 192 total cpu time spent up to now is 85.0 secs Computing kpt #: 193 total cpu time spent up to now is 85.3 secs Computing kpt #: 194 total cpu time spent up to now is 85.7 secs Computing kpt #: 195 total cpu time spent up to now is 86.0 secs Computing kpt #: 196 total cpu time spent up to now is 86.4 secs Computing kpt #: 197 total cpu time spent up to now is 86.7 secs Computing kpt #: 198 total cpu time spent up to now is 87.1 secs Computing kpt #: 199 total cpu time spent up to now is 87.4 secs Computing kpt #: 200 total cpu time spent up to now is 87.8 secs Computing kpt #: 201 total cpu time spent up to now is 88.1 secs Computing kpt #: 202 total cpu time spent up to now is 88.5 secs Computing kpt #: 203 total cpu time spent up to now is 88.8 secs Computing kpt #: 204 total cpu time spent up to now is 89.2 secs Computing kpt #: 205 total cpu time spent up to now is 89.5 secs Computing kpt #: 206 total cpu time spent up to now is 89.9 secs Computing kpt #: 207 total cpu time spent up to now is 90.2 secs Computing kpt #: 208 total cpu time spent up to now is 90.6 secs Computing kpt #: 209 total cpu time spent up to now is 91.0 secs Computing kpt #: 210 total cpu time spent up to now is 91.3 secs Computing kpt #: 211 total cpu time spent up to now is 91.7 secs Computing kpt #: 212 total cpu time spent up to now is 92.1 secs Computing kpt #: 213 total cpu time spent up to now is 92.4 secs Computing kpt #: 214 total cpu time spent up to now is 92.8 secs Computing kpt #: 215 total cpu time spent up to now is 93.2 secs Computing kpt #: 216 total cpu time spent up to now is 93.5 secs Computing kpt #: 217 total cpu time spent up to now is 93.9 secs Computing kpt #: 218 total cpu time spent up to now is 94.3 secs Computing kpt #: 219 total cpu time spent up to now is 94.6 secs Computing kpt #: 220 total cpu time spent up to now is 95.0 secs Computing kpt #: 221 total cpu time spent up to now is 95.4 secs Computing kpt #: 222 total cpu time spent up to now is 95.8 secs Computing kpt #: 223 total cpu time spent up to now is 96.2 secs Computing kpt #: 224 total cpu time spent up to now is 96.6 secs Computing kpt #: 225 total cpu time spent up to now is 96.9 secs Computing kpt #: 226 total cpu time spent up to now is 97.3 secs Computing kpt #: 227 total cpu time spent up to now is 97.7 secs Computing kpt #: 228 total cpu time spent up to now is 98.1 secs Computing kpt #: 229 total cpu time spent up to now is 98.4 secs Computing kpt #: 230 total cpu time spent up to now is 98.8 secs Computing kpt #: 231 total cpu time spent up to now is 99.2 secs Computing kpt #: 232 total cpu time spent up to now is 99.5 secs Computing kpt #: 233 total cpu time spent up to now is 99.9 secs Computing kpt #: 234 total cpu time spent up to now is 100.2 secs Computing kpt #: 235 total cpu time spent up to now is 100.5 secs Computing kpt #: 236 total cpu time spent up to now is 100.9 secs Computing kpt #: 237 total cpu time spent up to now is 101.2 secs Computing kpt #: 238 total cpu time spent up to now is 101.6 secs Computing kpt #: 239 total cpu time spent up to now is 101.9 secs Computing kpt #: 240 total cpu time spent up to now is 102.3 secs Computing kpt #: 241 total cpu time spent up to now is 102.6 secs Computing kpt #: 242 total cpu time spent up to now is 102.9 secs Computing kpt #: 243 total cpu time spent up to now is 103.3 secs Computing kpt #: 244 total cpu time spent up to now is 103.6 secs Computing kpt #: 245 total cpu time spent up to now is 104.0 secs Computing kpt #: 246 total cpu time spent up to now is 104.3 secs Computing kpt #: 247 total cpu time spent up to now is 104.7 secs Computing kpt #: 248 total cpu time spent up to now is 105.0 secs Computing kpt #: 249 total cpu time spent up to now is 105.3 secs Computing kpt #: 250 total cpu time spent up to now is 105.7 secs Computing kpt #: 251 total cpu time spent up to now is 106.0 secs Computing kpt #: 252 total cpu time spent up to now is 106.4 secs Computing kpt #: 253 total cpu time spent up to now is 106.7 secs Computing kpt #: 254 total cpu time spent up to now is 107.0 secs Computing kpt #: 255 total cpu time spent up to now is 107.4 secs Computing kpt #: 256 total cpu time spent up to now is 107.7 secs Computing kpt #: 257 total cpu time spent up to now is 108.0 secs Computing kpt #: 258 total cpu time spent up to now is 108.3 secs Computing kpt #: 259 total cpu time spent up to now is 108.6 secs Computing kpt #: 260 total cpu time spent up to now is 109.0 secs Computing kpt #: 261 total cpu time spent up to now is 109.3 secs Computing kpt #: 262 total cpu time spent up to now is 109.6 secs Computing kpt #: 263 total cpu time spent up to now is 109.9 secs Computing kpt #: 264 total cpu time spent up to now is 110.2 secs Computing kpt #: 265 total cpu time spent up to now is 110.5 secs Computing kpt #: 266 total cpu time spent up to now is 110.9 secs Computing kpt #: 267 total cpu time spent up to now is 111.2 secs Computing kpt #: 268 total cpu time spent up to now is 111.5 secs Computing kpt #: 269 total cpu time spent up to now is 111.8 secs Computing kpt #: 270 total cpu time spent up to now is 112.1 secs Computing kpt #: 271 total cpu time spent up to now is 112.5 secs Computing kpt #: 272 total cpu time spent up to now is 112.9 secs Computing kpt #: 273 total cpu time spent up to now is 113.3 secs Computing kpt #: 274 total cpu time spent up to now is 113.7 secs Computing kpt #: 275 total cpu time spent up to now is 114.1 secs Computing kpt #: 276 total cpu time spent up to now is 114.4 secs Computing kpt #: 277 total cpu time spent up to now is 114.7 secs Computing kpt #: 278 total cpu time spent up to now is 115.1 secs Computing kpt #: 279 total cpu time spent up to now is 115.4 secs Computing kpt #: 280 total cpu time spent up to now is 115.7 secs Computing kpt #: 281 total cpu time spent up to now is 116.0 secs Computing kpt #: 282 total cpu time spent up to now is 116.4 secs Computing kpt #: 283 total cpu time spent up to now is 116.7 secs Computing kpt #: 284 total cpu time spent up to now is 117.0 secs Computing kpt #: 285 total cpu time spent up to now is 117.4 secs Computing kpt #: 286 total cpu time spent up to now is 117.7 secs Computing kpt #: 287 total cpu time spent up to now is 118.1 secs Computing kpt #: 288 total cpu time spent up to now is 118.4 secs Computing kpt #: 289 total cpu time spent up to now is 118.8 secs Computing kpt #: 290 total cpu time spent up to now is 119.1 secs Computing kpt #: 291 total cpu time spent up to now is 119.5 secs Computing kpt #: 292 total cpu time spent up to now is 119.8 secs Computing kpt #: 293 total cpu time spent up to now is 120.2 secs Computing kpt #: 294 total cpu time spent up to now is 120.5 secs Computing kpt #: 295 total cpu time spent up to now is 120.9 secs Computing kpt #: 296 total cpu time spent up to now is 121.3 secs Computing kpt #: 297 total cpu time spent up to now is 121.6 secs Computing kpt #: 298 total cpu time spent up to now is 122.0 secs Computing kpt #: 299 total cpu time spent up to now is 122.4 secs Computing kpt #: 300 total cpu time spent up to now is 122.7 secs Computing kpt #: 301 total cpu time spent up to now is 123.1 secs Computing kpt #: 302 total cpu time spent up to now is 123.5 secs Computing kpt #: 303 total cpu time spent up to now is 123.8 secs Computing kpt #: 304 total cpu time spent up to now is 124.2 secs Computing kpt #: 305 total cpu time spent up to now is 124.6 secs Computing kpt #: 306 total cpu time spent up to now is 124.9 secs Computing kpt #: 307 total cpu time spent up to now is 125.3 secs Computing kpt #: 308 total cpu time spent up to now is 125.6 secs Computing kpt #: 309 total cpu time spent up to now is 126.0 secs Computing kpt #: 310 total cpu time spent up to now is 126.3 secs Computing kpt #: 311 total cpu time spent up to now is 126.7 secs Computing kpt #: 312 total cpu time spent up to now is 127.0 secs Computing kpt #: 313 total cpu time spent up to now is 127.4 secs Computing kpt #: 314 total cpu time spent up to now is 127.8 secs Computing kpt #: 315 total cpu time spent up to now is 128.1 secs Computing kpt #: 316 total cpu time spent up to now is 128.5 secs Computing kpt #: 317 total cpu time spent up to now is 128.8 secs Computing kpt #: 318 total cpu time spent up to now is 129.2 secs Computing kpt #: 319 total cpu time spent up to now is 129.5 secs Computing kpt #: 320 total cpu time spent up to now is 129.8 secs Computing kpt #: 321 total cpu time spent up to now is 130.2 secs Computing kpt #: 322 total cpu time spent up to now is 130.5 secs Computing kpt #: 323 total cpu time spent up to now is 130.8 secs Computing kpt #: 324 total cpu time spent up to now is 131.1 secs Computing kpt #: 325 total cpu time spent up to now is 131.5 secs Computing kpt #: 326 total cpu time spent up to now is 131.8 secs Computing kpt #: 327 total cpu time spent up to now is 132.1 secs Computing kpt #: 328 total cpu time spent up to now is 132.4 secs Computing kpt #: 329 total cpu time spent up to now is 132.7 secs Computing kpt #: 330 total cpu time spent up to now is 133.0 secs Computing kpt #: 331 total cpu time spent up to now is 133.4 secs Computing kpt #: 332 total cpu time spent up to now is 133.7 secs Computing kpt #: 333 total cpu time spent up to now is 134.1 secs Computing kpt #: 334 total cpu time spent up to now is 134.4 secs Computing kpt #: 335 total cpu time spent up to now is 134.8 secs Computing kpt #: 336 total cpu time spent up to now is 135.1 secs Computing kpt #: 337 total cpu time spent up to now is 135.5 secs Computing kpt #: 338 total cpu time spent up to now is 135.9 secs Computing kpt #: 339 total cpu time spent up to now is 136.2 secs Computing kpt #: 340 total cpu time spent up to now is 136.6 secs Computing kpt #: 341 total cpu time spent up to now is 137.0 secs Computing kpt #: 342 total cpu time spent up to now is 137.5 secs Computing kpt #: 343 total cpu time spent up to now is 137.9 secs Computing kpt #: 344 total cpu time spent up to now is 138.3 secs Computing kpt #: 345 total cpu time spent up to now is 138.7 secs Computing kpt #: 346 total cpu time spent up to now is 139.1 secs Computing kpt #: 347 total cpu time spent up to now is 139.6 secs Computing kpt #: 348 total cpu time spent up to now is 140.1 secs Computing kpt #: 349 total cpu time spent up to now is 140.5 secs Computing kpt #: 350 total cpu time spent up to now is 140.9 secs Computing kpt #: 351 total cpu time spent up to now is 141.4 secs Computing kpt #: 352 total cpu time spent up to now is 141.8 secs Computing kpt #: 353 total cpu time spent up to now is 142.2 secs Computing kpt #: 354 total cpu time spent up to now is 142.6 secs Computing kpt #: 355 total cpu time spent up to now is 142.9 secs Computing kpt #: 356 total cpu time spent up to now is 143.4 secs Computing kpt #: 357 total cpu time spent up to now is 143.8 secs Computing kpt #: 358 total cpu time spent up to now is 144.2 secs Computing kpt #: 359 total cpu time spent up to now is 144.7 secs Computing kpt #: 360 total cpu time spent up to now is 145.1 secs Computing kpt #: 361 total cpu time spent up to now is 145.5 secs Computing kpt #: 362 total cpu time spent up to now is 145.9 secs Computing kpt #: 363 total cpu time spent up to now is 146.4 secs Computing kpt #: 364 total cpu time spent up to now is 146.8 secs Computing kpt #: 365 total cpu time spent up to now is 147.2 secs Computing kpt #: 366 total cpu time spent up to now is 147.6 secs Computing kpt #: 367 total cpu time spent up to now is 148.0 secs Computing kpt #: 368 total cpu time spent up to now is 148.5 secs Computing kpt #: 369 total cpu time spent up to now is 148.9 secs Computing kpt #: 370 total cpu time spent up to now is 149.3 secs Computing kpt #: 371 total cpu time spent up to now is 149.7 secs Computing kpt #: 372 total cpu time spent up to now is 150.1 secs Computing kpt #: 373 total cpu time spent up to now is 150.5 secs Computing kpt #: 374 total cpu time spent up to now is 150.8 secs Computing kpt #: 375 total cpu time spent up to now is 151.2 secs Computing kpt #: 376 total cpu time spent up to now is 151.6 secs Computing kpt #: 377 total cpu time spent up to now is 151.9 secs Computing kpt #: 378 total cpu time spent up to now is 152.3 secs Computing kpt #: 379 total cpu time spent up to now is 152.6 secs Computing kpt #: 380 total cpu time spent up to now is 152.9 secs ethr = 2.78E-08, avg # of iterations = 21.1 total cpu time spent up to now is 152.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4165 PWs) bands (ev): -8.6221 -8.6221 -8.3456 -8.3456 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9572 -5.9572 -5.3318 -5.3318 -5.3066 -5.3066 -5.3008 -5.3008 -5.2891 -5.2891 -5.2769 -5.2769 -5.2457 -5.2457 0.4283 0.4283 0.6006 0.6006 1.1706 1.1706 1.2889 1.2889 1.6269 1.6269 1.8323 1.8323 2.1456 2.1456 2.1749 2.1749 6.8499 6.8499 8.3545 8.3545 k = 0.0147-0.0000-0.0000 ( 4171 PWs) bands (ev): -8.6218 -8.6218 -8.3454 -8.3454 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9573 -5.9573 -5.3318 -5.3318 -5.3066 -5.3066 -5.3008 -5.3008 -5.2892 -5.2892 -5.2770 -5.2770 -5.2458 -5.2458 0.4292 0.4292 0.5876 0.5876 1.1715 1.1715 1.3030 1.3030 1.6168 1.6168 1.8329 1.8329 2.1533 2.1533 2.1776 2.1776 6.8464 6.8464 8.3479 8.3479 k = 0.0294-0.0000-0.0000 ( 4171 PWs) bands (ev): -8.6210 -8.6210 -8.3450 -8.3450 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9575 -5.9575 -5.3318 -5.3318 -5.3066 -5.3066 -5.3008 -5.3008 -5.2893 -5.2893 -5.2771 -5.2771 -5.2460 -5.2460 0.4320 0.4320 0.5514 0.5514 1.1740 1.1740 1.3426 1.3426 1.5888 1.5888 1.8347 1.8347 2.1629 2.1629 2.1970 2.1970 6.8359 6.8359 8.3285 8.3285 k = 0.0441-0.0000-0.0000 ( 4173 PWs) bands (ev): -8.6197 -8.6197 -8.3442 -8.3442 -6.0215 -6.0215 -5.9974 -5.9974 -5.9935 -5.9935 -5.9579 -5.9579 -5.3318 -5.3318 -5.3066 -5.3066 -5.3009 -5.3009 -5.2895 -5.2895 -5.2773 -5.2773 -5.2464 -5.2464 0.4365 0.4365 0.4983 0.4983 1.1782 1.1782 1.4012 1.4012 1.5477 1.5477 1.8376 1.8376 2.1637 2.1637 2.2390 2.2390 6.8185 6.8185 8.2976 8.2976 k = 0.0588-0.0000-0.0000 ( 4177 PWs) bands (ev): -8.6179 -8.6179 -8.3431 -8.3431 -6.0216 -6.0216 -5.9974 -5.9974 -5.9936 -5.9936 -5.9584 -5.9584 -5.3318 -5.3318 -5.3065 -5.3065 -5.3009 -5.3009 -5.2898 -5.2898 -5.2775 -5.2775 -5.2470 -5.2470 0.4340 0.4340 0.4431 0.4431 1.1841 1.1841 1.4728 1.4728 1.4984 1.4984 1.8416 1.8416 2.1617 2.1617 2.2930 2.2930 6.7948 6.7948 8.2566 8.2566 k = 0.0735-0.0000-0.0000 ( 4182 PWs) bands (ev): -8.6156 -8.6156 -8.3418 -8.3418 -6.0217 -6.0217 -5.9974 -5.9974 -5.9938 -5.9938 -5.9590 -5.9590 -5.3319 -5.3319 -5.3065 -5.3065 -5.3010 -5.3010 -5.2902 -5.2902 -5.2779 -5.2779 -5.2477 -5.2477 0.3636 0.3636 0.4511 0.4511 1.1915 1.1915 1.4438 1.4438 1.5532 1.5532 1.8468 1.8468 2.1584 2.1584 2.3540 2.3540 6.7651 6.7651 8.2068 8.2068 k = 0.0882-0.0000-0.0000 ( 4182 PWs) bands (ev): -8.6128 -8.6128 -8.3401 -8.3401 -6.0217 -6.0217 -5.9974 -5.9974 -5.9939 -5.9939 -5.9598 -5.9598 -5.3319 -5.3319 -5.3065 -5.3065 -5.3011 -5.3011 -5.2906 -5.2906 -5.2782 -5.2782 -5.2485 -5.2485 0.2893 0.2893 0.4610 0.4610 1.2003 1.2003 1.3869 1.3869 1.6389 1.6389 1.8533 1.8533 2.1542 2.1542 2.4197 2.4197 6.7300 6.7300 8.1492 8.1492 k = 0.1029-0.0000-0.0000 ( 4180 PWs) bands (ev): -8.6095 -8.6095 -8.3382 -8.3382 -6.0218 -6.0218 -5.9974 -5.9974 -5.9941 -5.9941 -5.9607 -5.9607 -5.3320 -5.3320 -5.3066 -5.3066 -5.3011 -5.3011 -5.2911 -5.2911 -5.2786 -5.2786 -5.2495 -5.2495 0.2132 0.2132 0.4726 0.4726 1.2097 1.2097 1.3295 1.3295 1.7274 1.7274 1.8620 1.8620 2.1492 2.1492 2.4886 2.4886 6.6902 6.6902 8.0847 8.0847 k = 0.1176-0.0000-0.0000 ( 4180 PWs) bands (ev): -8.6059 -8.6059 -8.3361 -8.3361 -6.0219 -6.0219 -5.9974 -5.9974 -5.9943 -5.9943 -5.9618 -5.9618 -5.3320 -5.3320 -5.3068 -5.3068 -5.3011 -5.3011 -5.2916 -5.2916 -5.2791 -5.2791 -5.2506 -5.2506 0.1366 0.1366 0.4860 0.4860 1.2158 1.2158 1.2764 1.2764 1.8121 1.8121 1.8780 1.8780 2.1434 2.1434 2.5598 2.5598 6.6463 6.6463 8.0139 8.0139 k = 0.1324-0.0000-0.0000 ( 4178 PWs) bands (ev): -8.6017 -8.6017 -8.3337 -8.3337 -6.0220 -6.0220 -5.9974 -5.9974 -5.9945 -5.9945 -5.9629 -5.9629 -5.3321 -5.3321 -5.3071 -5.3071 -5.3011 -5.3011 -5.2921 -5.2921 -5.2796 -5.2796 -5.2518 -5.2518 0.0601 0.0601 0.5009 0.5009 1.1934 1.1934 1.2534 1.2534 1.8596 1.8596 1.9337 1.9337 2.1370 2.1370 2.6325 2.6325 6.5989 6.5989 7.9376 7.9376 k = 0.1471-0.0000-0.0000 ( 4176 PWs) bands (ev): -8.5973 -8.5973 -8.3312 -8.3312 -6.0221 -6.0221 -5.9973 -5.9973 -5.9948 -5.9948 -5.9642 -5.9642 -5.3322 -5.3322 -5.3076 -5.3076 -5.3009 -5.3009 -5.2926 -5.2926 -5.2802 -5.2802 -5.2531 -5.2531 -0.0155 -0.0155 0.5175 0.5175 1.1412 1.1412 1.2623 1.2623 1.8750 1.8750 2.0223 2.0223 2.1309 2.1309 2.7065 2.7065 6.5487 6.5487 7.8562 7.8562 k = 0.1618-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.5924 -8.5924 -8.3284 -8.3284 -6.0222 -6.0222 -5.9973 -5.9973 -5.9951 -5.9951 -5.9656 -5.9656 -5.3323 -5.3323 -5.3083 -5.3083 -5.3007 -5.3007 -5.2931 -5.2931 -5.2808 -5.2808 -5.2545 -5.2545 -0.0898 -0.0898 0.5356 0.5356 1.0850 1.0850 1.2775 1.2775 1.8861 1.8861 2.1002 2.1002 2.1405 2.1405 2.7813 2.7813 6.4963 6.4963 7.7703 7.7703 k = 0.1765-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5873 -8.5873 -8.3255 -8.3255 -6.0223 -6.0223 -5.9973 -5.9973 -5.9954 -5.9954 -5.9671 -5.9671 -5.3323 -5.3323 -5.3091 -5.3091 -5.3004 -5.3004 -5.2936 -5.2936 -5.2814 -5.2814 -5.2560 -5.2560 -0.1625 -0.1625 0.5551 0.5551 1.0289 1.0289 1.2949 1.2949 1.8967 1.8967 2.1051 2.1051 2.2239 2.2239 2.8569 2.8569 6.4424 6.4424 7.6805 7.6805 k = 0.1912-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.5819 -8.5819 -8.3224 -8.3224 -6.0224 -6.0224 -5.9973 -5.9973 -5.9958 -5.9958 -5.9686 -5.9686 -5.3324 -5.3324 -5.3102 -5.3102 -5.3000 -5.3000 -5.2940 -5.2940 -5.2820 -5.2820 -5.2575 -5.2575 -0.2333 -0.2333 0.5760 0.5760 0.9739 0.9739 1.3139 1.3139 1.9072 1.9072 2.0962 2.0962 2.3209 2.3209 2.9330 2.9330 6.3875 6.3875 7.5875 7.5875 k = 0.2059-0.0000-0.0000 ( 4178 PWs) bands (ev): -8.5762 -8.5762 -8.3192 -8.3192 -6.0224 -6.0224 -5.9973 -5.9973 -5.9962 -5.9962 -5.9702 -5.9702 -5.3325 -5.3325 -5.3113 -5.3113 -5.2995 -5.2995 -5.2944 -5.2944 -5.2826 -5.2826 -5.2591 -5.2591 -0.3019 -0.3019 0.5983 0.5983 0.9204 0.9204 1.3340 1.3340 1.9177 1.9177 2.0854 2.0854 2.4193 2.4193 3.0094 3.0094 6.3321 6.3321 7.4917 7.4917 k = 0.2206-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5704 -8.5704 -8.3160 -8.3160 -6.0225 -6.0225 -5.9973 -5.9973 -5.9966 -5.9966 -5.9719 -5.9719 -5.3326 -5.3326 -5.3126 -5.3126 -5.2990 -5.2990 -5.2948 -5.2948 -5.2832 -5.2832 -5.2608 -5.2608 -0.3682 -0.3682 0.6217 0.6217 0.8686 0.8686 1.3552 1.3552 1.9281 1.9281 2.0735 2.0735 2.5180 2.5180 3.0861 3.0861 6.2768 6.2768 7.3936 7.3936 k = 0.2353-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5644 -8.5644 -8.3127 -8.3127 -6.0226 -6.0226 -5.9972 -5.9972 -5.9971 -5.9971 -5.9736 -5.9736 -5.3327 -5.3327 -5.3140 -5.3140 -5.2985 -5.2985 -5.2952 -5.2952 -5.2838 -5.2838 -5.2624 -5.2624 -0.4320 -0.4320 0.6461 0.6461 0.8187 0.8187 1.3771 1.3771 1.9381 1.9381 2.0610 2.0610 2.6165 2.6165 3.1630 3.1630 6.2220 6.2220 7.2939 7.2939 k = 0.2500-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5583 -8.5583 -8.3094 -8.3094 -6.0226 -6.0226 -5.9976 -5.9976 -5.9972 -5.9972 -5.9754 -5.9754 -5.3328 -5.3328 -5.3155 -5.3155 -5.2979 -5.2979 -5.2956 -5.2956 -5.2843 -5.2843 -5.2641 -5.2641 -0.4932 -0.4932 0.6712 0.6712 0.7712 0.7712 1.3997 1.3997 1.9475 1.9475 2.0480 2.0480 2.7145 2.7145 3.2398 3.2398 6.1680 6.1680 7.1931 7.1931 k = 0.2647-0.0000-0.0000 ( 4190 PWs) bands (ev): -8.5522 -8.5522 -8.3061 -8.3061 -6.0226 -6.0226 -5.9982 -5.9982 -5.9972 -5.9972 -5.9771 -5.9771 -5.3329 -5.3329 -5.3170 -5.3170 -5.2974 -5.2974 -5.2958 -5.2958 -5.2849 -5.2849 -5.2658 -5.2658 -0.5515 -0.5515 0.6952 0.6952 0.7279 0.7279 1.4228 1.4228 1.9555 1.9555 2.0354 2.0354 2.8118 2.8118 3.3165 3.3165 6.1154 6.1154 7.0917 7.0917 k = 0.2794-0.0000-0.0000 ( 4190 PWs) bands (ev): -8.5461 -8.5461 -8.3028 -8.3028 -6.0226 -6.0226 -5.9988 -5.9988 -5.9971 -5.9971 -5.9788 -5.9788 -5.3330 -5.3330 -5.3186 -5.3186 -5.2972 -5.2972 -5.2959 -5.2959 -5.2854 -5.2854 -5.2674 -5.2674 -0.6069 -0.6069 0.6785 0.6785 0.7282 0.7282 1.4461 1.4461 1.9607 1.9607 2.0244 2.0244 2.9081 2.9081 3.3929 3.3929 6.0644 6.0644 6.9903 6.9903 k = 0.2941-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.5400 -8.5400 -8.2996 -8.2996 -6.0226 -6.0226 -5.9995 -5.9995 -5.9971 -5.9971 -5.9805 -5.9805 -5.3332 -5.3332 -5.3201 -5.3201 -5.2973 -5.2973 -5.2955 -5.2955 -5.2859 -5.2859 -5.2691 -5.2691 -0.6593 -0.6593 0.6387 0.6387 0.7546 0.7546 1.4695 1.4695 1.9607 1.9607 2.0175 2.0175 3.0031 3.0031 3.4688 3.4688 6.0154 6.0154 6.8893 6.8893 k = 0.3088-0.0000-0.0000 ( 4192 PWs) bands (ev): -8.5341 -8.5341 -8.2965 -8.2965 -6.0225 -6.0225 -6.0002 -6.0002 -5.9970 -5.9970 -5.9822 -5.9822 -5.3333 -5.3333 -5.3216 -5.3216 -5.2977 -5.2977 -5.2949 -5.2949 -5.2863 -5.2863 -5.2706 -5.2706 -0.7085 -0.7085 0.6003 0.6003 0.7824 0.7824 1.4929 1.4929 1.9536 1.9536 2.0166 2.0166 3.0966 3.0966 3.5441 3.5441 5.9686 5.9686 6.7893 6.7893 k = 0.3235-0.0000-0.0000 ( 4196 PWs) bands (ev): -8.5283 -8.5283 -8.2935 -8.2935 -6.0224 -6.0224 -6.0011 -6.0011 -5.9970 -5.9970 -5.9837 -5.9837 -5.3335 -5.3335 -5.3230 -5.3230 -5.2981 -5.2981 -5.2943 -5.2943 -5.2867 -5.2867 -5.2722 -5.2722 -0.7544 -0.7544 0.5643 0.5643 0.8105 0.8105 1.5159 1.5159 1.9408 1.9408 2.0201 2.0201 3.1881 3.1881 3.6183 3.6183 5.9243 5.9243 6.6910 6.6910 k = 0.3382-0.0000-0.0000 ( 4188 PWs) bands (ev): -8.5228 -8.5228 -8.2906 -8.2906 -6.0222 -6.0222 -6.0019 -6.0019 -5.9969 -5.9969 -5.9851 -5.9851 -5.3338 -5.3338 -5.3242 -5.3242 -5.2985 -5.2985 -5.2936 -5.2936 -5.2871 -5.2871 -5.2736 -5.2736 -0.7970 -0.7970 0.5308 0.5308 0.8386 0.8386 1.5384 1.5384 1.9250 1.9250 2.0257 2.0257 3.2772 3.2772 3.6913 3.6913 5.8827 5.8827 6.5950 6.5950 k = 0.3529-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.5175 -8.5175 -8.2879 -8.2879 -6.0220 -6.0220 -6.0029 -6.0029 -5.9969 -5.9969 -5.9865 -5.9865 -5.3341 -5.3341 -5.3254 -5.3254 -5.2989 -5.2989 -5.2930 -5.2930 -5.2875 -5.2875 -5.2749 -5.2749 -0.8362 -0.8362 0.5000 0.5000 0.8664 0.8664 1.5602 1.5602 1.9077 1.9077 2.0319 2.0319 3.3634 3.3634 3.7625 3.7625 5.8439 5.8439 6.5020 6.5020 k = 0.3676-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5126 -8.5126 -8.2854 -8.2854 -6.0218 -6.0218 -6.0039 -6.0039 -5.9968 -5.9968 -5.9877 -5.9877 -5.3345 -5.3345 -5.3264 -5.3264 -5.2994 -5.2994 -5.2923 -5.2923 -5.2878 -5.2878 -5.2762 -5.2762 -0.8718 -0.8718 0.4720 0.4720 0.8935 0.8935 1.5809 1.5809 1.8897 1.8897 2.0379 2.0379 3.4462 3.4462 3.8314 3.8314 5.8083 5.8083 6.4127 6.4127 k = 0.3824-0.0000-0.0000 ( 4186 PWs) bands (ev): -8.5080 -8.5080 -8.2831 -8.2831 -6.0214 -6.0214 -6.0050 -6.0050 -5.9967 -5.9967 -5.9888 -5.9888 -5.3350 -5.3350 -5.3272 -5.3272 -5.2998 -5.2998 -5.2917 -5.2917 -5.2882 -5.2882 -5.2773 -5.2773 -0.9039 -0.9039 0.4467 0.4467 0.9196 0.9196 1.6004 1.6004 1.8716 1.8716 2.0436 2.0436 3.5248 3.5248 3.8973 3.8973 5.7758 5.7758 6.3280 6.3280 k = 0.3971-0.0000-0.0000 ( 4176 PWs) bands (ev): -8.5039 -8.5039 -8.2811 -8.2811 -6.0211 -6.0211 -6.0060 -6.0060 -5.9966 -5.9966 -5.9898 -5.9898 -5.3355 -5.3355 -5.3278 -5.3278 -5.3001 -5.3001 -5.2911 -5.2911 -5.2885 -5.2885 -5.2784 -5.2784 -0.9324 -0.9324 0.4243 0.4243 0.9444 0.9444 1.6184 1.6184 1.8539 1.8539 2.0486 2.0486 3.5985 3.5985 3.9596 3.9596 5.7467 5.7467 6.2489 6.2489 k = 0.4118-0.0000-0.0000 ( 4176 PWs) bands (ev): -8.5002 -8.5002 -8.2792 -8.2792 -6.0206 -6.0206 -6.0072 -6.0072 -5.9964 -5.9964 -5.9907 -5.9907 -5.3361 -5.3361 -5.3283 -5.3283 -5.3005 -5.3005 -5.2905 -5.2905 -5.2888 -5.2888 -5.2793 -5.2793 -0.9572 -0.9572 0.4048 0.4048 0.9673 0.9673 1.6347 1.6347 1.8372 1.8372 2.0530 2.0530 3.6661 3.6661 4.0172 4.0172 5.7212 5.7212 6.1764 6.1764 k = 0.4265-0.0000-0.0000 ( 4176 PWs) bands (ev): -8.4970 -8.4970 -8.2777 -8.2777 -6.0202 -6.0202 -6.0082 -6.0082 -5.9963 -5.9963 -5.9914 -5.9914 -5.3366 -5.3366 -5.3287 -5.3287 -5.3008 -5.3008 -5.2900 -5.2900 -5.2890 -5.2890 -5.2801 -5.2801 -0.9782 -0.9782 0.3883 0.3883 0.9880 0.9880 1.6490 1.6490 1.8218 1.8218 2.0566 2.0566 3.7266 3.7266 4.0690 4.0690 5.6992 5.6992 6.1119 6.1119 k = 0.4412-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.4943 -8.4943 -8.2764 -8.2764 -6.0197 -6.0197 -6.0093 -6.0093 -5.9961 -5.9961 -5.9921 -5.9921 -5.3371 -5.3371 -5.3289 -5.3289 -5.3011 -5.3011 -5.2898 -5.2898 -5.2891 -5.2891 -5.2808 -5.2808 -0.9955 -0.9955 0.3747 0.3747 1.0058 1.0058 1.6611 1.6611 1.8082 1.8082 2.0596 2.0596 3.7787 3.7787 4.1139 4.1139 5.6809 5.6809 6.0565 6.0565 k = 0.4559-0.0000-0.0000 ( 4184 PWs) bands (ev): -8.4922 -8.4922 -8.2754 -8.2754 -6.0193 -6.0193 -6.0102 -6.0102 -5.9960 -5.9960 -5.9926 -5.9926 -5.3375 -5.3375 -5.3291 -5.3291 -5.3013 -5.3013 -5.2898 -5.2898 -5.2889 -5.2889 -5.2813 -5.2813 -1.0090 -1.0090 0.3641 0.3641 1.0203 1.0203 1.6707 1.6707 1.7970 1.7970 2.0618 2.0618 3.8211 3.8211 4.1506 4.1506 5.6666 5.6666 6.0116 6.0116 k = 0.4706-0.0000-0.0000 ( 4178 PWs) bands (ev): -8.4907 -8.4907 -8.2746 -8.2746 -6.0188 -6.0188 -6.0110 -6.0110 -5.9958 -5.9958 -5.9930 -5.9930 -5.3378 -5.3378 -5.3292 -5.3292 -5.3014 -5.3014 -5.2899 -5.2899 -5.2886 -5.2886 -5.2817 -5.2817 -1.0186 -1.0186 0.3565 0.3565 1.0311 1.0311 1.6778 1.6778 1.7886 1.7886 2.0634 2.0634 3.8525 3.8525 4.1779 4.1779 5.6562 5.6562 5.9784 5.9784 k = 0.4853-0.0000-0.0000 ( 4174 PWs) bands (ev): -8.4898 -8.4898 -8.2742 -8.2742 -6.0185 -6.0185 -6.0115 -6.0115 -5.9957 -5.9957 -5.9932 -5.9932 -5.3380 -5.3380 -5.3293 -5.3293 -5.3015 -5.3015 -5.2899 -5.2899 -5.2884 -5.2884 -5.2820 -5.2820 -1.0244 -1.0244 0.3519 0.3519 1.0378 1.0378 1.6821 1.6821 1.7834 1.7834 2.0643 2.0643 3.8719 3.8719 4.1947 4.1947 5.6499 5.6499 5.9580 5.9580 k = 0.5000-0.0000-0.0000 ( 4170 PWs) bands (ev): -8.4895 -8.4895 -8.2740 -8.2740 -6.0184 -6.0184 -6.0116 -6.0116 -5.9957 -5.9957 -5.9933 -5.9933 -5.3381 -5.3381 -5.3293 -5.3293 -5.3015 -5.3015 -5.2900 -5.2900 -5.2883 -5.2883 -5.2821 -5.2821 -1.0263 -1.0263 0.3504 0.3504 1.0400 1.0400 1.6835 1.6835 1.7816 1.7816 2.0646 2.0646 3.8784 3.8784 4.2004 4.2004 5.6478 5.6478 5.9511 5.9511 k = 0.5000-0.0000-0.0000 ( 4170 PWs) bands (ev): -8.4895 -8.4895 -8.2740 -8.2740 -6.0184 -6.0184 -6.0116 -6.0116 -5.9957 -5.9957 -5.9933 -5.9933 -5.3381 -5.3381 -5.3293 -5.3293 -5.3015 -5.3015 -5.2900 -5.2900 -5.2883 -5.2883 -5.2821 -5.2821 -1.0263 -1.0263 0.3504 0.3504 1.0400 1.0400 1.6835 1.6835 1.7816 1.7816 2.0646 2.0646 3.8784 3.8784 4.2004 4.2004 5.6478 5.6478 5.9511 5.9511 k = 0.5000 0.0147-0.0000 ( 4174 PWs) bands (ev): -8.4894 -8.4894 -8.2742 -8.2742 -6.0184 -6.0184 -6.0116 -6.0116 -5.9956 -5.9956 -5.9932 -5.9932 -5.3381 -5.3381 -5.3291 -5.3291 -5.3014 -5.3014 -5.2903 -5.2903 -5.2879 -5.2879 -5.2820 -5.2820 -1.0251 -1.0251 0.3513 0.3513 1.0405 1.0405 1.6808 1.6808 1.7814 1.7814 2.0611 2.0611 3.8711 3.8711 4.1965 4.1965 5.6489 5.6489 5.9562 5.9562 k = 0.5000 0.0293-0.0000 ( 4174 PWs) bands (ev): -8.4890 -8.4890 -8.2745 -8.2745 -6.0183 -6.0183 -6.0115 -6.0115 -5.9952 -5.9952 -5.9929 -5.9929 -5.3380 -5.3380 -5.3286 -5.3286 -5.3012 -5.3012 -5.2908 -5.2908 -5.2872 -5.2872 -5.2818 -5.2818 -1.0214 -1.0214 0.3541 0.3541 1.0421 1.0421 1.6728 1.6728 1.7810 1.7810 2.0508 2.0508 3.8493 3.8493 4.1849 4.1849 5.6521 5.6521 5.9715 5.9715 k = 0.5000 0.0440-0.0000 ( 4174 PWs) bands (ev): -8.4885 -8.4885 -8.2752 -8.2752 -6.0182 -6.0182 -6.0114 -6.0114 -5.9946 -5.9946 -5.9923 -5.9923 -5.3379 -5.3379 -5.3278 -5.3278 -5.3009 -5.3009 -5.2912 -5.2912 -5.2864 -5.2864 -5.2813 -5.2813 -1.0152 -1.0152 0.3586 0.3586 1.0446 1.0446 1.6597 1.6597 1.7802 1.7802 2.0339 2.0339 3.8137 3.8137 4.1657 4.1657 5.6574 5.6574 5.9968 5.9968 k = 0.5000 0.0586-0.0000 ( 4176 PWs) bands (ev): -8.4877 -8.4877 -8.2761 -8.2761 -6.0181 -6.0181 -6.0113 -6.0113 -5.9938 -5.9938 -5.9915 -5.9915 -5.3378 -5.3378 -5.3267 -5.3267 -5.3006 -5.3006 -5.2914 -5.2914 -5.2856 -5.2856 -5.2807 -5.2807 -1.0066 -1.0066 0.3650 0.3650 1.0481 1.0481 1.6416 1.6416 1.7791 1.7791 2.0108 2.0108 3.7654 3.7654 4.1391 4.1391 5.6647 5.6647 6.0317 6.0317 k = 0.5000 0.0733-0.0000 ( 4178 PWs) bands (ev): -8.4867 -8.4867 -8.2772 -8.2772 -6.0180 -6.0180 -6.0111 -6.0111 -5.9927 -5.9927 -5.9905 -5.9905 -5.3376 -5.3376 -5.3254 -5.3254 -5.3004 -5.3004 -5.2912 -5.2912 -5.2849 -5.2849 -5.2799 -5.2799 -0.9955 -0.9955 0.3732 0.3732 1.0527 1.0527 1.6190 1.6190 1.7776 1.7776 1.9820 1.9820 3.7058 3.7058 4.1055 4.1055 5.6740 5.6740 6.0758 6.0758 k = 0.5000 0.0880-0.0000 ( 4182 PWs) bands (ev): -8.4855 -8.4855 -8.2786 -8.2786 -6.0178 -6.0178 -6.0108 -6.0108 -5.9914 -5.9914 -5.9893 -5.9893 -5.3373 -5.3373 -5.3238 -5.3238 -5.3004 -5.3004 -5.2906 -5.2906 -5.2842 -5.2842 -5.2789 -5.2789 -0.9819 -0.9819 0.3830 0.3830 1.0582 1.0582 1.5923 1.5923 1.7755 1.7755 1.9481 1.9481 3.6362 3.6362 4.0652 4.0652 5.6851 5.6851 6.1285 6.1285 k = 0.5000 0.1026-0.0000 ( 4186 PWs) bands (ev): -8.4841 -8.4841 -8.2802 -8.2802 -6.0176 -6.0176 -6.0106 -6.0106 -5.9898 -5.9898 -5.9878 -5.9878 -5.3370 -5.3370 -5.3220 -5.3220 -5.3005 -5.3005 -5.2894 -5.2894 -5.2835 -5.2835 -5.2778 -5.2778 -0.9659 -0.9659 0.3945 0.3945 1.0647 1.0647 1.5619 1.5619 1.7728 1.7728 1.9100 1.9100 3.5580 3.5580 4.0186 4.0186 5.6982 5.6982 6.1891 6.1891 k = 0.5000 0.1173-0.0000 ( 4178 PWs) bands (ev): -8.4824 -8.4824 -8.2820 -8.2820 -6.0174 -6.0174 -6.0104 -6.0104 -5.9881 -5.9881 -5.9861 -5.9861 -5.3367 -5.3367 -5.3200 -5.3200 -5.3008 -5.3008 -5.2878 -5.2878 -5.2828 -5.2828 -5.2764 -5.2764 -0.9474 -0.9474 0.4077 0.4077 1.0721 1.0721 1.5283 1.5283 1.7690 1.7690 1.8688 1.8688 3.4728 3.4728 3.9663 3.9663 5.7132 5.7132 6.2569 6.2569 k = 0.5000 0.1319-0.0000 ( 4180 PWs) bands (ev): -8.4806 -8.4806 -8.2841 -8.2841 -6.0171 -6.0171 -6.0102 -6.0102 -5.9861 -5.9861 -5.9843 -5.9843 -5.3362 -5.3362 -5.3180 -5.3180 -5.3011 -5.3011 -5.2858 -5.2858 -5.2821 -5.2821 -5.2749 -5.2749 -0.9265 -0.9265 0.4223 0.4223 1.0805 1.0805 1.4921 1.4921 1.7627 1.7627 1.8264 1.8264 3.3817 3.3817 3.9087 3.9087 5.7301 5.7301 6.3311 6.3311 k = 0.5000 0.1466-0.0000 ( 4184 PWs) bands (ev): -8.4786 -8.4786 -8.2864 -8.2864 -6.0169 -6.0169 -6.0100 -6.0100 -5.9840 -5.9840 -5.9823 -5.9823 -5.3358 -5.3358 -5.3160 -5.3160 -5.3014 -5.3014 -5.2836 -5.2836 -5.2814 -5.2814 -5.2732 -5.2732 -0.9032 -0.9032 0.4383 0.4383 1.0897 1.0897 1.4537 1.4537 1.7471 1.7471 1.7905 1.7905 3.2860 3.2860 3.8463 3.8463 5.7490 5.7490 6.4109 6.4109 k = 0.5000 0.1612-0.0000 ( 4186 PWs) bands (ev): -8.4763 -8.4763 -8.2889 -8.2889 -6.0166 -6.0166 -6.0098 -6.0098 -5.9818 -5.9818 -5.9800 -5.9800 -5.3353 -5.3353 -5.3142 -5.3142 -5.3015 -5.3015 -5.2815 -5.2815 -5.2803 -5.2803 -5.2713 -5.2713 -0.8774 -0.8774 0.4555 0.4555 1.0998 1.0998 1.4138 1.4138 1.7107 1.7107 1.7730 1.7730 3.1866 3.1866 3.7797 3.7797 5.7700 5.7700 6.4954 6.4954 k = 0.5000 0.1759-0.0000 ( 4196 PWs) bands (ev): -8.4739 -8.4739 -8.2916 -8.2916 -6.0163 -6.0163 -6.0097 -6.0097 -5.9795 -5.9795 -5.9777 -5.9777 -5.3348 -5.3348 -5.3127 -5.3127 -5.3012 -5.3012 -5.2805 -5.2805 -5.2779 -5.2779 -5.2692 -5.2692 -0.8492 -0.8492 0.4737 0.4737 1.1107 1.1107 1.3728 1.3728 1.6635 1.6635 1.7649 1.7649 3.0846 3.0846 3.7092 3.7092 5.7930 5.7930 6.5837 6.5837 k = 0.5000 0.1906-0.0000 ( 4188 PWs) bands (ev): -8.4713 -8.4713 -8.2945 -8.2945 -6.0161 -6.0161 -6.0095 -6.0095 -5.9770 -5.9770 -5.9751 -5.9751 -5.3342 -5.3342 -5.3116 -5.3116 -5.3005 -5.3005 -5.2797 -5.2797 -5.2750 -5.2750 -5.2668 -5.2668 -0.8187 -0.8187 0.4927 0.4927 1.1223 1.1223 1.3313 1.3313 1.6137 1.6137 1.7585 1.7585 2.9807 2.9807 3.6355 3.6355 5.8182 5.8182 6.6751 6.6751 k = 0.5000 0.2052-0.0000 ( 4184 PWs) bands (ev): -8.4685 -8.4685 -8.2976 -8.2976 -6.0158 -6.0158 -6.0093 -6.0093 -5.9745 -5.9745 -5.9725 -5.9725 -5.3336 -5.3336 -5.3110 -5.3110 -5.2993 -5.2993 -5.2790 -5.2790 -5.2719 -5.2719 -5.2642 -5.2642 -0.7858 -0.7858 0.5121 0.5121 1.1345 1.1345 1.2898 1.2898 1.5635 1.5635 1.7523 1.7523 2.8758 2.8758 3.5589 3.5589 5.8456 5.8456 6.7687 6.7687 k = 0.5000 0.2199-0.0000 ( 4180 PWs) bands (ev): -8.4655 -8.4655 -8.3009 -8.3009 -6.0155 -6.0155 -6.0092 -6.0092 -5.9719 -5.9719 -5.9697 -5.9697 -5.3330 -5.3330 -5.3109 -5.3109 -5.2977 -5.2977 -5.2784 -5.2784 -5.2687 -5.2687 -5.2614 -5.2614 -0.7506 -0.7506 0.5316 0.5316 1.1467 1.1467 1.2493 1.2493 1.5142 1.5142 1.7457 1.7457 2.7705 2.7705 3.4799 3.4799 5.8754 5.8754 6.8637 6.8637 k = 0.5000 0.2345-0.0000 ( 4182 PWs) bands (ev): -8.4624 -8.4624 -8.3044 -8.3044 -6.0152 -6.0152 -6.0091 -6.0091 -5.9693 -5.9693 -5.9670 -5.9670 -5.3324 -5.3324 -5.3110 -5.3110 -5.2959 -5.2959 -5.2777 -5.2777 -5.2653 -5.2653 -5.2585 -5.2585 -0.7131 -0.7131 0.5507 0.5507 1.1570 1.1570 1.2122 1.2122 1.4666 1.4666 1.7387 1.7387 2.6654 2.6654 3.3990 3.3990 5.9075 5.9075 6.9592 6.9592 k = 0.5000 0.2492-0.0000 ( 4184 PWs) bands (ev): -8.4590 -8.4590 -8.3080 -8.3080 -6.0148 -6.0148 -6.0090 -6.0090 -5.9666 -5.9666 -5.9642 -5.9642 -5.3318 -5.3318 -5.3114 -5.3114 -5.2941 -5.2941 -5.2771 -5.2771 -5.2618 -5.2618 -5.2553 -5.2553 -0.6734 -0.6734 0.5686 0.5686 1.1517 1.1517 1.1924 1.1924 1.4216 1.4216 1.7311 1.7311 2.5613 2.5613 3.3165 3.3165 5.9421 5.9421 7.0545 7.0545 k = 0.5000 0.2639-0.0000 ( 4178 PWs) bands (ev): -8.4556 -8.4556 -8.3118 -8.3118 -6.0145 -6.0145 -6.0089 -6.0089 -5.9640 -5.9640 -5.9614 -5.9614 -5.3311 -5.3311 -5.3118 -5.3118 -5.2922 -5.2922 -5.2766 -5.2766 -5.2582 -5.2582 -5.2520 -5.2520 -0.6314 -0.6314 0.5847 0.5847 1.1213 1.1213 1.1998 1.1998 1.3803 1.3803 1.7228 1.7228 2.4588 2.4588 3.2328 3.2328 5.9793 5.9793 7.1486 7.1486 k = 0.5000 0.2785-0.0000 ( 4190 PWs) bands (ev): -8.4520 -8.4520 -8.3157 -8.3157 -6.0142 -6.0142 -6.0088 -6.0088 -5.9614 -5.9614 -5.9587 -5.9587 -5.3304 -5.3304 -5.3124 -5.3124 -5.2905 -5.2905 -5.2761 -5.2761 -5.2545 -5.2545 -5.2487 -5.2487 -0.5874 -0.5874 0.5980 0.5980 1.0866 1.0866 1.2137 1.2137 1.3435 1.3435 1.7138 1.7138 2.3585 2.3585 3.1483 3.1483 6.0190 6.0190 7.2410 7.2410 k = 0.5000 0.2932-0.0000 ( 4202 PWs) bands (ev): -8.4482 -8.4482 -8.3198 -8.3198 -6.0139 -6.0139 -6.0087 -6.0087 -5.9588 -5.9588 -5.9560 -5.9560 -5.3298 -5.3298 -5.3129 -5.3129 -5.2889 -5.2889 -5.2756 -5.2756 -5.2508 -5.2508 -5.2453 -5.2453 -0.5412 -0.5412 0.6076 0.6076 1.0529 1.0529 1.2287 1.2287 1.3123 1.3123 1.7041 1.7041 2.2614 2.2614 3.0633 3.0633 6.0615 6.0615 7.3307 7.3307 k = 0.5000 0.3078-0.0000 ( 4202 PWs) bands (ev): -8.4443 -8.4443 -8.3240 -8.3240 -6.0136 -6.0136 -6.0087 -6.0087 -5.9563 -5.9563 -5.9535 -5.9535 -5.3291 -5.3291 -5.3135 -5.3135 -5.2873 -5.2873 -5.2752 -5.2752 -5.2471 -5.2471 -5.2419 -5.2419 -0.4931 -0.4931 0.6123 0.6123 1.0214 1.0214 1.2427 1.2427 1.2887 1.2887 1.6937 1.6937 2.1683 2.1683 2.9781 2.9781 6.1067 6.1067 7.4171 7.4171 k = 0.5000 0.3225-0.0000 ( 4206 PWs) bands (ev): -8.4403 -8.4403 -8.3283 -8.3283 -6.0133 -6.0133 -6.0087 -6.0087 -5.9538 -5.9538 -5.9510 -5.9510 -5.3284 -5.3284 -5.3141 -5.3141 -5.2858 -5.2858 -5.2748 -5.2748 -5.2435 -5.2435 -5.2386 -5.2386 -0.4431 -0.4431 0.6115 0.6115 0.9924 0.9924 1.2483 1.2483 1.2799 1.2799 1.6825 1.6825 2.0805 2.0805 2.8929 2.8929 6.1547 6.1547 7.4994 7.4994 k = 0.5000 0.3372-0.0000 ( 4202 PWs) bands (ev): -8.4362 -8.4362 -8.3327 -8.3327 -6.0130 -6.0130 -6.0087 -6.0087 -5.9514 -5.9514 -5.9487 -5.9487 -5.3278 -5.3278 -5.3146 -5.3146 -5.2845 -5.2845 -5.2745 -5.2745 -5.2399 -5.2399 -5.2354 -5.2354 -0.3914 -0.3914 0.6045 0.6045 0.9664 0.9664 1.2404 1.2404 1.2901 1.2901 1.6706 1.6706 1.9994 1.9994 2.8082 2.8082 6.2055 6.2055 7.5765 7.5765 k = 0.5000 0.3518-0.0000 ( 4206 PWs) bands (ev): -8.4319 -8.4319 -8.3372 -8.3372 -6.0127 -6.0127 -6.0087 -6.0087 -5.9492 -5.9492 -5.9465 -5.9465 -5.3271 -5.3271 -5.3152 -5.3152 -5.2832 -5.2832 -5.2742 -5.2742 -5.2365 -5.2365 -5.2323 -5.2323 -0.3381 -0.3381 0.5914 0.5914 0.9438 0.9438 1.2303 1.2303 1.3066 1.3066 1.6579 1.6579 1.9272 1.9272 2.7241 2.7241 6.2593 6.2593 7.6467 7.6467 k = 0.5000 0.3665-0.0000 ( 4198 PWs) bands (ev): -8.4276 -8.4276 -8.3418 -8.3418 -6.0124 -6.0124 -6.0088 -6.0088 -5.9470 -5.9470 -5.9445 -5.9445 -5.3264 -5.3264 -5.3157 -5.3157 -5.2820 -5.2820 -5.2740 -5.2740 -5.2332 -5.2332 -5.2294 -5.2294 -0.2834 -0.2834 0.5724 0.5724 0.9248 0.9248 1.2199 1.2199 1.3245 1.3245 1.6446 1.6446 1.8662 1.8662 2.6410 2.6410 6.3159 6.3159 7.7030 7.7030 k = 0.5000 0.3811-0.0000 ( 4190 PWs) bands (ev): -8.4231 -8.4231 -8.3465 -8.3465 -6.0121 -6.0121 -6.0088 -6.0088 -5.9451 -5.9451 -5.9427 -5.9427 -5.3257 -5.3257 -5.3163 -5.3163 -5.2809 -5.2809 -5.2738 -5.2738 -5.2301 -5.2301 -5.2267 -5.2267 -0.2275 -0.2275 0.5482 0.5482 0.9097 0.9097 1.2070 1.2070 1.3430 1.3430 1.6306 1.6306 1.8194 1.8194 2.5590 2.5590 6.3756 6.3756 7.7016 7.7016 k = 0.5000 0.3958-0.0000 ( 4188 PWs) bands (ev): -8.4186 -8.4186 -8.3512 -8.3512 -6.0118 -6.0118 -6.0089 -6.0089 -5.9433 -5.9433 -5.9411 -5.9411 -5.3251 -5.3251 -5.3168 -5.3168 -5.2799 -5.2799 -5.2737 -5.2737 -5.2273 -5.2273 -5.2242 -5.2242 -0.1706 -0.1706 0.5195 0.5195 0.8987 0.8987 1.1889 1.1889 1.3618 1.3618 1.6158 1.6158 1.7893 1.7893 2.4785 2.4785 6.4383 6.4383 7.6205 7.6206 k = 0.5000 0.4105-0.0000 ( 4184 PWs) bands (ev): -8.4140 -8.4140 -8.3560 -8.3560 -6.0115 -6.0115 -6.0090 -6.0090 -5.9416 -5.9416 -5.9397 -5.9397 -5.3244 -5.3244 -5.3174 -5.3174 -5.2790 -5.2790 -5.2737 -5.2737 -5.2248 -5.2248 -5.2221 -5.2221 -0.1131 -0.1131 0.4867 0.4867 0.8923 0.8923 1.1642 1.1642 1.3807 1.3807 1.6003 1.6003 1.7770 1.7770 2.3997 2.3997 6.5040 6.5040 7.5230 7.5230 k = 0.5000 0.4251-0.0000 ( 4184 PWs) bands (ev): -8.4093 -8.4093 -8.3608 -8.3608 -6.0112 -6.0112 -6.0091 -6.0091 -5.9402 -5.9402 -5.9386 -5.9386 -5.3238 -5.3238 -5.3179 -5.3179 -5.2781 -5.2781 -5.2737 -5.2737 -5.2225 -5.2225 -5.2203 -5.2203 -0.0552 -0.0552 0.4505 0.4505 0.8907 0.8907 1.1331 1.1331 1.3998 1.3998 1.5841 1.5841 1.7820 1.7820 2.3229 2.3229 6.5727 6.5727 7.4241 7.4241 k = 0.5000 0.4398-0.0000 ( 4176 PWs) bands (ev): -8.4046 -8.4046 -8.3656 -8.3656 -6.0109 -6.0109 -6.0093 -6.0093 -5.9390 -5.9390 -5.9376 -5.9376 -5.3232 -5.3232 -5.3185 -5.3185 -5.2773 -5.2773 -5.2738 -5.2738 -5.2206 -5.2206 -5.2188 -5.2188 0.0026 0.0026 0.4110 0.4110 0.8940 0.8940 1.0976 1.0976 1.4190 1.4190 1.5673 1.5673 1.8020 1.8020 2.2484 2.2484 6.6446 6.6446 7.3267 7.3267 k = 0.5000 0.4544-0.0000 ( 4168 PWs) bands (ev): -8.3998 -8.3998 -8.3705 -8.3705 -6.0107 -6.0107 -6.0094 -6.0094 -5.9380 -5.9380 -5.9369 -5.9369 -5.3225 -5.3225 -5.3191 -5.3191 -5.2766 -5.2766 -5.2740 -5.2740 -5.2190 -5.2190 -5.2176 -5.2176 0.0598 0.0598 0.3684 0.3684 0.9026 0.9026 1.0605 1.0605 1.4382 1.4382 1.5499 1.5499 1.8342 1.8342 2.1765 2.1765 6.7194 6.7194 7.2315 7.2315 k = 0.5000 0.4691-0.0000 ( 4176 PWs) bands (ev): -8.3950 -8.3950 -8.3754 -8.3754 -6.0104 -6.0104 -6.0096 -6.0096 -5.9372 -5.9372 -5.9365 -5.9365 -5.3219 -5.3219 -5.3196 -5.3196 -5.2760 -5.2760 -5.2743 -5.2743 -5.2178 -5.2178 -5.2169 -5.2169 0.1161 0.1161 0.3230 0.3230 0.9166 0.9166 1.0242 1.0242 1.4574 1.4574 1.5321 1.5321 1.8761 1.8761 2.1078 2.1078 6.7973 6.7973 7.1389 7.1389 k = 0.5000 0.4837-0.0000 ( 4172 PWs) bands (ev): -8.3901 -8.3901 -8.3803 -8.3803 -6.0102 -6.0102 -6.0098 -6.0098 -5.9367 -5.9367 -5.9363 -5.9363 -5.3213 -5.3213 -5.3202 -5.3202 -5.2755 -5.2755 -5.2746 -5.2746 -5.2170 -5.2170 -5.2165 -5.2165 0.1710 0.1710 0.2747 0.2747 0.9361 0.9361 0.9905 0.9905 1.4764 1.4764 1.5139 1.5139 1.9258 1.9258 2.0426 2.0426 6.8783 6.8783 7.0491 7.0491 k = 0.5000 0.4984-0.0000 ( 4168 PWs) bands (ev): -8.3852 -8.3852 -8.3852 -8.3852 -6.0100 -6.0100 -6.0100 -6.0100 -5.9364 -5.9364 -5.9364 -5.9364 -5.3208 -5.3208 -5.3208 -5.3208 -5.2750 -5.2750 -5.2750 -5.2750 -5.2166 -5.2166 -5.2166 -5.2166 0.2240 0.2240 0.2240 0.2240 0.9609 0.9609 0.9609 0.9609 1.4953 1.4953 1.4953 1.4953 1.9817 1.9817 1.9817 1.9817 6.9622 6.9622 6.9622 6.9622 k = 0.5000 0.4984-0.0000 ( 4168 PWs) bands (ev): -8.3852 -8.3852 -8.3852 -8.3852 -6.0100 -6.0100 -6.0100 -6.0100 -5.9364 -5.9364 -5.9364 -5.9364 -5.3208 -5.3208 -5.3208 -5.3208 -5.2750 -5.2750 -5.2750 -5.2750 -5.2166 -5.2166 -5.2166 -5.2166 0.2240 0.2240 0.2240 0.2240 0.9609 0.9609 0.9609 0.9609 1.4953 1.4953 1.4953 1.4953 1.9817 1.9817 1.9817 1.9817 6.9622 6.9622 6.9622 6.9622 k = 0.4853 0.4984-0.0000 ( 4168 PWs) bands (ev): -8.3852 -8.3852 -8.3852 -8.3852 -6.0100 -6.0100 -6.0100 -6.0100 -5.9365 -5.9365 -5.9365 -5.9365 -5.3208 -5.3208 -5.3208 -5.3208 -5.2750 -5.2750 -5.2750 -5.2750 -5.2168 -5.2168 -5.2168 -5.2168 0.2234 0.2234 0.2234 0.2234 0.9592 0.9592 0.9592 0.9592 1.4949 1.4949 1.4949 1.4949 1.9878 1.9878 1.9878 1.9878 6.9634 6.9634 6.9634 6.9634 k = 0.4706 0.4984-0.0000 ( 4164 PWs) bands (ev): -8.3853 -8.3853 -8.3853 -8.3853 -6.0100 -6.0100 -6.0100 -6.0100 -5.9368 -5.9368 -5.9368 -5.9368 -5.3208 -5.3208 -5.3208 -5.3208 -5.2751 -5.2751 -5.2751 -5.2751 -5.2173 -5.2173 -5.2173 -5.2173 0.2214 0.2214 0.2214 0.2214 0.9545 0.9545 0.9545 0.9545 1.4937 1.4937 1.4937 1.4937 2.0061 2.0061 2.0061 2.0061 6.9668 6.9668 6.9668 6.9668 k = 0.4559 0.4984-0.0000 ( 4164 PWs) bands (ev): -8.3853 -8.3853 -8.3853 -8.3853 -6.0100 -6.0100 -6.0100 -6.0100 -5.9375 -5.9375 -5.9375 -5.9375 -5.3208 -5.3208 -5.3208 -5.3208 -5.2753 -5.2753 -5.2753 -5.2753 -5.2183 -5.2183 -5.2183 -5.2183 0.2179 0.2179 0.2179 0.2179 0.9476 0.9476 0.9476 0.9476 1.4918 1.4918 1.4918 1.4918 2.0357 2.0357 2.0357 2.0357 6.9725 6.9725 6.9725 6.9725 k = 0.4412 0.4984-0.0000 ( 4176 PWs) bands (ev): -8.3854 -8.3854 -8.3854 -8.3854 -6.0100 -6.0100 -6.0100 -6.0100 -5.9383 -5.9383 -5.9383 -5.9383 -5.3208 -5.3208 -5.3208 -5.3208 -5.2756 -5.2756 -5.2756 -5.2756 -5.2196 -5.2196 -5.2196 -5.2196 0.2127 0.2127 0.2127 0.2127 0.9400 0.9400 0.9400 0.9400 1.4892 1.4892 1.4892 1.4892 2.0755 2.0755 2.0755 2.0755 6.9804 6.9804 6.9804 6.9804 k = 0.4265 0.4984-0.0000 ( 4172 PWs) bands (ev): -8.3855 -8.3855 -8.3855 -8.3855 -6.0101 -6.0101 -6.0101 -6.0101 -5.9394 -5.9394 -5.9394 -5.9394 -5.3208 -5.3208 -5.3208 -5.3208 -5.2760 -5.2760 -5.2760 -5.2760 -5.2212 -5.2212 -5.2212 -5.2212 0.2052 0.2052 0.2052 0.2052 0.9330 0.9330 0.9330 0.9330 1.4859 1.4859 1.4859 1.4859 2.1243 2.1243 2.1243 2.1243 6.9904 6.9904 6.9904 6.9904 k = 0.4118 0.4984-0.0000 ( 4182 PWs) bands (ev): -8.3856 -8.3856 -8.3856 -8.3856 -6.0101 -6.0101 -6.0101 -6.0101 -5.9407 -5.9407 -5.9407 -5.9407 -5.3209 -5.3209 -5.3209 -5.3209 -5.2764 -5.2764 -5.2764 -5.2764 -5.2232 -5.2232 -5.2232 -5.2232 0.1952 0.1952 0.1952 0.1952 0.9281 0.9281 0.9281 0.9281 1.4819 1.4819 1.4819 1.4819 2.1808 2.1808 2.1808 2.1808 7.0023 7.0023 7.0023 7.0023 k = 0.3971 0.4984-0.0000 ( 4186 PWs) bands (ev): -8.3858 -8.3858 -8.3858 -8.3858 -6.0102 -6.0102 -6.0102 -6.0102 -5.9423 -5.9423 -5.9423 -5.9423 -5.3209 -5.3209 -5.3209 -5.3209 -5.2769 -5.2769 -5.2769 -5.2769 -5.2254 -5.2254 -5.2254 -5.2254 0.1824 0.1824 0.1824 0.1824 0.9266 0.9266 0.9266 0.9266 1.4773 1.4773 1.4773 1.4773 2.2440 2.2440 2.2440 2.2440 7.0161 7.0161 7.0161 7.0161 k = 0.3824 0.4984-0.0000 ( 4194 PWs) bands (ev): -8.3859 -8.3859 -8.3859 -8.3859 -6.0102 -6.0102 -6.0102 -6.0102 -5.9440 -5.9440 -5.9440 -5.9440 -5.3210 -5.3210 -5.3210 -5.3210 -5.2775 -5.2775 -5.2775 -5.2775 -5.2280 -5.2280 -5.2280 -5.2280 0.1666 0.1666 0.1666 0.1666 0.9294 0.9294 0.9294 0.9294 1.4721 1.4721 1.4721 1.4721 2.3127 2.3127 2.3127 2.3127 7.0316 7.0316 7.0316 7.0316 k = 0.3676 0.4984-0.0000 ( 4198 PWs) bands (ev): -8.3861 -8.3861 -8.3861 -8.3861 -6.0103 -6.0103 -6.0103 -6.0103 -5.9459 -5.9459 -5.9459 -5.9459 -5.3210 -5.3210 -5.3210 -5.3210 -5.2782 -5.2782 -5.2782 -5.2782 -5.2307 -5.2307 -5.2307 -5.2307 0.1479 0.1479 0.1479 0.1479 0.9372 0.9372 0.9372 0.9372 1.4664 1.4664 1.4664 1.4664 2.3861 2.3861 2.3861 2.3861 7.0485 7.0485 7.0485 7.0485 k = 0.3529 0.4984-0.0000 ( 4202 PWs) bands (ev): -8.3863 -8.3863 -8.3863 -8.3863 -6.0103 -6.0103 -6.0103 -6.0103 -5.9480 -5.9480 -5.9480 -5.9480 -5.3211 -5.3211 -5.3211 -5.3211 -5.2790 -5.2790 -5.2790 -5.2790 -5.2337 -5.2337 -5.2337 -5.2337 0.1265 0.1265 0.1265 0.1265 0.9502 0.9502 0.9502 0.9502 1.4602 1.4602 1.4602 1.4602 2.4635 2.4635 2.4635 2.4635 7.0665 7.0665 7.0665 7.0665 k = 0.3382 0.4984-0.0000 ( 4198 PWs) bands (ev): -8.3865 -8.3865 -8.3865 -8.3865 -6.0104 -6.0104 -6.0104 -6.0104 -5.9503 -5.9503 -5.9503 -5.9503 -5.3211 -5.3211 -5.3211 -5.3211 -5.2798 -5.2798 -5.2798 -5.2798 -5.2368 -5.2368 -5.2368 -5.2368 0.1027 0.1027 0.1027 0.1027 0.9684 0.9684 0.9684 0.9684 1.4537 1.4537 1.4537 1.4537 2.5440 2.5440 2.5440 2.5440 7.0853 7.0853 7.0853 7.0853 k = 0.3235 0.4984-0.0000 ( 4210 PWs) bands (ev): -8.3867 -8.3867 -8.3867 -8.3867 -6.0105 -6.0105 -6.0105 -6.0105 -5.9527 -5.9527 -5.9527 -5.9527 -5.3212 -5.3212 -5.3212 -5.3212 -5.2807 -5.2807 -5.2807 -5.2807 -5.2400 -5.2400 -5.2400 -5.2400 0.0770 0.0770 0.0770 0.0770 0.9917 0.9917 0.9917 0.9917 1.4468 1.4468 1.4468 1.4468 2.6272 2.6272 2.6272 2.6272 7.1042 7.1042 7.1042 7.1042 k = 0.3088 0.4984-0.0000 ( 4202 PWs) bands (ev): -8.3870 -8.3870 -8.3870 -8.3870 -6.0105 -6.0105 -6.0105 -6.0105 -5.9552 -5.9552 -5.9552 -5.9552 -5.3212 -5.3212 -5.3212 -5.3212 -5.2817 -5.2817 -5.2817 -5.2817 -5.2433 -5.2433 -5.2433 -5.2433 0.0498 0.0498 0.0498 0.0498 1.0196 1.0196 1.0196 1.0196 1.4396 1.4396 1.4396 1.4396 2.7125 2.7125 2.7125 2.7125 7.1221 7.1221 7.1221 7.1221 k = 0.2941 0.4984-0.0000 ( 4198 PWs) bands (ev): -8.3872 -8.3872 -8.3872 -8.3872 -6.0106 -6.0106 -6.0106 -6.0106 -5.9578 -5.9578 -5.9578 -5.9578 -5.3213 -5.3213 -5.3213 -5.3213 -5.2828 -5.2828 -5.2828 -5.2828 -5.2466 -5.2466 -5.2466 -5.2466 0.0217 0.0217 0.0217 0.0217 1.0518 1.0518 1.0518 1.0518 1.4323 1.4323 1.4323 1.4323 2.7993 2.7993 2.7993 2.7993 7.1359 7.1359 7.1359 7.1359 k = 0.2794 0.4984-0.0000 ( 4190 PWs) bands (ev): -8.3874 -8.3874 -8.3874 -8.3874 -6.0106 -6.0106 -6.0106 -6.0106 -5.9605 -5.9605 -5.9605 -5.9605 -5.3213 -5.3213 -5.3213 -5.3213 -5.2840 -5.2840 -5.2840 -5.2840 -5.2499 -5.2499 -5.2499 -5.2499 -0.0070 -0.0070 -0.0070 -0.0070 1.0877 1.0877 1.0877 1.0877 1.4248 1.4248 1.4248 1.4248 2.8873 2.8873 2.8873 2.8873 7.1365 7.1365 7.1365 7.1365 k = 0.2647 0.4984-0.0000 ( 4184 PWs) bands (ev): -8.3877 -8.3877 -8.3877 -8.3877 -6.0106 -6.0106 -6.0106 -6.0106 -5.9632 -5.9632 -5.9632 -5.9632 -5.3214 -5.3214 -5.3214 -5.3214 -5.2853 -5.2853 -5.2853 -5.2853 -5.2531 -5.2531 -5.2531 -5.2531 -0.0358 -0.0358 -0.0358 -0.0358 1.1269 1.1269 1.1269 1.1269 1.4173 1.4173 1.4173 1.4173 2.9758 2.9758 2.9758 2.9758 7.1012 7.1012 7.1012 7.1013 k = 0.2500 0.4984-0.0000 ( 4184 PWs) bands (ev): -8.3879 -8.3879 -8.3879 -8.3879 -6.0107 -6.0107 -6.0107 -6.0107 -5.9661 -5.9661 -5.9661 -5.9661 -5.3214 -5.3214 -5.3214 -5.3214 -5.2867 -5.2867 -5.2867 -5.2867 -5.2563 -5.2563 -5.2563 -5.2563 -0.0643 -0.0643 -0.0643 -0.0643 1.1687 1.1687 1.1687 1.1687 1.4100 1.4100 1.4100 1.4100 3.0644 3.0644 3.0644 3.0644 7.0263 7.0263 7.0263 7.0263 k = 0.2353 0.4984-0.0000 ( 4188 PWs) bands (ev): -8.3882 -8.3882 -8.3882 -8.3882 -6.0107 -6.0107 -6.0107 -6.0107 -5.9689 -5.9689 -5.9689 -5.9689 -5.3214 -5.3214 -5.3214 -5.3214 -5.2882 -5.2882 -5.2882 -5.2882 -5.2593 -5.2593 -5.2593 -5.2593 -0.0922 -0.0922 -0.0922 -0.0922 1.2126 1.2126 1.2126 1.2126 1.4028 1.4028 1.4028 1.4028 3.1527 3.1527 3.1527 3.1527 6.9348 6.9348 6.9348 6.9348 k = 0.2206 0.4984-0.0000 ( 4190 PWs) bands (ev): -8.3885 -8.3885 -8.3885 -8.3885 -6.0107 -6.0107 -6.0107 -6.0107 -5.9717 -5.9717 -5.9717 -5.9717 -5.3215 -5.3215 -5.3215 -5.3215 -5.2899 -5.2899 -5.2899 -5.2899 -5.2621 -5.2621 -5.2621 -5.2621 -0.1193 -0.1193 -0.1193 -0.1193 1.2578 1.2578 1.2578 1.2578 1.3963 1.3963 1.3963 1.3963 3.2401 3.2401 3.2401 3.2401 6.8383 6.8383 6.8383 6.8383 k = 0.2059 0.4984-0.0000 ( 4186 PWs) bands (ev): -8.3887 -8.3887 -8.3887 -8.3887 -6.0107 -6.0107 -6.0107 -6.0107 -5.9745 -5.9745 -5.9745 -5.9745 -5.3215 -5.3215 -5.3215 -5.3215 -5.2916 -5.2916 -5.2916 -5.2916 -5.2646 -5.2646 -5.2646 -5.2646 -0.1453 -0.1453 -0.1453 -0.1453 1.3028 1.3028 1.3028 1.3028 1.3914 1.3914 1.3914 1.3914 3.3261 3.3261 3.3261 3.3261 6.7410 6.7410 6.7410 6.7410 k = 0.1912 0.4984-0.0000 ( 4182 PWs) bands (ev): -8.3889 -8.3889 -8.3889 -8.3889 -6.0107 -6.0107 -6.0107 -6.0107 -5.9773 -5.9773 -5.9773 -5.9773 -5.3216 -5.3216 -5.3216 -5.3216 -5.2934 -5.2934 -5.2934 -5.2934 -5.2670 -5.2670 -5.2670 -5.2670 -0.1701 -0.1701 -0.1701 -0.1701 1.3426 1.3426 1.3426 1.3426 1.3926 1.3926 1.3926 1.3926 3.4102 3.4102 3.4102 3.4102 6.6447 6.6447 6.6447 6.6447 k = 0.1765 0.4984-0.0000 ( 4184 PWs) bands (ev): -8.3892 -8.3892 -8.3892 -8.3892 -6.0106 -6.0106 -6.0106 -6.0106 -5.9800 -5.9800 -5.9800 -5.9800 -5.3216 -5.3216 -5.3216 -5.3216 -5.2953 -5.2953 -5.2953 -5.2953 -5.2691 -5.2691 -5.2691 -5.2691 -0.1936 -0.1936 -0.1936 -0.1936 1.3597 1.3597 1.3597 1.3597 1.4169 1.4169 1.4169 1.4169 3.4917 3.4917 3.4917 3.4917 6.5509 6.5509 6.5509 6.5509 k = 0.1618 0.4984-0.0000 ( 4192 PWs) bands (ev): -8.3894 -8.3894 -8.3894 -8.3894 -6.0105 -6.0105 -6.0105 -6.0105 -5.9826 -5.9826 -5.9826 -5.9826 -5.3217 -5.3217 -5.3217 -5.3217 -5.2972 -5.2972 -5.2972 -5.2972 -5.2710 -5.2710 -5.2710 -5.2710 -0.2155 -0.2155 -0.2155 -0.2155 1.3589 1.3589 1.3589 1.3589 1.4590 1.4590 1.4590 1.4590 3.5700 3.5700 3.5700 3.5700 6.4607 6.4607 6.4607 6.4607 k = 0.1471 0.4984-0.0000 ( 4184 PWs) bands (ev): -8.3896 -8.3896 -8.3896 -8.3896 -6.0104 -6.0104 -6.0104 -6.0104 -5.9851 -5.9851 -5.9851 -5.9851 -5.3218 -5.3218 -5.3218 -5.3218 -5.2990 -5.2990 -5.2990 -5.2990 -5.2726 -5.2726 -5.2726 -5.2726 -0.2357 -0.2357 -0.2357 -0.2357 1.3547 1.3547 1.3547 1.3547 1.5039 1.5039 1.5039 1.5039 3.6446 3.6446 3.6446 3.6446 6.3749 6.3749 6.3749 6.3749 k = 0.1324 0.4984-0.0000 ( 4176 PWs) bands (ev): -8.3898 -8.3898 -8.3898 -8.3898 -6.0103 -6.0103 -6.0103 -6.0103 -5.9875 -5.9875 -5.9875 -5.9875 -5.3219 -5.3219 -5.3219 -5.3219 -5.3008 -5.3008 -5.3008 -5.3008 -5.2740 -5.2740 -5.2740 -5.2740 -0.2543 -0.2543 -0.2543 -0.2543 1.3498 1.3498 1.3498 1.3498 1.5481 1.5481 1.5481 1.5481 3.7147 3.7147 3.7147 3.7147 6.2944 6.2944 6.2944 6.2944 k = 0.1176 0.4984-0.0000 ( 4176 PWs) bands (ev): -8.3900 -8.3900 -8.3900 -8.3900 -6.0101 -6.0101 -6.0101 -6.0101 -5.9897 -5.9897 -5.9897 -5.9897 -5.3220 -5.3220 -5.3220 -5.3220 -5.3024 -5.3024 -5.3024 -5.3024 -5.2753 -5.2753 -5.2753 -5.2753 -0.2710 -0.2710 -0.2710 -0.2710 1.3451 1.3451 1.3451 1.3451 1.5904 1.5904 1.5904 1.5904 3.7797 3.7797 3.7797 3.7797 6.2201 6.2201 6.2201 6.2201 k = 0.1029 0.4984-0.0000 ( 4178 PWs) bands (ev): -8.3902 -8.3902 -8.3902 -8.3902 -6.0098 -6.0098 -6.0098 -6.0098 -5.9918 -5.9918 -5.9918 -5.9918 -5.3221 -5.3221 -5.3221 -5.3221 -5.3040 -5.3040 -5.3040 -5.3040 -5.2763 -5.2763 -5.2763 -5.2763 -0.2860 -0.2860 -0.2860 -0.2860 1.3407 1.3407 1.3407 1.3407 1.6299 1.6299 1.6299 1.6299 3.8388 3.8388 3.8388 3.8388 6.1526 6.1526 6.1526 6.1526 k = 0.0882 0.4984-0.0000 ( 4174 PWs) bands (ev): -8.3903 -8.3903 -8.3903 -8.3903 -6.0096 -6.0096 -6.0096 -6.0096 -5.9937 -5.9937 -5.9937 -5.9937 -5.3223 -5.3223 -5.3223 -5.3223 -5.3053 -5.3053 -5.3053 -5.3053 -5.2772 -5.2772 -5.2772 -5.2772 -0.2990 -0.2990 -0.2990 -0.2990 1.3368 1.3368 1.3368 1.3368 1.6659 1.6659 1.6659 1.6659 3.8916 3.8916 3.8916 3.8916 6.0928 6.0928 6.0928 6.0928 k = 0.0735 0.4984-0.0000 ( 4176 PWs) bands (ev): -8.3904 -8.3904 -8.3904 -8.3904 -6.0093 -6.0093 -6.0093 -6.0093 -5.9954 -5.9954 -5.9954 -5.9954 -5.3225 -5.3225 -5.3225 -5.3225 -5.3064 -5.3064 -5.3064 -5.3064 -5.2780 -5.2780 -5.2780 -5.2780 -0.3100 -0.3100 -0.3100 -0.3100 1.3333 1.3333 1.3333 1.3333 1.6977 1.6977 1.6977 1.6977 3.9372 3.9372 3.9372 3.9372 6.0411 6.0411 6.0411 6.0411 k = 0.0588 0.4984-0.0000 ( 4168 PWs) bands (ev): -8.3905 -8.3905 -8.3905 -8.3905 -6.0089 -6.0089 -6.0089 -6.0089 -5.9969 -5.9969 -5.9969 -5.9969 -5.3226 -5.3226 -5.3226 -5.3226 -5.3073 -5.3073 -5.3073 -5.3073 -5.2786 -5.2786 -5.2786 -5.2786 -0.3192 -0.3192 -0.3192 -0.3192 1.3305 1.3305 1.3305 1.3305 1.7247 1.7247 1.7247 1.7247 3.9754 3.9754 3.9754 3.9754 5.9981 5.9981 5.9981 5.9981 k = 0.0441 0.4984-0.0000 ( 4174 PWs) bands (ev): -8.3906 -8.3906 -8.3906 -8.3906 -6.0086 -6.0086 -6.0086 -6.0086 -5.9982 -5.9982 -5.9982 -5.9982 -5.3228 -5.3228 -5.3228 -5.3228 -5.3080 -5.3080 -5.3080 -5.3080 -5.2790 -5.2790 -5.2790 -5.2790 -0.3263 -0.3263 -0.3263 -0.3263 1.3282 1.3282 1.3282 1.3282 1.7463 1.7463 1.7463 1.7463 4.0055 4.0055 4.0055 4.0055 5.9643 5.9643 5.9643 5.9643 k = 0.0294 0.4984-0.0000 ( 4166 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0083 -6.0083 -6.0083 -6.0083 -5.9992 -5.9992 -5.9992 -5.9992 -5.3230 -5.3230 -5.3230 -5.3230 -5.3085 -5.3085 -5.3085 -5.3085 -5.2793 -5.2793 -5.2793 -5.2793 -0.3313 -0.3313 -0.3313 -0.3313 1.3266 1.3266 1.3266 1.3266 1.7621 1.7621 1.7621 1.7621 4.0273 4.0273 4.0273 4.0273 5.9399 5.9399 5.9399 5.9399 k = 0.0147 0.4984-0.0000 ( 4166 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0081 -6.0081 -6.0081 -6.0081 -5.9998 -5.9998 -5.9998 -5.9998 -5.3230 -5.3230 -5.3230 -5.3230 -5.3088 -5.3088 -5.3088 -5.3088 -5.2795 -5.2795 -5.2795 -5.2795 -0.3344 -0.3344 -0.3344 -0.3344 1.3256 1.3256 1.3256 1.3256 1.7718 1.7718 1.7718 1.7718 4.0404 4.0404 4.0404 4.0404 5.9252 5.9252 5.9252 5.9252 k = 0.0000 0.4984-0.0000 ( 4170 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0080 -6.0080 -6.0080 -6.0080 -6.0000 -6.0000 -6.0000 -6.0000 -5.3231 -5.3231 -5.3231 -5.3231 -5.3089 -5.3089 -5.3089 -5.3089 -5.2796 -5.2796 -5.2796 -5.2796 -0.3354 -0.3354 -0.3354 -0.3354 1.3253 1.3253 1.3253 1.3253 1.7750 1.7750 1.7750 1.7750 4.0448 4.0448 4.0448 4.0448 5.9203 5.9203 5.9203 5.9203 k = 0.0000 0.4984-0.0000 ( 4170 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0080 -6.0080 -6.0080 -6.0080 -6.0000 -6.0000 -6.0000 -6.0000 -5.3231 -5.3231 -5.3231 -5.3231 -5.3089 -5.3089 -5.3089 -5.3089 -5.2796 -5.2796 -5.2796 -5.2796 -0.3354 -0.3354 -0.3354 -0.3354 1.3253 1.3253 1.3253 1.3253 1.7750 1.7750 1.7750 1.7750 4.0448 4.0448 4.0448 4.0448 5.9203 5.9203 5.9203 5.9203 k = 0.0000 0.4837-0.0000 ( 4176 PWs) bands (ev): -8.3976 -8.3976 -8.3842 -8.3842 -6.0093 -6.0093 -6.0067 -6.0067 -6.0002 -6.0002 -5.9998 -5.9998 -5.3243 -5.3243 -5.3217 -5.3217 -5.3095 -5.3095 -5.3083 -5.3083 -5.2799 -5.2799 -5.2793 -5.2793 -0.3364 -0.3364 -0.3312 -0.3312 1.2842 1.2842 1.3663 1.3663 1.7735 1.7735 1.7747 1.7747 4.0006 4.0006 4.0806 4.0806 5.8742 5.8742 5.9766 5.9766 k = 0.0000 0.4691-0.0000 ( 4172 PWs) bands (ev): -8.4049 -8.4049 -8.3782 -8.3782 -6.0105 -6.0105 -6.0053 -6.0053 -6.0003 -6.0003 -5.9995 -5.9995 -5.3255 -5.3255 -5.3203 -5.3203 -5.3100 -5.3100 -5.3076 -5.3076 -5.2802 -5.2802 -5.2790 -5.2790 -0.3342 -0.3342 -0.3237 -0.3237 1.2430 1.2430 1.4071 1.4071 1.7701 1.7701 1.7726 1.7726 3.9493 3.9493 4.1066 4.1066 5.8400 5.8400 6.0417 6.0417 k = 0.0000 0.4544-0.0000 ( 4176 PWs) bands (ev): -8.4126 -8.4126 -8.3725 -8.3725 -6.0116 -6.0116 -6.0040 -6.0040 -6.0003 -6.0003 -5.9991 -5.9991 -5.3265 -5.3265 -5.3189 -5.3189 -5.3104 -5.3104 -5.3068 -5.3068 -5.2804 -5.2804 -5.2787 -5.2787 -0.3288 -0.3288 -0.3129 -0.3129 1.2020 1.2020 1.4475 1.4475 1.7650 1.7650 1.7687 1.7687 3.8924 3.8924 4.1213 4.1213 5.8187 5.8187 6.1144 6.1144 k = 0.0000 0.4398-0.0000 ( 4178 PWs) bands (ev): -8.4206 -8.4206 -8.3674 -8.3674 -6.0127 -6.0127 -6.0028 -6.0028 -6.0002 -6.0002 -5.9986 -5.9986 -5.3275 -5.3275 -5.3173 -5.3173 -5.3108 -5.3108 -5.3060 -5.3060 -5.2807 -5.2807 -5.2784 -5.2784 -0.3203 -0.3203 -0.2988 -0.2988 1.1611 1.1611 1.4874 1.4874 1.7583 1.7583 1.7631 1.7631 3.8308 3.8308 4.1241 4.1241 5.8113 5.8113 6.1934 6.1934 k = 0.0000 0.4251-0.0000 ( 4182 PWs) bands (ev): -8.4289 -8.4289 -8.3626 -8.3626 -6.0137 -6.0137 -6.0020 -6.0020 -6.0000 -6.0000 -5.9977 -5.9977 -5.3283 -5.3283 -5.3158 -5.3158 -5.3112 -5.3112 -5.3051 -5.3051 -5.2810 -5.2810 -5.2780 -5.2780 -0.3087 -0.3087 -0.2815 -0.2815 1.1205 1.1205 1.5266 1.5266 1.7499 1.7499 1.7560 1.7560 3.7657 3.7657 4.1143 4.1143 5.8183 5.8183 6.2778 6.2778 k = 0.0000 0.4105-0.0000 ( 4186 PWs) bands (ev): -8.4375 -8.4375 -8.3584 -8.3584 -6.0146 -6.0146 -6.0015 -6.0015 -5.9996 -5.9996 -5.9965 -5.9965 -5.3291 -5.3291 -5.3143 -5.3143 -5.3115 -5.3115 -5.3041 -5.3041 -5.2814 -5.2814 -5.2776 -5.2776 -0.2941 -0.2941 -0.2608 -0.2608 1.0803 1.0803 1.5650 1.5650 1.7400 1.7400 1.7475 1.7475 3.6976 3.6976 4.0922 4.0922 5.8394 5.8394 6.3667 6.3667 k = 0.0000 0.3958-0.0000 ( 4182 PWs) bands (ev): -8.4463 -8.4463 -8.3546 -8.3546 -6.0154 -6.0154 -6.0013 -6.0013 -5.9992 -5.9992 -5.9949 -5.9949 -5.3297 -5.3297 -5.3130 -5.3130 -5.3115 -5.3115 -5.3030 -5.3030 -5.2816 -5.2816 -5.2772 -5.2772 -0.2765 -0.2765 -0.2369 -0.2369 1.0407 1.0407 1.6020 1.6020 1.7288 1.7288 1.7381 1.7381 3.6273 3.6273 4.0587 4.0587 5.8737 5.8737 6.4595 6.4595 k = 0.0000 0.3811-0.0000 ( 4190 PWs) bands (ev): -8.4553 -8.4553 -8.3512 -8.3512 -6.0162 -6.0162 -6.0012 -6.0012 -5.9988 -5.9988 -5.9932 -5.9932 -5.3303 -5.3303 -5.3124 -5.3124 -5.3108 -5.3108 -5.3018 -5.3018 -5.2820 -5.2820 -5.2766 -5.2766 -0.2561 -0.2561 -0.2097 -0.2097 1.0016 1.0016 1.6367 1.6367 1.7165 1.7165 1.7287 1.7287 3.5553 3.5553 4.0148 4.0148 5.9202 5.9202 6.5556 6.5556 k = 0.0000 0.3665-0.0000 ( 4186 PWs) bands (ev): -8.4645 -8.4645 -8.3482 -8.3482 -6.0169 -6.0169 -6.0011 -6.0011 -5.9984 -5.9984 -5.9913 -5.9913 -5.3307 -5.3307 -5.3125 -5.3125 -5.3095 -5.3095 -5.3005 -5.3005 -5.2823 -5.2823 -5.2760 -5.2760 -0.2330 -0.2330 -0.1793 -0.1793 0.9631 0.9631 1.6650 1.6650 1.7032 1.7032 1.7235 1.7235 3.4819 3.4819 3.9618 3.9618 5.9774 5.9774 6.6543 6.6543 k = 0.0000 0.3518-0.0000 ( 4184 PWs) bands (ev): -8.4738 -8.4738 -8.3457 -8.3457 -6.0175 -6.0175 -6.0010 -6.0010 -5.9981 -5.9981 -5.9894 -5.9894 -5.3311 -5.3311 -5.3126 -5.3126 -5.3082 -5.3082 -5.2992 -5.2992 -5.2826 -5.2826 -5.2752 -5.2752 -0.2072 -0.2072 -0.1458 -0.1458 0.9255 0.9255 1.6751 1.6751 1.6893 1.6893 1.7343 1.7343 3.4076 3.4076 3.9012 3.9012 6.0440 6.0440 6.7550 6.7550 k = 0.0000 0.3372-0.0000 ( 4186 PWs) bands (ev): -8.4831 -8.4831 -8.3436 -8.3436 -6.0180 -6.0180 -6.0008 -6.0008 -5.9977 -5.9977 -5.9874 -5.9874 -5.3314 -5.3314 -5.3128 -5.3128 -5.3070 -5.3070 -5.2978 -5.2978 -5.2829 -5.2829 -5.2744 -5.2744 -0.1788 -0.1788 -0.1091 -0.1091 0.8887 0.8887 1.6672 1.6672 1.6748 1.6748 1.7608 1.7608 3.3324 3.3324 3.8343 3.8343 6.1185 6.1185 6.8567 6.8567 k = 0.0000 0.3225-0.0000 ( 4190 PWs) bands (ev): -8.4925 -8.4925 -8.3419 -8.3419 -6.0185 -6.0185 -6.0007 -6.0007 -5.9974 -5.9974 -5.9854 -5.9854 -5.3316 -5.3316 -5.3129 -5.3129 -5.3058 -5.3058 -5.2965 -5.2965 -5.2832 -5.2832 -5.2734 -5.2734 -0.1480 -0.1480 -0.0693 -0.0693 0.8529 0.8529 1.6533 1.6533 1.6596 1.6596 1.7916 1.7916 3.2567 3.2567 3.7620 3.7620 6.1997 6.1997 6.9564 6.9564 k = 0.0000 0.3078-0.0000 ( 4198 PWs) bands (ev): -8.5019 -8.5019 -8.3405 -8.3405 -6.0190 -6.0190 -6.0006 -6.0006 -5.9971 -5.9971 -5.9834 -5.9834 -5.3317 -5.3317 -5.3130 -5.3130 -5.3047 -5.3047 -5.2952 -5.2952 -5.2834 -5.2834 -5.2723 -5.2723 -0.1149 -0.1149 -0.0265 -0.0265 0.8181 0.8181 1.6376 1.6376 1.6438 1.6438 1.8227 1.8227 3.1806 3.1806 3.6854 3.6854 6.2866 6.2866 7.0392 7.0392 k = 0.0000 0.2932-0.0000 ( 4196 PWs) bands (ev): -8.5112 -8.5112 -8.3394 -8.3394 -6.0194 -6.0194 -6.0004 -6.0004 -5.9968 -5.9968 -5.9814 -5.9814 -5.3318 -5.3318 -5.3130 -5.3130 -5.3036 -5.3036 -5.2940 -5.2940 -5.2836 -5.2836 -5.2711 -5.2711 -0.0796 -0.0796 0.0192 0.0192 0.7843 0.7843 1.6210 1.6210 1.6277 1.6277 1.8532 1.8532 3.1043 3.1043 3.6054 3.6054 6.3782 6.3782 7.0632 7.0632 k = 0.0000 0.2785-0.0000 ( 4196 PWs) bands (ev): -8.5203 -8.5203 -8.3387 -8.3387 -6.0197 -6.0197 -6.0002 -6.0002 -5.9965 -5.9965 -5.9794 -5.9794 -5.3319 -5.3319 -5.3130 -5.3130 -5.3027 -5.3027 -5.2930 -5.2930 -5.2837 -5.2837 -5.2697 -5.2697 -0.0424 -0.0424 0.0678 0.0678 0.7518 0.7518 1.6038 1.6038 1.6117 1.6117 1.8827 1.8827 3.0280 3.0280 3.5226 3.5226 6.4735 6.4735 7.0542 7.0542 k = 0.0000 0.2639-0.0000 ( 4184 PWs) bands (ev): -8.5294 -8.5294 -8.3382 -8.3382 -6.0200 -6.0200 -6.0000 -6.0000 -5.9961 -5.9961 -5.9775 -5.9775 -5.3319 -5.3319 -5.3130 -5.3130 -5.3017 -5.3017 -5.2922 -5.2922 -5.2836 -5.2836 -5.2682 -5.2682 -0.0034 -0.0034 0.1191 0.1191 0.7205 0.7205 1.5862 1.5862 1.5961 1.5961 1.9110 1.9110 2.9516 2.9516 3.4375 3.4375 6.5717 6.5717 7.0400 7.0400 k = 0.0000 0.2492-0.0000 ( 4194 PWs) bands (ev): -8.5382 -8.5382 -8.3380 -8.3380 -6.0202 -6.0202 -5.9998 -5.9998 -5.9959 -5.9959 -5.9756 -5.9756 -5.3319 -5.3319 -5.3129 -5.3129 -5.3009 -5.3009 -5.2916 -5.2916 -5.2835 -5.2835 -5.2666 -5.2666 0.0372 0.0372 0.1730 0.1730 0.6905 0.6905 1.5684 1.5684 1.5810 1.5810 1.9379 1.9379 2.8755 2.8755 3.3508 3.3508 6.6715 6.6715 7.0263 7.0263 k = 0.0000 0.2345-0.0000 ( 4194 PWs) bands (ev): -8.5467 -8.5467 -8.3380 -8.3380 -6.0204 -6.0204 -5.9996 -5.9996 -5.9956 -5.9956 -5.9737 -5.9737 -5.3318 -5.3318 -5.3128 -5.3128 -5.3001 -5.3001 -5.2912 -5.2912 -5.2832 -5.2832 -5.2649 -5.2649 0.0791 0.0791 0.2294 0.2294 0.6619 0.6619 1.5506 1.5506 1.5669 1.5669 1.9635 1.9635 2.7996 2.7996 3.2628 3.2628 6.7702 6.7702 7.0162 7.0162 k = 0.0000 0.2199-0.0000 ( 4186 PWs) bands (ev): -8.5550 -8.5550 -8.3382 -8.3382 -6.0206 -6.0206 -5.9994 -5.9994 -5.9953 -5.9953 -5.9719 -5.9719 -5.3318 -5.3318 -5.3126 -5.3126 -5.2993 -5.2993 -5.2910 -5.2910 -5.2827 -5.2827 -5.2631 -5.2631 0.1222 0.1222 0.2881 0.2881 0.6347 0.6347 1.5328 1.5328 1.5539 1.5539 1.9876 1.9876 2.7241 2.7241 3.1739 3.1739 6.8599 6.8599 7.0177 7.0177 k = 0.0000 0.2052-0.0000 ( 4182 PWs) bands (ev): -8.5630 -8.5630 -8.3385 -8.3385 -6.0208 -6.0208 -5.9992 -5.9992 -5.9950 -5.9950 -5.9701 -5.9701 -5.3317 -5.3317 -5.3124 -5.3124 -5.2987 -5.2987 -5.2909 -5.2909 -5.2822 -5.2822 -5.2613 -5.2613 0.1660 0.1660 0.3490 0.3490 0.6091 0.6091 1.5153 1.5153 1.5422 1.5422 2.0103 2.0103 2.6492 2.6492 3.0845 3.0845 6.9147 6.9147 7.0563 7.0563 k = 0.0000 0.1906-0.0000 ( 4180 PWs) bands (ev): -8.5706 -8.5706 -8.3390 -8.3390 -6.0209 -6.0209 -5.9990 -5.9990 -5.9948 -5.9948 -5.9685 -5.9685 -5.3317 -5.3317 -5.3121 -5.3121 -5.2982 -5.2982 -5.2910 -5.2910 -5.2816 -5.2816 -5.2595 -5.2595 0.2103 0.2103 0.4119 0.4119 0.5850 0.5850 1.4981 1.4981 1.5322 1.5322 2.0313 2.0313 2.5750 2.5750 2.9950 2.9950 6.9256 6.9256 7.1408 7.1408 k = 0.0000 0.1759-0.0000 ( 4184 PWs) bands (ev): -8.5777 -8.5777 -8.3396 -8.3396 -6.0210 -6.0210 -5.9988 -5.9988 -5.9946 -5.9946 -5.9669 -5.9669 -5.3317 -5.3317 -5.3118 -5.3118 -5.2978 -5.2978 -5.2910 -5.2910 -5.2810 -5.2810 -5.2578 -5.2578 0.2548 0.2548 0.4763 0.4763 0.5627 0.5627 1.4812 1.4812 1.5241 1.5241 2.0508 2.0508 2.5016 2.5016 2.9058 2.9058 6.9207 6.9207 7.2425 7.2425 k = 0.0000 0.1612-0.0000 ( 4192 PWs) bands (ev): -8.5845 -8.5845 -8.3402 -8.3402 -6.0212 -6.0212 -5.9986 -5.9986 -5.9944 -5.9944 -5.9654 -5.9654 -5.3317 -5.3317 -5.3115 -5.3115 -5.2976 -5.2976 -5.2910 -5.2910 -5.2805 -5.2805 -5.2561 -5.2561 0.2988 0.2988 0.5352 0.5352 0.5490 0.5490 1.4649 1.4649 1.5182 1.5182 2.0686 2.0686 2.4293 2.4293 2.8173 2.8173 6.9121 6.9121 7.3493 7.3493 k = 0.0000 0.1466-0.0000 ( 4190 PWs) bands (ev): -8.5907 -8.5907 -8.3409 -8.3409 -6.0212 -6.0212 -5.9984 -5.9984 -5.9942 -5.9942 -5.9641 -5.9641 -5.3317 -5.3317 -5.3110 -5.3110 -5.2975 -5.2975 -5.2909 -5.2909 -5.2799 -5.2799 -5.2544 -5.2544 0.3421 0.3421 0.5214 0.5214 0.6109 0.6109 1.4489 1.4489 1.5148 1.5148 2.0847 2.0847 2.3584 2.3584 2.7301 2.7301 6.9026 6.9026 7.4577 7.4577 k = 0.0000 0.1319-0.0000 ( 4192 PWs) bands (ev): -8.5965 -8.5965 -8.3416 -8.3416 -6.0213 -6.0213 -5.9983 -5.9983 -5.9941 -5.9941 -5.9628 -5.9628 -5.3317 -5.3317 -5.3106 -5.3106 -5.2977 -5.2977 -5.2908 -5.2908 -5.2794 -5.2794 -5.2529 -5.2529 0.3841 0.3841 0.5042 0.5042 0.6788 0.6788 1.4334 1.4334 1.5142 1.5142 2.0986 2.0986 2.2895 2.2895 2.6446 2.6446 6.8933 6.8933 7.5663 7.5663 k = 0.0000 0.1173-0.0000 ( 4186 PWs) bands (ev): -8.6017 -8.6017 -8.3423 -8.3423 -6.0213 -6.0213 -5.9981 -5.9981 -5.9939 -5.9939 -5.9617 -5.9617 -5.3317 -5.3317 -5.3101 -5.3101 -5.2979 -5.2979 -5.2906 -5.2906 -5.2789 -5.2789 -5.2515 -5.2515 0.4241 0.4241 0.4885 0.4885 0.7471 0.7471 1.4182 1.4182 1.5168 1.5168 2.1094 2.1094 2.2238 2.2238 2.5616 2.5616 6.8846 6.8846 7.6742 7.6742 k = 0.0000 0.1026-0.0000 ( 4186 PWs) bands (ev): -8.6064 -8.6064 -8.3430 -8.3430 -6.0214 -6.0214 -5.9979 -5.9979 -5.9938 -5.9938 -5.9606 -5.9606 -5.3317 -5.3317 -5.3095 -5.3095 -5.2982 -5.2982 -5.2903 -5.2903 -5.2785 -5.2785 -5.2502 -5.2502 0.4615 0.4615 0.4746 0.4746 0.8152 0.8152 1.4031 1.4031 1.5229 1.5229 2.1107 2.1107 2.1681 2.1681 2.4821 2.4821 6.8767 6.8767 7.7808 7.7808 k = 0.0000 0.0880-0.0000 ( 4188 PWs) bands (ev): -8.6105 -8.6105 -8.3436 -8.3436 -6.0214 -6.0214 -5.9978 -5.9978 -5.9937 -5.9937 -5.9597 -5.9597 -5.3317 -5.3317 -5.3090 -5.3090 -5.2987 -5.2987 -5.2900 -5.2900 -5.2781 -5.2781 -5.2490 -5.2490 0.4623 0.4623 0.4959 0.4959 0.8824 0.8824 1.3878 1.3878 1.5327 1.5327 2.0764 2.0764 2.1489 2.1489 2.4070 2.4070 6.8698 6.8698 7.8854 7.8854 k = 0.0000 0.0733-0.0000 ( 4188 PWs) bands (ev): -8.6140 -8.6140 -8.3442 -8.3442 -6.0215 -6.0215 -5.9977 -5.9977 -5.9936 -5.9936 -5.9590 -5.9590 -5.3317 -5.3317 -5.3085 -5.3085 -5.2991 -5.2991 -5.2898 -5.2898 -5.2777 -5.2777 -5.2480 -5.2480 0.4520 0.4520 0.5263 0.5263 0.9476 0.9476 1.3719 1.3719 1.5462 1.5462 2.0216 2.0216 2.1518 2.1518 2.3380 2.3380 6.8638 6.8638 7.9872 7.9872 k = 0.0000 0.0586-0.0000 ( 4178 PWs) bands (ev): -8.6169 -8.6169 -8.3447 -8.3447 -6.0215 -6.0215 -5.9976 -5.9976 -5.9935 -5.9935 -5.9583 -5.9583 -5.3317 -5.3317 -5.3079 -5.3079 -5.2996 -5.2996 -5.2896 -5.2896 -5.2774 -5.2774 -5.2472 -5.2472 0.4435 0.4435 0.5522 0.5522 1.0096 1.0096 1.3550 1.3550 1.5632 1.5632 1.9669 1.9669 2.1568 2.1568 2.2769 2.2769 6.8588 6.8588 8.0852 8.0852 k = 0.0000 0.0440-0.0000 ( 4182 PWs) bands (ev): -8.6192 -8.6192 -8.3451 -8.3451 -6.0215 -6.0215 -5.9975 -5.9975 -5.9935 -5.9935 -5.9578 -5.9578 -5.3318 -5.3318 -5.3074 -5.3074 -5.3001 -5.3001 -5.2894 -5.2894 -5.2772 -5.2772 -5.2465 -5.2465 0.4369 0.4369 0.5730 0.5730 1.0669 1.0669 1.3365 1.3365 1.5828 1.5828 1.9167 1.9167 2.1606 2.1606 2.2262 2.2262 6.8550 6.8550 8.1777 8.1777 k = 0.0000 0.0293-0.0000 ( 4173 PWs) bands (ev): -8.6208 -8.6208 -8.3453 -8.3453 -6.0215 -6.0215 -5.9975 -5.9975 -5.9934 -5.9934 -5.9575 -5.9575 -5.3317 -5.3317 -5.3070 -5.3070 -5.3004 -5.3004 -5.2892 -5.2892 -5.2771 -5.2771 -5.2461 -5.2461 0.4321 0.4321 0.5882 0.5882 1.1170 1.1170 1.3167 1.3167 1.6032 1.6032 1.8741 1.8741 2.1606 2.1606 2.1903 2.1903 6.8522 6.8522 8.2612 8.2612 k = 0.0000 0.0147-0.0000 ( 4171 PWs) bands (ev): -8.6218 -8.6218 -8.3455 -8.3455 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9573 -5.9573 -5.3318 -5.3318 -5.3067 -5.3067 -5.3007 -5.3007 -5.2892 -5.2892 -5.2770 -5.2770 -5.2458 -5.2458 0.4293 0.4293 0.5974 0.5974 1.1550 1.1550 1.2979 1.2979 1.6200 1.6200 1.8437 1.8437 2.1517 2.1517 2.1766 2.1766 6.8505 6.8505 8.3269 8.3269 k = 0.0000 0.0000 0.0000 ( 4165 PWs) bands (ev): -8.6221 -8.6221 -8.3456 -8.3456 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9572 -5.9572 -5.3318 -5.3318 -5.3066 -5.3066 -5.3008 -5.3008 -5.2891 -5.2891 -5.2769 -5.2769 -5.2457 -5.2457 0.4283 0.4283 0.6006 0.6006 1.1706 1.1706 1.2889 1.2889 1.6269 1.6269 1.8323 1.8323 2.1456 2.1456 2.1749 2.1749 6.8499 6.8499 8.3545 8.3545 k = 0.0000 0.0000 0.0000 ( 4165 PWs) bands (ev): -8.6221 -8.6221 -8.3456 -8.3456 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9572 -5.9572 -5.3318 -5.3318 -5.3066 -5.3066 -5.3008 -5.3008 -5.2891 -5.2891 -5.2769 -5.2769 -5.2457 -5.2457 0.4283 0.4283 0.6006 0.6006 1.1706 1.1706 1.2889 1.2889 1.6269 1.6269 1.8323 1.8323 2.1456 2.1456 2.1749 2.1749 6.8499 6.8499 8.3545 8.3545 k = 0.0000 0.0000 0.0149 ( 4165 PWs) bands (ev): -8.6218 -8.6218 -8.3458 -8.3458 -6.0215 -6.0215 -5.9974 -5.9974 -5.9934 -5.9934 -5.9573 -5.9573 -5.3317 -5.3317 -5.3067 -5.3067 -5.3007 -5.3007 -5.2891 -5.2891 -5.2769 -5.2769 -5.2458 -5.2458 0.4263 0.4263 0.5998 0.5998 1.1713 1.1713 1.2910 1.2910 1.6225 1.6225 1.8317 1.8317 2.1482 2.1482 2.1802 2.1802 6.8485 6.8485 8.3558 8.3558 k = 0.0000 0.0000 0.0299 ( 4177 PWs) bands (ev): -8.6208 -8.6208 -8.3466 -8.3466 -6.0214 -6.0214 -5.9974 -5.9974 -5.9934 -5.9934 -5.9576 -5.9576 -5.3317 -5.3317 -5.3068 -5.3068 -5.3006 -5.3006 -5.2892 -5.2892 -5.2770 -5.2770 -5.2462 -5.2462 0.4204 0.4204 0.5973 0.5973 1.1732 1.1732 1.2973 1.2973 1.6098 1.6098 1.8298 1.8298 2.1552 2.1552 2.1961 2.1961 6.8443 6.8443 8.3595 8.3595 k = 0.0000 0.0000 0.0448 ( 4177 PWs) bands (ev): -8.6192 -8.6192 -8.3480 -8.3480 -6.0212 -6.0212 -5.9973 -5.9973 -5.9934 -5.9934 -5.9581 -5.9581 -5.3315 -5.3315 -5.3070 -5.3070 -5.3003 -5.3003 -5.2893 -5.2893 -5.2770 -5.2770 -5.2469 -5.2469 0.4109 0.4109 0.5932 0.5932 1.1764 1.1764 1.3072 1.3072 1.5907 1.5907 1.8265 1.8265 2.1657 2.1657 2.2221 2.2221 6.8374 6.8374 8.3656 8.3656 k = 0.0000 0.0000 0.0597 ( 4161 PWs) bands (ev): -8.6170 -8.6170 -8.3498 -8.3498 -6.0210 -6.0210 -5.9973 -5.9973 -5.9935 -5.9935 -5.9587 -5.9587 -5.3312 -5.3312 -5.3072 -5.3072 -5.3000 -5.3000 -5.2893 -5.2893 -5.2770 -5.2770 -5.2478 -5.2478 0.3985 0.3985 0.5875 0.5875 1.1808 1.1808 1.3199 1.3199 1.5674 1.5674 1.8218 1.8218 2.1796 2.1796 2.2562 2.2562 6.8283 6.8283 8.3740 8.3740 k = 0.0000 0.0000 0.0747 ( 4157 PWs) bands (ev): -8.6142 -8.6142 -8.3522 -8.3522 -6.0207 -6.0207 -5.9972 -5.9972 -5.9935 -5.9935 -5.9595 -5.9595 -5.3309 -5.3309 -5.3074 -5.3074 -5.2996 -5.2996 -5.2894 -5.2894 -5.2771 -5.2771 -5.2489 -5.2489 0.3837 0.3837 0.5800 0.5800 1.1865 1.1865 1.3344 1.3344 1.5420 1.5420 1.8156 1.8156 2.1972 2.1972 2.2960 2.2960 6.8173 6.8173 8.3844 8.3844 k = 0.0000 0.0000 0.0896 ( 4161 PWs) bands (ev): -8.6108 -8.6108 -8.3551 -8.3551 -6.0203 -6.0203 -5.9971 -5.9971 -5.9936 -5.9936 -5.9605 -5.9605 -5.3305 -5.3305 -5.3076 -5.3076 -5.2992 -5.2992 -5.2896 -5.2896 -5.2772 -5.2772 -5.2503 -5.2503 0.3674 0.3674 0.5707 0.5707 1.1933 1.1933 1.3498 1.3498 1.5160 1.5160 1.8079 1.8079 2.2189 2.2189 2.3399 2.3399 6.8049 6.8049 8.3967 8.3967 k = 0.0000 0.0000 0.1046 ( 4157 PWs) bands (ev): -8.6068 -8.6068 -8.3585 -8.3585 -6.0199 -6.0199 -5.9969 -5.9969 -5.9937 -5.9937 -5.9616 -5.9616 -5.3301 -5.3301 -5.3078 -5.3078 -5.2988 -5.2988 -5.2898 -5.2898 -5.2773 -5.2773 -5.2519 -5.2519 0.3501 0.3501 0.5597 0.5597 1.2014 1.2014 1.3651 1.3651 1.4907 1.4907 1.7989 1.7989 2.2447 2.2447 2.3864 2.3864 6.7916 6.7916 8.4106 8.4106 k = 0.0000 0.0000 0.1195 ( 4145 PWs) bands (ev): -8.6022 -8.6022 -8.3624 -8.3624 -6.0194 -6.0194 -5.9968 -5.9968 -5.9938 -5.9938 -5.9629 -5.9629 -5.3296 -5.3296 -5.3079 -5.3079 -5.2984 -5.2984 -5.2900 -5.2900 -5.2774 -5.2774 -5.2536 -5.2536 0.3325 0.3325 0.5469 0.5469 1.2105 1.2105 1.3793 1.3793 1.4672 1.4672 1.7885 1.7885 2.2746 2.2746 2.4342 2.4342 6.7781 6.7781 8.4253 8.4253 k = 0.0000 0.0000 0.1344 ( 4153 PWs) bands (ev): -8.5971 -8.5971 -8.3668 -8.3668 -6.0189 -6.0189 -5.9966 -5.9966 -5.9939 -5.9939 -5.9644 -5.9644 -5.3290 -5.3290 -5.3080 -5.3080 -5.2980 -5.2980 -5.2902 -5.2902 -5.2775 -5.2775 -5.2555 -5.2555 0.3151 0.3151 0.5324 0.5324 1.2207 1.2207 1.3916 1.3916 1.4464 1.4464 1.7768 1.7768 2.3085 2.3085 2.4826 2.4826 6.7650 6.7650 8.4398 8.4399 k = 0.0000 0.0000 0.1494 ( 4169 PWs) bands (ev): -8.5915 -8.5915 -8.3716 -8.3716 -6.0182 -6.0182 -5.9965 -5.9965 -5.9941 -5.9941 -5.9660 -5.9660 -5.3284 -5.3284 -5.3080 -5.3080 -5.2976 -5.2976 -5.2905 -5.2905 -5.2777 -5.2777 -5.2575 -5.2575 0.2985 0.2985 0.5163 0.5163 1.2318 1.2318 1.4003 1.4003 1.4300 1.4300 1.7639 1.7639 2.3461 2.3461 2.5306 2.5306 6.7530 6.7530 8.4501 8.4501 k = 0.0000 0.0000 0.1643 ( 4171 PWs) bands (ev): -8.5854 -8.5854 -8.3770 -8.3770 -6.0175 -6.0175 -5.9963 -5.9963 -5.9943 -5.9943 -5.9677 -5.9677 -5.3277 -5.3277 -5.3080 -5.3080 -5.2973 -5.2973 -5.2908 -5.2908 -5.2779 -5.2779 -5.2597 -5.2597 0.2828 0.2828 0.4988 0.4988 1.2438 1.2438 1.4003 1.4003 1.4229 1.4229 1.7498 1.7498 2.3869 2.3869 2.5777 2.5777 6.7426 6.7426 8.4376 8.4376 k = 0.0000 0.0000 0.1792 ( 4161 PWs) bands (ev): -8.5789 -8.5789 -8.3827 -8.3827 -6.0167 -6.0167 -5.9960 -5.9960 -5.9944 -5.9944 -5.9694 -5.9694 -5.3269 -5.3269 -5.3079 -5.3079 -5.2970 -5.2970 -5.2912 -5.2912 -5.2781 -5.2781 -5.2618 -5.2618 0.2686 0.2686 0.4800 0.4800 1.2565 1.2565 1.3919 1.3919 1.4251 1.4251 1.7346 1.7346 2.4303 2.4303 2.6232 2.6232 6.7346 6.7346 8.3585 8.3585 k = 0.0000 0.0000 0.1942 ( 4153 PWs) bands (ev): -8.5719 -8.5719 -8.3889 -8.3889 -6.0158 -6.0158 -5.9958 -5.9958 -5.9946 -5.9946 -5.9713 -5.9713 -5.3260 -5.3260 -5.3078 -5.3078 -5.2967 -5.2967 -5.2915 -5.2915 -5.2783 -5.2783 -5.2640 -5.2640 0.2560 0.2560 0.4602 0.4602 1.2697 1.2697 1.3837 1.3837 1.4282 1.4282 1.7185 1.7185 2.4755 2.4755 2.6665 2.6665 6.7297 6.7297 8.2380 8.2380 k = 0.0000 0.0000 0.2091 ( 4161 PWs) bands (ev): -8.5645 -8.5645 -8.3955 -8.3955 -6.0148 -6.0148 -5.9956 -5.9956 -5.9948 -5.9948 -5.9732 -5.9732 -5.3251 -5.3251 -5.3077 -5.3077 -5.2965 -5.2965 -5.2920 -5.2920 -5.2785 -5.2785 -5.2661 -5.2661 0.2452 0.2452 0.4396 0.4396 1.2831 1.2831 1.3781 1.3781 1.4299 1.4299 1.7014 1.7014 2.5218 2.5218 2.7071 2.7071 6.7285 6.7285 8.1089 8.1089 k = 0.0000 0.0000 0.2240 ( 4161 PWs) bands (ev): -8.5568 -8.5568 -8.4025 -8.4025 -6.0138 -6.0138 -5.9956 -5.9956 -5.9949 -5.9949 -5.9751 -5.9751 -5.3240 -5.3240 -5.3075 -5.3075 -5.2964 -5.2964 -5.2925 -5.2925 -5.2787 -5.2787 -5.2682 -5.2682 0.2365 0.2365 0.4187 0.4187 1.2962 1.2962 1.3760 1.3760 1.4298 1.4298 1.6835 1.6835 2.5684 2.5684 2.7445 2.7445 6.7317 6.7317 7.9796 7.9796 k = 0.0000 0.0000 0.2390 ( 4163 PWs) bands (ev): -8.5487 -8.5487 -8.4098 -8.4098 -6.0126 -6.0126 -5.9958 -5.9958 -5.9947 -5.9947 -5.9771 -5.9771 -5.3229 -5.3229 -5.3074 -5.3074 -5.2963 -5.2963 -5.2931 -5.2931 -5.2790 -5.2790 -5.2702 -5.2702 0.2298 0.2298 0.3975 0.3975 1.3085 1.3085 1.3777 1.3777 1.4281 1.4281 1.6649 1.6649 2.6143 2.6143 2.7782 2.7782 6.7398 6.7398 7.8527 7.8527 k = 0.0000 0.0000 0.2539 ( 4169 PWs) bands (ev): -8.5404 -8.5404 -8.4175 -8.4175 -6.0114 -6.0114 -5.9962 -5.9962 -5.9944 -5.9944 -5.9790 -5.9790 -5.3217 -5.3217 -5.3073 -5.3073 -5.2962 -5.2962 -5.2937 -5.2937 -5.2792 -5.2792 -5.2720 -5.2720 0.2254 0.2254 0.3766 0.3766 1.3194 1.3194 1.3836 1.3836 1.4250 1.4250 1.6456 1.6456 2.6588 2.6588 2.8077 2.8077 6.7536 6.7536 7.7299 7.7299 k = 0.0000 0.0000 0.2688 ( 4175 PWs) bands (ev): -8.5319 -8.5319 -8.4255 -8.4255 -6.0101 -6.0101 -5.9967 -5.9967 -5.9940 -5.9940 -5.9810 -5.9810 -5.3205 -5.3205 -5.3073 -5.3073 -5.2963 -5.2963 -5.2944 -5.2944 -5.2793 -5.2793 -5.2736 -5.2736 0.2232 0.2232 0.3561 0.3561 1.3287 1.3287 1.3933 1.3933 1.4209 1.4209 1.6258 1.6258 2.7010 2.7010 2.8326 2.8326 6.7736 6.7736 7.6122 7.6122 k = 0.0000 0.0000 0.2838 ( 4159 PWs) bands (ev): -8.5231 -8.5231 -8.4337 -8.4337 -6.0088 -6.0088 -5.9972 -5.9972 -5.9935 -5.9935 -5.9828 -5.9828 -5.3191 -5.3191 -5.3075 -5.3075 -5.2963 -5.2963 -5.2950 -5.2950 -5.2794 -5.2794 -5.2749 -5.2749 0.2232 0.2232 0.3363 0.3363 1.3369 1.3369 1.4043 1.4043 1.4178 1.4178 1.6056 1.6056 2.7401 2.7401 2.8525 2.8525 6.8004 6.8004 7.5004 7.5004 k = 0.0000 0.0000 0.2987 ( 4151 PWs) bands (ev): -8.5142 -8.5142 -8.4422 -8.4422 -6.0074 -6.0074 -5.9979 -5.9979 -5.9930 -5.9930 -5.9845 -5.9845 -5.3176 -5.3176 -5.3078 -5.3078 -5.2964 -5.2964 -5.2955 -5.2955 -5.2795 -5.2795 -5.2761 -5.2761 0.2255 0.2255 0.3175 0.3175 1.3445 1.3445 1.4051 1.4051 1.4266 1.4266 1.5850 1.5850 2.7754 2.7754 2.8671 2.8671 6.8344 6.8344 7.3951 7.3951 k = 0.0000 0.0000 0.3137 ( 4147 PWs) bands (ev): -8.5051 -8.5051 -8.4509 -8.4509 -6.0060 -6.0060 -5.9987 -5.9987 -5.9924 -5.9924 -5.9861 -5.9861 -5.3161 -5.3161 -5.3085 -5.3085 -5.2965 -5.2965 -5.2959 -5.2959 -5.2795 -5.2795 -5.2770 -5.2770 0.2301 0.2301 0.3000 0.3000 1.3520 1.3520 1.3989 1.3989 1.4433 1.4433 1.5643 1.5643 2.8063 2.8063 2.8761 2.8761 6.8760 6.8760 7.2970 7.2970 k = 0.0000 0.0000 0.3286 ( 4141 PWs) bands (ev): -8.4960 -8.4960 -8.4597 -8.4597 -6.0046 -6.0046 -5.9997 -5.9997 -5.9917 -5.9917 -5.9875 -5.9875 -5.3146 -5.3146 -5.3093 -5.3093 -5.2966 -5.2966 -5.2963 -5.2963 -5.2794 -5.2794 -5.2778 -5.2778 0.2368 0.2368 0.2838 0.2838 1.3597 1.3597 1.3915 1.3915 1.4620 1.4620 1.5434 1.5434 2.8322 2.8322 2.8792 2.8792 6.9256 6.9256 7.2065 7.2065 k = 0.0000 0.0000 0.3435 ( 4136 PWs) bands (ev): -8.4869 -8.4869 -8.4687 -8.4687 -6.0032 -6.0032 -6.0007 -6.0007 -5.9909 -5.9909 -5.9888 -5.9888 -5.3131 -5.3131 -5.3104 -5.3104 -5.2967 -5.2967 -5.2965 -5.2965 -5.2792 -5.2792 -5.2784 -5.2784 0.2457 0.2457 0.2693 0.2693 1.3676 1.3676 1.3836 1.3836 1.4817 1.4817 1.5226 1.5226 2.8527 2.8527 2.8763 2.8763 6.9834 6.9834 7.1239 7.1239 k = 0.0000 0.0000 0.3585 ( 4136 PWs) bands (ev): -8.4778 -8.4778 -8.4778 -8.4778 -6.0019 -6.0019 -6.0019 -6.0019 -5.9899 -5.9899 -5.9899 -5.9899 -5.3117 -5.3117 -5.3117 -5.3117 -5.2966 -5.2966 -5.2966 -5.2966 -5.2789 -5.2789 -5.2789 -5.2789 0.2565 0.2565 0.2565 0.2565 1.3756 1.3756 1.3756 1.3756 1.5020 1.5020 1.5020 1.5020 2.8674 2.8674 2.8674 2.8674 7.0495 7.0495 7.0495 7.0495 k = 0.0000 0.0000 0.3585 ( 4136 PWs) bands (ev): -8.4778 -8.4778 -8.4778 -8.4778 -6.0019 -6.0019 -6.0019 -6.0019 -5.9899 -5.9899 -5.9899 -5.9899 -5.3117 -5.3117 -5.3117 -5.3117 -5.2966 -5.2966 -5.2966 -5.2966 -5.2789 -5.2789 -5.2789 -5.2789 0.2565 0.2565 0.2565 0.2565 1.3756 1.3756 1.3756 1.3756 1.5020 1.5020 1.5020 1.5020 2.8674 2.8674 2.8674 2.8674 7.0495 7.0495 7.0495 7.0495 k = 0.0147-0.0000 0.3585 ( 4140 PWs) bands (ev): -8.4776 -8.4776 -8.4776 -8.4776 -6.0020 -6.0020 -6.0020 -6.0020 -5.9899 -5.9899 -5.9899 -5.9899 -5.3118 -5.3118 -5.3118 -5.3118 -5.2966 -5.2966 -5.2966 -5.2966 -5.2789 -5.2789 -5.2789 -5.2789 0.2535 0.2535 0.2535 0.2535 1.3769 1.3769 1.3769 1.3769 1.5027 1.5027 1.5027 1.5027 2.8702 2.8702 2.8702 2.8702 7.0489 7.0489 7.0489 7.0489 k = 0.0294-0.0000 0.3585 ( 4138 PWs) bands (ev): -8.4769 -8.4769 -8.4769 -8.4769 -6.0021 -6.0021 -6.0021 -6.0021 -5.9899 -5.9899 -5.9899 -5.9899 -5.3119 -5.3119 -5.3119 -5.3119 -5.2966 -5.2966 -5.2966 -5.2966 -5.2789 -5.2789 -5.2789 -5.2789 0.2444 0.2444 0.2444 0.2444 1.3806 1.3806 1.3806 1.3806 1.5049 1.5049 1.5049 1.5049 2.8785 2.8785 2.8785 2.8785 7.0472 7.0472 7.0472 7.0472 k = 0.0441-0.0000 0.3585 ( 4142 PWs) bands (ev): -8.4759 -8.4759 -8.4759 -8.4759 -6.0023 -6.0023 -6.0023 -6.0023 -5.9899 -5.9899 -5.9899 -5.9899 -5.3121 -5.3121 -5.3121 -5.3121 -5.2967 -5.2967 -5.2967 -5.2967 -5.2790 -5.2790 -5.2790 -5.2790 0.2296 0.2296 0.2296 0.2296 1.3868 1.3868 1.3868 1.3868 1.5086 1.5086 1.5086 1.5086 2.8922 2.8922 2.8922 2.8922 7.0441 7.0441 7.0441 7.0441 k = 0.0588-0.0000 0.3585 ( 4150 PWs) bands (ev): -8.4745 -8.4745 -8.4745 -8.4745 -6.0025 -6.0025 -6.0025 -6.0025 -5.9899 -5.9899 -5.9899 -5.9899 -5.3125 -5.3125 -5.3125 -5.3125 -5.2967 -5.2967 -5.2967 -5.2967 -5.2791 -5.2791 -5.2791 -5.2791 0.2094 0.2094 0.2094 0.2094 1.3950 1.3950 1.3950 1.3950 1.5137 1.5137 1.5137 1.5137 2.9110 2.9110 2.9110 2.9110 7.0397 7.0397 7.0397 7.0397 k = 0.0735-0.0000 0.3585 ( 4152 PWs) bands (ev): -8.4727 -8.4727 -8.4727 -8.4727 -6.0029 -6.0029 -6.0029 -6.0029 -5.9899 -5.9899 -5.9899 -5.9899 -5.3129 -5.3129 -5.3129 -5.3129 -5.2967 -5.2967 -5.2967 -5.2967 -5.2792 -5.2792 -5.2792 -5.2792 0.1843 0.1843 0.1843 0.1843 1.4051 1.4051 1.4051 1.4051 1.5201 1.5201 1.5201 1.5201 2.9349 2.9349 2.9349 2.9349 7.0336 7.0336 7.0336 7.0336 k = 0.0882-0.0000 0.3585 ( 4156 PWs) bands (ev): -8.4705 -8.4705 -8.4705 -8.4705 -6.0033 -6.0033 -6.0033 -6.0033 -5.9899 -5.9899 -5.9899 -5.9899 -5.3134 -5.3134 -5.3134 -5.3134 -5.2967 -5.2967 -5.2967 -5.2967 -5.2794 -5.2794 -5.2794 -5.2794 0.1550 0.1550 0.1550 0.1550 1.4168 1.4168 1.4168 1.4168 1.5279 1.5279 1.5279 1.5279 2.9634 2.9634 2.9634 2.9634 7.0258 7.0258 7.0258 7.0258 k = 0.1029-0.0000 0.3585 ( 4152 PWs) bands (ev): -8.4679 -8.4679 -8.4679 -8.4679 -6.0037 -6.0037 -6.0037 -6.0037 -5.9899 -5.9899 -5.9899 -5.9899 -5.3140 -5.3140 -5.3140 -5.3140 -5.2967 -5.2967 -5.2967 -5.2967 -5.2796 -5.2796 -5.2796 -5.2796 0.1220 0.1220 0.1220 0.1220 1.4297 1.4297 1.4297 1.4297 1.5370 1.5370 1.5370 1.5370 2.9962 2.9962 2.9962 2.9962 7.0158 7.0158 7.0158 7.0158 k = 0.1176-0.0000 0.3585 ( 4156 PWs) bands (ev): -8.4650 -8.4650 -8.4650 -8.4650 -6.0042 -6.0042 -6.0042 -6.0042 -5.9899 -5.9899 -5.9899 -5.9899 -5.3147 -5.3147 -5.3147 -5.3147 -5.2967 -5.2967 -5.2967 -5.2967 -5.2798 -5.2798 -5.2798 -5.2798 0.0860 0.0860 0.0860 0.0860 1.4436 1.4436 1.4436 1.4436 1.5474 1.5474 1.5474 1.5474 3.0329 3.0329 3.0329 3.0329 7.0035 7.0035 7.0035 7.0035 k = 0.1324-0.0000 0.3585 ( 4162 PWs) bands (ev): -8.4618 -8.4618 -8.4618 -8.4618 -6.0048 -6.0048 -6.0048 -6.0048 -5.9899 -5.9899 -5.9899 -5.9899 -5.3154 -5.3154 -5.3154 -5.3154 -5.2967 -5.2967 -5.2967 -5.2967 -5.2800 -5.2800 -5.2800 -5.2800 0.0475 0.0475 0.0475 0.0475 1.4583 1.4583 1.4583 1.4583 1.5588 1.5588 1.5588 1.5588 3.0732 3.0732 3.0732 3.0732 6.9886 6.9886 6.9886 6.9886 k = 0.1471-0.0000 0.3585 ( 4164 PWs) bands (ev): -8.4583 -8.4583 -8.4583 -8.4583 -6.0054 -6.0054 -6.0054 -6.0054 -5.9900 -5.9900 -5.9900 -5.9900 -5.3163 -5.3163 -5.3163 -5.3163 -5.2967 -5.2967 -5.2967 -5.2967 -5.2802 -5.2802 -5.2802 -5.2802 0.0071 0.0071 0.0071 0.0071 1.4736 1.4736 1.4736 1.4736 1.5713 1.5713 1.5713 1.5713 3.1167 3.1167 3.1167 3.1167 6.9706 6.9706 6.9706 6.9706 k = 0.1618-0.0000 0.3585 ( 4160 PWs) bands (ev): -8.4546 -8.4546 -8.4546 -8.4546 -6.0061 -6.0061 -6.0061 -6.0061 -5.9900 -5.9900 -5.9900 -5.9900 -5.3172 -5.3172 -5.3172 -5.3172 -5.2967 -5.2967 -5.2967 -5.2967 -5.2804 -5.2804 -5.2804 -5.2804 -0.0347 -0.0347 -0.0347 -0.0347 1.4893 1.4893 1.4893 1.4893 1.5848 1.5848 1.5848 1.5848 3.1628 3.1628 3.1628 3.1628 6.9495 6.9495 6.9495 6.9495 k = 0.1765-0.0000 0.3585 ( 4160 PWs) bands (ev): -8.4506 -8.4506 -8.4506 -8.4506 -6.0068 -6.0068 -6.0068 -6.0068 -5.9900 -5.9900 -5.9900 -5.9900 -5.3182 -5.3182 -5.3182 -5.3182 -5.2967 -5.2967 -5.2967 -5.2967 -5.2807 -5.2807 -5.2807 -5.2807 -0.0774 -0.0774 -0.0774 -0.0774 1.5053 1.5053 1.5053 1.5053 1.5992 1.5992 1.5992 1.5992 3.2113 3.2113 3.2113 3.2113 6.9248 6.9248 6.9248 6.9248 k = 0.1912-0.0000 0.3585 ( 4170 PWs) bands (ev): -8.4464 -8.4464 -8.4464 -8.4464 -6.0075 -6.0075 -6.0075 -6.0075 -5.9901 -5.9901 -5.9901 -5.9901 -5.3193 -5.3193 -5.3193 -5.3193 -5.2966 -5.2966 -5.2966 -5.2966 -5.2809 -5.2809 -5.2809 -5.2809 -0.1206 -0.1206 -0.1206 -0.1206 1.5214 1.5214 1.5214 1.5214 1.6144 1.6144 1.6144 1.6144 3.2618 3.2618 3.2618 3.2618 6.8965 6.8965 6.8965 6.8965 k = 0.2059-0.0000 0.3585 ( 4170 PWs) bands (ev): -8.4420 -8.4420 -8.4420 -8.4420 -6.0083 -6.0083 -6.0083 -6.0083 -5.9902 -5.9902 -5.9902 -5.9902 -5.3204 -5.3204 -5.3204 -5.3204 -5.2966 -5.2966 -5.2966 -5.2966 -5.2812 -5.2812 -5.2812 -5.2812 -0.1639 -0.1639 -0.1639 -0.1639 1.5375 1.5375 1.5375 1.5375 1.6302 1.6302 1.6302 1.6302 3.3137 3.3137 3.3137 3.3137 6.8645 6.8645 6.8645 6.8645 k = 0.2206-0.0000 0.3585 ( 4172 PWs) bands (ev): -8.4375 -8.4375 -8.4375 -8.4375 -6.0091 -6.0091 -6.0091 -6.0091 -5.9903 -5.9903 -5.9903 -5.9903 -5.3216 -5.3216 -5.3216 -5.3216 -5.2966 -5.2966 -5.2966 -5.2966 -5.2814 -5.2814 -5.2814 -5.2814 -0.2069 -0.2069 -0.2069 -0.2069 1.5536 1.5536 1.5536 1.5536 1.6467 1.6467 1.6467 1.6467 3.3669 3.3669 3.3669 3.3669 6.8288 6.8288 6.8288 6.8288 k = 0.2353-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.4329 -8.4329 -8.4329 -8.4329 -6.0098 -6.0098 -6.0098 -6.0098 -5.9903 -5.9903 -5.9903 -5.9903 -5.3227 -5.3227 -5.3227 -5.3227 -5.2966 -5.2966 -5.2966 -5.2966 -5.2816 -5.2816 -5.2816 -5.2816 -0.2493 -0.2493 -0.2493 -0.2493 1.5695 1.5695 1.5695 1.5695 1.6636 1.6636 1.6636 1.6636 3.4208 3.4208 3.4208 3.4208 6.7895 6.7895 6.7895 6.7895 k = 0.2500-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.4283 -8.4283 -8.4283 -8.4283 -6.0106 -6.0106 -6.0106 -6.0106 -5.9904 -5.9904 -5.9904 -5.9904 -5.3239 -5.3239 -5.3239 -5.3239 -5.2967 -5.2967 -5.2967 -5.2967 -5.2818 -5.2818 -5.2818 -5.2818 -0.2908 -0.2908 -0.2908 -0.2908 1.5852 1.5852 1.5852 1.5852 1.6808 1.6808 1.6808 1.6808 3.4752 3.4752 3.4752 3.4752 6.7470 6.7470 6.7470 6.7470 k = 0.2647-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.4236 -8.4236 -8.4236 -8.4236 -6.0115 -6.0115 -6.0115 -6.0115 -5.9905 -5.9905 -5.9905 -5.9905 -5.3251 -5.3251 -5.3251 -5.3251 -5.2967 -5.2967 -5.2967 -5.2967 -5.2819 -5.2819 -5.2819 -5.2819 -0.3312 -0.3312 -0.3312 -0.3312 1.6006 1.6006 1.6006 1.6006 1.6982 1.6982 1.6982 1.6982 3.5297 3.5297 3.5297 3.5297 6.7017 6.7017 6.7017 6.7017 k = 0.2794-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.4190 -8.4190 -8.4190 -8.4190 -6.0123 -6.0123 -6.0123 -6.0123 -5.9906 -5.9906 -5.9906 -5.9906 -5.3263 -5.3263 -5.3263 -5.3263 -5.2968 -5.2968 -5.2968 -5.2968 -5.2821 -5.2821 -5.2821 -5.2821 -0.3701 -0.3701 -0.3701 -0.3701 1.6155 1.6155 1.6155 1.6155 1.7157 1.7157 1.7157 1.7157 3.5839 3.5839 3.5839 3.5839 6.6540 6.6540 6.6540 6.6540 k = 0.2941-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.4144 -8.4144 -8.4144 -8.4144 -6.0131 -6.0131 -6.0131 -6.0131 -5.9908 -5.9908 -5.9908 -5.9908 -5.3275 -5.3275 -5.3275 -5.3275 -5.2969 -5.2969 -5.2969 -5.2969 -5.2821 -5.2821 -5.2821 -5.2821 -0.4074 -0.4074 -0.4074 -0.4074 1.6300 1.6300 1.6300 1.6300 1.7331 1.7331 1.7331 1.7331 3.6376 3.6376 3.6376 3.6376 6.6046 6.6046 6.6046 6.6046 k = 0.3088-0.0000 0.3585 ( 4190 PWs) bands (ev): -8.4099 -8.4099 -8.4099 -8.4099 -6.0138 -6.0138 -6.0138 -6.0138 -5.9909 -5.9909 -5.9909 -5.9909 -5.3286 -5.3286 -5.3286 -5.3286 -5.2971 -5.2971 -5.2971 -5.2971 -5.2822 -5.2822 -5.2822 -5.2822 -0.4430 -0.4430 -0.4430 -0.4430 1.6440 1.6440 1.6440 1.6440 1.7503 1.7503 1.7503 1.7503 3.6903 3.6903 3.6903 3.6903 6.5541 6.5541 6.5541 6.5541 k = 0.3235-0.0000 0.3585 ( 4190 PWs) bands (ev): -8.4056 -8.4056 -8.4056 -8.4056 -6.0146 -6.0146 -6.0146 -6.0146 -5.9910 -5.9910 -5.9910 -5.9910 -5.3297 -5.3297 -5.3297 -5.3297 -5.2973 -5.2973 -5.2973 -5.2973 -5.2822 -5.2822 -5.2822 -5.2822 -0.4765 -0.4765 -0.4765 -0.4765 1.6573 1.6573 1.6573 1.6573 1.7670 1.7670 1.7670 1.7670 3.7418 3.7418 3.7418 3.7418 6.5032 6.5032 6.5032 6.5032 k = 0.3382-0.0000 0.3585 ( 4188 PWs) bands (ev): -8.4014 -8.4014 -8.4014 -8.4014 -6.0153 -6.0153 -6.0153 -6.0153 -5.9911 -5.9911 -5.9911 -5.9911 -5.3308 -5.3308 -5.3308 -5.3308 -5.2975 -5.2975 -5.2975 -5.2975 -5.2822 -5.2822 -5.2822 -5.2822 -0.5079 -0.5079 -0.5079 -0.5079 1.6700 1.6700 1.6700 1.6700 1.7832 1.7832 1.7832 1.7832 3.7915 3.7915 3.7915 3.7915 6.4527 6.4527 6.4527 6.4527 k = 0.3529-0.0000 0.3585 ( 4172 PWs) bands (ev): -8.3975 -8.3975 -8.3975 -8.3975 -6.0160 -6.0160 -6.0160 -6.0160 -5.9912 -5.9912 -5.9912 -5.9912 -5.3318 -5.3318 -5.3318 -5.3318 -5.2977 -5.2977 -5.2977 -5.2977 -5.2821 -5.2821 -5.2821 -5.2821 -0.5370 -0.5370 -0.5370 -0.5370 1.6818 1.6818 1.6818 1.6818 1.7987 1.7987 1.7987 1.7987 3.8392 3.8392 3.8392 3.8392 6.4032 6.4032 6.4032 6.4032 k = 0.3676-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3938 -8.3938 -8.3938 -8.3938 -6.0166 -6.0166 -6.0166 -6.0166 -5.9913 -5.9913 -5.9913 -5.9913 -5.3328 -5.3328 -5.3328 -5.3328 -5.2979 -5.2979 -5.2979 -5.2979 -5.2820 -5.2820 -5.2820 -5.2820 -0.5637 -0.5637 -0.5637 -0.5637 1.6928 1.6928 1.6928 1.6928 1.8132 1.8132 1.8132 1.8132 3.8845 3.8845 3.8845 3.8845 6.3554 6.3554 6.3554 6.3554 k = 0.3824-0.0000 0.3585 ( 4182 PWs) bands (ev): -8.3904 -8.3904 -8.3904 -8.3904 -6.0172 -6.0172 -6.0172 -6.0172 -5.9914 -5.9914 -5.9914 -5.9914 -5.3336 -5.3336 -5.3336 -5.3336 -5.2981 -5.2981 -5.2981 -5.2981 -5.2820 -5.2820 -5.2820 -5.2820 -0.5879 -0.5879 -0.5879 -0.5879 1.7029 1.7029 1.7029 1.7029 1.8268 1.8268 1.8268 1.8268 3.9268 3.9268 3.9268 3.9268 6.3102 6.3102 6.3102 6.3102 k = 0.3971-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.3874 -8.3874 -8.3874 -8.3874 -6.0178 -6.0178 -6.0178 -6.0178 -5.9915 -5.9915 -5.9915 -5.9915 -5.3344 -5.3344 -5.3344 -5.3344 -5.2983 -5.2983 -5.2983 -5.2983 -5.2819 -5.2819 -5.2819 -5.2819 -0.6095 -0.6095 -0.6095 -0.6095 1.7120 1.7120 1.7120 1.7120 1.8391 1.8391 1.8391 1.8391 3.9658 3.9658 3.9658 3.9658 6.2681 6.2681 6.2681 6.2681 k = 0.4118-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.3846 -8.3846 -8.3846 -8.3846 -6.0182 -6.0182 -6.0182 -6.0182 -5.9916 -5.9916 -5.9916 -5.9916 -5.3351 -5.3351 -5.3351 -5.3351 -5.2986 -5.2986 -5.2986 -5.2986 -5.2818 -5.2818 -5.2818 -5.2818 -0.6283 -0.6283 -0.6283 -0.6283 1.7200 1.7200 1.7200 1.7200 1.8501 1.8501 1.8501 1.8501 4.0009 4.0009 4.0009 4.0009 6.2299 6.2299 6.2299 6.2299 k = 0.4265-0.0000 0.3585 ( 4172 PWs) bands (ev): -8.3823 -8.3823 -8.3823 -8.3823 -6.0187 -6.0187 -6.0187 -6.0187 -5.9917 -5.9917 -5.9917 -5.9917 -5.3357 -5.3357 -5.3357 -5.3357 -5.2987 -5.2987 -5.2987 -5.2987 -5.2817 -5.2817 -5.2817 -5.2817 -0.6444 -0.6444 -0.6444 -0.6444 1.7269 1.7269 1.7269 1.7269 1.8596 1.8596 1.8596 1.8596 4.0317 4.0317 4.0317 4.0317 6.1963 6.1963 6.1963 6.1963 k = 0.4412-0.0000 0.3585 ( 4172 PWs) bands (ev): -8.3803 -8.3803 -8.3803 -8.3803 -6.0190 -6.0190 -6.0190 -6.0190 -5.9917 -5.9917 -5.9917 -5.9917 -5.3362 -5.3362 -5.3362 -5.3362 -5.2989 -5.2989 -5.2989 -5.2989 -5.2816 -5.2816 -5.2816 -5.2816 -0.6576 -0.6576 -0.6576 -0.6576 1.7327 1.7327 1.7327 1.7327 1.8676 1.8676 1.8676 1.8676 4.0576 4.0576 4.0576 4.0576 6.1677 6.1677 6.1677 6.1677 k = 0.4559-0.0000 0.3585 ( 4178 PWs) bands (ev): -8.3788 -8.3788 -8.3788 -8.3788 -6.0193 -6.0193 -6.0193 -6.0193 -5.9918 -5.9918 -5.9918 -5.9918 -5.3366 -5.3366 -5.3366 -5.3366 -5.2990 -5.2990 -5.2990 -5.2990 -5.2815 -5.2815 -5.2815 -5.2815 -0.6680 -0.6680 -0.6680 -0.6680 1.7372 1.7372 1.7372 1.7372 1.8739 1.8739 1.8739 1.8739 4.0784 4.0784 4.0784 4.0784 6.1449 6.1449 6.1449 6.1449 k = 0.4706-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3777 -8.3777 -8.3777 -8.3777 -6.0195 -6.0195 -6.0195 -6.0195 -5.9918 -5.9918 -5.9918 -5.9918 -5.3369 -5.3369 -5.3369 -5.3369 -5.2991 -5.2991 -5.2991 -5.2991 -5.2815 -5.2815 -5.2815 -5.2815 -0.6754 -0.6754 -0.6754 -0.6754 1.7404 1.7404 1.7404 1.7404 1.8784 1.8784 1.8784 1.8784 4.0935 4.0935 4.0935 4.0935 6.1282 6.1282 6.1282 6.1282 k = 0.4853-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3770 -8.3770 -8.3770 -8.3770 -6.0196 -6.0196 -6.0196 -6.0196 -5.9919 -5.9919 -5.9919 -5.9919 -5.3371 -5.3371 -5.3371 -5.3371 -5.2992 -5.2992 -5.2992 -5.2992 -5.2815 -5.2815 -5.2815 -5.2815 -0.6799 -0.6799 -0.6799 -0.6799 1.7424 1.7424 1.7424 1.7424 1.8812 1.8812 1.8812 1.8812 4.1027 4.1027 4.1027 4.1027 6.1181 6.1181 6.1181 6.1181 k = 0.5000-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0196 -6.0196 -6.0196 -6.0196 -5.9919 -5.9919 -5.9919 -5.9919 -5.3371 -5.3371 -5.3371 -5.3371 -5.2992 -5.2992 -5.2992 -5.2992 -5.2814 -5.2814 -5.2814 -5.2814 -0.6813 -0.6813 -0.6813 -0.6813 1.7430 1.7430 1.7430 1.7430 1.8821 1.8821 1.8821 1.8821 4.1058 4.1058 4.1058 4.1058 6.1146 6.1146 6.1146 6.1146 k = 0.5000-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0196 -6.0196 -6.0196 -6.0196 -5.9919 -5.9919 -5.9919 -5.9919 -5.3371 -5.3371 -5.3371 -5.3371 -5.2992 -5.2992 -5.2992 -5.2992 -5.2814 -5.2814 -5.2814 -5.2814 -0.6813 -0.6813 -0.6813 -0.6813 1.7430 1.7430 1.7430 1.7430 1.8821 1.8821 1.8821 1.8821 4.1058 4.1058 4.1058 4.1058 6.1146 6.1146 6.1146 6.1146 k = 0.5000 0.0147 0.3585 ( 4176 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0199 -6.0199 -6.0193 -6.0193 -5.9922 -5.9922 -5.9914 -5.9914 -5.3374 -5.3374 -5.3367 -5.3367 -5.2993 -5.2993 -5.2990 -5.2990 -5.2818 -5.2818 -5.2809 -5.2809 -0.6802 -0.6802 -0.6801 -0.6801 1.7327 1.7327 1.7395 1.7395 1.8818 1.8818 1.8899 1.8899 4.1001 4.1001 4.1037 4.1037 6.1123 6.1123 6.1217 6.1217 k = 0.5000 0.0293 0.3585 ( 4180 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0201 -6.0201 -6.0189 -6.0189 -5.9922 -5.9922 -5.9907 -5.9907 -5.3376 -5.3376 -5.3361 -5.3361 -5.2994 -5.2994 -5.2988 -5.2988 -5.2820 -5.2820 -5.2802 -5.2802 -0.6766 -0.6766 -0.6765 -0.6765 1.7117 1.7117 1.7228 1.7228 1.8883 1.8883 1.9020 1.9020 4.0868 4.0868 4.0939 4.0939 6.1149 6.1149 6.1333 6.1333 k = 0.5000 0.0440 0.3585 ( 4180 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0202 -6.0202 -6.0184 -6.0184 -5.9921 -5.9921 -5.9899 -5.9899 -5.3376 -5.3376 -5.3353 -5.3353 -5.2993 -5.2993 -5.2985 -5.2985 -5.2820 -5.2820 -5.2794 -5.2794 -0.6705 -0.6705 -0.6704 -0.6704 1.6833 1.6833 1.6965 1.6965 1.8982 1.8982 1.9153 1.9153 4.0661 4.0661 4.0763 4.0763 6.1226 6.1226 6.1494 6.1494 k = 0.5000 0.0586 0.3585 ( 4168 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0203 -6.0203 -6.0179 -6.0179 -5.9917 -5.9917 -5.9888 -5.9888 -5.3374 -5.3374 -5.3344 -5.3344 -5.2991 -5.2991 -5.2982 -5.2982 -5.2817 -5.2817 -5.2784 -5.2784 -0.6621 -0.6621 -0.6619 -0.6619 1.6497 1.6497 1.6635 1.6635 1.9086 1.9086 1.9276 1.9276 4.0383 4.0383 4.0513 4.0513 6.1355 6.1355 6.1698 6.1698 k = 0.5000 0.0733 0.3585 ( 4168 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0202 -6.0202 -6.0174 -6.0174 -5.9911 -5.9911 -5.9876 -5.9876 -5.3372 -5.3372 -5.3333 -5.3333 -5.2988 -5.2988 -5.2980 -5.2980 -5.2812 -5.2812 -5.2773 -5.2773 -0.6513 -0.6513 -0.6510 -0.6510 1.6121 1.6121 1.6259 1.6259 1.9179 1.9179 1.9380 1.9380 4.0039 4.0039 4.0192 4.0192 6.1537 6.1537 6.1944 6.1944 k = 0.5000 0.0880 0.3585 ( 4168 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0201 -6.0201 -6.0169 -6.0169 -5.9902 -5.9902 -5.9862 -5.9862 -5.3369 -5.3369 -5.3322 -5.3322 -5.2984 -5.2984 -5.2977 -5.2977 -5.2804 -5.2804 -5.2760 -5.2760 -0.6380 -0.6380 -0.6377 -0.6377 1.5713 1.5713 1.5847 1.5847 1.9252 1.9252 1.9459 1.9459 3.9632 3.9632 3.9804 3.9804 6.1769 6.1769 6.2230 6.2230 k = 0.5000 0.1026 0.3585 ( 4172 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0200 -6.0200 -6.0164 -6.0164 -5.9891 -5.9891 -5.9846 -5.9846 -5.3364 -5.3364 -5.3310 -5.3310 -5.2978 -5.2978 -5.2975 -5.2975 -5.2794 -5.2794 -5.2747 -5.2747 -0.6224 -0.6224 -0.6220 -0.6220 1.5278 1.5278 1.5407 1.5407 1.9300 1.9300 1.9510 1.9510 3.9171 3.9171 3.9356 3.9356 6.2050 6.2050 6.2553 6.2553 k = 0.5000 0.1173 0.3585 ( 4172 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0198 -6.0198 -6.0160 -6.0160 -5.9877 -5.9877 -5.9829 -5.9829 -5.3360 -5.3360 -5.3298 -5.3298 -5.2972 -5.2972 -5.2971 -5.2971 -5.2781 -5.2781 -5.2732 -5.2732 -0.6043 -0.6043 -0.6040 -0.6040 1.4822 1.4822 1.4944 1.4944 1.9321 1.9321 1.9532 1.9532 3.8661 3.8661 3.8856 3.8856 6.2376 6.2376 6.2909 6.2909 k = 0.5000 0.1319 0.3585 ( 4168 PWs) bands (ev): -8.3769 -8.3769 -8.3769 -8.3769 -6.0195 -6.0195 -6.0156 -6.0156 -5.9861 -5.9861 -5.9810 -5.9810 -5.3354 -5.3354 -5.3285 -5.3285 -5.2969 -5.2969 -5.2962 -5.2962 -5.2765 -5.2765 -5.2715 -5.2715 -0.5839 -0.5839 -0.5835 -0.5835 1.4348 1.4348 1.4462 1.4462 1.9312 1.9312 1.9522 1.9522 3.8111 3.8111 3.8311 3.8311 6.2742 6.2742 6.3295 6.3295 k = 0.5000 0.1466 0.3585 ( 4172 PWs) bands (ev): -8.3769 -8.3769 -8.3769 -8.3769 -6.0193 -6.0193 -6.0152 -6.0152 -5.9843 -5.9843 -5.9790 -5.9790 -5.3349 -5.3349 -5.3272 -5.3272 -5.2966 -5.2966 -5.2953 -5.2953 -5.2747 -5.2747 -5.2697 -5.2697 -0.5611 -0.5611 -0.5607 -0.5607 1.3860 1.3860 1.3968 1.3968 1.9272 1.9272 1.9480 1.9480 3.7529 3.7529 3.7731 3.7731 6.3140 6.3140 6.3703 6.3703 k = 0.5000 0.1612 0.3585 ( 4172 PWs) bands (ev): -8.3769 -8.3769 -8.3769 -8.3769 -6.0190 -6.0190 -6.0148 -6.0148 -5.9823 -5.9823 -5.9769 -5.9769 -5.3343 -5.3343 -5.3260 -5.3260 -5.2962 -5.2962 -5.2942 -5.2942 -5.2726 -5.2726 -5.2677 -5.2677 -0.5359 -0.5359 -0.5355 -0.5355 1.3363 1.3363 1.3463 1.3463 1.9198 1.9198 1.9403 1.9403 3.6924 3.6924 3.7125 3.7125 6.3564 6.3564 6.4128 6.4128 k = 0.5000 0.1759 0.3585 ( 4172 PWs) bands (ev): -8.3769 -8.3769 -8.3769 -8.3769 -6.0186 -6.0186 -6.0145 -6.0145 -5.9801 -5.9801 -5.9747 -5.9747 -5.3338 -5.3338 -5.3248 -5.3248 -5.2958 -5.2958 -5.2931 -5.2931 -5.2703 -5.2703 -5.2656 -5.2656 -0.5084 -0.5084 -0.5079 -0.5079 1.2860 1.2860 1.2953 1.2953 1.9090 1.9090 1.9290 1.9290 3.6305 3.6305 3.6503 3.6503 6.4007 6.4007 6.4563 6.4563 k = 0.5000 0.1906 0.3585 ( 4168 PWs) bands (ev): -8.3769 -8.3769 -8.3769 -8.3769 -6.0183 -6.0183 -6.0143 -6.0143 -5.9777 -5.9777 -5.9723 -5.9723 -5.3332 -5.3332 -5.3238 -5.3238 -5.2952 -5.2952 -5.2919 -5.2919 -5.2677 -5.2677 -5.2633 -5.2633 -0.4786 -0.4786 -0.4781 -0.4781 1.2354 1.2354 1.2441 1.2441 1.8945 1.8945 1.9139 1.9139 3.5682 3.5682 3.5874 3.5874 6.4461 6.4461 6.5002 6.5002 k = 0.5000 0.2052 0.3585 ( 4180 PWs) bands (ev): -8.3770 -8.3770 -8.3770 -8.3770 -6.0179 -6.0179 -6.0141 -6.0141 -5.9753 -5.9753 -5.9700 -5.9700 -5.3327 -5.3327 -5.3229 -5.3229 -5.2946 -5.2946 -5.2907 -5.2907 -5.2650 -5.2650 -5.2608 -5.2608 -0.4464 -0.4464 -0.4459 -0.4459 1.1849 1.1849 1.1930 1.1930 1.8760 1.8760 1.8948 1.8948 3.5063 3.5063 3.5248 3.5248 6.4919 6.4919 6.5440 6.5440 k = 0.5000 0.2199 0.3585 ( 4184 PWs) bands (ev): -8.3770 -8.3770 -8.3770 -8.3770 -6.0176 -6.0176 -6.0139 -6.0139 -5.9727 -5.9727 -5.9675 -5.9675 -5.3321 -5.3321 -5.3221 -5.3221 -5.2939 -5.2939 -5.2895 -5.2895 -5.2621 -5.2621 -5.2581 -5.2581 -0.4120 -0.4120 -0.4115 -0.4115 1.1349 1.1349 1.1424 1.1424 1.8535 1.8535 1.8716 1.8716 3.4456 3.4456 3.4632 3.4632 6.5375 6.5375 6.5870 6.5870 k = 0.5000 0.2345 0.3585 ( 4172 PWs) bands (ev): -8.3770 -8.3770 -8.3770 -8.3770 -6.0172 -6.0172 -6.0137 -6.0137 -5.9700 -5.9700 -5.9650 -5.9650 -5.3316 -5.3316 -5.3214 -5.3214 -5.2931 -5.2931 -5.2884 -5.2884 -5.2590 -5.2590 -5.2553 -5.2553 -0.3754 -0.3754 -0.3749 -0.3749 1.0856 1.0856 1.0926 1.0926 1.8267 1.8267 1.8440 1.8440 3.3869 3.3869 3.4036 3.4036 6.5825 6.5825 6.6289 6.6289 k = 0.5000 0.2492 0.3585 ( 4168 PWs) bands (ev): -8.3770 -8.3770 -8.3770 -8.3770 -6.0168 -6.0168 -6.0135 -6.0135 -5.9673 -5.9673 -5.9625 -5.9625 -5.3311 -5.3311 -5.3209 -5.3209 -5.2922 -5.2922 -5.2872 -5.2872 -5.2557 -5.2557 -5.2523 -5.2523 -0.3365 -0.3365 -0.3360 -0.3360 1.0373 1.0373 1.0439 1.0439 1.7955 1.7955 1.8120 1.8120 3.3310 3.3310 3.3466 3.3466 6.6263 6.6263 6.6694 6.6694 k = 0.5000 0.2639 0.3585 ( 4176 PWs) bands (ev): -8.3771 -8.3771 -8.3771 -8.3771 -6.0165 -6.0165 -6.0134 -6.0134 -5.9647 -5.9647 -5.9600 -5.9600 -5.3306 -5.3306 -5.3205 -5.3205 -5.2913 -5.2913 -5.2862 -5.2862 -5.2524 -5.2524 -5.2493 -5.2493 -0.2956 -0.2956 -0.2950 -0.2950 0.9903 0.9903 0.9965 0.9965 1.7599 1.7599 1.7754 1.7754 3.2783 3.2783 3.2928 3.2928 6.6686 6.6686 6.7083 6.7083 k = 0.5000 0.2785 0.3585 ( 4180 PWs) bands (ev): -8.3771 -8.3771 -8.3771 -8.3771 -6.0162 -6.0162 -6.0133 -6.0133 -5.9620 -5.9620 -5.9576 -5.9576 -5.3300 -5.3300 -5.3202 -5.3202 -5.2904 -5.2904 -5.2852 -5.2852 -5.2490 -5.2490 -5.2461 -5.2461 -0.2525 -0.2525 -0.2520 -0.2520 0.9449 0.9449 0.9508 0.9508 1.7198 1.7198 1.7344 1.7344 3.2292 3.2292 3.2426 3.2426 6.7093 6.7093 6.7455 6.7455 k = 0.5000 0.2932 0.3585 ( 4184 PWs) bands (ev): -8.3771 -8.3771 -8.3771 -8.3771 -6.0159 -6.0159 -6.0132 -6.0132 -5.9593 -5.9593 -5.9552 -5.9552 -5.3295 -5.3295 -5.3200 -5.3200 -5.2894 -5.2894 -5.2842 -5.2842 -5.2456 -5.2456 -5.2429 -5.2429 -0.2074 -0.2074 -0.2069 -0.2069 0.9014 0.9014 0.9069 0.9069 1.6754 1.6754 1.6890 1.6890 3.1842 3.1842 3.1964 3.1964 6.7480 6.7480 6.7807 6.7807 k = 0.5000 0.3078 0.3585 ( 4180 PWs) bands (ev): -8.3771 -8.3771 -8.3771 -8.3771 -6.0155 -6.0155 -6.0131 -6.0131 -5.9567 -5.9567 -5.9528 -5.9528 -5.3290 -5.3290 -5.3199 -5.3199 -5.2885 -5.2885 -5.2834 -5.2834 -5.2421 -5.2421 -5.2398 -5.2398 -0.1604 -0.1604 -0.1600 -0.1600 0.8598 0.8598 0.8651 0.8651 1.6268 1.6268 1.6395 1.6395 3.1433 3.1433 3.1543 3.1543 6.7847 6.7847 6.8140 6.8140 k = 0.5000 0.3225 0.3585 ( 4180 PWs) bands (ev): -8.3772 -8.3772 -8.3771 -8.3771 -6.0152 -6.0152 -6.0130 -6.0130 -5.9542 -5.9542 -5.9506 -5.9506 -5.3285 -5.3285 -5.3199 -5.3199 -5.2875 -5.2875 -5.2826 -5.2826 -5.2388 -5.2388 -5.2366 -5.2366 -0.1116 -0.1116 -0.1112 -0.1112 0.8206 0.8206 0.8257 0.8257 1.5745 1.5745 1.5862 1.5862 3.1067 3.1067 3.1165 3.1165 6.8192 6.8192 6.8453 6.8453 k = 0.5000 0.3372 0.3585 ( 4180 PWs) bands (ev): -8.3772 -8.3772 -8.3772 -8.3772 -6.0150 -6.0150 -6.0129 -6.0129 -5.9518 -5.9518 -5.9484 -5.9484 -5.3280 -5.3280 -5.3199 -5.3199 -5.2866 -5.2866 -5.2819 -5.2819 -5.2355 -5.2355 -5.2335 -5.2335 -0.0612 -0.0612 -0.0608 -0.0608 0.7838 0.7838 0.7887 0.7887 1.5189 1.5189 1.5297 1.5297 3.0742 3.0742 3.0829 3.0829 6.8515 6.8515 6.8745 6.8745 k = 0.5000 0.3518 0.3585 ( 4188 PWs) bands (ev): -8.3772 -8.3772 -8.3772 -8.3772 -6.0147 -6.0147 -6.0129 -6.0129 -5.9495 -5.9495 -5.9464 -5.9464 -5.3275 -5.3275 -5.3200 -5.3200 -5.2857 -5.2857 -5.2813 -5.2813 -5.2323 -5.2323 -5.2306 -5.2306 -0.0092 -0.0092 -0.0090 -0.0090 0.7497 0.7497 0.7544 0.7544 1.4605 1.4605 1.4704 1.4704 3.0456 3.0456 3.0533 3.0533 6.8813 6.8813 6.9016 6.9016 k = 0.5000 0.3665 0.3585 ( 4200 PWs) bands (ev): -8.3772 -8.3772 -8.3772 -8.3772 -6.0145 -6.0145 -6.0129 -6.0129 -5.9474 -5.9474 -5.9446 -5.9446 -5.3271 -5.3271 -5.3202 -5.3202 -5.2848 -5.2848 -5.2808 -5.2808 -5.2293 -5.2293 -5.2278 -5.2278 0.0439 0.0439 0.0440 0.0440 0.7183 0.7183 0.7230 0.7230 1.3999 1.3999 1.4090 1.4090 3.0209 3.0209 3.0275 3.0275 6.9088 6.9088 6.9264 6.9264 k = 0.5000 0.3811 0.3585 ( 4192 PWs) bands (ev): -8.3772 -8.3772 -8.3772 -8.3772 -6.0143 -6.0143 -6.0128 -6.0128 -5.9454 -5.9454 -5.9429 -5.9429 -5.3266 -5.3266 -5.3204 -5.3204 -5.2840 -5.2840 -5.2803 -5.2803 -5.2265 -5.2265 -5.2252 -5.2252 0.0979 0.0979 0.0979 0.0979 0.6900 0.6900 0.6947 0.6947 1.3379 1.3379 1.3462 1.3462 2.9997 2.9997 3.0054 3.0054 6.9338 6.9338 6.9489 6.9489 k = 0.5000 0.3958 0.3585 ( 4200 PWs) bands (ev): -8.3772 -8.3772 -8.3772 -8.3772 -6.0141 -6.0141 -6.0128 -6.0128 -5.9436 -5.9436 -5.9414 -5.9414 -5.3261 -5.3261 -5.3206 -5.3206 -5.2832 -5.2832 -5.2800 -5.2800 -5.2240 -5.2240 -5.2228 -5.2228 0.1521 0.1521 0.1522 0.1522 0.6649 0.6649 0.6696 0.6696 1.2753 1.2753 1.2829 1.2829 2.9817 2.9817 2.9865 2.9865 6.9561 6.9561 6.9689 6.9689 k = 0.5000 0.4105 0.3585 ( 4216 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0139 -6.0139 -6.0128 -6.0128 -5.9420 -5.9420 -5.9401 -5.9401 -5.3256 -5.3256 -5.3209 -5.3209 -5.2825 -5.2825 -5.2797 -5.2797 -5.2217 -5.2217 -5.2207 -5.2207 0.2059 0.2059 0.2063 0.2063 0.6430 0.6430 0.6478 0.6478 1.2132 1.2132 1.2201 1.2201 2.9667 2.9667 2.9707 2.9707 6.9758 6.9758 6.9864 6.9864 k = 0.5000 0.4251 0.3585 ( 4212 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0137 -6.0137 -6.0128 -6.0128 -5.9406 -5.9406 -5.9390 -5.9390 -5.3252 -5.3252 -5.3212 -5.3212 -5.2819 -5.2819 -5.2795 -5.2795 -5.2197 -5.2197 -5.2189 -5.2189 0.2584 0.2584 0.2591 0.2591 0.6247 0.6247 0.6296 0.6296 1.1527 1.1527 1.1589 1.1589 2.9545 2.9545 2.9578 2.9578 6.9927 6.9927 7.0014 7.0014 k = 0.5000 0.4398 0.3585 ( 4216 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0136 -6.0136 -6.0129 -6.0129 -5.9394 -5.9394 -5.9381 -5.9381 -5.3247 -5.3247 -5.3215 -5.3215 -5.2813 -5.2813 -5.2794 -5.2794 -5.2180 -5.2180 -5.2173 -5.2173 0.3080 0.3080 0.3090 0.3090 0.6101 0.6101 0.6150 0.6150 1.0957 1.0957 1.1012 1.1012 2.9449 2.9449 2.9474 2.9474 7.0068 7.0068 7.0136 7.0136 k = 0.5000 0.4544 0.3585 ( 4224 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0134 -6.0134 -6.0129 -6.0129 -5.9384 -5.9384 -5.9375 -5.9375 -5.3243 -5.3243 -5.3218 -5.3218 -5.2808 -5.2808 -5.2793 -5.2793 -5.2166 -5.2166 -5.2162 -5.2162 0.3525 0.3525 0.3538 0.3538 0.5995 0.5995 0.6043 0.6043 1.0447 1.0447 1.0493 1.0493 2.9376 2.9376 2.9395 2.9395 7.0180 7.0180 7.0230 7.0230 k = 0.5000 0.4691 0.3585 ( 4248 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0133 -6.0133 -6.0130 -6.0130 -5.9377 -5.9377 -5.9371 -5.9371 -5.3238 -5.3238 -5.3222 -5.3222 -5.2804 -5.2804 -5.2794 -5.2794 -5.2157 -5.2157 -5.2154 -5.2154 0.3887 0.3887 0.3901 0.3901 0.5932 0.5932 0.5973 0.5973 1.0030 1.0030 1.0065 1.0065 2.9327 2.9327 2.9339 2.9339 7.0262 7.0262 7.0295 7.0295 k = 0.5000 0.4837 0.3585 ( 4244 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0132 -6.0132 -6.0130 -6.0130 -5.9372 -5.9372 -5.9369 -5.9369 -5.3234 -5.3234 -5.3226 -5.3226 -5.2800 -5.2800 -5.2795 -5.2795 -5.2150 -5.2150 -5.2149 -5.2149 0.4128 0.4128 0.4138 0.4138 0.5908 0.5908 0.5933 0.5933 0.9753 0.9753 0.9772 0.9772 2.9298 2.9298 2.9304 2.9304 7.0315 7.0315 7.0332 7.0332 k = 0.5000 0.4984 0.3585 ( 4248 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9369 -5.9369 -5.9369 -5.9369 -5.3230 -5.3230 -5.3230 -5.3230 -5.2797 -5.2797 -5.2797 -5.2797 -5.2148 -5.2148 -5.2148 -5.2148 0.4217 0.4217 0.4217 0.4217 0.5913 0.5913 0.5913 0.5913 0.9661 0.9661 0.9661 0.9661 2.9291 2.9291 2.9291 2.9291 7.0338 7.0338 7.0338 7.0338 k = 0.5000 0.4984 0.3585 ( 4248 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9369 -5.9369 -5.9369 -5.9369 -5.3230 -5.3230 -5.3230 -5.3230 -5.2797 -5.2797 -5.2797 -5.2797 -5.2148 -5.2148 -5.2148 -5.2148 0.4217 0.4217 0.4217 0.4217 0.5913 0.5913 0.5913 0.5913 0.9661 0.9661 0.9661 0.9661 2.9291 2.9291 2.9291 2.9291 7.0338 7.0338 7.0338 7.0338 k = 0.4853 0.4984 0.3585 ( 4240 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9370 -5.9370 -5.9370 -5.9370 -5.3230 -5.3230 -5.3230 -5.3230 -5.2797 -5.2797 -5.2797 -5.2797 -5.2150 -5.2150 -5.2150 -5.2150 0.4129 0.4129 0.4129 0.4129 0.5932 0.5932 0.5932 0.5932 0.9757 0.9757 0.9757 0.9757 2.9303 2.9303 2.9303 2.9303 7.0282 7.0282 7.0282 7.0282 k = 0.4706 0.4984 0.3585 ( 4232 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9374 -5.9374 -5.9374 -5.9374 -5.3230 -5.3230 -5.3230 -5.3230 -5.2798 -5.2798 -5.2798 -5.2798 -5.2156 -5.2156 -5.2156 -5.2156 0.3880 0.3880 0.3880 0.3880 0.5990 0.5990 0.5990 0.5990 1.0029 1.0029 1.0029 1.0029 2.9341 2.9341 2.9341 2.9341 7.0114 7.0114 7.0114 7.0114 k = 0.4559 0.4984 0.3585 ( 4232 PWs) bands (ev): -8.3774 -8.3774 -8.3774 -8.3774 -6.0132 -6.0132 -6.0132 -6.0132 -5.9380 -5.9380 -5.9380 -5.9380 -5.3231 -5.3231 -5.3231 -5.3231 -5.2799 -5.2799 -5.2799 -5.2799 -5.2166 -5.2166 -5.2166 -5.2166 0.3512 0.3512 0.3512 0.3512 0.6086 0.6086 0.6086 0.6086 1.0435 1.0435 1.0435 1.0435 2.9404 2.9404 2.9404 2.9404 6.9840 6.9840 6.9840 6.9840 k = 0.4412 0.4984 0.3585 ( 4228 PWs) bands (ev): -8.3774 -8.3774 -8.3774 -8.3774 -6.0132 -6.0132 -6.0132 -6.0132 -5.9388 -5.9388 -5.9388 -5.9388 -5.3232 -5.3232 -5.3232 -5.3232 -5.2801 -5.2801 -5.2801 -5.2801 -5.2180 -5.2180 -5.2180 -5.2180 0.3065 0.3065 0.3065 0.3065 0.6220 0.6220 0.6220 0.6220 1.0933 1.0933 1.0933 1.0933 2.9495 2.9495 2.9495 2.9495 6.9469 6.9469 6.9469 6.9469 k = 0.4265 0.4984 0.3585 ( 4212 PWs) bands (ev): -8.3774 -8.3774 -8.3774 -8.3774 -6.0133 -6.0133 -6.0133 -6.0133 -5.9399 -5.9399 -5.9399 -5.9399 -5.3233 -5.3233 -5.3233 -5.3233 -5.2803 -5.2803 -5.2803 -5.2803 -5.2197 -5.2197 -5.2197 -5.2197 0.2569 0.2569 0.2569 0.2569 0.6391 0.6391 0.6391 0.6391 1.1491 1.1491 1.1491 1.1491 2.9613 2.9613 2.9613 2.9613 6.9011 6.9011 6.9011 6.9011 k = 0.4118 0.4984 0.3585 ( 4204 PWs) bands (ev): -8.3775 -8.3775 -8.3775 -8.3775 -6.0133 -6.0133 -6.0133 -6.0133 -5.9412 -5.9412 -5.9412 -5.9412 -5.3234 -5.3234 -5.3234 -5.3234 -5.2805 -5.2805 -5.2805 -5.2805 -5.2219 -5.2219 -5.2219 -5.2219 0.2047 0.2047 0.2047 0.2047 0.6600 0.6600 0.6600 0.6600 1.2084 1.2084 1.2084 1.2084 2.9761 2.9761 2.9761 2.9761 6.8475 6.8475 6.8475 6.8475 k = 0.3971 0.4984 0.3585 ( 4200 PWs) bands (ev): -8.3775 -8.3775 -8.3775 -8.3775 -6.0134 -6.0134 -6.0134 -6.0134 -5.9427 -5.9427 -5.9427 -5.9427 -5.3236 -5.3236 -5.3236 -5.3236 -5.2808 -5.2808 -5.2808 -5.2808 -5.2243 -5.2243 -5.2243 -5.2243 0.1513 0.1513 0.1513 0.1513 0.6844 0.6844 0.6844 0.6844 1.2696 1.2696 1.2696 1.2696 2.9942 2.9942 2.9942 2.9942 6.7874 6.7874 6.7874 6.7874 k = 0.3824 0.4984 0.3585 ( 4196 PWs) bands (ev): -8.3776 -8.3776 -8.3776 -8.3776 -6.0135 -6.0135 -6.0135 -6.0135 -5.9444 -5.9444 -5.9444 -5.9444 -5.3238 -5.3238 -5.3238 -5.3238 -5.2811 -5.2811 -5.2811 -5.2811 -5.2271 -5.2271 -5.2271 -5.2271 0.0976 0.0976 0.0976 0.0976 0.7123 0.7123 0.7123 0.7123 1.3315 1.3315 1.3315 1.3315 3.0156 3.0156 3.0156 3.0156 6.7216 6.7216 6.7216 6.7216 k = 0.3676 0.4984 0.3585 ( 4184 PWs) bands (ev): -8.3777 -8.3777 -8.3777 -8.3777 -6.0136 -6.0136 -6.0136 -6.0136 -5.9463 -5.9463 -5.9463 -5.9463 -5.3240 -5.3240 -5.3240 -5.3240 -5.2814 -5.2814 -5.2814 -5.2814 -5.2301 -5.2301 -5.2301 -5.2301 0.0444 0.0444 0.0444 0.0444 0.7436 0.7436 0.7436 0.7436 1.3930 1.3930 1.3930 1.3930 3.0407 3.0407 3.0407 3.0407 6.6509 6.6509 6.6509 6.6509 k = 0.3529 0.4984 0.3585 ( 4188 PWs) bands (ev): -8.3777 -8.3777 -8.3777 -8.3777 -6.0137 -6.0137 -6.0137 -6.0137 -5.9484 -5.9484 -5.9484 -5.9484 -5.3242 -5.3242 -5.3242 -5.3242 -5.2818 -5.2818 -5.2818 -5.2818 -5.2334 -5.2334 -5.2334 -5.2334 -0.0081 -0.0081 -0.0081 -0.0081 0.7782 0.7782 0.7782 0.7782 1.4533 1.4533 1.4533 1.4533 3.0696 3.0696 3.0696 3.0696 6.5762 6.5762 6.5762 6.5762 k = 0.3382 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3778 -8.3778 -8.3778 -8.3778 -6.0139 -6.0139 -6.0139 -6.0139 -5.9506 -5.9506 -5.9506 -5.9506 -5.3244 -5.3244 -5.3244 -5.3244 -5.2822 -5.2822 -5.2822 -5.2822 -5.2369 -5.2369 -5.2369 -5.2369 -0.0593 -0.0593 -0.0593 -0.0593 0.8158 0.8158 0.8158 0.8158 1.5117 1.5117 1.5117 1.5117 3.1027 3.1027 3.1027 3.1027 6.4982 6.4982 6.4982 6.4982 k = 0.3235 0.4984 0.3585 ( 4180 PWs) bands (ev): -8.3779 -8.3779 -8.3779 -8.3779 -6.0140 -6.0140 -6.0140 -6.0140 -5.9530 -5.9530 -5.9530 -5.9530 -5.3247 -5.3247 -5.3247 -5.3247 -5.2826 -5.2826 -5.2826 -5.2826 -5.2406 -5.2406 -5.2406 -5.2406 -0.1091 -0.1091 -0.1091 -0.1091 0.8563 0.8563 0.8563 0.8563 1.5678 1.5678 1.5678 1.5678 3.1400 3.1400 3.1400 3.1400 6.4173 6.4173 6.4173 6.4173 k = 0.3088 0.4984 0.3585 ( 4184 PWs) bands (ev): -8.3780 -8.3780 -8.3780 -8.3780 -6.0142 -6.0142 -6.0142 -6.0142 -5.9555 -5.9555 -5.9555 -5.9555 -5.3250 -5.3250 -5.3250 -5.3250 -5.2831 -5.2831 -5.2831 -5.2831 -5.2444 -5.2444 -5.2444 -5.2444 -0.1573 -0.1573 -0.1573 -0.1573 0.8996 0.8996 0.8996 0.8996 1.6210 1.6210 1.6210 1.6210 3.1817 3.1817 3.1817 3.1817 6.3342 6.3342 6.3342 6.3342 k = 0.2941 0.4984 0.3585 ( 4188 PWs) bands (ev): -8.3781 -8.3781 -8.3781 -8.3781 -6.0143 -6.0143 -6.0143 -6.0143 -5.9580 -5.9580 -5.9580 -5.9580 -5.3253 -5.3253 -5.3253 -5.3253 -5.2835 -5.2835 -5.2835 -5.2835 -5.2483 -5.2483 -5.2483 -5.2483 -0.2037 -0.2037 -0.2037 -0.2037 0.9453 0.9453 0.9453 0.9453 1.6709 1.6709 1.6709 1.6709 3.2279 3.2279 3.2279 3.2279 6.2493 6.2493 6.2493 6.2493 k = 0.2794 0.4984 0.3585 ( 4188 PWs) bands (ev): -8.3782 -8.3782 -8.3782 -8.3782 -6.0145 -6.0145 -6.0145 -6.0145 -5.9607 -5.9607 -5.9607 -5.9607 -5.3256 -5.3256 -5.3256 -5.3256 -5.2840 -5.2840 -5.2840 -5.2840 -5.2523 -5.2523 -5.2523 -5.2523 -0.2482 -0.2482 -0.2482 -0.2482 0.9933 0.9933 0.9933 0.9933 1.7174 1.7174 1.7174 1.7174 3.2784 3.2784 3.2784 3.2784 6.1630 6.1630 6.1630 6.1630 k = 0.2647 0.4984 0.3585 ( 4184 PWs) bands (ev): -8.3783 -8.3783 -8.3783 -8.3783 -6.0147 -6.0147 -6.0147 -6.0147 -5.9634 -5.9634 -5.9634 -5.9634 -5.3260 -5.3260 -5.3260 -5.3260 -5.2845 -5.2845 -5.2845 -5.2845 -5.2562 -5.2562 -5.2562 -5.2562 -0.2908 -0.2908 -0.2908 -0.2908 1.0433 1.0433 1.0433 1.0433 1.7601 1.7601 1.7601 1.7601 3.3331 3.3331 3.3331 3.3331 6.0759 6.0759 6.0759 6.0759 k = 0.2500 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3784 -8.3784 -8.3784 -8.3784 -6.0148 -6.0148 -6.0148 -6.0148 -5.9662 -5.9662 -5.9662 -5.9662 -5.3263 -5.3263 -5.3263 -5.3263 -5.2850 -5.2850 -5.2850 -5.2850 -5.2602 -5.2602 -5.2602 -5.2602 -0.3313 -0.3313 -0.3313 -0.3313 1.0951 1.0951 1.0951 1.0951 1.7991 1.7991 1.7991 1.7991 3.3917 3.3917 3.3917 3.3917 5.9883 5.9883 5.9883 5.9883 k = 0.2353 0.4984 0.3585 ( 4168 PWs) bands (ev): -8.3785 -8.3785 -8.3785 -8.3785 -6.0150 -6.0150 -6.0150 -6.0150 -5.9689 -5.9689 -5.9689 -5.9689 -5.3267 -5.3267 -5.3267 -5.3267 -5.2855 -5.2855 -5.2855 -5.2855 -5.2641 -5.2641 -5.2641 -5.2641 -0.3696 -0.3696 -0.3696 -0.3696 1.1482 1.1482 1.1482 1.1482 1.8343 1.8343 1.8343 1.8343 3.4537 3.4537 3.4537 3.4537 5.9006 5.9006 5.9006 5.9006 k = 0.2206 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3786 -8.3786 -8.3786 -8.3786 -6.0152 -6.0152 -6.0152 -6.0152 -5.9717 -5.9717 -5.9717 -5.9717 -5.3271 -5.3271 -5.3271 -5.3271 -5.2860 -5.2860 -5.2860 -5.2860 -5.2679 -5.2679 -5.2679 -5.2679 -0.4058 -0.4058 -0.4058 -0.4058 1.2023 1.2023 1.2023 1.2023 1.8660 1.8660 1.8660 1.8660 3.5188 3.5188 3.5188 3.5188 5.8135 5.8135 5.8135 5.8135 k = 0.2059 0.4984 0.3585 ( 4180 PWs) bands (ev): -8.3787 -8.3787 -8.3787 -8.3787 -6.0153 -6.0153 -6.0153 -6.0153 -5.9744 -5.9744 -5.9744 -5.9744 -5.3275 -5.3275 -5.3275 -5.3275 -5.2865 -5.2865 -5.2865 -5.2865 -5.2715 -5.2715 -5.2715 -5.2715 -0.4398 -0.4398 -0.4398 -0.4398 1.2572 1.2572 1.2572 1.2572 1.8942 1.8942 1.8942 1.8942 3.5861 3.5861 3.5861 3.5861 5.7272 5.7272 5.7272 5.7272 k = 0.1912 0.4984 0.3585 ( 4188 PWs) bands (ev): -8.3788 -8.3788 -8.3788 -8.3788 -6.0155 -6.0155 -6.0155 -6.0155 -5.9771 -5.9771 -5.9771 -5.9771 -5.3279 -5.3279 -5.3279 -5.3279 -5.2870 -5.2870 -5.2870 -5.2870 -5.2750 -5.2750 -5.2750 -5.2750 -0.4716 -0.4716 -0.4716 -0.4716 1.3122 1.3122 1.3122 1.3122 1.9192 1.9192 1.9192 1.9192 3.6551 3.6551 3.6551 3.6551 5.6424 5.6424 5.6424 5.6424 k = 0.1765 0.4984 0.3585 ( 4184 PWs) bands (ev): -8.3789 -8.3789 -8.3789 -8.3789 -6.0157 -6.0157 -6.0157 -6.0157 -5.9796 -5.9796 -5.9796 -5.9796 -5.3283 -5.3283 -5.3283 -5.3283 -5.2876 -5.2876 -5.2876 -5.2876 -5.2782 -5.2782 -5.2782 -5.2782 -0.5011 -0.5011 -0.5011 -0.5011 1.3670 1.3670 1.3670 1.3670 1.9411 1.9411 1.9411 1.9411 3.7248 3.7248 3.7248 3.7248 5.5595 5.5595 5.5595 5.5595 k = 0.1618 0.4984 0.3585 ( 4180 PWs) bands (ev): -8.3790 -8.3790 -8.3790 -8.3790 -6.0158 -6.0158 -6.0158 -6.0158 -5.9820 -5.9820 -5.9820 -5.9820 -5.3287 -5.3287 -5.3287 -5.3287 -5.2883 -5.2883 -5.2883 -5.2883 -5.2810 -5.2810 -5.2810 -5.2810 -0.5282 -0.5282 -0.5282 -0.5282 1.4210 1.4210 1.4210 1.4210 1.9604 1.9604 1.9604 1.9604 3.7946 3.7946 3.7946 3.7946 5.4793 5.4793 5.4793 5.4793 k = 0.1471 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3791 -8.3791 -8.3791 -8.3791 -6.0159 -6.0159 -6.0159 -6.0159 -5.9844 -5.9844 -5.9844 -5.9844 -5.3292 -5.3292 -5.3292 -5.3292 -5.2892 -5.2892 -5.2892 -5.2892 -5.2834 -5.2834 -5.2834 -5.2834 -0.5531 -0.5531 -0.5531 -0.5531 1.4737 1.4737 1.4737 1.4737 1.9771 1.9771 1.9771 1.9771 3.8634 3.8634 3.8634 3.8634 5.4023 5.4023 5.4023 5.4023 k = 0.1324 0.4984 0.3585 ( 4172 PWs) bands (ev): -8.3792 -8.3792 -8.3792 -8.3792 -6.0161 -6.0161 -6.0161 -6.0161 -5.9865 -5.9865 -5.9865 -5.9865 -5.3296 -5.3296 -5.3296 -5.3296 -5.2905 -5.2905 -5.2905 -5.2905 -5.2852 -5.2852 -5.2852 -5.2852 -0.5756 -0.5756 -0.5756 -0.5756 1.5244 1.5244 1.5244 1.5244 1.9916 1.9916 1.9916 1.9916 3.9302 3.9302 3.9302 3.9302 5.3293 5.3293 5.3293 5.3293 k = 0.1176 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3793 -8.3793 -8.3793 -8.3793 -6.0162 -6.0162 -6.0162 -6.0162 -5.9885 -5.9885 -5.9885 -5.9885 -5.3300 -5.3300 -5.3300 -5.3300 -5.2921 -5.2921 -5.2921 -5.2921 -5.2863 -5.2863 -5.2863 -5.2863 -0.5958 -0.5958 -0.5958 -0.5958 1.5725 1.5725 1.5725 1.5725 2.0040 2.0040 2.0040 2.0040 3.9941 3.9941 3.9941 3.9941 5.2610 5.2610 5.2610 5.2610 k = 0.1029 0.4984 0.3585 ( 4172 PWs) bands (ev): -8.3793 -8.3793 -8.3793 -8.3793 -6.0163 -6.0163 -6.0163 -6.0163 -5.9903 -5.9903 -5.9903 -5.9903 -5.3304 -5.3304 -5.3304 -5.3304 -5.2938 -5.2938 -5.2938 -5.2938 -5.2870 -5.2870 -5.2870 -5.2870 -0.6137 -0.6137 -0.6137 -0.6137 1.6173 1.6173 1.6173 1.6173 2.0145 2.0145 2.0145 2.0145 4.0540 4.0540 4.0540 4.0540 5.1981 5.1981 5.1981 5.1981 k = 0.0882 0.4984 0.3585 ( 4168 PWs) bands (ev): -8.3794 -8.3794 -8.3794 -8.3794 -6.0164 -6.0164 -6.0164 -6.0164 -5.9919 -5.9919 -5.9919 -5.9919 -5.3308 -5.3308 -5.3308 -5.3308 -5.2955 -5.2955 -5.2955 -5.2955 -5.2875 -5.2875 -5.2875 -5.2875 -0.6292 -0.6292 -0.6292 -0.6292 1.6580 1.6580 1.6580 1.6580 2.0233 2.0233 2.0233 2.0233 4.1089 4.1089 4.1089 4.1089 5.1414 5.1414 5.1414 5.1414 k = 0.0735 0.4984 0.3585 ( 4164 PWs) bands (ev): -8.3794 -8.3794 -8.3794 -8.3794 -6.0165 -6.0165 -6.0165 -6.0165 -5.9933 -5.9933 -5.9933 -5.9933 -5.3311 -5.3311 -5.3311 -5.3311 -5.2969 -5.2969 -5.2969 -5.2969 -5.2879 -5.2879 -5.2879 -5.2879 -0.6423 -0.6423 -0.6423 -0.6423 1.6941 1.6941 1.6941 1.6941 2.0306 2.0306 2.0306 2.0306 4.1576 4.1576 4.1576 4.1576 5.0917 5.0917 5.0917 5.0917 k = 0.0588 0.4984 0.3585 ( 4168 PWs) bands (ev): -8.3795 -8.3795 -8.3795 -8.3795 -6.0166 -6.0166 -6.0166 -6.0166 -5.9944 -5.9944 -5.9944 -5.9944 -5.3314 -5.3314 -5.3314 -5.3314 -5.2981 -5.2981 -5.2981 -5.2981 -5.2881 -5.2881 -5.2881 -5.2881 -0.6530 -0.6530 -0.6530 -0.6530 1.7247 1.7247 1.7247 1.7247 2.0364 2.0364 2.0364 2.0364 4.1991 4.1991 4.1991 4.1991 5.0498 5.0498 5.0498 5.0498 k = 0.0441 0.4984 0.3585 ( 4168 PWs) bands (ev): -8.3795 -8.3795 -8.3795 -8.3795 -6.0166 -6.0166 -6.0166 -6.0166 -5.9953 -5.9953 -5.9953 -5.9953 -5.3317 -5.3317 -5.3317 -5.3317 -5.2991 -5.2991 -5.2991 -5.2991 -5.2883 -5.2883 -5.2883 -5.2883 -0.6613 -0.6613 -0.6613 -0.6613 1.7492 1.7492 1.7492 1.7492 2.0409 2.0409 2.0409 2.0409 4.2326 4.2326 4.2326 4.2326 5.0164 5.0164 5.0164 5.0164 k = 0.0294 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3795 -8.3795 -8.3795 -8.3795 -6.0167 -6.0167 -6.0167 -6.0167 -5.9960 -5.9960 -5.9960 -5.9960 -5.3319 -5.3319 -5.3319 -5.3319 -5.2998 -5.2998 -5.2998 -5.2998 -5.2885 -5.2885 -5.2885 -5.2885 -0.6673 -0.6673 -0.6673 -0.6673 1.7671 1.7671 1.7671 1.7671 2.0440 2.0440 2.0440 2.0440 4.2571 4.2571 4.2571 4.2571 4.9920 4.9920 4.9920 4.9920 k = 0.0147 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3796 -8.3796 -8.3796 -8.3796 -6.0167 -6.0167 -6.0167 -6.0167 -5.9964 -5.9964 -5.9964 -5.9964 -5.3320 -5.3320 -5.3320 -5.3320 -5.3002 -5.3002 -5.3002 -5.3002 -5.2885 -5.2885 -5.2885 -5.2885 -0.6709 -0.6709 -0.6709 -0.6709 1.7781 1.7781 1.7781 1.7781 2.0459 2.0459 2.0459 2.0459 4.2721 4.2721 4.2721 4.2721 4.9772 4.9772 4.9772 4.9772 k = 0.0000 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3796 -8.3796 -8.3796 -8.3796 -6.0167 -6.0167 -6.0167 -6.0167 -5.9965 -5.9965 -5.9965 -5.9965 -5.3320 -5.3320 -5.3320 -5.3320 -5.3003 -5.3003 -5.3003 -5.3003 -5.2886 -5.2886 -5.2886 -5.2886 -0.6721 -0.6721 -0.6721 -0.6721 1.7818 1.7818 1.7818 1.7818 2.0465 2.0465 2.0465 2.0465 4.2771 4.2771 4.2771 4.2771 4.9722 4.9722 4.9722 4.9722 k = 0.0000 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3796 -8.3796 -8.3796 -8.3796 -6.0167 -6.0167 -6.0167 -6.0167 -5.9965 -5.9965 -5.9965 -5.9965 -5.3320 -5.3320 -5.3320 -5.3320 -5.3003 -5.3003 -5.3003 -5.3003 -5.2886 -5.2886 -5.2886 -5.2886 -0.6721 -0.6721 -0.6721 -0.6721 1.7818 1.7818 1.7818 1.7818 2.0465 2.0465 2.0465 2.0465 4.2771 4.2771 4.2771 4.2771 4.9722 4.9722 4.9722 4.9722 k = 0.0000 0.4837 0.3585 ( 4176 PWs) bands (ev): -8.3798 -8.3798 -8.3798 -8.3798 -6.0167 -6.0167 -6.0167 -6.0167 -5.9965 -5.9965 -5.9964 -5.9964 -5.3322 -5.3322 -5.3317 -5.3317 -5.3007 -5.3007 -5.3000 -5.3000 -5.2887 -5.2887 -5.2884 -5.2884 -0.6706 -0.6706 -0.6706 -0.6706 1.7800 1.7800 1.7812 1.7812 2.0455 2.0455 2.0466 2.0466 4.2665 4.2665 4.2684 4.2684 4.9826 4.9826 4.9841 4.9841 k = 0.0000 0.4691 0.3585 ( 4180 PWs) bands (ev): -8.3804 -8.3804 -8.3804 -8.3804 -6.0166 -6.0166 -6.0165 -6.0165 -5.9965 -5.9965 -5.9964 -5.9964 -5.3323 -5.3323 -5.3313 -5.3313 -5.3009 -5.3009 -5.2996 -5.2996 -5.2889 -5.2889 -5.2882 -5.2882 -0.6664 -0.6664 -0.6663 -0.6663 1.7759 1.7759 1.7784 1.7784 2.0434 2.0434 2.0457 2.0457 4.2383 4.2383 4.2417 4.2417 5.0135 5.0135 5.0163 5.0163 k = 0.0000 0.4544 0.3585 ( 4186 PWs) bands (ev): -8.3815 -8.3815 -8.3815 -8.3815 -6.0164 -6.0164 -6.0163 -6.0163 -5.9965 -5.9965 -5.9962 -5.9962 -5.3323 -5.3323 -5.3308 -5.3308 -5.3012 -5.3012 -5.2992 -5.2992 -5.2891 -5.2891 -5.2881 -5.2881 -0.6592 -0.6592 -0.6592 -0.6592 1.7696 1.7696 1.7733 1.7733 2.0403 2.0403 2.0437 2.0437 4.1965 4.1965 4.2010 4.2010 5.0613 5.0613 5.0648 5.0648 k = 0.0000 0.4398 0.3585 ( 4176 PWs) bands (ev): -8.3830 -8.3830 -8.3830 -8.3830 -6.0162 -6.0162 -6.0161 -6.0161 -5.9965 -5.9965 -5.9961 -5.9961 -5.3322 -5.3322 -5.3302 -5.3302 -5.3014 -5.3014 -5.2988 -5.2988 -5.2892 -5.2892 -5.2879 -5.2879 -0.6493 -0.6493 -0.6492 -0.6492 1.7611 1.7611 1.7660 1.7660 2.0361 2.0361 2.0407 2.0407 4.1454 4.1454 4.1506 4.1506 5.1215 5.1215 5.1253 5.1253 k = 0.0000 0.4251 0.3585 ( 4168 PWs) bands (ev): -8.3849 -8.3849 -8.3849 -8.3849 -6.0158 -6.0158 -6.0157 -6.0157 -5.9964 -5.9964 -5.9959 -5.9959 -5.3319 -5.3319 -5.3294 -5.3294 -5.3015 -5.3015 -5.2984 -5.2984 -5.2892 -5.2892 -5.2877 -5.2877 -0.6365 -0.6365 -0.6365 -0.6365 1.7507 1.7507 1.7568 1.7568 2.0308 2.0308 2.0365 2.0365 4.0883 4.0883 4.0939 4.0939 5.1907 5.1907 5.1944 5.1944 k = 0.0000 0.4105 0.3585 ( 4168 PWs) bands (ev): -8.3872 -8.3872 -8.3872 -8.3872 -6.0155 -6.0155 -6.0153 -6.0153 -5.9963 -5.9963 -5.9957 -5.9957 -5.3315 -5.3315 -5.3286 -5.3286 -5.3016 -5.3016 -5.2980 -5.2980 -5.2892 -5.2892 -5.2876 -5.2876 -0.6210 -0.6210 -0.6210 -0.6210 1.7385 1.7385 1.7457 1.7457 2.0242 2.0242 2.0310 2.0310 4.0276 4.0276 4.0333 4.0333 5.2663 5.2663 5.2696 5.2696 k = 0.0000 0.3958 0.3585 ( 4168 PWs) bands (ev): -8.3898 -8.3898 -8.3898 -8.3898 -6.0150 -6.0150 -6.0149 -6.0149 -5.9962 -5.9962 -5.9955 -5.9955 -5.3311 -5.3311 -5.3278 -5.3278 -5.3017 -5.3017 -5.2977 -5.2977 -5.2891 -5.2891 -5.2875 -5.2875 -0.6029 -0.6029 -0.6028 -0.6028 1.7248 1.7248 1.7330 1.7330 2.0164 2.0164 2.0243 2.0243 3.9648 3.9648 3.9704 3.9704 5.3466 5.3466 5.3493 5.3493 k = 0.0000 0.3811 0.3585 ( 4170 PWs) bands (ev): -8.3928 -8.3928 -8.3928 -8.3928 -6.0145 -6.0145 -6.0144 -6.0144 -5.9961 -5.9961 -5.9953 -5.9953 -5.3305 -5.3305 -5.3268 -5.3268 -5.3017 -5.3017 -5.2975 -5.2975 -5.2890 -5.2890 -5.2873 -5.2873 -0.5821 -0.5821 -0.5820 -0.5820 1.7095 1.7095 1.7188 1.7188 2.0073 2.0073 2.0162 2.0162 3.9011 3.9011 3.9065 3.9065 5.4304 5.4304 5.4322 5.4322 k = 0.0000 0.3665 0.3585 ( 4178 PWs) bands (ev): -8.3961 -8.3961 -8.3961 -8.3961 -6.0140 -6.0140 -6.0138 -6.0138 -5.9959 -5.9959 -5.9951 -5.9951 -5.3299 -5.3299 -5.3258 -5.3258 -5.3016 -5.3016 -5.2974 -5.2974 -5.2887 -5.2887 -5.2872 -5.2872 -0.5587 -0.5587 -0.5587 -0.5587 1.6931 1.6931 1.7034 1.7034 1.9967 1.9967 2.0068 2.0068 3.8371 3.8371 3.8422 3.8422 5.5168 5.5168 5.5175 5.5175 k = 0.0000 0.3518 0.3585 ( 4180 PWs) bands (ev): -8.3997 -8.3997 -8.3997 -8.3997 -6.0134 -6.0134 -6.0132 -6.0132 -5.9957 -5.9957 -5.9948 -5.9948 -5.3291 -5.3291 -5.3248 -5.3248 -5.3015 -5.3015 -5.2973 -5.2973 -5.2883 -5.2883 -5.2871 -5.2871 -0.5329 -0.5329 -0.5329 -0.5329 1.6756 1.6756 1.6870 1.6870 1.9848 1.9848 1.9959 1.9959 3.7735 3.7735 3.7782 3.7782 5.6045 5.6045 5.6050 5.6050 k = 0.0000 0.3372 0.3585 ( 4186 PWs) bands (ev): -8.4035 -8.4035 -8.4035 -8.4035 -6.0127 -6.0127 -6.0126 -6.0126 -5.9956 -5.9956 -5.9946 -5.9946 -5.3283 -5.3283 -5.3238 -5.3238 -5.3013 -5.3013 -5.2974 -5.2974 -5.2878 -5.2878 -5.2870 -5.2870 -0.5048 -0.5048 -0.5048 -0.5048 1.6574 1.6574 1.6697 1.6697 1.9714 1.9714 1.9836 1.9836 3.7105 3.7105 3.7148 3.7148 5.6927 5.6927 5.6945 5.6945 k = 0.0000 0.3225 0.3585 ( 4190 PWs) bands (ev): -8.4076 -8.4076 -8.4075 -8.4075 -6.0121 -6.0121 -6.0119 -6.0119 -5.9953 -5.9953 -5.9943 -5.9943 -5.3275 -5.3275 -5.3228 -5.3228 -5.3010 -5.3010 -5.2975 -5.2975 -5.2873 -5.2873 -5.2870 -5.2870 -0.4744 -0.4744 -0.4744 -0.4744 1.6385 1.6385 1.6517 1.6517 1.9565 1.9565 1.9698 1.9698 3.6485 3.6485 3.6523 3.6523 5.7815 5.7815 5.7848 5.7848 k = 0.0000 0.3078 0.3585 ( 4186 PWs) bands (ev): -8.4118 -8.4118 -8.4117 -8.4117 -6.0114 -6.0114 -6.0112 -6.0112 -5.9951 -5.9951 -5.9940 -5.9940 -5.3265 -5.3265 -5.3217 -5.3217 -5.3007 -5.3007 -5.2977 -5.2977 -5.2869 -5.2869 -5.2866 -5.2866 -0.4419 -0.4419 -0.4418 -0.4418 1.6191 1.6191 1.6334 1.6334 1.9401 1.9401 1.9546 1.9546 3.5877 3.5877 3.5910 3.5910 5.8704 5.8704 5.8754 5.8754 k = 0.0000 0.2932 0.3585 ( 4186 PWs) bands (ev): -8.4161 -8.4161 -8.4161 -8.4161 -6.0107 -6.0107 -6.0106 -6.0106 -5.9949 -5.9949 -5.9937 -5.9937 -5.3255 -5.3255 -5.3207 -5.3207 -5.3002 -5.3002 -5.2980 -5.2980 -5.2868 -5.2868 -5.2859 -5.2859 -0.4074 -0.4074 -0.4073 -0.4073 1.5995 1.5995 1.6147 1.6147 1.9223 1.9223 1.9380 1.9380 3.5284 3.5284 3.5311 3.5311 5.9592 5.9592 5.9658 5.9658 k = 0.0000 0.2785 0.3585 ( 4186 PWs) bands (ev): -8.4206 -8.4206 -8.4206 -8.4206 -6.0100 -6.0100 -6.0099 -6.0099 -5.9946 -5.9946 -5.9934 -5.9934 -5.3245 -5.3245 -5.3198 -5.3198 -5.2997 -5.2997 -5.2983 -5.2983 -5.2867 -5.2867 -5.2852 -5.2852 -0.3711 -0.3711 -0.3710 -0.3710 1.5797 1.5797 1.5960 1.5960 1.9031 1.9031 1.9199 1.9199 3.4706 3.4706 3.4728 3.4728 6.0473 6.0473 6.0556 6.0556 k = 0.0000 0.2639 0.3585 ( 4174 PWs) bands (ev): -8.4251 -8.4251 -8.4251 -8.4251 -6.0092 -6.0092 -6.0091 -6.0091 -5.9943 -5.9943 -5.9931 -5.9931 -5.3234 -5.3234 -5.3189 -5.3189 -5.2991 -5.2991 -5.2985 -5.2985 -5.2866 -5.2866 -5.2844 -5.2844 -0.3332 -0.3332 -0.3330 -0.3330 1.5601 1.5601 1.5774 1.5774 1.8824 1.8824 1.9005 1.9005 3.4146 3.4146 3.4162 3.4162 6.1342 6.1342 6.1444 6.1444 k = 0.0000 0.2492 0.3585 ( 4178 PWs) bands (ev): -8.4296 -8.4296 -8.4296 -8.4296 -6.0085 -6.0085 -6.0085 -6.0085 -5.9941 -5.9941 -5.9928 -5.9928 -5.3223 -5.3223 -5.3181 -5.3181 -5.2989 -5.2989 -5.2985 -5.2985 -5.2865 -5.2865 -5.2836 -5.2836 -0.2938 -0.2938 -0.2936 -0.2936 1.5406 1.5406 1.5590 1.5590 1.8605 1.8605 1.8797 1.8797 3.3605 3.3605 3.3616 3.3616 6.2196 6.2196 6.2316 6.2316 k = 0.0000 0.2345 0.3585 ( 4182 PWs) bands (ev): -8.4342 -8.4342 -8.4341 -8.4341 -6.0078 -6.0078 -6.0078 -6.0078 -5.9938 -5.9938 -5.9925 -5.9925 -5.3212 -5.3212 -5.3173 -5.3173 -5.2992 -5.2992 -5.2978 -5.2978 -5.2864 -5.2864 -5.2829 -5.2829 -0.2532 -0.2532 -0.2529 -0.2529 1.5216 1.5216 1.5409 1.5409 1.8372 1.8372 1.8577 1.8577 3.3084 3.3084 3.3090 3.3090 6.3031 6.3031 6.3167 6.3167 k = 0.0000 0.2199 0.3585 ( 4178 PWs) bands (ev): -8.4386 -8.4386 -8.4386 -8.4386 -6.0072 -6.0072 -6.0071 -6.0071 -5.9935 -5.9935 -5.9922 -5.9922 -5.3201 -5.3201 -5.3166 -5.3166 -5.2995 -5.2995 -5.2971 -5.2971 -5.2863 -5.2863 -5.2822 -5.2822 -0.2117 -0.2117 -0.2112 -0.2112 1.5030 1.5030 1.5235 1.5235 1.8127 1.8127 1.8344 1.8344 3.2586 3.2586 3.2588 3.2588 6.3840 6.3840 6.3993 6.3993 k = 0.0000 0.2052 0.3585 ( 4176 PWs) bands (ev): -8.4430 -8.4430 -8.4430 -8.4430 -6.0065 -6.0065 -6.0065 -6.0065 -5.9932 -5.9932 -5.9919 -5.9919 -5.3190 -5.3190 -5.3160 -5.3160 -5.2997 -5.2997 -5.2964 -5.2964 -5.2862 -5.2862 -5.2815 -5.2815 -0.1693 -0.1693 -0.1689 -0.1689 1.4851 1.4851 1.5067 1.5067 1.7872 1.7872 1.8101 1.8101 3.2109 3.2109 3.2112 3.2112 6.4620 6.4620 6.4787 6.4787 k = 0.0000 0.1906 0.3585 ( 4170 PWs) bands (ev): -8.4472 -8.4472 -8.4472 -8.4472 -6.0059 -6.0059 -6.0059 -6.0059 -5.9929 -5.9929 -5.9916 -5.9916 -5.3179 -5.3179 -5.3155 -5.3155 -5.3000 -5.3000 -5.2957 -5.2957 -5.2860 -5.2860 -5.2808 -5.2808 -0.1266 -0.1266 -0.1261 -0.1261 1.4681 1.4681 1.4907 1.4907 1.7607 1.7607 1.7848 1.7848 3.1656 3.1656 3.1662 3.1662 6.5367 6.5367 6.5546 6.5546 k = 0.0000 0.1759 0.3585 ( 4166 PWs) bands (ev): -8.4513 -8.4513 -8.4513 -8.4513 -6.0053 -6.0053 -6.0053 -6.0053 -5.9926 -5.9926 -5.9914 -5.9914 -5.3169 -5.3169 -5.3150 -5.3150 -5.3002 -5.3002 -5.2950 -5.2950 -5.2857 -5.2857 -5.2802 -5.2802 -0.0838 -0.0838 -0.0832 -0.0832 1.4519 1.4519 1.4756 1.4756 1.7335 1.7335 1.7587 1.7587 3.1230 3.1230 3.1240 3.1240 6.6075 6.6075 6.6263 6.6263 k = 0.0000 0.1612 0.3585 ( 4160 PWs) bands (ev): -8.4552 -8.4552 -8.4552 -8.4552 -6.0048 -6.0048 -6.0048 -6.0048 -5.9923 -5.9923 -5.9911 -5.9911 -5.3159 -5.3159 -5.3145 -5.3145 -5.3003 -5.3003 -5.2945 -5.2945 -5.2854 -5.2854 -5.2796 -5.2796 -0.0413 -0.0413 -0.0405 -0.0405 1.4368 1.4368 1.4616 1.4616 1.7056 1.7056 1.7320 1.7320 3.0833 3.0833 3.0845 3.0845 6.6741 6.6741 6.6934 6.6934 k = 0.0000 0.1466 0.3585 ( 4158 PWs) bands (ev): -8.4589 -8.4589 -8.4588 -8.4588 -6.0043 -6.0043 -6.0043 -6.0043 -5.9920 -5.9920 -5.9909 -5.9909 -5.3150 -5.3150 -5.3141 -5.3141 -5.3004 -5.3004 -5.2941 -5.2941 -5.2849 -5.2849 -5.2791 -5.2791 0.0005 0.0005 0.0014 0.0014 1.4228 1.4228 1.4487 1.4487 1.6776 1.6776 1.7049 1.7049 3.0466 3.0466 3.0481 3.0481 6.7360 6.7360 6.7554 6.7554 k = 0.0000 0.1319 0.3585 ( 4158 PWs) bands (ev): -8.4623 -8.4623 -8.4622 -8.4622 -6.0039 -6.0039 -6.0038 -6.0038 -5.9917 -5.9917 -5.9907 -5.9907 -5.3142 -5.3142 -5.3138 -5.3138 -5.3003 -5.3003 -5.2939 -5.2939 -5.2844 -5.2844 -5.2787 -5.2787 0.0412 0.0412 0.0421 0.0421 1.4102 1.4102 1.4370 1.4370 1.6496 1.6496 1.6777 1.6777 3.0130 3.0130 3.0146 3.0146 6.7930 6.7930 6.8120 6.8120 k = 0.0000 0.1173 0.3585 ( 4150 PWs) bands (ev): -8.4654 -8.4654 -8.4654 -8.4654 -6.0035 -6.0035 -6.0034 -6.0034 -5.9914 -5.9914 -5.9905 -5.9905 -5.3135 -5.3135 -5.3134 -5.3134 -5.3002 -5.3002 -5.2938 -5.2938 -5.2838 -5.2838 -5.2784 -5.2784 0.0801 0.0801 0.0811 0.0811 1.3991 1.3991 1.4265 1.4265 1.6221 1.6221 1.6508 1.6508 2.9828 2.9828 2.9844 2.9844 6.8447 6.8447 6.8630 6.8630 k = 0.0000 0.1026 0.3585 ( 4158 PWs) bands (ev): -8.4682 -8.4682 -8.4682 -8.4682 -6.0031 -6.0031 -6.0031 -6.0031 -5.9911 -5.9911 -5.9903 -5.9903 -5.3132 -5.3132 -5.3129 -5.3129 -5.3000 -5.3000 -5.2938 -5.2938 -5.2831 -5.2831 -5.2781 -5.2781 0.1168 0.1168 0.1178 0.1178 1.3895 1.3895 1.4173 1.4173 1.5956 1.5956 1.6245 1.6245 2.9559 2.9559 2.9575 2.9575 6.8909 6.8909 6.9080 6.9080 k = 0.0000 0.0880 0.3585 ( 4160 PWs) bands (ev): -8.4707 -8.4707 -8.4707 -8.4707 -6.0028 -6.0028 -6.0028 -6.0028 -5.9909 -5.9909 -5.9902 -5.9902 -5.3129 -5.3129 -5.3124 -5.3124 -5.2997 -5.2997 -5.2940 -5.2940 -5.2825 -5.2825 -5.2780 -5.2780 0.1505 0.1505 0.1515 0.1515 1.3817 1.3817 1.4093 1.4093 1.5707 1.5707 1.5993 1.5993 2.9324 2.9324 2.9340 2.9340 6.9314 6.9314 6.9469 6.9469 k = 0.0000 0.0733 0.3585 ( 4152 PWs) bands (ev): -8.4728 -8.4728 -8.4728 -8.4728 -6.0025 -6.0025 -6.0025 -6.0025 -5.9907 -5.9907 -5.9900 -5.9900 -5.3126 -5.3126 -5.3121 -5.3121 -5.2993 -5.2993 -5.2942 -5.2942 -5.2817 -5.2817 -5.2779 -5.2779 0.1808 0.1808 0.1817 0.1817 1.3757 1.3757 1.4023 1.4023 1.5483 1.5483 1.5757 1.5757 2.9125 2.9125 2.9139 2.9139 6.9661 6.9661 6.9795 6.9795 k = 0.0000 0.0586 0.3585 ( 4152 PWs) bands (ev): -8.4746 -8.4746 -8.4746 -8.4746 -6.0023 -6.0023 -6.0023 -6.0023 -5.9904 -5.9904 -5.9899 -5.9899 -5.3124 -5.3124 -5.3119 -5.3119 -5.2989 -5.2989 -5.2946 -5.2946 -5.2811 -5.2811 -5.2779 -5.2779 0.2068 0.2068 0.2076 0.2076 1.3717 1.3717 1.3962 1.3962 1.5292 1.5292 1.5542 1.5542 2.8962 2.8962 2.8974 2.8974 6.9949 6.9949 7.0060 7.0060 k = 0.0000 0.0440 0.3585 ( 4150 PWs) bands (ev): -8.4760 -8.4760 -8.4760 -8.4760 -6.0022 -6.0022 -6.0021 -6.0021 -5.9903 -5.9903 -5.9899 -5.9899 -5.3122 -5.3122 -5.3117 -5.3117 -5.2984 -5.2984 -5.2950 -5.2950 -5.2804 -5.2804 -5.2780 -5.2780 0.2279 0.2279 0.2286 0.2286 1.3698 1.3698 1.3906 1.3906 1.5144 1.5144 1.5355 1.5355 2.8835 2.8835 2.8844 2.8844 7.0176 7.0176 7.0262 7.0262 k = 0.0000 0.0293 0.3585 ( 4152 PWs) bands (ev): -8.4770 -8.4770 -8.4770 -8.4770 -6.0020 -6.0020 -6.0020 -6.0020 -5.9901 -5.9901 -5.9899 -5.9899 -5.3120 -5.3120 -5.3117 -5.3117 -5.2978 -5.2978 -5.2955 -5.2955 -5.2799 -5.2799 -5.2782 -5.2782 0.2435 0.2435 0.2440 0.2440 1.3700 1.3700 1.3852 1.3852 1.5046 1.5046 1.5201 1.5201 2.8745 2.8745 2.8751 2.8751 7.0343 7.0343 7.0402 7.0402 k = 0.0000 0.0147 0.3585 ( 4136 PWs) bands (ev): -8.4776 -8.4776 -8.4776 -8.4776 -6.0019 -6.0019 -6.0019 -6.0019 -5.9900 -5.9900 -5.9899 -5.9899 -5.3118 -5.3118 -5.3117 -5.3117 -5.2972 -5.2972 -5.2960 -5.2960 -5.2793 -5.2793 -5.2785 -5.2785 0.2532 0.2532 0.2534 0.2534 1.3720 1.3720 1.3801 1.3801 1.5005 1.5005 1.5087 1.5087 2.8691 2.8691 2.8694 2.8694 7.0450 7.0450 7.0479 7.0479 k = 0.0000 0.0000 0.3585 ( 4136 PWs) bands (ev): -8.4778 -8.4778 -8.4778 -8.4778 -6.0019 -6.0019 -6.0019 -6.0019 -5.9899 -5.9899 -5.9899 -5.9899 -5.3117 -5.3117 -5.3117 -5.3117 -5.2966 -5.2966 -5.2966 -5.2966 -5.2789 -5.2789 -5.2789 -5.2789 0.2565 0.2565 0.2565 0.2565 1.3756 1.3756 1.3756 1.3756 1.5020 1.5020 1.5020 1.5020 2.8674 2.8674 2.8674 2.8674 7.0495 7.0495 7.0495 7.0495 k = 0.0000 0.4984-0.0000 ( 4170 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0080 -6.0080 -6.0080 -6.0080 -6.0000 -6.0000 -6.0000 -6.0000 -5.3231 -5.3231 -5.3231 -5.3231 -5.3089 -5.3089 -5.3089 -5.3089 -5.2796 -5.2796 -5.2796 -5.2796 -0.3354 -0.3354 -0.3354 -0.3354 1.3253 1.3253 1.3253 1.3253 1.7750 1.7750 1.7750 1.7750 4.0448 4.0448 4.0448 4.0448 5.9203 5.9203 5.9203 5.9203 k = 0.0000 0.4984 0.0149 ( 4170 PWs) bands (ev): -8.3907 -8.3907 -8.3907 -8.3907 -6.0086 -6.0086 -6.0074 -6.0074 -6.0002 -6.0002 -5.9998 -5.9998 -5.3233 -5.3233 -5.3230 -5.3230 -5.3092 -5.3092 -5.3084 -5.3084 -5.2803 -5.2803 -5.2790 -5.2790 -0.3375 -0.3375 -0.3372 -0.3372 1.3283 1.3283 1.3289 1.3289 1.7747 1.7747 1.7755 1.7755 4.0448 4.0448 4.0453 4.0453 5.9164 5.9164 5.9210 5.9210 k = 0.0000 0.4984 0.0299 ( 4170 PWs) bands (ev): -8.3906 -8.3906 -8.3905 -8.3905 -6.0093 -6.0093 -6.0069 -6.0069 -6.0004 -6.0004 -5.9996 -5.9996 -5.3236 -5.3236 -5.3230 -5.3230 -5.3094 -5.3094 -5.3079 -5.3079 -5.2811 -5.2811 -5.2784 -5.2784 -0.3432 -0.3432 -0.3427 -0.3427 1.3377 1.3377 1.3391 1.3391 1.7745 1.7745 1.7762 1.7762 4.0453 4.0453 4.0462 4.0462 5.9093 5.9093 5.9184 5.9184 k = 0.0000 0.4984 0.0448 ( 4178 PWs) bands (ev): -8.3904 -8.3904 -8.3902 -8.3902 -6.0101 -6.0101 -6.0065 -6.0065 -6.0005 -6.0005 -5.9993 -5.9993 -5.3240 -5.3240 -5.3232 -5.3232 -5.3096 -5.3096 -5.3073 -5.3073 -5.2819 -5.2819 -5.2780 -5.2780 -0.3525 -0.3525 -0.3518 -0.3518 1.3534 1.3534 1.3554 1.3554 1.7745 1.7745 1.7772 1.7772 4.0463 4.0463 4.0477 4.0477 5.8988 5.8988 5.9120 5.9120 k = 0.0000 0.4984 0.0597 ( 4190 PWs) bands (ev): -8.3901 -8.3901 -8.3899 -8.3899 -6.0108 -6.0108 -6.0062 -6.0062 -6.0006 -6.0006 -5.9991 -5.9991 -5.3244 -5.3244 -5.3235 -5.3235 -5.3096 -5.3096 -5.3067 -5.3067 -5.2828 -5.2828 -5.2777 -5.2777 -0.3650 -0.3650 -0.3642 -0.3642 1.3748 1.3748 1.3777 1.3777 1.7747 1.7747 1.7783 1.7783 4.0479 4.0479 4.0497 4.0497 5.8843 5.8843 5.9012 5.9012 k = 0.0000 0.4984 0.0747 ( 4198 PWs) bands (ev): -8.3897 -8.3897 -8.3894 -8.3894 -6.0116 -6.0116 -6.0061 -6.0061 -6.0006 -6.0006 -5.9989 -5.9989 -5.3249 -5.3249 -5.3238 -5.3238 -5.3095 -5.3095 -5.3060 -5.3060 -5.2837 -5.2837 -5.2774 -5.2774 -0.3804 -0.3804 -0.3793 -0.3793 1.4015 1.4015 1.4052 1.4052 1.7750 1.7750 1.7797 1.7797 4.0501 4.0501 4.0524 4.0524 5.8653 5.8653 5.8853 5.8853 k = 0.0000 0.4984 0.0896 ( 4182 PWs) bands (ev): -8.3893 -8.3893 -8.3889 -8.3889 -6.0123 -6.0123 -6.0061 -6.0061 -6.0004 -6.0004 -5.9986 -5.9986 -5.3254 -5.3254 -5.3243 -5.3243 -5.3092 -5.3092 -5.3052 -5.3052 -5.2846 -5.2846 -5.2772 -5.2772 -0.3980 -0.3980 -0.3968 -0.3968 1.4328 1.4328 1.4375 1.4375 1.7754 1.7754 1.7814 1.7814 4.0531 4.0531 4.0558 4.0558 5.8412 5.8412 5.8634 5.8634 k = 0.0000 0.4984 0.1046 ( 4174 PWs) bands (ev): -8.3888 -8.3888 -8.3884 -8.3884 -6.0130 -6.0130 -6.0063 -6.0063 -6.0002 -6.0002 -5.9984 -5.9984 -5.3259 -5.3259 -5.3248 -5.3248 -5.3090 -5.3090 -5.3044 -5.3044 -5.2856 -5.2856 -5.2772 -5.2772 -0.4175 -0.4175 -0.4161 -0.4161 1.4679 1.4679 1.4739 1.4739 1.7760 1.7760 1.7834 1.7834 4.0569 4.0569 4.0601 4.0601 5.8115 5.8115 5.8348 5.8348 k = 0.0000 0.4984 0.1195 ( 4176 PWs) bands (ev): -8.3882 -8.3882 -8.3877 -8.3877 -6.0138 -6.0138 -6.0066 -6.0066 -6.0000 -6.0000 -5.9982 -5.9982 -5.3265 -5.3265 -5.3254 -5.3254 -5.3086 -5.3086 -5.3036 -5.3036 -5.2866 -5.2866 -5.2772 -5.2772 -0.4383 -0.4383 -0.4369 -0.4369 1.5061 1.5061 1.5136 1.5136 1.7767 1.7767 1.7858 1.7858 4.0616 4.0616 4.0653 4.0653 5.7757 5.7757 5.7990 5.7990 k = 0.0000 0.4984 0.1344 ( 4178 PWs) bands (ev): -8.3875 -8.3875 -8.3871 -8.3871 -6.0145 -6.0145 -6.0071 -6.0071 -5.9997 -5.9997 -5.9980 -5.9980 -5.3270 -5.3270 -5.3260 -5.3260 -5.3082 -5.3082 -5.3028 -5.3028 -5.2876 -5.2876 -5.2774 -5.2774 -0.4599 -0.4599 -0.4585 -0.4585 1.5464 1.5464 1.5559 1.5559 1.7775 1.7775 1.7889 1.7889 4.0674 4.0674 4.0717 4.0717 5.7337 5.7337 5.7558 5.7558 k = 0.0000 0.4984 0.1494 ( 4182 PWs) bands (ev): -8.3869 -8.3869 -8.3864 -8.3864 -6.0151 -6.0151 -6.0076 -6.0076 -5.9994 -5.9994 -5.9978 -5.9978 -5.3276 -5.3276 -5.3266 -5.3266 -5.3078 -5.3078 -5.3020 -5.3020 -5.2885 -5.2885 -5.2776 -5.2776 -0.4820 -0.4820 -0.4806 -0.4806 1.5877 1.5877 1.6000 1.6000 1.7784 1.7784 1.7928 1.7928 4.0745 4.0745 4.0792 4.0792 5.6858 5.6858 5.7056 5.7056 k = 0.0000 0.4984 0.1643 ( 4164 PWs) bands (ev): -8.3861 -8.3861 -8.3856 -8.3856 -6.0157 -6.0157 -6.0081 -6.0081 -5.9990 -5.9990 -5.9976 -5.9976 -5.3281 -5.3281 -5.3272 -5.3272 -5.3073 -5.3073 -5.3012 -5.3012 -5.2895 -5.2895 -5.2779 -5.2779 -0.5041 -0.5041 -0.5026 -0.5026 1.6289 1.6289 1.6452 1.6452 1.7796 1.7796 1.7982 1.7982 4.0830 4.0830 4.0882 4.0882 5.6323 5.6323 5.6492 5.6492 k = 0.0000 0.4984 0.1792 ( 4156 PWs) bands (ev): -8.3854 -8.3854 -8.3849 -8.3849 -6.0162 -6.0162 -6.0087 -6.0087 -5.9987 -5.9987 -5.9974 -5.9974 -5.3286 -5.3286 -5.3279 -5.3279 -5.3068 -5.3068 -5.3004 -5.3004 -5.2904 -5.2904 -5.2784 -5.2784 -0.5258 -0.5258 -0.5244 -0.5244 1.6680 1.6680 1.6905 1.6905 1.7811 1.7811 1.8060 1.8060 4.0930 4.0930 4.0987 4.0987 5.5742 5.5742 5.5877 5.5877 k = 0.0000 0.4984 0.1942 ( 4160 PWs) bands (ev): -8.3847 -8.3847 -8.3842 -8.3842 -6.0167 -6.0167 -6.0094 -6.0094 -5.9984 -5.9984 -5.9972 -5.9972 -5.3291 -5.3291 -5.3285 -5.3285 -5.3063 -5.3063 -5.2996 -5.2996 -5.2913 -5.2913 -5.2789 -5.2789 -0.5468 -0.5468 -0.5455 -0.5455 1.7025 1.7025 1.7343 1.7343 1.7839 1.7839 1.8182 1.8182 4.1047 4.1047 4.1108 4.1108 5.5123 5.5123 5.5223 5.5223 k = 0.0000 0.4984 0.2091 ( 4174 PWs) bands (ev): -8.3840 -8.3840 -8.3835 -8.3835 -6.0171 -6.0171 -6.0101 -6.0101 -5.9981 -5.9981 -5.9971 -5.9971 -5.3296 -5.3296 -5.3291 -5.3291 -5.3058 -5.3058 -5.2988 -5.2988 -5.2922 -5.2922 -5.2796 -5.2796 -0.5668 -0.5668 -0.5656 -0.5656 1.7293 1.7293 1.7682 1.7682 1.7957 1.7957 1.8371 1.8371 4.1181 4.1181 4.1247 4.1247 5.4479 5.4479 5.4545 5.4545 k = 0.0000 0.4984 0.2240 ( 4174 PWs) bands (ev): -8.3833 -8.3833 -8.3828 -8.3828 -6.0175 -6.0175 -6.0108 -6.0108 -5.9978 -5.9978 -5.9970 -5.9970 -5.3300 -5.3300 -5.3296 -5.3296 -5.3053 -5.3053 -5.2980 -5.2980 -5.2929 -5.2929 -5.2802 -5.2802 -0.5856 -0.5856 -0.5844 -0.5844 1.7473 1.7473 1.7774 1.7774 1.8304 1.8304 1.8631 1.8631 4.1333 4.1333 4.1402 4.1402 5.3820 5.3820 5.3856 5.3856 k = 0.0000 0.4984 0.2390 ( 4182 PWs) bands (ev): -8.3826 -8.3826 -8.3821 -8.3821 -6.0177 -6.0177 -6.0116 -6.0116 -5.9976 -5.9976 -5.9968 -5.9968 -5.3304 -5.3304 -5.3301 -5.3301 -5.3048 -5.3048 -5.2974 -5.2974 -5.2936 -5.2936 -5.2810 -5.2810 -0.6029 -0.6029 -0.6019 -0.6019 1.7585 1.7585 1.7797 1.7797 1.8697 1.8697 1.8935 1.8935 4.1502 4.1502 4.1574 4.1574 5.3161 5.3161 5.3170 5.3170 k = 0.0000 0.4984 0.2539 ( 4182 PWs) bands (ev): -8.3820 -8.3820 -8.3816 -8.3816 -6.0179 -6.0179 -6.0123 -6.0123 -5.9974 -5.9974 -5.9967 -5.9967 -5.3308 -5.3308 -5.3305 -5.3305 -5.3042 -5.3042 -5.2969 -5.2969 -5.2939 -5.2939 -5.2818 -5.2818 -0.6186 -0.6186 -0.6176 -0.6176 1.7656 1.7656 1.7810 1.7810 1.9072 1.9072 1.9249 1.9249 4.1686 4.1686 4.1760 4.1760 5.2502 5.2502 5.2515 5.2515 k = 0.0000 0.4984 0.2688 ( 4182 PWs) bands (ev): -8.3814 -8.3814 -8.3810 -8.3810 -6.0180 -6.0180 -6.0131 -6.0131 -5.9972 -5.9972 -5.9966 -5.9966 -5.3311 -5.3311 -5.3309 -5.3309 -5.3037 -5.3037 -5.2970 -5.2970 -5.2937 -5.2937 -5.2827 -5.2827 -0.6325 -0.6325 -0.6316 -0.6316 1.7704 1.7704 1.7817 1.7817 1.9413 1.9413 1.9549 1.9549 4.1883 4.1883 4.1956 4.1956 5.1866 5.1866 5.1895 5.1895 k = 0.0000 0.4984 0.2838 ( 4178 PWs) bands (ev): -8.3809 -8.3809 -8.3806 -8.3806 -6.0180 -6.0180 -6.0138 -6.0138 -5.9970 -5.9970 -5.9966 -5.9966 -5.3314 -5.3314 -5.3313 -5.3313 -5.3031 -5.3031 -5.2973 -5.2973 -5.2932 -5.2932 -5.2836 -5.2836 -0.6444 -0.6444 -0.6437 -0.6437 1.7738 1.7738 1.7823 1.7823 1.9715 1.9715 1.9820 1.9820 4.2085 4.2085 4.2156 4.2156 5.1278 5.1278 5.1318 5.1318 k = 0.0000 0.4984 0.2987 ( 4176 PWs) bands (ev): -8.3804 -8.3804 -8.3802 -8.3802 -6.0179 -6.0179 -6.0144 -6.0144 -5.9968 -5.9968 -5.9965 -5.9965 -5.3316 -5.3316 -5.3315 -5.3315 -5.3026 -5.3026 -5.2979 -5.2979 -5.2924 -5.2924 -5.2846 -5.2846 -0.6543 -0.6543 -0.6538 -0.6538 1.7763 1.7763 1.7826 1.7826 1.9972 1.9972 2.0051 2.0051 4.2285 4.2285 4.2349 4.2349 5.0756 5.0756 5.0800 5.0800 k = 0.0000 0.4984 0.3137 ( 4180 PWs) bands (ev): -8.3801 -8.3801 -8.3799 -8.3799 -6.0177 -6.0177 -6.0151 -6.0151 -5.9967 -5.9967 -5.9965 -5.9965 -5.3318 -5.3318 -5.3317 -5.3317 -5.3020 -5.3020 -5.2985 -5.2985 -5.2915 -5.2915 -5.2856 -5.2856 -0.6621 -0.6621 -0.6617 -0.6617 1.7783 1.7783 1.7827 1.7827 2.0178 2.0178 2.0235 2.0235 4.2468 4.2468 4.2523 4.2523 5.0320 5.0320 5.0361 5.0361 k = 0.0000 0.4984 0.3286 ( 4182 PWs) bands (ev): -8.3798 -8.3798 -8.3797 -8.3797 -6.0175 -6.0175 -6.0157 -6.0157 -5.9966 -5.9966 -5.9965 -5.9965 -5.3319 -5.3319 -5.3319 -5.3319 -5.3015 -5.3015 -5.2991 -5.2991 -5.2906 -5.2906 -5.2866 -5.2866 -0.6677 -0.6677 -0.6674 -0.6674 1.7798 1.7798 1.7826 1.7826 2.0331 2.0331 2.0368 2.0368 4.2622 4.2622 4.2661 4.2661 4.9990 4.9990 5.0022 5.0022 k = 0.0000 0.4984 0.3435 ( 4176 PWs) bands (ev): -8.3796 -8.3796 -8.3796 -8.3796 -6.0171 -6.0171 -6.0162 -6.0162 -5.9966 -5.9966 -5.9965 -5.9965 -5.3320 -5.3320 -5.3320 -5.3320 -5.3009 -5.3009 -5.2997 -5.2997 -5.2896 -5.2896 -5.2876 -5.2876 -0.6710 -0.6710 -0.6709 -0.6709 1.7809 1.7809 1.7823 1.7823 2.0427 2.0427 2.0445 2.0445 4.2727 4.2727 4.2748 4.2748 4.9786 4.9786 4.9804 4.9804 k = 0.0000 0.4984 0.3585 ( 4176 PWs) bands (ev): -8.3796 -8.3796 -8.3796 -8.3796 -6.0167 -6.0167 -6.0167 -6.0167 -5.9965 -5.9965 -5.9965 -5.9965 -5.3320 -5.3320 -5.3320 -5.3320 -5.3003 -5.3003 -5.3003 -5.3003 -5.2886 -5.2886 -5.2886 -5.2886 -0.6721 -0.6721 -0.6721 -0.6721 1.7818 1.7818 1.7818 1.7818 2.0465 2.0465 2.0465 2.0465 4.2771 4.2771 4.2771 4.2771 4.9722 4.9722 4.9722 4.9722 k = 0.5000-0.0000 0.3585 ( 4176 PWs) bands (ev): -8.3768 -8.3768 -8.3768 -8.3768 -6.0196 -6.0196 -6.0196 -6.0196 -5.9919 -5.9919 -5.9919 -5.9919 -5.3371 -5.3371 -5.3371 -5.3371 -5.2992 -5.2992 -5.2992 -5.2992 -5.2814 -5.2814 -5.2814 -5.2814 -0.6813 -0.6813 -0.6813 -0.6813 1.7430 1.7430 1.7430 1.7430 1.8821 1.8821 1.8821 1.8821 4.1058 4.1058 4.1058 4.1058 6.1146 6.1146 6.1146 6.1146 k = 0.5000-0.0000 0.3435 ( 4176 PWs) bands (ev): -8.3839 -8.3839 -8.3697 -8.3697 -6.0201 -6.0201 -6.0191 -6.0191 -5.9922 -5.9922 -5.9915 -5.9915 -5.3384 -5.3384 -5.3357 -5.3357 -5.3003 -5.3003 -5.2981 -5.2981 -5.2817 -5.2817 -5.2812 -5.2812 -0.7160 -0.7160 -0.6445 -0.6445 1.7042 1.7042 1.7798 1.7798 1.8693 1.8693 1.8953 1.8953 4.1055 4.1055 4.1072 4.1072 6.0392 6.0392 6.1798 6.1798 k = 0.5000-0.0000 0.3286 ( 4182 PWs) bands (ev): -8.3910 -8.3910 -8.3627 -8.3627 -6.0205 -6.0205 -6.0187 -6.0187 -5.9926 -5.9926 -5.9912 -5.9912 -5.3396 -5.3396 -5.3343 -5.3343 -5.3016 -5.3016 -5.2970 -5.2970 -5.2820 -5.2820 -5.2810 -5.2810 -0.7484 -0.7484 -0.6056 -0.6056 1.6638 1.6638 1.8134 1.8134 1.8573 1.8573 1.9089 1.9089 4.1064 4.1064 4.1097 4.1097 5.9555 5.9555 6.2331 6.2331 k = 0.5000-0.0000 0.3137 ( 4182 PWs) bands (ev): -8.3981 -8.3981 -8.3558 -8.3558 -6.0209 -6.0209 -6.0181 -6.0181 -5.9930 -5.9930 -5.9909 -5.9909 -5.3407 -5.3407 -5.3327 -5.3327 -5.3028 -5.3028 -5.2960 -5.2960 -5.2822 -5.2822 -5.2809 -5.2809 -0.7787 -0.7787 -0.5645 -0.5645 1.6225 1.6225 1.8351 1.8351 1.8545 1.8545 1.9228 1.9228 4.1083 4.1083 4.1132 4.1132 5.8663 5.8663 6.2742 6.2742 k = 0.5000-0.0000 0.2987 ( 4178 PWs) bands (ev): -8.4052 -8.4052 -8.3490 -8.3490 -6.0212 -6.0212 -6.0176 -6.0176 -5.9933 -5.9933 -5.9906 -5.9906 -5.3417 -5.3417 -5.3311 -5.3311 -5.3040 -5.3040 -5.2951 -5.2951 -5.2825 -5.2825 -5.2807 -5.2807 -0.8068 -0.8068 -0.5213 -0.5213 1.5805 1.5805 1.8279 1.8279 1.8771 1.8771 1.9371 1.9371 4.1111 4.1111 4.1176 4.1176 5.7742 5.7742 6.3034 6.3034 k = 0.5000-0.0000 0.2838 ( 4178 PWs) bands (ev): -8.4121 -8.4121 -8.3424 -8.3424 -6.0215 -6.0215 -6.0171 -6.0171 -5.9937 -5.9937 -5.9903 -5.9903 -5.3425 -5.3425 -5.3295 -5.3295 -5.3053 -5.3053 -5.2943 -5.2943 -5.2827 -5.2827 -5.2806 -5.2806 -0.8328 -0.8328 -0.4761 -0.4761 1.5382 1.5382 1.8163 1.8163 1.9004 1.9004 1.9519 1.9519 4.1144 4.1144 4.1226 4.1226 5.6820 5.6820 6.3217 6.3217 k = 0.5000-0.0000 0.2688 ( 4178 PWs) bands (ev): -8.4190 -8.4190 -8.3360 -8.3360 -6.0217 -6.0217 -6.0166 -6.0166 -5.9940 -5.9940 -5.9901 -5.9901 -5.3432 -5.3432 -5.3279 -5.3279 -5.3065 -5.3065 -5.2935 -5.2935 -5.2830 -5.2830 -5.2805 -5.2805 -0.8568 -0.8568 -0.4289 -0.4289 1.4961 1.4961 1.8045 1.8045 1.9200 1.9200 1.9668 1.9668 4.1180 4.1180 4.1281 4.1281 5.5923 5.5923 6.3309 6.3309 k = 0.5000-0.0000 0.2539 ( 4174 PWs) bands (ev): -8.4257 -8.4257 -8.3298 -8.3298 -6.0218 -6.0218 -6.0161 -6.0161 -5.9943 -5.9943 -5.9900 -5.9900 -5.3437 -5.3437 -5.3263 -5.3263 -5.3077 -5.3077 -5.2928 -5.2928 -5.2832 -5.2832 -5.2805 -5.2805 -0.8788 -0.8788 -0.3800 -0.3800 1.4544 1.4544 1.7928 1.7928 1.9360 1.9360 1.9810 1.9810 4.1211 4.1211 4.1337 4.1337 5.5078 5.5078 6.3324 6.3324 k = 0.5000-0.0000 0.2390 ( 4178 PWs) bands (ev): -8.4322 -8.4322 -8.3239 -8.3239 -6.0219 -6.0219 -6.0156 -6.0156 -5.9946 -5.9946 -5.9898 -5.9898 -5.3442 -5.3442 -5.3247 -5.3247 -5.3089 -5.3089 -5.2923 -5.2923 -5.2835 -5.2835 -5.2805 -5.2805 -0.8989 -0.8989 -0.3294 -0.3294 1.4135 1.4135 1.7815 1.7815 1.9489 1.9489 1.9936 1.9936 4.1230 4.1230 4.1393 4.1393 5.4308 5.4308 6.3279 6.3279 k = 0.5000-0.0000 0.2240 ( 4174 PWs) bands (ev): -8.4385 -8.4385 -8.3182 -8.3182 -6.0219 -6.0219 -6.0152 -6.0152 -5.9949 -5.9949 -5.9898 -5.9898 -5.3444 -5.3444 -5.3233 -5.3233 -5.3099 -5.3099 -5.2918 -5.2918 -5.2837 -5.2837 -5.2805 -5.2805 -0.9171 -0.9171 -0.2773 -0.2773 1.3736 1.3736 1.7706 1.7706 1.9590 1.9590 2.0038 2.0038 4.1224 4.1224 4.1450 4.1450 5.3636 5.3636 6.3190 6.3190 k = 0.5000-0.0000 0.2091 ( 4174 PWs) bands (ev): -8.4445 -8.4445 -8.3127 -8.3127 -6.0219 -6.0219 -6.0147 -6.0147 -5.9951 -5.9951 -5.9898 -5.9898 -5.3446 -5.3446 -5.3221 -5.3221 -5.3107 -5.3107 -5.2914 -5.2914 -5.2839 -5.2839 -5.2806 -5.2806 -0.9336 -0.9336 -0.2240 -0.2240 1.3350 1.3350 1.7602 1.7602 1.9662 1.9662 2.0116 2.0116 4.1183 4.1183 4.1508 4.1508 5.3082 5.3082 6.3067 6.3067 k = 0.5000-0.0000 0.1942 ( 4168 PWs) bands (ev): -8.4502 -8.4502 -8.3076 -8.3076 -6.0217 -6.0217 -6.0143 -6.0143 -5.9954 -5.9954 -5.9898 -5.9898 -5.3445 -5.3445 -5.3212 -5.3212 -5.3112 -5.3112 -5.2911 -5.2911 -5.2841 -5.2841 -5.2807 -5.2807 -0.9483 -0.9483 -0.1697 -0.1697 1.2979 1.2979 1.7502 1.7502 1.9698 1.9698 2.0176 2.0176 4.1098 4.1098 4.1567 4.1567 5.2663 5.2663 6.2923 6.2923 k = 0.5000-0.0000 0.1792 ( 4164 PWs) bands (ev): -8.4557 -8.4557 -8.3028 -8.3028 -6.0216 -6.0216 -6.0139 -6.0139 -5.9956 -5.9956 -5.9899 -5.9899 -5.3444 -5.3444 -5.3207 -5.3207 -5.3113 -5.3113 -5.2909 -5.2909 -5.2843 -5.2843 -5.2809 -5.2809 -0.9615 -0.9615 -0.1148 -0.1148 1.2625 1.2625 1.7408 1.7408 1.9689 1.9689 2.0227 2.0227 4.0965 4.0965 4.1624 4.1624 5.2390 5.2390 6.2765 6.2765 k = 0.5000-0.0000 0.1643 ( 4162 PWs) bands (ev): -8.4608 -8.4608 -8.2983 -8.2983 -6.0213 -6.0213 -6.0135 -6.0135 -5.9957 -5.9957 -5.9901 -5.9901 -5.3441 -5.3441 -5.3208 -5.3208 -5.3108 -5.3108 -5.2907 -5.2907 -5.2845 -5.2845 -5.2810 -5.2810 -0.9732 -0.9732 -0.0597 -0.0597 1.2292 1.2292 1.7320 1.7320 1.9628 1.9628 2.0278 2.0278 4.0785 4.0785 4.1680 4.1680 5.2266 5.2266 6.2601 6.2601 k = 0.5000-0.0000 0.1494 ( 4180 PWs) bands (ev): -8.4656 -8.4656 -8.2942 -8.2942 -6.0211 -6.0211 -6.0132 -6.0132 -5.9959 -5.9959 -5.9904 -5.9904 -5.3438 -5.3438 -5.3214 -5.3214 -5.3100 -5.3100 -5.2906 -5.2906 -5.2847 -5.2847 -5.2812 -5.2812 -0.9834 -0.9834 -0.0049 -0.0049 1.1980 1.1980 1.7239 1.7239 1.9516 1.9516 2.0330 2.0330 4.0566 4.0566 4.1733 4.1733 5.2287 5.2287 6.2436 6.2436 k = 0.5000-0.0000 0.1344 ( 4176 PWs) bands (ev): -8.4700 -8.4700 -8.2904 -8.2904 -6.0207 -6.0207 -6.0129 -6.0129 -5.9960 -5.9960 -5.9906 -5.9906 -5.3433 -5.3433 -5.3221 -5.3221 -5.3089 -5.3089 -5.2906 -5.2906 -5.2850 -5.2850 -5.2814 -5.2814 -0.9923 -0.9923 0.0491 0.0491 1.1693 1.1693 1.7164 1.7164 1.9360 1.9360 2.0383 2.0383 4.0320 4.0320 4.1783 4.1783 5.2441 5.2441 6.2273 6.2273 k = 0.5000-0.0000 0.1195 ( 4178 PWs) bands (ev): -8.4740 -8.4740 -8.2870 -8.2870 -6.0204 -6.0204 -6.0126 -6.0126 -5.9961 -5.9961 -5.9910 -5.9910 -5.3427 -5.3427 -5.3231 -5.3231 -5.3077 -5.3077 -5.2905 -5.2905 -5.2853 -5.2853 -5.2815 -5.2815 -1.0000 -1.0000 0.1016 0.1016 1.1430 1.1430 1.7096 1.7096 1.9167 1.9167 2.0433 2.0433 4.0060 4.0060 4.1828 4.1828 5.2715 5.2715 6.2116 6.2116 k = 0.5000-0.0000 0.1046 ( 4176 PWs) bands (ev): -8.4775 -8.4775 -8.2840 -8.2840 -6.0200 -6.0200 -6.0124 -6.0124 -5.9961 -5.9961 -5.9913 -5.9913 -5.3421 -5.3421 -5.3241 -5.3241 -5.3065 -5.3065 -5.2905 -5.2905 -5.2857 -5.2857 -5.2817 -5.2817 -1.0066 -1.0066 0.1517 0.1517 1.1195 1.1195 1.7035 1.7035 1.8950 1.8950 2.0481 2.0481 3.9800 3.9800 4.1869 4.1869 5.3091 5.3091 6.1962 6.1962 k = 0.5000-0.0000 0.0896 ( 4184 PWs) bands (ev): -8.4806 -8.4806 -8.2814 -8.2814 -6.0197 -6.0197 -6.0122 -6.0122 -5.9961 -5.9961 -5.9917 -5.9917 -5.3414 -5.3414 -5.3251 -5.3251 -5.3054 -5.3054 -5.2905 -5.2905 -5.2861 -5.2861 -5.2818 -5.2818 -1.0121 -1.0121 0.1986 0.1986 1.0988 1.0988 1.6982 1.6982 1.8720 1.8720 2.0523 2.0523 3.9554 3.9554 4.1905 4.1905 5.3553 5.3553 6.1805 6.1805 k = 0.5000-0.0000 0.0747 ( 4176 PWs) bands (ev): -8.4833 -8.4833 -8.2792 -8.2792 -6.0193 -6.0193 -6.0120 -6.0120 -5.9960 -5.9960 -5.9921 -5.9921 -5.3406 -5.3406 -5.3261 -5.3261 -5.3043 -5.3043 -5.2904 -5.2904 -5.2866 -5.2866 -5.2819 -5.2819 -1.0166 -1.0166 0.2412 0.2412 1.0810 1.0810 1.6937 1.6937 1.8489 1.8489 2.0560 2.0560 3.9332 3.9332 4.1935 4.1935 5.4080 5.4080 6.1620 6.1620 k = 0.5000-0.0000 0.0597 ( 4184 PWs) bands (ev): -8.4855 -8.4855 -8.2773 -8.2773 -6.0190 -6.0190 -6.0119 -6.0119 -5.9960 -5.9960 -5.9924 -5.9924 -5.3399 -5.3399 -5.3271 -5.3271 -5.3034 -5.3034 -5.2904 -5.2904 -5.2870 -5.2870 -5.2820 -5.2820 -1.0202 -1.0202 0.2783 0.2783 1.0664 1.0664 1.6901 1.6901 1.8273 1.8273 2.0590 2.0590 3.9141 3.9141 4.1960 4.1960 5.4655 5.4655 6.1322 6.1322 k = 0.5000-0.0000 0.0448 ( 4184 PWs) bands (ev): -8.4872 -8.4872 -8.2759 -8.2759 -6.0188 -6.0188 -6.0118 -6.0118 -5.9959 -5.9959 -5.9928 -5.9928 -5.3392 -5.3392 -5.3279 -5.3279 -5.3026 -5.3026 -5.2903 -5.2903 -5.2875 -5.2875 -5.2820 -5.2820 -1.0229 -1.0229 0.3088 0.3088 1.0549 1.0549 1.6872 1.6872 1.8086 1.8086 2.0615 2.0615 3.8987 3.8987 4.1979 4.1979 5.5251 5.5251 6.0815 6.0815 k = 0.5000-0.0000 0.0299 ( 4176 PWs) bands (ev): -8.4885 -8.4885 -8.2749 -8.2749 -6.0185 -6.0185 -6.0117 -6.0117 -5.9958 -5.9958 -5.9930 -5.9930 -5.3387 -5.3387 -5.3286 -5.3286 -5.3020 -5.3020 -5.2902 -5.2902 -5.2879 -5.2879 -5.2821 -5.2821 -1.0248 -1.0248 0.3315 0.3315 1.0466 1.0466 1.6851 1.6851 1.7940 1.7940 2.0632 2.0632 3.8875 3.8875 4.1993 4.1993 5.5824 5.5824 6.0217 6.0217 k = 0.5000-0.0000 0.0149 ( 4174 PWs) bands (ev): -8.4892 -8.4892 -8.2742 -8.2742 -6.0184 -6.0184 -6.0117 -6.0117 -5.9957 -5.9957 -5.9932 -5.9932 -5.3382 -5.3382 -5.3291 -5.3291 -5.3016 -5.3016 -5.2900 -5.2900 -5.2882 -5.2882 -5.2821 -5.2821 -1.0260 -1.0260 0.3456 0.3456 1.0417 1.0417 1.6839 1.6839 1.7848 1.7848 2.0642 2.0642 3.8807 3.8807 4.2001 4.2001 5.6286 5.6286 5.9717 5.9717 k = 0.5000-0.0000-0.0000 ( 4170 PWs) bands (ev): -8.4895 -8.4895 -8.2740 -8.2740 -6.0184 -6.0184 -6.0116 -6.0116 -5.9957 -5.9957 -5.9933 -5.9933 -5.3381 -5.3381 -5.3293 -5.3293 -5.3015 -5.3015 -5.2900 -5.2900 -5.2883 -5.2883 -5.2821 -5.2821 -1.0263 -1.0263 0.3504 0.3504 1.0400 1.0400 1.6835 1.6835 1.7816 1.7816 2.0646 2.0646 3.8784 3.8784 4.2004 4.2004 5.6478 5.6478 5.9511 5.9511 k = 0.5000 0.4984-0.0000 ( 4168 PWs) bands (ev): -8.3852 -8.3852 -8.3852 -8.3852 -6.0100 -6.0100 -6.0100 -6.0100 -5.9364 -5.9364 -5.9364 -5.9364 -5.3208 -5.3208 -5.3208 -5.3208 -5.2750 -5.2750 -5.2750 -5.2750 -5.2166 -5.2166 -5.2166 -5.2166 0.2240 0.2240 0.2240 0.2240 0.9609 0.9609 0.9609 0.9609 1.4953 1.4953 1.4953 1.4953 1.9817 1.9817 1.9817 1.9817 6.9622 6.9622 6.9622 6.9622 k = 0.5000 0.4984 0.0149 ( 4168 PWs) bands (ev): -8.3852 -8.3852 -8.3852 -8.3852 -6.0101 -6.0101 -6.0099 -6.0099 -5.9370 -5.9370 -5.9357 -5.9357 -5.3217 -5.3217 -5.3197 -5.3197 -5.2765 -5.2765 -5.2735 -5.2735 -5.2167 -5.2167 -5.2164 -5.2164 0.2247 0.2247 0.2252 0.2252 0.9546 0.9546 0.9593 0.9593 1.4874 1.4874 1.4989 1.4989 1.9844 1.9844 1.9908 1.9908 6.9599 6.9599 6.9655 6.9655 k = 0.5000 0.4984 0.0299 ( 4164 PWs) bands (ev): -8.3852 -8.3852 -8.3850 -8.3850 -6.0102 -6.0102 -6.0099 -6.0099 -5.9377 -5.9377 -5.9351 -5.9351 -5.3227 -5.3227 -5.3187 -5.3187 -5.2782 -5.2782 -5.2722 -5.2722 -5.2168 -5.2168 -5.2162 -5.2162 0.2273 0.2273 0.2283 0.2283 0.9411 0.9411 0.9499 0.9499 1.4761 1.4761 1.4976 1.4976 1.9991 1.9991 2.0109 2.0109 6.9586 6.9586 6.9696 6.9696 k = 0.5000 0.4984 0.0448 ( 4168 PWs) bands (ev): -8.3850 -8.3850 -8.3848 -8.3848 -6.0103 -6.0103 -6.0099 -6.0099 -5.9383 -5.9383 -5.9345 -5.9345 -5.3236 -5.3236 -5.3176 -5.3176 -5.2799 -5.2799 -5.2710 -5.2710 -5.2169 -5.2169 -5.2160 -5.2160 0.2318 0.2318 0.2332 0.2332 0.9211 0.9211 0.9333 0.9333 1.4622 1.4622 1.4915 1.4915 2.0249 2.0249 2.0406 2.0406 6.9582 6.9582 6.9746 6.9746 k = 0.5000 0.4984 0.0597 ( 4176 PWs) bands (ev): -8.3849 -8.3849 -8.3845 -8.3845 -6.0104 -6.0104 -6.0099 -6.0099 -5.9389 -5.9389 -5.9339 -5.9339 -5.3244 -5.3244 -5.3165 -5.3165 -5.2816 -5.2816 -5.2700 -5.2700 -5.2169 -5.2169 -5.2158 -5.2158 0.2381 0.2381 0.2400 0.2400 0.8959 0.8959 0.9106 0.9106 1.4461 1.4461 1.4807 1.4807 2.0604 2.0604 2.0783 2.0783 6.9587 6.9587 6.9803 6.9803 k = 0.5000 0.4984 0.0747 ( 4180 PWs) bands (ev): -8.3846 -8.3846 -8.3842 -8.3842 -6.0106 -6.0106 -6.0100 -6.0100 -5.9395 -5.9395 -5.9334 -5.9334 -5.3252 -5.3252 -5.3154 -5.3154 -5.2834 -5.2834 -5.2691 -5.2691 -5.2170 -5.2170 -5.2156 -5.2156 0.2463 0.2463 0.2486 0.2486 0.8666 0.8666 0.8830 0.8830 1.4281 1.4281 1.4659 1.4659 2.1036 2.1036 2.1226 2.1226 6.9601 6.9601 6.9865 6.9865 k = 0.5000 0.4984 0.0896 ( 4180 PWs) bands (ev): -8.3843 -8.3843 -8.3839 -8.3839 -6.0107 -6.0107 -6.0101 -6.0101 -5.9400 -5.9400 -5.9329 -5.9329 -5.3259 -5.3259 -5.3143 -5.3143 -5.2852 -5.2852 -5.2683 -5.2683 -5.2170 -5.2170 -5.2154 -5.2154 0.2562 0.2562 0.2591 0.2591 0.8344 0.8344 0.8518 0.8518 1.4084 1.4084 1.4476 1.4476 2.1530 2.1530 2.1720 2.1720 6.9622 6.9622 6.9931 6.9931 k = 0.5000 0.4984 0.1046 ( 4188 PWs) bands (ev): -8.3839 -8.3839 -8.3834 -8.3834 -6.0109 -6.0109 -6.0102 -6.0102 -5.9405 -5.9405 -5.9326 -5.9326 -5.3266 -5.3266 -5.3133 -5.3133 -5.2870 -5.2870 -5.2677 -5.2677 -5.2170 -5.2170 -5.2152 -5.2152 0.2680 0.2680 0.2712 0.2712 0.8004 0.8004 0.8182 0.8182 1.3869 1.3869 1.4263 1.4263 2.2069 2.2069 2.2254 2.2254 6.9650 6.9650 7.0000 7.0000 k = 0.5000 0.4984 0.1195 ( 4196 PWs) bands (ev): -8.3835 -8.3835 -8.3830 -8.3830 -6.0111 -6.0111 -6.0103 -6.0103 -5.9409 -5.9409 -5.9322 -5.9322 -5.3271 -5.3271 -5.3123 -5.3123 -5.2886 -5.2886 -5.2673 -5.2673 -5.2170 -5.2170 -5.2150 -5.2150 0.2814 0.2814 0.2851 0.2851 0.7654 0.7654 0.7832 0.7832 1.3636 1.3636 1.4025 1.4025 2.2639 2.2639 2.2815 2.2815 6.9683 6.9683 7.0068 7.0068 k = 0.5000 0.4984 0.1344 ( 4212 PWs) bands (ev): -8.3831 -8.3831 -8.3825 -8.3825 -6.0113 -6.0113 -6.0105 -6.0105 -5.9412 -5.9412 -5.9320 -5.9320 -5.3276 -5.3276 -5.3115 -5.3115 -5.2901 -5.2901 -5.2671 -5.2671 -5.2169 -5.2169 -5.2148 -5.2148 0.2966 0.2966 0.3006 0.3006 0.7303 0.7303 0.7477 0.7477 1.3386 1.3386 1.3764 1.3764 2.3230 2.3230 2.3395 2.3395 6.9721 6.9721 7.0136 7.0136 k = 0.5000 0.4984 0.1494 ( 4204 PWs) bands (ev): -8.3826 -8.3826 -8.3820 -8.3820 -6.0115 -6.0115 -6.0107 -6.0107 -5.9414 -5.9414 -5.9319 -5.9319 -5.3280 -5.3280 -5.3107 -5.3107 -5.2914 -5.2914 -5.2670 -5.2670 -5.2168 -5.2168 -5.2146 -5.2146 0.3132 0.3132 0.3176 0.3176 0.6956 0.6956 0.7125 0.7125 1.3120 1.3120 1.3484 1.3484 2.3831 2.3831 2.3984 2.3984 6.9762 6.9762 7.0200 7.0200 k = 0.5000 0.4984 0.1643 ( 4220 PWs) bands (ev): -8.3821 -8.3821 -8.3815 -8.3815 -6.0117 -6.0117 -6.0109 -6.0109 -5.9416 -5.9416 -5.9318 -5.9318 -5.3283 -5.3283 -5.3103 -5.3103 -5.2925 -5.2925 -5.2671 -5.2671 -5.2168 -5.2168 -5.2144 -5.2144 0.3314 0.3314 0.3360 0.3360 0.6618 0.6618 0.6782 0.6782 1.2839 1.2839 1.3187 1.3187 2.4433 2.4433 2.4575 2.4575 6.9804 6.9804 7.0260 7.0260 k = 0.5000 0.4984 0.1792 ( 4224 PWs) bands (ev): -8.3816 -8.3816 -8.3810 -8.3810 -6.0119 -6.0119 -6.0111 -6.0111 -5.9416 -5.9416 -5.9318 -5.9318 -5.3285 -5.3285 -5.3102 -5.3102 -5.2931 -5.2931 -5.2673 -5.2673 -5.2166 -5.2166 -5.2143 -5.2143 0.3509 0.3509 0.3557 0.3557 0.6295 0.6295 0.6453 0.6453 1.2546 1.2546 1.2876 1.2876 2.5028 2.5028 2.5159 2.5159 6.9849 6.9849 7.0313 7.0313 k = 0.5000 0.4984 0.1942 ( 4224 PWs) bands (ev): -8.3811 -8.3811 -8.3805 -8.3805 -6.0121 -6.0121 -6.0113 -6.0113 -5.9416 -5.9416 -5.9319 -5.9319 -5.3286 -5.3286 -5.3104 -5.3104 -5.2933 -5.2933 -5.2676 -5.2676 -5.2165 -5.2165 -5.2142 -5.2142 0.3716 0.3716 0.3763 0.3763 0.5989 0.5989 0.6142 0.6142 1.2242 1.2242 1.2555 1.2555 2.5609 2.5609 2.5728 2.5728 6.9893 6.9893 7.0359 7.0359 k = 0.5000 0.4984 0.2091 ( 4220 PWs) bands (ev): -8.3806 -8.3806 -8.3800 -8.3800 -6.0122 -6.0122 -6.0115 -6.0115 -5.9415 -5.9415 -5.9320 -5.9320 -5.3286 -5.3286 -5.3109 -5.3109 -5.2930 -5.2930 -5.2682 -5.2682 -5.2164 -5.2164 -5.2141 -5.2141 0.3933 0.3933 0.3977 0.3977 0.5705 0.5705 0.5855 0.5855 1.1930 1.1930 1.2226 1.2226 2.6169 2.6169 2.6277 2.6277 6.9937 6.9937 7.0397 7.0397 k = 0.5000 0.4984 0.2240 ( 4220 PWs) bands (ev): -8.3801 -8.3801 -8.3795 -8.3795 -6.0124 -6.0124 -6.0117 -6.0117 -5.9413 -5.9413 -5.9323 -5.9323 -5.3285 -5.3285 -5.3118 -5.3118 -5.2924 -5.2924 -5.2688 -5.2688 -5.2162 -5.2162 -5.2140 -5.2140 0.4156 0.4156 0.4191 0.4191 0.5446 0.5446 0.5598 0.5598 1.1615 1.1615 1.1892 1.1892 2.6701 2.6701 2.6798 2.6798 6.9981 6.9981 7.0427 7.0427 k = 0.5000 0.4984 0.2390 ( 4216 PWs) bands (ev): -8.3796 -8.3796 -8.3790 -8.3790 -6.0125 -6.0125 -6.0120 -6.0120 -5.9410 -5.9410 -5.9326 -5.9326 -5.3283 -5.3283 -5.3129 -5.3129 -5.2914 -5.2914 -5.2696 -5.2696 -5.2161 -5.2161 -5.2140 -5.2140 0.4377 0.4377 0.4393 0.4393 0.5219 0.5219 0.5383 0.5383 1.1299 1.1299 1.1558 1.1558 2.7199 2.7199 2.7285 2.7285 7.0024 7.0024 7.0447 7.0447 k = 0.5000 0.4984 0.2539 ( 4220 PWs) bands (ev): -8.3791 -8.3791 -8.3786 -8.3786 -6.0127 -6.0127 -6.0122 -6.0122 -5.9407 -5.9407 -5.9330 -5.9330 -5.3280 -5.3280 -5.3141 -5.3141 -5.2903 -5.2903 -5.2705 -5.2705 -5.2159 -5.2159 -5.2140 -5.2140 0.4551 0.4551 0.4572 0.4572 0.5049 0.5049 0.5241 0.5241 1.0988 1.0988 1.1227 1.1227 2.7655 2.7655 2.7731 2.7731 7.0067 7.0067 7.0459 7.0459 k = 0.5000 0.4984 0.2688 ( 4216 PWs) bands (ev): -8.3787 -8.3787 -8.3783 -8.3783 -6.0128 -6.0128 -6.0124 -6.0124 -5.9403 -5.9403 -5.9334 -5.9334 -5.3276 -5.3276 -5.3155 -5.3155 -5.2889 -5.2889 -5.2715 -5.2715 -5.2158 -5.2158 -5.2141 -5.2141 0.4598 0.4598 0.4636 0.4636 0.5036 0.5036 0.5234 0.5234 1.0688 1.0688 1.0905 1.0905 2.8066 2.8066 2.8131 2.8131 7.0108 7.0108 7.0462 7.0462 k = 0.5000 0.4984 0.2838 ( 4228 PWs) bands (ev): -8.3783 -8.3783 -8.3779 -8.3779 -6.0129 -6.0129 -6.0126 -6.0126 -5.9398 -5.9398 -5.9339 -5.9339 -5.3271 -5.3271 -5.3168 -5.3168 -5.2875 -5.2875 -5.2727 -5.2727 -5.2156 -5.2156 -5.2141 -5.2141 0.4535 0.4535 0.4546 0.4546 0.5199 0.5199 0.5357 0.5357 1.0405 1.0405 1.0599 1.0599 2.8424 2.8424 2.8479 2.8479 7.0149 7.0149 7.0456 7.0456 k = 0.5000 0.4984 0.2987 ( 4232 PWs) bands (ev): -8.3780 -8.3780 -8.3777 -8.3777 -6.0130 -6.0130 -6.0127 -6.0127 -5.9393 -5.9393 -5.9345 -5.9345 -5.3265 -5.3265 -5.3181 -5.3181 -5.2860 -5.2860 -5.2740 -5.2740 -5.2154 -5.2154 -5.2142 -5.2142 0.4434 0.4434 0.4438 0.4438 0.5400 0.5400 0.5525 0.5525 1.0150 1.0150 1.0316 1.0316 2.8725 2.8725 2.8769 2.8769 7.0189 7.0189 7.0444 7.0444 k = 0.5000 0.4984 0.3137 ( 4244 PWs) bands (ev): -8.3777 -8.3777 -8.3775 -8.3775 -6.0131 -6.0131 -6.0129 -6.0129 -5.9387 -5.9387 -5.9351 -5.9351 -5.3258 -5.3258 -5.3195 -5.3195 -5.2845 -5.2845 -5.2753 -5.2753 -5.2153 -5.2153 -5.2143 -5.2143 0.4340 0.4340 0.4347 0.4347 0.5590 0.5590 0.5688 0.5688 0.9934 0.9934 1.0068 1.0068 2.8966 2.8966 2.8999 2.8999 7.0228 7.0228 7.0424 7.0424 k = 0.5000 0.4984 0.3286 ( 4236 PWs) bands (ev): -8.3775 -8.3775 -8.3774 -8.3774 -6.0131 -6.0131 -6.0130 -6.0130 -5.9381 -5.9381 -5.9356 -5.9356 -5.3249 -5.3249 -5.3207 -5.3207 -5.2829 -5.2829 -5.2767 -5.2767 -5.2151 -5.2151 -5.2145 -5.2145 0.4271 0.4271 0.4278 0.4278 0.5749 0.5749 0.5818 0.5818 0.9771 0.9771 0.9866 0.9866 2.9142 2.9142 2.9164 2.9164 7.0266 7.0266 7.0400 7.0400 k = 0.5000 0.4984 0.3435 ( 4244 PWs) bands (ev): -8.3774 -8.3774 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9375 -5.9375 -5.9363 -5.9363 -5.3240 -5.3240 -5.3219 -5.3219 -5.2813 -5.2813 -5.2782 -5.2782 -5.2149 -5.2149 -5.2146 -5.2146 0.4230 0.4230 0.4233 0.4233 0.5861 0.5861 0.5897 0.5897 0.9677 0.9677 0.9726 0.9726 2.9251 2.9251 2.9262 2.9262 7.0303 7.0303 7.0371 7.0371 k = 0.5000 0.4984 0.3585 ( 4248 PWs) bands (ev): -8.3773 -8.3773 -8.3773 -8.3773 -6.0131 -6.0131 -6.0131 -6.0131 -5.9369 -5.9369 -5.9369 -5.9369 -5.3230 -5.3230 -5.3230 -5.3230 -5.2797 -5.2797 -5.2797 -5.2797 -5.2148 -5.2148 -5.2148 -5.2148 0.4217 0.4217 0.4217 0.4217 0.5913 0.5913 0.5913 0.5913 0.9661 0.9661 0.9661 0.9661 2.9291 2.9291 2.9291 2.9291 7.0338 7.0338 7.0338 7.0338 Writing output data file CdS.save init_run : 0.56s CPU 0.87s WALL ( 1 calls) electrons : 147.12s CPU 150.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 147.10s CPU 150.40s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 380 calls) cegterg : 135.52s CPU 137.41s WALL ( 524 calls) Called by sum_band: Called by *egterg: h_psi : 73.12s CPU 74.56s WALL ( 8933 calls) s_psi : 5.13s CPU 5.10s WALL ( 8933 calls) g_psi : 0.21s CPU 0.24s WALL ( 8029 calls) cdiaghg : 50.28s CPU 50.64s WALL ( 8409 calls) cegterg:over : 5.36s CPU 5.52s WALL ( 8029 calls) cegterg:upda : 5.05s CPU 5.36s WALL ( 8029 calls) cegterg:last : 2.23s CPU 2.28s WALL ( 1284 calls) cdiaghg:chol : 2.84s CPU 2.88s WALL ( 8409 calls) cdiaghg:inve : 1.52s CPU 1.72s WALL ( 8409 calls) cdiaghg:para : 2.99s CPU 2.92s WALL ( 16818 calls) Called by h_psi: h_psi:vloc : 61.29s CPU 62.66s WALL ( 8933 calls) h_psi:vnl : 11.64s CPU 11.68s WALL ( 8933 calls) add_vuspsi : 5.89s CPU 5.92s WALL ( 8933 calls) General routines calbec : 5.74s CPU 5.73s WALL ( 8933 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 53.42s CPU 54.37s WALL ( 761668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.27s WALL ( 760 calls) Parallel routines fft_scatter : 21.52s CPU 21.99s WALL ( 761691 calls) PWSCF : 2m43.55s CPU 3m14.61s WALL This run was terminated on: 16:57:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=