Program PWSCF v.5.4.0 starts on 28Mar2017 at 16:40:45 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ZnSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 30 8 2071 1081 162 Max 48 31 9 2076 1109 169 Sum 3397 2225 633 149245 78805 11837 bravais-lattice index = 14 lattice parameter (alat) = 12.4438 a.u. unit-cell volume = 1926.9207 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.443846 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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 Sb 5.00 121.76000 Sb( 1.00) Zn 12.00 65.40900 Zn( 1.00) 8 Sym. Ops. (no inversion) found ( 4 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,1] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [0,1,-1] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 5) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 7 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s( 7) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 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 2S4 7 8 inv. 90 deg rotation - cart. axis [-1,0,0] -2S4 -7 -8 inv. 90 deg rotation - cart. axis [-1,0,0] E C2 -C2 2 -2 180 deg rotation - cart. axis [1,0,0] 2C2' -2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,1] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] Cartesian axes number of k points= 245 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0040816 k( 3) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0040816 k( 4) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0040816 k( 5) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0040816 k( 6) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0040816 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0040816 k( 8) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0040816 k( 9) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0040816 k( 10) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0040816 k( 11) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0040816 k( 12) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0040816 k( 13) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0040816 k( 14) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0040816 k( 15) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0040816 k( 16) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0040816 k( 17) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0040816 k( 18) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0040816 k( 19) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0040816 k( 20) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0040816 k( 21) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0040816 k( 22) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0040816 k( 23) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0040816 k( 24) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0040816 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040816 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040816 k( 27) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0040816 k( 28) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0040816 k( 29) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0040816 k( 30) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0040816 k( 31) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0040816 k( 32) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0040816 k( 33) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0040816 k( 34) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0040816 k( 35) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0040816 k( 36) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0040816 k( 37) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0040816 k( 38) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0040816 k( 39) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0040816 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0040816 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0040816 k( 42) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0040816 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0040816 k( 44) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0040816 k( 45) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0040816 k( 46) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0040816 k( 47) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0040816 k( 48) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0040816 k( 49) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0040816 k( 50) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040816 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040816 k( 52) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0040816 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0040816 k( 54) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0040816 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0040816 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0040816 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0040816 k( 58) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0040816 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0040816 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0040816 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0040816 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0040816 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0040816 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0040816 k( 65) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0040816 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0040816 k( 67) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0040816 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0040816 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0040816 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0040816 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0040816 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0040816 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0040816 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0040816 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0040816 k( 76) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0040816 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0040816 k( 78) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0040816 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0040816 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0040816 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0040816 k( 82) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0040816 k( 83) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0040816 k( 84) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0040816 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 87) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0040816 k( 88) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040816 k( 89) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0040816 k( 90) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040816 k( 91) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0040816 k( 92) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040816 k( 93) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0040816 k( 94) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040816 k( 95) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0040816 k( 96) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040816 k( 97) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0040816 k( 98) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040816 k( 99) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0040816 k( 100) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040816 k( 101) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0040816 k( 102) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040816 k( 103) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0040816 k( 104) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040816 k( 105) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0040816 k( 106) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040816 k( 107) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0040816 k( 108) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040816 k( 109) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0040816 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 112) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0040816 k( 113) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0040816 k( 114) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0040816 k( 115) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0040816 k( 116) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0040816 k( 117) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0040816 k( 118) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0040816 k( 119) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0040816 k( 120) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0040816 k( 121) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0040816 k( 122) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0040816 k( 123) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0040816 k( 124) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0040816 k( 125) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0040816 k( 126) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0040816 k( 127) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0040816 k( 128) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0040816 k( 129) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0040816 k( 130) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0040816 k( 131) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0040816 k( 132) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0040816 k( 133) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0040816 k( 134) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0040816 k( 135) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 137) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0040816 k( 138) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0040816 k( 139) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0040816 k( 140) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0040816 k( 141) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0040816 k( 142) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0040816 k( 143) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0040816 k( 144) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0040816 k( 145) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0040816 k( 146) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0040816 k( 147) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0040816 k( 148) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0040816 k( 149) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0040816 k( 150) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0040816 k( 151) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0040816 k( 152) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0040816 k( 153) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0040816 k( 154) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0040816 k( 155) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0040816 k( 156) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0040816 k( 157) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0040816 k( 158) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0040816 k( 159) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0040816 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 162) = ( 0.4852941 0.4852941 0.5000000), wk = 0.0040816 k( 163) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0040816 k( 164) = ( 0.4558823 0.4558823 0.5000000), wk = 0.0040816 k( 165) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0040816 k( 166) = ( 0.4264706 0.4264706 0.5000000), wk = 0.0040816 k( 167) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0040816 k( 168) = ( 0.3970588 0.3970588 0.5000000), wk = 0.0040816 k( 169) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0040816 k( 170) = ( 0.3676471 0.3676471 0.5000000), wk = 0.0040816 k( 171) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0040816 k( 172) = ( 0.3382353 0.3382353 0.5000000), wk = 0.0040816 k( 173) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0040816 k( 174) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0040816 k( 175) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0040816 k( 176) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0040816 k( 177) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0040816 k( 178) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0040816 k( 179) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0040816 k( 180) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0040816 k( 181) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0040816 k( 182) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0040816 k( 183) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0040816 k( 184) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0040816 k( 185) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0040816 k( 186) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0040816 k( 187) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0040816 k( 188) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0040816 k( 189) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0040816 k( 190) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0040816 k( 191) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0040816 k( 192) = ( 0.0441177 0.0441176 0.5000000), wk = 0.0040816 k( 193) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0040816 k( 194) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0040816 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040816 k( 197) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0040816 k( 198) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0040816 k( 199) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0040816 k( 200) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0040816 k( 201) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0040816 k( 202) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0040816 k( 203) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0040816 k( 204) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0040816 k( 205) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0040816 k( 206) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0040816 k( 207) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0040816 k( 208) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0040816 k( 209) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0040816 k( 210) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0040816 k( 211) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0040816 k( 212) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0040816 k( 213) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0040816 k( 214) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0040816 k( 215) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0040816 k( 216) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0040816 k( 217) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0040816 k( 218) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0040816 k( 219) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0040816 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040816 k( 222) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0040816 k( 223) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0040816 k( 224) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040816 k( 225) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0040816 k( 226) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0040816 k( 227) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040816 k( 228) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0040816 k( 229) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0040816 k( 230) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040816 k( 231) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0040816 k( 232) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0040816 k( 233) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040816 k( 234) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0040816 k( 235) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0040816 k( 236) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040816 k( 237) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0040816 k( 238) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0040816 k( 239) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040816 k( 240) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0040816 k( 241) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0040816 k( 242) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040816 k( 243) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0040816 k( 244) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0040816 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0040816 k( 3) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0040816 k( 4) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0040816 k( 5) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0040816 k( 6) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0040816 k( 7) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0040816 k( 8) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0040816 k( 9) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0040816 k( 10) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0040816 k( 11) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0040816 k( 12) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0040816 k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0040816 k( 14) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0040816 k( 15) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0040816 k( 16) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0040816 k( 17) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0040816 k( 18) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0040816 k( 19) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0040816 k( 20) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0040816 k( 21) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0040816 k( 22) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0040816 k( 23) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0040816 k( 24) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0040816 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040816 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040816 k( 27) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0040816 k( 28) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0040816 k( 29) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0040816 k( 30) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0040816 k( 31) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0040816 k( 32) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0040816 k( 33) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0040816 k( 34) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0040816 k( 35) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0040816 k( 36) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0040816 k( 37) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0040816 k( 38) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0040816 k( 39) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0040816 k( 40) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0040816 k( 41) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0040816 k( 42) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0040816 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0040816 k( 44) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0040816 k( 45) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0040816 k( 46) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0040816 k( 47) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0040816 k( 48) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0040816 k( 49) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0040816 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040816 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040816 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0040816 k( 53) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0040816 k( 54) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0040816 k( 55) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0040816 k( 56) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0040816 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0040816 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0040816 k( 59) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0040816 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0040816 k( 61) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0040816 k( 62) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0040816 k( 63) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0040816 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0040816 k( 65) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0040816 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0040816 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0040816 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0040816 k( 69) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0040816 k( 70) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0040816 k( 71) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0040816 k( 72) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0040816 k( 73) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0040816 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0040816 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0040816 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0040816 k( 77) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0040816 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0040816 k( 79) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0040816 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0040816 k( 81) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0040816 k( 82) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0040816 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0040816 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0040816 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 87) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0040816 k( 88) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040816 k( 89) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0040816 k( 90) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040816 k( 91) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0040816 k( 92) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040816 k( 93) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0040816 k( 94) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040816 k( 95) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0040816 k( 96) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040816 k( 97) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0040816 k( 98) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040816 k( 99) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0040816 k( 100) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040816 k( 101) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0040816 k( 102) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040816 k( 103) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0040816 k( 104) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040816 k( 105) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0040816 k( 106) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040816 k( 107) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0040816 k( 108) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040816 k( 109) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0040816 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 112) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0040816 k( 113) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0040816 k( 114) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0040816 k( 115) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0040816 k( 116) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0040816 k( 117) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0040816 k( 118) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0040816 k( 119) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0040816 k( 120) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0040816 k( 121) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0040816 k( 122) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0040816 k( 123) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0040816 k( 124) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0040816 k( 125) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0040816 k( 126) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0040816 k( 127) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0040816 k( 128) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0040816 k( 129) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0040816 k( 130) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0040816 k( 131) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0040816 k( 132) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0040816 k( 133) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0040816 k( 134) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0040816 k( 135) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 137) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0040816 k( 138) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0040816 k( 139) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0040816 k( 140) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0040816 k( 141) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0040816 k( 142) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0040816 k( 143) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0040816 k( 144) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0040816 k( 145) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0040816 k( 146) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0040816 k( 147) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0040816 k( 148) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0040816 k( 149) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0040816 k( 150) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0040816 k( 151) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0040816 k( 152) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0040816 k( 153) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0040816 k( 154) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0040816 k( 155) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0040816 k( 156) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0040816 k( 157) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0040816 k( 158) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0040816 k( 159) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0040816 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 162) = ( 0.4852941 0.4852941 0.5000000), wk = 0.0040816 k( 163) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0040816 k( 164) = ( 0.4558823 0.4558823 0.5000000), wk = 0.0040816 k( 165) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0040816 k( 166) = ( 0.4264706 0.4264706 0.5000000), wk = 0.0040816 k( 167) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0040816 k( 168) = ( 0.3970588 0.3970588 0.5000000), wk = 0.0040816 k( 169) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0040816 k( 170) = ( 0.3676471 0.3676471 0.5000000), wk = 0.0040816 k( 171) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0040816 k( 172) = ( 0.3382353 0.3382353 0.5000000), wk = 0.0040816 k( 173) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0040816 k( 174) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0040816 k( 175) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0040816 k( 176) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0040816 k( 177) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0040816 k( 178) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0040816 k( 179) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0040816 k( 180) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0040816 k( 181) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0040816 k( 182) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0040816 k( 183) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0040816 k( 184) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0040816 k( 185) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0040816 k( 186) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0040816 k( 187) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0040816 k( 188) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0040816 k( 189) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0040816 k( 190) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0040816 k( 191) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0040816 k( 192) = ( 0.0441177 0.0441177 0.5000000), wk = 0.0040816 k( 193) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0040816 k( 194) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0040816 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040816 k( 197) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0040816 k( 198) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0040816 k( 199) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0040816 k( 200) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0040816 k( 201) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0040816 k( 202) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0040816 k( 203) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0040816 k( 204) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0040816 k( 205) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0040816 k( 206) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0040816 k( 207) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0040816 k( 208) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0040816 k( 209) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0040816 k( 210) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0040816 k( 211) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0040816 k( 212) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0040816 k( 213) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0040816 k( 214) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0040816 k( 215) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0040816 k( 216) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0040816 k( 217) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0040816 k( 218) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0040816 k( 219) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0040816 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 221) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040816 k( 222) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0040816 k( 223) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0040816 k( 224) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040816 k( 225) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0040816 k( 226) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0040816 k( 227) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040816 k( 228) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0040816 k( 229) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0040816 k( 230) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040816 k( 231) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0040816 k( 232) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0040816 k( 233) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040816 k( 234) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0040816 k( 235) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0040816 k( 236) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040816 k( 237) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0040816 k( 238) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0040816 k( 239) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040816 k( 240) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0040816 k( 241) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0040816 k( 242) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040816 k( 243) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0040816 k( 244) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0040816 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 Dense grid: 149245 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 78805 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 288, 52) NL pseudopotentials 0.45 Mb ( 144, 204) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2073) G-vector shells 0.00 Mb ( 547) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 288, 208) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.32 Mb ( 204, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnSb2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.6 secs Computing kpt #: 8 total cpu time spent up to now is 10.5 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.8 secs Computing kpt #: 17 total cpu time spent up to now is 18.6 secs Computing kpt #: 18 total cpu time spent up to now is 19.6 secs Computing kpt #: 19 total cpu time spent up to now is 20.6 secs Computing kpt #: 20 total cpu time spent up to now is 21.8 secs Computing kpt #: 21 total cpu time spent up to now is 22.6 secs Computing kpt #: 22 total cpu time spent up to now is 23.5 secs Computing kpt #: 23 total cpu time spent up to now is 24.4 secs Computing kpt #: 24 total cpu time spent up to now is 25.3 secs Computing kpt #: 25 total cpu time spent up to now is 26.2 secs Computing kpt #: 26 total cpu time spent up to now is 27.1 secs Computing kpt #: 27 total cpu time spent up to now is 28.0 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 29.8 secs Computing kpt #: 30 total cpu time spent up to now is 30.7 secs Computing kpt #: 31 total cpu time spent up to now is 31.6 secs Computing kpt #: 32 total cpu time spent up to now is 32.4 secs Computing kpt #: 33 total cpu time spent up to now is 33.4 secs Computing kpt #: 34 total cpu time spent up to now is 34.2 secs Computing kpt #: 35 total cpu time spent up to now is 35.1 secs Computing kpt #: 36 total cpu time spent up to now is 37.1 secs Computing kpt #: 37 total cpu time spent up to now is 37.9 secs Computing kpt #: 38 total cpu time spent up to now is 38.9 secs Computing kpt #: 39 total cpu time spent up to now is 39.8 secs Computing kpt #: 40 total cpu time spent up to now is 40.7 secs Computing kpt #: 41 total cpu time spent up to now is 41.6 secs Computing kpt #: 42 total cpu time spent up to now is 42.6 secs Computing kpt #: 43 total cpu time spent up to now is 43.6 secs Computing kpt #: 44 total cpu time spent up to now is 44.5 secs Computing kpt #: 45 total cpu time spent up to now is 45.4 secs Computing kpt #: 46 total cpu time spent up to now is 46.4 secs Computing kpt #: 47 total cpu time spent up to now is 47.4 secs Computing kpt #: 48 total cpu time spent up to now is 48.3 secs Computing kpt #: 49 total cpu time spent up to now is 49.3 secs Computing kpt #: 50 total cpu time spent up to now is 50.2 secs Computing kpt #: 51 total cpu time spent up to now is 51.2 secs Computing kpt #: 52 total cpu time spent up to now is 52.2 secs Computing kpt #: 53 total cpu time spent up to now is 53.2 secs Computing kpt #: 54 total cpu time spent up to now is 54.1 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 56.0 secs Computing kpt #: 57 total cpu time spent up to now is 57.0 secs Computing kpt #: 58 total cpu time spent up to now is 58.0 secs Computing kpt #: 59 total cpu time spent up to now is 58.9 secs Computing kpt #: 60 total cpu time spent up to now is 59.8 secs Computing kpt #: 61 total cpu time spent up to now is 60.8 secs Computing kpt #: 62 total cpu time spent up to now is 61.7 secs Computing kpt #: 63 total cpu time spent up to now is 62.6 secs Computing kpt #: 64 total cpu time spent up to now is 63.6 secs Computing kpt #: 65 total cpu time spent up to now is 64.5 secs Computing kpt #: 66 total cpu time spent up to now is 65.4 secs Computing kpt #: 67 total cpu time spent up to now is 66.3 secs Computing kpt #: 68 total cpu time spent up to now is 67.2 secs Computing kpt #: 69 total cpu time spent up to now is 68.1 secs Computing kpt #: 70 total cpu time spent up to now is 69.1 secs Computing kpt #: 71 total cpu time spent up to now is 70.0 secs Computing kpt #: 72 total cpu time spent up to now is 70.9 secs Computing kpt #: 73 total cpu time spent up to now is 71.8 secs Computing kpt #: 74 total cpu time spent up to now is 72.7 secs Computing kpt #: 75 total cpu time spent up to now is 74.0 secs Computing kpt #: 76 total cpu time spent up to now is 74.9 secs Computing kpt #: 77 total cpu time spent up to now is 75.8 secs Computing kpt #: 78 total cpu time spent up to now is 76.8 secs Computing kpt #: 79 total cpu time spent up to now is 77.6 secs Computing kpt #: 80 total cpu time spent up to now is 78.6 secs Computing kpt #: 81 total cpu time spent up to now is 79.5 secs Computing kpt #: 82 total cpu time spent up to now is 80.4 secs Computing kpt #: 83 total cpu time spent up to now is 81.2 secs Computing kpt #: 84 total cpu time spent up to now is 82.1 secs Computing kpt #: 85 total cpu time spent up to now is 83.0 secs Computing kpt #: 86 total cpu time spent up to now is 83.9 secs Computing kpt #: 87 total cpu time spent up to now is 84.8 secs Computing kpt #: 88 total cpu time spent up to now is 85.7 secs Computing kpt #: 89 total cpu time spent up to now is 86.6 secs Computing kpt #: 90 total cpu time spent up to now is 87.5 secs Computing kpt #: 91 total cpu time spent up to now is 88.4 secs Computing kpt #: 92 total cpu time spent up to now is 89.4 secs Computing kpt #: 93 total cpu time spent up to now is 90.3 secs Computing kpt #: 94 total cpu time spent up to now is 91.2 secs Computing kpt #: 95 total cpu time spent up to now is 92.1 secs Computing kpt #: 96 total cpu time spent up to now is 93.0 secs Computing kpt #: 97 total cpu time spent up to now is 93.9 secs Computing kpt #: 98 total cpu time spent up to now is 94.8 secs Computing kpt #: 99 total cpu time spent up to now is 95.7 secs Computing kpt #: 100 total cpu time spent up to now is 96.9 secs Computing kpt #: 101 total cpu time spent up to now is 97.8 secs Computing kpt #: 102 total cpu time spent up to now is 98.6 secs Computing kpt #: 103 total cpu time spent up to now is 99.6 secs Computing kpt #: 104 total cpu time spent up to now is 100.4 secs Computing kpt #: 105 total cpu time spent up to now is 101.4 secs Computing kpt #: 106 total cpu time spent up to now is 102.2 secs Computing kpt #: 107 total cpu time spent up to now is 103.2 secs Computing kpt #: 108 total cpu time spent up to now is 104.0 secs Computing kpt #: 109 total cpu time spent up to now is 104.9 secs Computing kpt #: 110 total cpu time spent up to now is 105.8 secs Computing kpt #: 111 total cpu time spent up to now is 106.7 secs Computing kpt #: 112 total cpu time spent up to now is 107.6 secs Computing kpt #: 113 total cpu time spent up to now is 108.5 secs Computing kpt #: 114 total cpu time spent up to now is 109.4 secs Computing kpt #: 115 total cpu time spent up to now is 110.2 secs Computing kpt #: 116 total cpu time spent up to now is 111.1 secs Computing kpt #: 117 total cpu time spent up to now is 112.0 secs Computing kpt #: 118 total cpu time spent up to now is 112.9 secs Computing kpt #: 119 total cpu time spent up to now is 113.8 secs Computing kpt #: 120 total cpu time spent up to now is 114.8 secs Computing kpt #: 121 total cpu time spent up to now is 115.6 secs Computing kpt #: 122 total cpu time spent up to now is 116.5 secs Computing kpt #: 123 total cpu time spent up to now is 117.4 secs Computing kpt #: 124 total cpu time spent up to now is 118.2 secs Computing kpt #: 125 total cpu time spent up to now is 119.1 secs Computing kpt #: 126 total cpu time spent up to now is 120.0 secs Computing kpt #: 127 total cpu time spent up to now is 120.8 secs Computing kpt #: 128 total cpu time spent up to now is 121.7 secs Computing kpt #: 129 total cpu time spent up to now is 122.6 secs Computing kpt #: 130 total cpu time spent up to now is 123.5 secs Computing kpt #: 131 total cpu time spent up to now is 124.4 secs Computing kpt #: 132 total cpu time spent up to now is 125.2 secs Computing kpt #: 133 total cpu time spent up to now is 126.1 secs Computing kpt #: 134 total cpu time spent up to now is 127.5 secs Computing kpt #: 135 total cpu time spent up to now is 128.4 secs Computing kpt #: 136 total cpu time spent up to now is 129.3 secs Computing kpt #: 137 total cpu time spent up to now is 130.2 secs Computing kpt #: 138 total cpu time spent up to now is 131.0 secs Computing kpt #: 139 total cpu time spent up to now is 132.0 secs Computing kpt #: 140 total cpu time spent up to now is 132.8 secs Computing kpt #: 141 total cpu time spent up to now is 133.7 secs Computing kpt #: 142 total cpu time spent up to now is 134.6 secs Computing kpt #: 143 total cpu time spent up to now is 135.5 secs Computing kpt #: 144 total cpu time spent up to now is 136.4 secs Computing kpt #: 145 total cpu time spent up to now is 137.3 secs Computing kpt #: 146 total cpu time spent up to now is 138.2 secs Computing kpt #: 147 total cpu time spent up to now is 139.0 secs Computing kpt #: 148 total cpu time spent up to now is 139.9 secs Computing kpt #: 149 total cpu time spent up to now is 140.8 secs Computing kpt #: 150 total cpu time spent up to now is 141.7 secs Computing kpt #: 151 total cpu time spent up to now is 142.8 secs Computing kpt #: 152 total cpu time spent up to now is 143.9 secs Computing kpt #: 153 total cpu time spent up to now is 144.8 secs Computing kpt #: 154 total cpu time spent up to now is 145.6 secs Computing kpt #: 155 total cpu time spent up to now is 146.5 secs Computing kpt #: 156 total cpu time spent up to now is 147.3 secs Computing kpt #: 157 total cpu time spent up to now is 148.2 secs Computing kpt #: 158 total cpu time spent up to now is 149.0 secs Computing kpt #: 159 total cpu time spent up to now is 149.8 secs Computing kpt #: 160 total cpu time spent up to now is 150.6 secs Computing kpt #: 161 total cpu time spent up to now is 151.4 secs Computing kpt #: 162 total cpu time spent up to now is 152.3 secs Computing kpt #: 163 total cpu time spent up to now is 153.1 secs Computing kpt #: 164 total cpu time spent up to now is 153.9 secs Computing kpt #: 165 total cpu time spent up to now is 154.8 secs Computing kpt #: 166 total cpu time spent up to now is 155.6 secs Computing kpt #: 167 total cpu time spent up to now is 156.5 secs Computing kpt #: 168 total cpu time spent up to now is 157.5 secs Computing kpt #: 169 total cpu time spent up to now is 158.3 secs Computing kpt #: 170 total cpu time spent up to now is 159.2 secs Computing kpt #: 171 total cpu time spent up to now is 160.1 secs Computing kpt #: 172 total cpu time spent up to now is 160.9 secs Computing kpt #: 173 total cpu time spent up to now is 161.8 secs Computing kpt #: 174 total cpu time spent up to now is 162.8 secs Computing kpt #: 175 total cpu time spent up to now is 163.7 secs Computing kpt #: 176 total cpu time spent up to now is 164.6 secs Computing kpt #: 177 total cpu time spent up to now is 165.5 secs Computing kpt #: 178 total cpu time spent up to now is 166.4 secs Computing kpt #: 179 total cpu time spent up to now is 167.3 secs Computing kpt #: 180 total cpu time spent up to now is 168.2 secs Computing kpt #: 181 total cpu time spent up to now is 169.1 secs Computing kpt #: 182 total cpu time spent up to now is 170.0 secs Computing kpt #: 183 total cpu time spent up to now is 170.9 secs Computing kpt #: 184 total cpu time spent up to now is 171.7 secs Computing kpt #: 185 total cpu time spent up to now is 172.6 secs Computing kpt #: 186 total cpu time spent up to now is 173.5 secs Computing kpt #: 187 total cpu time spent up to now is 174.4 secs Computing kpt #: 188 total cpu time spent up to now is 175.3 secs Computing kpt #: 189 total cpu time spent up to now is 176.2 secs Computing kpt #: 190 total cpu time spent up to now is 177.1 secs Computing kpt #: 191 total cpu time spent up to now is 178.0 secs Computing kpt #: 192 total cpu time spent up to now is 179.0 secs Computing kpt #: 193 total cpu time spent up to now is 179.8 secs Computing kpt #: 194 total cpu time spent up to now is 180.7 secs Computing kpt #: 195 total cpu time spent up to now is 181.6 secs Computing kpt #: 196 total cpu time spent up to now is 182.5 secs Computing kpt #: 197 total cpu time spent up to now is 183.4 secs Computing kpt #: 198 total cpu time spent up to now is 184.3 secs Computing kpt #: 199 total cpu time spent up to now is 185.2 secs Computing kpt #: 200 total cpu time spent up to now is 186.1 secs Computing kpt #: 201 total cpu time spent up to now is 187.0 secs Computing kpt #: 202 total cpu time spent up to now is 187.9 secs Computing kpt #: 203 total cpu time spent up to now is 188.8 secs Computing kpt #: 204 total cpu time spent up to now is 189.6 secs Computing kpt #: 205 total cpu time spent up to now is 190.5 secs Computing kpt #: 206 total cpu time spent up to now is 191.4 secs Computing kpt #: 207 total cpu time spent up to now is 192.3 secs Computing kpt #: 208 total cpu time spent up to now is 193.1 secs Computing kpt #: 209 total cpu time spent up to now is 194.0 secs Computing kpt #: 210 total cpu time spent up to now is 194.9 secs Computing kpt #: 211 total cpu time spent up to now is 195.8 secs Computing kpt #: 212 total cpu time spent up to now is 196.6 secs Computing kpt #: 213 total cpu time spent up to now is 197.5 secs Computing kpt #: 214 total cpu time spent up to now is 198.4 secs Computing kpt #: 215 total cpu time spent up to now is 199.2 secs Computing kpt #: 216 total cpu time spent up to now is 200.1 secs Computing kpt #: 217 total cpu time spent up to now is 201.0 secs Computing kpt #: 218 total cpu time spent up to now is 201.9 secs Computing kpt #: 219 total cpu time spent up to now is 202.8 secs Computing kpt #: 220 total cpu time spent up to now is 203.6 secs Computing kpt #: 221 total cpu time spent up to now is 204.6 secs Computing kpt #: 222 total cpu time spent up to now is 205.6 secs Computing kpt #: 223 total cpu time spent up to now is 206.5 secs Computing kpt #: 224 total cpu time spent up to now is 207.6 secs Computing kpt #: 225 total cpu time spent up to now is 208.7 secs Computing kpt #: 226 total cpu time spent up to now is 209.6 secs Computing kpt #: 227 total cpu time spent up to now is 210.6 secs Computing kpt #: 228 total cpu time spent up to now is 211.6 secs Computing kpt #: 229 total cpu time spent up to now is 212.7 secs Computing kpt #: 230 total cpu time spent up to now is 213.7 secs Computing kpt #: 231 total cpu time spent up to now is 214.7 secs Computing kpt #: 232 total cpu time spent up to now is 215.7 secs Computing kpt #: 233 total cpu time spent up to now is 216.6 secs Computing kpt #: 234 total cpu time spent up to now is 217.5 secs Computing kpt #: 235 total cpu time spent up to now is 218.4 secs Computing kpt #: 236 total cpu time spent up to now is 219.3 secs Computing kpt #: 237 total cpu time spent up to now is 220.2 secs Computing kpt #: 238 total cpu time spent up to now is 221.0 secs Computing kpt #: 239 total cpu time spent up to now is 221.9 secs Computing kpt #: 240 total cpu time spent up to now is 222.8 secs Computing kpt #: 241 total cpu time spent up to now is 223.6 secs Computing kpt #: 242 total cpu time spent up to now is 224.4 secs Computing kpt #: 243 total cpu time spent up to now is 225.3 secs Computing kpt #: 244 total cpu time spent up to now is 226.1 secs Computing kpt #: 245 total cpu time spent up to now is 227.0 secs ethr = 2.27E-08, avg # of iterations = 16.8 total cpu time spent up to now is 227.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9795 PWs) bands (ev): -7.9711 -7.9711 -7.4375 -7.4375 -6.1273 -6.1273 -6.1100 -6.1100 -5.2527 -5.2527 -5.2448 -5.2448 -5.1702 -5.1702 -5.1093 -5.1093 -4.9201 -4.9201 -4.8962 -4.8962 -4.8822 -4.8822 -4.8325 -4.8325 -4.7690 -4.7690 -4.7194 -4.7194 -2.5960 -2.5960 -1.0676 -1.0676 -0.4898 -0.4898 0.0977 0.0977 0.3149 0.3149 0.4461 0.4461 0.9433 0.9433 1.6307 1.6307 1.6858 1.6858 1.7952 1.7952 2.0577 2.0577 3.9234 3.9234 k = 0.0000 0.0208-0.0000 ( 9799 PWs) bands (ev): -7.9704 -7.9704 -7.4378 -7.4377 -6.1277 -6.1277 -6.1109 -6.1100 -5.2536 -5.2517 -5.2448 -5.2448 -5.1716 -5.1690 -5.1096 -5.1093 -4.9207 -4.9194 -4.8963 -4.8961 -4.8823 -4.8821 -4.8332 -4.8318 -4.7693 -4.7690 -4.7210 -4.7183 -2.5945 -2.5934 -1.0771 -1.0656 -0.4908 -0.4876 0.0704 0.1286 0.3132 0.3182 0.4274 0.4691 0.9322 0.9508 1.6115 1.6302 1.6731 1.7130 1.7795 1.8110 2.0352 2.0855 3.9202 3.9237 k = 0.0000 0.0417-0.0000 ( 9807 PWs) bands (ev): -7.9684 -7.9683 -7.4388 -7.4385 -6.1289 -6.1288 -6.1126 -6.1108 -5.2544 -5.2506 -5.2447 -5.2446 -5.1731 -5.1680 -5.1102 -5.1096 -4.9211 -4.9186 -4.8963 -4.8960 -4.8823 -4.8820 -4.8339 -4.8312 -4.7700 -4.7694 -4.7230 -4.7179 -2.5889 -2.5866 -1.0936 -1.0710 -0.4905 -0.4843 0.0466 0.1626 0.3112 0.3244 0.4151 0.4953 0.9170 0.9549 1.5815 1.6170 1.6707 1.7385 1.7721 1.8247 2.0192 2.1168 3.9142 3.9211 k = 0.0000 0.0625-0.0000 ( 9819 PWs) bands (ev): -7.9650 -7.9649 -7.4403 -7.4398 -6.1309 -6.1309 -6.1150 -6.1125 -5.2550 -5.2496 -5.2445 -5.2444 -5.1749 -5.1673 -5.1112 -5.1102 -4.9214 -4.9176 -4.8964 -4.8958 -4.8824 -4.8818 -4.8346 -4.8305 -4.7713 -4.7700 -4.7254 -4.7181 -2.5793 -2.5758 -1.1164 -1.0837 -0.4888 -0.4800 0.0264 0.1992 0.3071 0.3341 0.4105 0.5239 0.8969 0.9552 1.5521 1.5959 1.6705 1.7406 1.7900 1.8360 2.0102 2.1495 3.9057 3.9156 k = 0.0000 0.0833-0.0000 ( 9819 PWs) bands (ev): -7.9603 -7.9601 -7.4424 -7.4418 -6.1339 -6.1335 -6.1180 -6.1150 -5.2555 -5.2486 -5.2441 -5.2439 -5.1767 -5.1668 -5.1124 -5.1112 -4.9214 -4.9165 -4.8964 -4.8957 -4.8823 -4.8816 -4.8354 -4.8299 -4.7730 -4.7709 -4.7280 -4.7189 -2.5658 -2.5610 -1.1445 -1.1028 -0.4859 -0.4748 0.0094 0.2362 0.3016 0.3470 0.4137 0.5542 0.8709 0.9509 1.5281 1.5706 1.6705 1.7350 1.8145 1.8454 2.0085 2.1814 3.8949 3.9074 k = 0.0000 0.1042-0.0000 ( 9819 PWs) bands (ev): -7.9542 -7.9540 -7.4451 -7.4444 -6.1377 -6.1369 -6.1214 -6.1183 -5.2559 -5.2478 -5.2438 -5.2431 -5.1787 -5.1664 -5.1139 -5.1125 -4.9213 -4.9153 -4.8964 -4.8955 -4.8823 -4.8813 -4.8361 -4.8293 -4.7753 -4.7719 -4.7306 -4.7202 -2.5487 -2.5426 -1.1770 -1.1277 -0.4817 -0.4689 -0.0044 0.2643 0.3050 0.3625 0.4226 0.5859 0.8386 0.9409 1.5118 1.5453 1.6704 1.7310 1.8336 1.8534 2.0144 2.2108 3.8819 3.8964 k = 0.0000 0.1250-0.0000 ( 9811 PWs) bands (ev): -7.9468 -7.9466 -7.4485 -7.4477 -6.1425 -6.1409 -6.1253 -6.1222 -5.2561 -5.2472 -5.2434 -5.2420 -5.1807 -5.1663 -5.1157 -5.1141 -4.9210 -4.9141 -4.8964 -4.8953 -4.8822 -4.8810 -4.8369 -4.8289 -4.7781 -4.7731 -4.7331 -4.7221 -2.5282 -2.5206 -1.2129 -1.1572 -0.4762 -0.4626 -0.0149 0.2666 0.3349 0.3795 0.4348 0.6186 0.7997 0.9239 1.5041 1.5240 1.6705 1.7287 1.8459 1.8608 2.0272 2.2365 3.8667 3.8827 k = 0.0000 0.1458-0.0000 ( 9811 PWs) bands (ev): -7.9382 -7.9379 -7.4527 -7.4518 -6.1479 -6.1455 -6.1294 -6.1267 -5.2562 -5.2467 -5.2430 -5.2406 -5.1827 -5.1664 -5.1177 -5.1160 -4.9205 -4.9128 -4.8964 -4.8951 -4.8821 -4.8807 -4.8378 -4.8286 -4.7812 -4.7744 -4.7355 -4.7243 -2.5045 -2.4953 -1.2514 -1.1904 -0.4695 -0.4561 -0.0221 0.2598 0.3749 0.3967 0.4484 0.6521 0.7548 0.8993 1.5047 1.5091 1.6714 1.7278 1.8523 1.8683 2.0451 2.2576 3.8492 3.8658 k = 0.0000 0.1667-0.0000 ( 9815 PWs) bands (ev): -7.9283 -7.9280 -7.4576 -7.4566 -6.1541 -6.1507 -6.1339 -6.1316 -5.2561 -5.2463 -5.2426 -5.2391 -5.1847 -5.1666 -5.1200 -5.1183 -4.9198 -4.9114 -4.8964 -4.8949 -4.8819 -4.8803 -4.8386 -4.8286 -4.7845 -4.7758 -4.7378 -4.7270 -2.4781 -2.4671 -1.2916 -1.2264 -0.4616 -0.4496 -0.0258 0.2530 0.4126 0.4159 0.4621 0.6857 0.7055 0.8673 1.5011 1.5118 1.6743 1.7283 1.8549 1.8766 2.0665 2.2739 3.8288 3.8456 k = 0.0000 0.1875-0.0000 ( 9815 PWs) bands (ev): -7.9173 -7.9170 -7.4632 -7.4622 -6.1606 -6.1564 -6.1387 -6.1369 -5.2558 -5.2459 -5.2421 -5.2376 -5.1865 -5.1670 -5.1225 -5.1207 -4.9190 -4.9101 -4.8963 -4.8947 -4.8817 -4.8799 -4.8396 -4.8290 -4.7877 -4.7772 -4.7398 -4.7299 -2.4492 -2.4362 -1.3329 -1.2644 -0.4525 -0.4432 -0.0257 0.2479 0.4256 0.4528 0.4777 0.6522 0.7208 0.8291 1.4987 1.5220 1.6812 1.7305 1.8557 1.8863 2.0901 2.2855 3.8049 3.8214 k = 0.0000 0.2083-0.0000 ( 9827 PWs) bands (ev): -7.9051 -7.9047 -7.4698 -7.4687 -6.1675 -6.1624 -6.1438 -6.1425 -5.2554 -5.2455 -5.2416 -5.2361 -5.1882 -5.1675 -5.1252 -5.1235 -4.9181 -4.9087 -4.8963 -4.8944 -4.8815 -4.8795 -4.8406 -4.8299 -4.7905 -4.7786 -4.7418 -4.7330 -2.4182 -2.4031 -1.3748 -1.3037 -0.4423 -0.4370 -0.0218 0.2450 0.4329 0.4706 0.5080 0.5995 0.7554 0.7873 1.4986 1.5310 1.6947 1.7354 1.8562 1.8983 2.1158 2.2931 3.7768 3.7929 k = 0.0000 0.2292-0.0000 ( 9831 PWs) bands (ev): -7.8918 -7.8915 -7.4772 -7.4761 -6.1744 -6.1687 -6.1492 -6.1483 -5.2549 -5.2451 -5.2412 -5.2346 -5.1897 -5.1680 -5.1281 -5.1265 -4.9170 -4.9073 -4.8963 -4.8942 -4.8812 -4.8790 -4.8418 -4.8314 -4.7927 -4.7799 -4.7437 -4.7363 -2.3853 -2.3679 -1.4167 -1.3438 -0.4309 -0.4308 -0.0139 0.2445 0.4292 0.4731 0.5471 0.5527 0.7450 0.7904 1.4970 1.5348 1.7161 1.7443 1.8573 1.9136 2.1441 2.2976 3.7438 3.7596 k = 0.0000 0.2500-0.0000 ( 9807 PWs) bands (ev): -7.8775 -7.8772 -7.4856 -7.4845 -6.1812 -6.1751 -6.1547 -6.1543 -5.2542 -5.2446 -5.2407 -5.2333 -5.1908 -5.1686 -5.1311 -5.1297 -4.9157 -4.9060 -4.8963 -4.8940 -4.8808 -4.8784 -4.8430 -4.8336 -4.7940 -4.7810 -4.7455 -4.7396 -2.3510 -2.3310 -1.4585 -1.3842 -0.4248 -0.4181 -0.0023 0.2463 0.4052 0.4657 0.5214 0.5866 0.7063 0.8256 1.4906 1.5321 1.7438 1.7575 1.8597 1.9330 2.1760 2.3005 3.7055 3.7214 k = 0.0000 0.2708-0.0000 ( 9831 PWs) bands (ev): -7.8623 -7.8620 -7.4950 -7.4939 -6.1878 -6.1814 -6.1605 -6.1603 -5.2534 -5.2441 -5.2402 -5.2322 -5.1916 -5.1693 -5.1342 -5.1330 -4.9144 -4.9047 -4.8963 -4.8938 -4.8805 -4.8777 -4.8443 -4.8364 -4.7945 -4.7820 -4.7474 -4.7430 -2.3156 -2.2928 -1.4998 -1.4247 -0.4183 -0.4039 0.0130 0.2498 0.3605 0.4476 0.5068 0.6238 0.6765 0.8609 1.4775 1.5234 1.7742 1.7744 1.8635 1.9574 2.2127 2.3040 3.6617 3.6783 k = 0.0000 0.2917-0.0000 ( 9838 PWs) bands (ev): -7.8462 -7.8459 -7.5054 -7.5043 -6.1940 -6.1874 -6.1664 -6.1663 -5.2525 -5.2436 -5.2398 -5.2314 -5.1919 -5.1699 -5.1375 -5.1365 -4.9131 -4.9034 -4.8963 -4.8936 -4.8800 -4.8770 -4.8457 -4.8396 -4.7943 -4.7828 -4.7494 -4.7464 -2.2793 -2.2535 -1.5405 -1.4649 -0.4110 -0.3883 0.0315 0.2537 0.3055 0.4200 0.4990 0.6377 0.6778 0.8964 1.4576 1.5100 1.7929 1.8032 1.8687 1.9858 2.2554 2.3113 3.6127 3.6303 k = 0.0000 0.3125-0.0000 ( 9826 PWs) bands (ev): -7.8294 -7.8290 -7.5168 -7.5158 -6.1996 -6.1931 -6.1723 -6.1723 -5.2514 -5.2430 -5.2394 -5.2308 -5.1917 -5.1704 -5.1409 -5.1399 -4.9116 -4.9022 -4.8964 -4.8934 -4.8795 -4.8762 -4.8473 -4.8431 -4.7934 -4.7834 -4.7514 -4.7497 -2.2424 -2.2135 -1.5804 -1.5049 -0.4025 -0.3709 0.0528 0.2474 0.2547 0.3882 0.4915 0.6242 0.7130 0.9321 1.4318 1.4929 1.8110 1.8290 1.8751 2.0146 2.3050 2.3265 3.5588 3.5779 k = 0.0000 0.3333-0.0000 ( 9838 PWs) bands (ev): -7.8118 -7.8115 -7.5292 -7.5282 -6.2046 -6.1982 -6.1781 -6.1781 -5.2504 -5.2424 -5.2391 -5.2306 -5.1910 -5.1708 -5.1444 -5.1434 -4.9102 -4.9010 -4.8965 -4.8933 -4.8789 -4.8753 -4.8490 -4.8467 -4.7920 -4.7836 -4.7535 -4.7530 -2.2052 -2.1730 -1.6195 -1.5444 -0.3924 -0.3516 0.0761 0.1894 0.2452 0.3630 0.4823 0.6105 0.7522 0.9678 1.4012 1.4727 1.8271 1.8515 1.8821 2.0382 2.3543 2.3615 3.5004 3.5212 k = 0.0000 0.3542-0.0000 ( 9830 PWs) bands (ev): -7.7937 -7.7934 -7.5426 -7.5417 -6.2089 -6.2027 -6.1839 -6.1838 -5.2492 -5.2417 -5.2389 -5.2307 -5.1898 -5.1711 -5.1479 -5.1469 -4.9087 -4.8999 -4.8967 -4.8932 -4.8782 -4.8743 -4.8507 -4.8502 -4.7903 -4.7836 -4.7563 -4.7556 -2.1678 -2.1322 -1.6579 -1.5836 -0.3801 -0.3301 0.0963 0.1375 0.2176 0.3549 0.4703 0.5977 0.7921 1.0035 1.3668 1.4501 1.8409 1.8714 1.8890 2.0526 2.3971 2.4244 3.4381 3.4609 k = 0.0000 0.3750-0.0000 ( 9830 PWs) bands (ev): -7.7751 -7.7748 -7.5569 -7.5562 -6.2123 -6.2065 -6.1895 -6.1892 -5.2480 -5.2410 -5.2388 -5.2311 -5.1882 -5.1712 -5.1514 -5.1502 -4.9073 -4.8989 -4.8970 -4.8932 -4.8774 -4.8732 -4.8535 -4.8525 -4.7883 -4.7833 -4.7594 -4.7579 -2.1305 -2.0914 -1.6955 -1.6223 -0.3654 -0.3064 0.0678 0.1377 0.1758 0.3616 0.4556 0.5845 0.8324 1.0392 1.3296 1.4254 1.8525 1.8896 1.8948 2.0571 2.4540 2.4930 3.3721 3.3970 k = 0.0000 0.3958-0.0000 ( 9842 PWs) bands (ev): -7.7561 -7.7558 -7.5722 -7.5715 -6.2148 -6.2095 -6.1948 -6.1942 -5.2468 -5.2403 -5.2389 -5.2316 -5.1862 -5.1711 -5.1549 -5.1534 -4.9059 -4.8980 -4.8973 -4.8932 -4.8765 -4.8720 -4.8567 -4.8544 -4.7861 -4.7827 -4.7624 -4.7603 -2.0934 -2.0506 -1.7325 -1.6608 -0.3479 -0.2801 0.0158 0.1280 0.1647 0.3759 0.4380 0.5704 0.8730 1.0747 1.2904 1.3988 1.8625 1.8992 1.9069 2.0538 2.5214 2.5660 3.3029 3.3300 k = 0.0000 0.4167-0.0000 ( 9838 PWs) bands (ev): -7.7368 -7.7366 -7.5883 -7.5878 -6.2165 -6.2116 -6.1998 -6.1988 -5.2456 -5.2395 -5.2391 -5.2324 -5.1838 -5.1707 -5.1585 -5.1564 -4.9046 -4.8977 -4.8972 -4.8933 -4.8754 -4.8706 -4.8597 -4.8564 -4.7837 -4.7817 -4.7653 -4.7628 -2.0565 -2.0102 -1.7690 -1.6990 -0.3272 -0.2511 -0.0352 0.0785 0.1944 0.3942 0.4178 0.5548 0.9140 1.1100 1.2497 1.3707 1.8713 1.9019 1.9236 2.0453 2.5959 2.6422 3.2307 3.2602 k = 0.0000 0.4375-0.0000 ( 9838 PWs) bands (ev): -7.7174 -7.7173 -7.6053 -7.6048 -6.2172 -6.2129 -6.2043 -6.2029 -5.2444 -5.2394 -5.2387 -5.2332 -5.1812 -5.1700 -5.1620 -5.1593 -4.9034 -4.8982 -4.8964 -4.8935 -4.8742 -4.8691 -4.8625 -4.8583 -4.7811 -4.7805 -4.7681 -4.7653 -2.0200 -1.9701 -1.8050 -1.7371 -0.3031 -0.2194 -0.0836 0.0295 0.2248 0.3950 0.4145 0.5378 0.9553 1.1449 1.2081 1.3413 1.8790 1.9028 1.9401 2.0335 2.6746 2.7205 3.1559 3.1879 k = 0.0000 0.4583-0.0000 ( 9866 PWs) bands (ev): -7.6979 -7.6979 -7.6228 -7.6225 -6.2171 -6.2132 -6.2082 -6.2064 -5.2433 -5.2399 -5.2378 -5.2341 -5.1784 -5.1690 -5.1655 -5.1618 -4.9023 -4.8988 -4.8957 -4.8938 -4.8728 -4.8676 -4.8650 -4.8603 -4.7791 -4.7786 -4.7707 -4.7679 -1.9837 -1.9304 -1.8408 -1.7753 -0.2756 -0.1847 -0.1290 -0.0181 0.2553 0.3701 0.4358 0.5193 0.9970 1.1659 1.1794 1.3107 1.8858 1.9021 1.9565 2.0197 2.7555 2.7998 3.0787 3.1132 k = 0.0000 0.4792-0.0000 ( 9874 PWs) bands (ev): -7.6787 -7.6786 -7.6410 -7.6408 -6.2160 -6.2127 -6.2116 -6.2093 -5.2423 -5.2406 -5.2369 -5.2350 -5.1753 -5.1689 -5.1677 -5.1641 -4.9013 -4.8995 -4.8951 -4.8941 -4.8711 -4.8673 -4.8659 -4.8622 -4.7773 -4.7759 -4.7731 -4.7706 -1.9478 -1.8911 -1.8764 -1.8136 -0.2444 -0.1710 -0.1472 -0.0637 0.2856 0.3433 0.4574 0.4996 1.0389 1.1236 1.2133 1.2791 1.8916 1.8998 1.9728 2.0046 2.8373 2.8794 2.9996 3.0367 k = 0.0000 0.5000-0.0000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0000 0.5000-0.0000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0208 0.5000-0.0000 ( 9862 PWs) bands (ev): -7.6596 -7.6595 -7.6595 -7.6594 -6.2146 -6.2139 -6.2117 -6.2113 -5.2419 -5.2408 -5.2374 -5.2344 -5.1729 -5.1715 -5.1686 -5.1636 -4.9013 -4.8993 -4.8949 -4.8942 -4.8701 -4.8686 -4.8642 -4.8639 -4.7757 -4.7751 -4.7747 -4.7720 -1.9126 -1.9110 -1.8535 -1.8505 -0.2191 -0.2020 -0.1197 -0.0966 0.3089 0.3224 0.4672 0.4923 1.0780 1.0820 1.2432 1.2478 1.8914 1.9000 1.9855 1.9912 2.9173 2.9244 2.9563 2.9656 k = 0.0417 0.5000-0.0000 ( 9860 PWs) bands (ev): -7.6593 -7.6592 -7.6592 -7.6590 -6.2153 -6.2138 -6.2122 -6.2113 -5.2422 -5.2402 -5.2387 -5.2328 -5.1736 -5.1712 -5.1710 -5.1613 -4.9023 -4.8982 -4.8952 -4.8937 -4.8708 -4.8678 -4.8643 -4.8637 -4.7763 -4.7763 -4.7752 -4.7709 -1.9127 -1.9095 -1.8546 -1.8487 -0.2304 -0.1970 -0.1350 -0.0896 0.3043 0.3305 0.4577 0.5070 1.0723 1.0806 1.2378 1.2468 1.8860 1.9024 1.9811 1.9928 2.9195 2.9336 2.9590 2.9770 k = 0.0625 0.5000-0.0000 ( 9854 PWs) bands (ev): -7.6589 -7.6587 -7.6586 -7.6585 -6.2161 -6.2139 -6.2130 -6.2116 -5.2425 -5.2400 -5.2394 -5.2312 -5.1745 -5.1739 -5.1707 -5.1591 -4.9031 -4.8970 -4.8953 -4.8931 -4.8716 -4.8671 -4.8643 -4.8635 -4.7781 -4.7770 -4.7754 -4.7701 -1.9122 -1.9075 -1.8553 -1.8466 -0.2429 -0.1948 -0.1522 -0.0860 0.3017 0.3388 0.4508 0.5225 1.0640 1.0771 1.2302 1.2436 1.8804 1.9034 1.9758 1.9937 2.9258 2.9462 2.9667 2.9925 k = 0.0833 0.5000-0.0000 ( 9842 PWs) bands (ev): -7.6582 -7.6581 -7.6579 -7.6578 -6.2171 -6.2141 -6.2138 -6.2120 -5.2427 -5.2411 -5.2386 -5.2294 -5.1766 -5.1754 -5.1704 -5.1570 -4.9038 -4.8958 -4.8954 -4.8924 -4.8723 -4.8664 -4.8643 -4.8632 -4.7800 -4.7780 -4.7759 -4.7695 -1.9113 -1.9051 -1.8558 -1.8443 -0.2563 -0.1954 -0.1707 -0.0859 0.3012 0.3471 0.4465 0.5382 1.0530 1.0715 1.2204 1.2381 1.8754 1.9031 1.9699 1.9944 2.9359 2.9620 2.9792 3.0115 k = 0.1042 0.5000-0.0000 ( 9836 PWs) bands (ev): -7.6574 -7.6572 -7.6570 -7.6569 -6.2182 -6.2149 -6.2146 -6.2126 -5.2427 -5.2421 -5.2377 -5.2277 -5.1793 -5.1763 -5.1703 -5.1551 -4.9045 -4.8954 -4.8945 -4.8917 -4.8731 -4.8657 -4.8643 -4.8629 -4.7820 -4.7790 -4.7766 -4.7691 -1.9099 -1.9023 -1.8559 -1.8419 -0.2700 -0.1989 -0.1901 -0.0892 0.3030 0.3549 0.4448 0.5538 1.0391 1.0638 1.2086 1.2302 1.8716 1.9020 1.9638 1.9951 2.9498 2.9809 2.9964 3.0336 k = 0.1250 0.5000-0.0000 ( 9828 PWs) bands (ev): -7.6564 -7.6562 -7.6559 -7.6558 -6.2195 -6.2161 -6.2152 -6.2134 -5.2430 -5.2427 -5.2367 -5.2260 -5.1820 -5.1772 -5.1703 -5.1534 -4.9051 -4.8954 -4.8933 -4.8910 -4.8737 -4.8650 -4.8642 -4.8625 -4.7842 -4.7802 -4.7775 -4.7690 -1.9079 -1.8991 -1.8557 -1.8394 -0.2838 -0.2101 -0.2051 -0.0956 0.3069 0.3619 0.4454 0.5688 1.0225 1.0541 1.1946 1.2199 1.8694 1.9004 1.9578 1.9964 2.9674 3.0025 3.0179 3.0583 k = 0.1458 0.5000-0.0000 ( 9838 PWs) bands (ev): -7.6552 -7.6551 -7.6547 -7.6546 -6.2209 -6.2175 -6.2159 -6.2143 -5.2437 -5.2425 -5.2357 -5.2243 -5.1847 -5.1780 -5.1705 -5.1519 -4.9055 -4.8953 -4.8920 -4.8903 -4.8744 -4.8644 -4.8640 -4.8622 -4.7865 -4.7815 -4.7787 -4.7691 -1.9056 -1.8956 -1.8552 -1.8368 -0.2973 -0.2302 -0.2137 -0.1048 0.3128 0.3681 0.4479 0.5830 1.0033 1.0422 1.1785 1.2070 1.8693 1.8989 1.9524 1.9983 2.9883 3.0267 3.0432 3.0853 k = 0.1667 0.5000-0.0000 ( 9838 PWs) bands (ev): -7.6539 -7.6538 -7.6533 -7.6532 -6.2223 -6.2190 -6.2168 -6.2154 -5.2443 -5.2423 -5.2346 -5.2227 -5.1873 -5.1788 -5.1708 -5.1506 -4.9059 -4.8951 -4.8908 -4.8896 -4.8750 -4.8639 -4.8637 -4.8618 -4.7888 -4.7829 -4.7800 -4.7693 -1.9027 -1.8918 -1.8544 -1.8342 -0.3102 -0.2501 -0.2243 -0.1162 0.3205 0.3733 0.4520 0.5962 0.9818 1.0282 1.1604 1.1916 1.8716 1.8981 1.9481 2.0012 3.0123 3.0534 3.0721 3.1142 k = 0.1875 0.5000-0.0000 ( 9840 PWs) bands (ev): -7.6525 -7.6524 -7.6519 -7.6517 -6.2239 -6.2206 -6.2178 -6.2165 -5.2448 -5.2420 -5.2335 -5.2212 -5.1899 -5.1794 -5.1713 -5.1495 -4.9062 -4.8948 -4.8896 -4.8889 -4.8754 -4.8636 -4.8631 -4.8614 -4.7911 -4.7843 -4.7816 -4.7699 -1.8995 -1.8878 -1.8534 -1.8318 -0.3222 -0.2696 -0.2366 -0.1293 0.3298 0.3775 0.4572 0.6084 0.9583 1.0118 1.1403 1.1739 1.8762 1.8983 1.9449 2.0050 3.0393 3.0825 3.1041 3.1447 k = 0.2083 0.5000-0.0000 ( 9838 PWs) bands (ev): -7.6510 -7.6509 -7.6503 -7.6502 -6.2255 -6.2223 -6.2189 -6.2178 -5.2452 -5.2415 -5.2324 -5.2199 -5.1923 -5.1798 -5.1719 -5.1486 -4.9064 -4.8945 -4.8885 -4.8884 -4.8756 -4.8633 -4.8625 -4.8610 -4.7934 -4.7857 -4.7833 -4.7706 -1.8959 -1.8836 -1.8521 -1.8294 -0.3333 -0.2885 -0.2501 -0.1438 0.3405 0.3807 0.4631 0.6196 0.9332 0.9933 1.1185 1.1538 1.8832 1.8998 1.9432 2.0098 3.0690 3.1138 3.1389 3.1766 k = 0.2292 0.5000-0.0000 ( 9840 PWs) bands (ev): -7.6495 -7.6494 -7.6487 -7.6486 -6.2271 -6.2240 -6.2200 -6.2191 -5.2454 -5.2410 -5.2314 -5.2188 -5.1945 -5.1800 -5.1727 -5.1479 -4.9065 -4.8941 -4.8881 -4.8875 -4.8755 -4.8629 -4.8619 -4.8605 -4.7957 -4.7871 -4.7852 -4.7715 -1.8919 -1.8793 -1.8507 -1.8272 -0.3431 -0.3064 -0.2644 -0.1592 0.3524 0.3832 0.4693 0.6299 0.9073 0.9726 1.0952 1.1318 1.8922 1.9028 1.9429 2.0155 3.1012 3.1473 3.1761 3.2098 k = 0.2500 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6479 -7.6478 -7.6471 -7.6470 -6.2288 -6.2258 -6.2212 -6.2204 -5.2455 -5.2404 -5.2304 -5.2179 -5.1966 -5.1799 -5.1736 -5.1475 -4.9065 -4.8937 -4.8882 -4.8866 -4.8751 -4.8625 -4.8613 -4.8601 -4.7980 -4.7885 -4.7873 -4.7725 -1.8876 -1.8748 -1.8491 -1.8252 -0.3516 -0.3233 -0.2793 -0.1751 0.3654 0.3851 0.4755 0.6396 0.8809 0.9499 1.0706 1.1079 1.9032 1.9073 1.9441 2.0218 3.1357 3.1827 3.2155 3.2439 k = 0.2708 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6464 -7.6462 -7.6455 -7.6454 -6.2304 -6.2275 -6.2225 -6.2218 -5.2455 -5.2396 -5.2296 -5.2174 -5.1983 -5.1795 -5.1746 -5.1474 -4.9064 -4.8932 -4.8884 -4.8858 -4.8743 -4.8620 -4.8608 -4.8596 -4.8002 -4.7897 -4.7895 -4.7738 -1.8831 -1.8704 -1.8474 -1.8235 -0.3587 -0.3391 -0.2943 -0.1913 0.3794 0.3866 0.4813 0.6489 0.8549 0.9253 1.0449 1.0826 1.9131 1.9156 1.9465 2.0284 3.1721 3.2200 3.2567 3.2788 k = 0.2917 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6448 -7.6447 -7.6438 -7.6438 -6.2320 -6.2293 -6.2237 -6.2231 -5.2453 -5.2388 -5.2291 -5.2172 -5.1998 -5.1787 -5.1758 -5.1475 -4.9062 -4.8927 -4.8890 -4.8851 -4.8732 -4.8615 -4.8602 -4.8592 -4.8022 -4.7917 -4.7908 -4.7751 -1.8784 -1.8661 -1.8456 -1.8221 -0.3644 -0.3535 -0.3091 -0.2075 0.3880 0.3944 0.4865 0.6579 0.8299 0.8992 1.0186 1.0562 1.9200 1.9291 1.9500 2.0352 3.2103 3.2588 3.2995 3.3142 k = 0.3125 0.5000-0.0000 ( 9828 PWs) bands (ev): -7.6433 -7.6432 -7.6423 -7.6422 -6.2335 -6.2310 -6.2249 -6.2244 -5.2450 -5.2379 -5.2287 -5.2173 -5.2007 -5.1777 -5.1771 -5.1478 -4.9059 -4.8921 -4.8897 -4.8846 -4.8720 -4.8609 -4.8597 -4.8588 -4.8041 -4.7940 -4.7918 -4.7766 -1.8735 -1.8618 -1.8438 -1.8211 -0.3685 -0.3664 -0.3237 -0.2235 0.3896 0.4104 0.4906 0.6671 0.8068 0.8718 0.9918 1.0290 1.9277 1.9434 1.9542 2.0417 3.2501 3.2989 3.3435 3.3500 k = 0.3333 0.5000-0.0000 ( 9828 PWs) bands (ev): -7.6418 -7.6418 -7.6408 -7.6407 -6.2349 -6.2326 -6.2261 -6.2257 -5.2446 -5.2369 -5.2287 -5.2177 -5.2013 -5.1786 -5.1763 -5.1484 -4.9055 -4.8914 -4.8906 -4.8842 -4.8705 -4.8603 -4.8592 -4.8584 -4.8059 -4.7963 -4.7926 -4.7782 -1.8685 -1.8577 -1.8421 -1.8205 -0.3779 -0.3711 -0.3376 -0.2392 0.3916 0.4274 0.4932 0.6764 0.7863 0.8436 0.9649 1.0014 1.9359 1.9581 1.9590 2.0477 3.2911 3.3398 3.3857 3.3884 k = 0.3542 0.5000-0.0000 ( 9830 PWs) bands (ev): -7.6405 -7.6404 -7.6394 -7.6394 -6.2362 -6.2341 -6.2271 -6.2268 -5.2440 -5.2359 -5.2291 -5.2184 -5.2013 -5.1801 -5.1747 -5.1492 -4.9050 -4.8916 -4.8908 -4.8840 -4.8689 -4.8597 -4.8588 -4.8581 -4.8075 -4.7986 -4.7932 -4.7798 -1.8635 -1.8539 -1.8405 -1.8203 -0.3877 -0.3721 -0.3508 -0.2544 0.3943 0.4456 0.4940 0.6861 0.7695 0.8150 0.9382 0.9738 1.9441 1.9639 1.9727 2.0529 3.3329 3.3808 3.4208 3.4335 k = 0.3750 0.5000-0.0000 ( 9826 PWs) bands (ev): -7.6393 -7.6392 -7.6382 -7.6381 -6.2373 -6.2355 -6.2281 -6.2279 -5.2433 -5.2347 -5.2297 -5.2192 -5.2009 -5.1817 -5.1728 -5.1502 -4.9044 -4.8927 -4.8901 -4.8840 -4.8673 -4.8591 -4.8584 -4.8578 -4.8088 -4.8009 -4.7936 -4.7815 -1.8585 -1.8503 -1.8391 -1.8206 -0.3960 -0.3717 -0.3630 -0.2690 0.3978 0.4648 0.4924 0.6958 0.7569 0.7869 0.9119 0.9463 1.9521 1.9686 1.9870 2.0570 3.3753 3.4212 3.4549 3.4782 k = 0.3958 0.5000-0.0000 ( 9810 PWs) bands (ev): -7.6382 -7.6382 -7.6371 -7.6370 -6.2383 -6.2367 -6.2290 -6.2288 -5.2425 -5.2335 -5.2306 -5.2203 -5.2001 -5.1834 -5.1708 -5.1514 -4.9037 -4.8938 -4.8894 -4.8840 -4.8657 -4.8586 -4.8580 -4.8577 -4.8099 -4.8030 -4.7937 -4.7832 -1.8536 -1.8471 -1.8379 -1.8214 -0.4025 -0.3741 -0.3697 -0.2829 0.4024 0.4852 0.4883 0.7039 0.7493 0.7614 0.8864 0.9194 1.9596 1.9730 2.0006 2.0599 3.4178 3.4600 3.4871 3.5213 k = 0.4167 0.5000-0.0000 ( 9812 PWs) bands (ev): -7.6373 -7.6373 -7.6362 -7.6361 -6.2391 -6.2378 -6.2297 -6.2296 -5.2416 -5.2323 -5.2318 -5.2215 -5.1990 -5.1852 -5.1687 -5.1528 -4.9030 -4.8949 -4.8887 -4.8843 -4.8642 -4.8582 -4.8578 -4.8577 -4.8107 -4.8050 -4.7936 -4.7848 -1.8489 -1.8442 -1.8370 -1.8227 -0.4073 -0.3840 -0.3664 -0.2962 0.4081 0.4818 0.5068 0.7023 0.7468 0.7470 0.8620 0.8933 1.9662 1.9768 2.0133 2.0613 3.4597 3.4959 3.5165 3.5605 k = 0.4375 0.5000-0.0000 ( 9812 PWs) bands (ev): -7.6366 -7.6366 -7.6354 -7.6354 -6.2397 -6.2387 -6.2303 -6.2302 -5.2406 -5.2330 -5.2310 -5.2227 -5.1976 -5.1870 -5.1666 -5.1544 -4.9022 -4.8961 -4.8880 -4.8846 -4.8627 -4.8578 -4.8578 -4.8575 -4.8112 -4.8068 -4.7932 -4.7865 -1.8444 -1.8418 -1.8364 -1.8244 -0.4103 -0.3925 -0.3617 -0.3085 0.4151 0.4733 0.5295 0.6834 0.7492 0.7516 0.8389 0.8683 1.9719 1.9797 2.0248 2.0612 3.5003 3.5273 3.5417 3.5925 k = 0.4583 0.5000-0.0000 ( 9804 PWs) bands (ev): -7.6361 -7.6361 -7.6349 -7.6349 -6.2400 -6.2394 -6.2308 -6.2307 -5.2394 -5.2343 -5.2296 -5.2241 -5.1961 -5.1889 -5.1644 -5.1562 -4.9013 -4.8972 -4.8873 -4.8850 -4.8614 -4.8581 -4.8575 -4.8574 -4.8113 -4.8083 -4.7925 -4.7880 -1.8401 -1.8398 -1.8362 -1.8267 -0.4116 -0.3996 -0.3557 -0.3200 0.4232 0.4635 0.5534 0.6578 0.7561 0.7650 0.8175 0.8444 1.9764 1.9815 2.0349 2.0593 3.5386 3.5523 3.5611 3.6120 k = 0.4792 0.5000-0.0000 ( 9796 PWs) bands (ev): -7.6358 -7.6358 -7.6346 -7.6345 -6.2402 -6.2399 -6.2310 -6.2310 -5.2382 -5.2356 -5.2282 -5.2254 -5.1943 -5.1907 -5.1622 -5.1581 -4.9003 -4.8983 -4.8866 -4.8855 -4.8603 -4.8586 -4.8573 -4.8573 -4.8111 -4.8096 -4.7917 -4.7894 -1.8382 -1.8365 -1.8362 -1.8294 -0.4111 -0.4051 -0.3485 -0.3306 0.4324 0.4530 0.5784 0.6309 0.7669 0.7819 0.7981 0.8219 1.9796 1.9822 2.0435 2.0558 3.5689 3.5726 3.5731 3.6141 k = 0.5000 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6357 -7.6357 -7.6344 -7.6344 -6.2402 -6.2402 -6.2311 -6.2311 -5.2370 -5.2370 -5.2269 -5.2269 -5.1926 -5.1926 -5.1602 -5.1602 -4.8994 -4.8994 -4.8861 -4.8861 -4.8594 -4.8594 -4.8573 -4.8573 -4.8106 -4.8106 -4.7907 -4.7907 -1.8371 -1.8371 -1.8326 -1.8326 -0.4089 -0.4089 -0.3401 -0.3401 0.4424 0.4424 0.6043 0.6043 0.7811 0.7811 0.8010 0.8010 1.9816 1.9816 2.0505 2.0505 3.5760 3.5760 3.5994 3.5994 k = 0.5000 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6357 -7.6357 -7.6344 -7.6344 -6.2402 -6.2402 -6.2311 -6.2311 -5.2370 -5.2370 -5.2269 -5.2269 -5.1926 -5.1926 -5.1602 -5.1602 -4.8994 -4.8994 -4.8861 -4.8861 -4.8594 -4.8594 -4.8573 -4.8573 -4.8106 -4.8106 -4.7907 -4.7907 -1.8371 -1.8371 -1.8326 -1.8326 -0.4089 -0.4089 -0.3401 -0.3401 0.4424 0.4424 0.6043 0.6043 0.7811 0.7811 0.8010 0.8010 1.9816 1.9816 2.0505 2.0505 3.5760 3.5760 3.5994 3.5994 k = 0.4853 0.4853-0.0000 ( 9798 PWs) bands (ev): -7.6362 -7.6361 -7.6344 -7.6344 -6.2400 -6.2397 -6.2308 -6.2308 -5.2380 -5.2362 -5.2276 -5.2257 -5.1939 -5.1914 -5.1614 -5.1586 -4.9000 -4.8986 -4.8865 -4.8856 -4.8602 -4.8590 -4.8573 -4.8572 -4.8109 -4.8098 -4.7912 -4.7895 -1.8384 -1.8372 -1.8349 -1.8301 -0.4107 -0.4065 -0.3456 -0.3329 0.4330 0.4479 0.5889 0.6257 0.7600 0.7844 0.7994 0.8253 1.9775 1.9795 2.0432 2.0515 3.5677 3.5722 3.5879 3.6161 k = 0.4706 0.4706-0.0000 ( 9798 PWs) bands (ev): -7.6387 -7.6385 -7.6335 -7.6333 -6.2391 -6.2386 -6.2298 -6.2298 -5.2391 -5.2359 -5.2279 -5.2244 -5.1954 -5.1905 -5.1625 -5.1568 -4.9007 -4.8978 -4.8870 -4.8853 -4.8614 -4.8590 -4.8574 -4.8570 -4.8109 -4.8087 -4.7913 -4.7880 -1.8433 -1.8400 -1.8348 -1.8262 -0.4120 -0.4036 -0.3490 -0.3239 0.4193 0.4504 0.5800 0.6520 0.7338 0.7859 0.8077 0.8560 1.9663 1.9719 2.0316 2.0459 3.5513 3.5604 3.5796 3.6303 k = 0.4559 0.4559-0.0000 ( 9814 PWs) bands (ev): -7.6430 -7.6428 -7.6316 -7.6314 -6.2378 -6.2369 -6.2282 -6.2281 -5.2402 -5.2361 -5.2278 -5.2229 -5.1968 -5.1901 -5.1631 -5.1550 -4.9014 -4.8970 -4.8875 -4.8850 -4.8630 -4.8593 -4.8577 -4.8567 -4.8108 -4.8071 -4.7908 -4.7860 -1.8518 -1.8460 -1.8322 -1.8203 -0.4131 -0.4013 -0.3495 -0.3128 0.4020 0.4510 0.5767 0.6808 0.7093 0.7903 0.8197 0.8881 1.9471 1.9587 2.0179 2.0345 3.5335 3.5419 3.5679 3.6363 k = 0.4412 0.4412-0.0000 ( 9824 PWs) bands (ev): -7.6489 -7.6487 -7.6289 -7.6286 -6.2359 -6.2346 -6.2260 -6.2257 -5.2413 -5.2367 -5.2272 -5.2214 -5.1982 -5.1902 -5.1632 -5.1532 -4.9020 -4.8962 -4.8881 -4.8848 -4.8648 -4.8600 -4.8580 -4.8563 -4.8105 -4.8052 -4.7899 -4.7836 -1.8632 -1.8552 -1.8277 -1.8124 -0.4142 -0.4008 -0.3454 -0.2990 0.3825 0.4504 0.5775 0.6835 0.7147 0.7984 0.8346 0.9203 1.9207 1.9399 2.0037 2.0191 3.5152 3.5173 3.5515 3.6314 k = 0.4265 0.4265-0.0000 ( 9836 PWs) bands (ev): -7.6564 -7.6562 -7.6255 -7.6251 -6.2336 -6.2318 -6.2232 -6.2227 -5.2424 -5.2376 -5.2265 -5.2198 -5.1992 -5.1907 -5.1628 -5.1513 -4.9026 -4.8954 -4.8887 -4.8846 -4.8668 -4.8612 -4.8581 -4.8558 -4.8101 -4.8030 -4.7885 -4.7808 -1.8774 -1.8674 -1.8213 -1.8026 -0.4157 -0.4028 -0.3360 -0.2823 0.3616 0.4489 0.5808 0.6626 0.7463 0.8102 0.8518 0.9517 1.8894 1.9160 1.9888 2.0014 3.4868 3.4955 3.5308 3.6169 k = 0.4118 0.4118-0.0000 ( 9836 PWs) bands (ev): -7.6654 -7.6651 -7.6213 -7.6209 -6.2309 -6.2286 -6.2198 -6.2190 -5.2434 -5.2386 -5.2259 -5.2181 -5.2000 -5.1918 -5.1620 -5.1494 -4.9031 -4.8946 -4.8893 -4.8845 -4.8687 -4.8628 -4.8580 -4.8553 -4.8096 -4.8007 -4.7866 -4.7779 -1.8943 -1.8825 -1.8129 -1.7910 -0.4174 -0.4066 -0.3217 -0.2626 0.3403 0.4465 0.5855 0.6433 0.7780 0.8259 0.8708 0.9814 1.8561 1.8885 1.9730 1.9825 3.4508 3.4730 3.5073 3.5961 k = 0.3971 0.3971-0.0000 ( 9828 PWs) bands (ev): -7.6757 -7.6753 -7.6165 -7.6160 -6.2279 -6.2249 -6.2158 -6.2147 -5.2443 -5.2397 -5.2255 -5.2163 -5.2003 -5.1932 -5.1608 -5.1475 -4.9037 -4.8939 -4.8899 -4.8844 -4.8706 -4.8645 -4.8579 -4.8547 -4.8090 -4.7983 -4.7842 -4.7747 -1.9137 -1.9005 -1.8025 -1.7774 -0.4194 -0.4114 -0.3033 -0.2397 0.3187 0.4429 0.5909 0.6261 0.8079 0.8451 0.8916 1.0082 1.8235 1.8595 1.9560 1.9631 3.4097 3.4454 3.4835 3.5719 k = 0.3824 0.3824-0.0000 ( 9825 PWs) bands (ev): -7.6871 -7.6867 -7.6110 -7.6104 -6.2245 -6.2210 -6.2113 -6.2099 -5.2452 -5.2408 -5.2254 -5.2145 -5.2000 -5.1949 -5.1594 -5.1456 -4.9042 -4.8934 -4.8903 -4.8845 -4.8725 -4.8664 -4.8577 -4.8540 -4.8082 -4.7961 -4.7813 -4.7715 -1.9356 -1.9211 -1.7900 -1.7618 -0.4216 -0.4163 -0.2812 -0.2139 0.2971 0.4379 0.5965 0.6114 0.8340 0.8674 0.9147 1.0311 1.7939 1.8312 1.9378 1.9432 3.3638 3.4108 3.4623 3.5467 k = 0.3676 0.3676-0.0000 ( 9837 PWs) bands (ev): -7.6996 -7.6992 -7.6048 -7.6042 -6.2208 -6.2168 -6.2064 -6.2048 -5.2460 -5.2419 -5.2258 -5.2127 -5.1993 -5.1969 -5.1577 -5.1437 -4.9047 -4.8934 -4.8904 -4.8845 -4.8742 -4.8684 -4.8573 -4.8532 -4.8074 -4.7940 -4.7780 -4.7683 -1.9598 -1.9443 -1.7753 -1.7442 -0.4236 -0.4210 -0.2559 -0.1851 0.2756 0.4309 0.5991 0.6019 0.8536 0.8920 0.9413 1.0494 1.7690 1.8058 1.9188 1.9232 3.3135 3.3696 3.4443 3.5224 k = 0.3529 0.3529-0.0000 ( 9821 PWs) bands (ev): -7.7130 -7.7125 -7.5981 -7.5974 -6.2168 -6.2123 -6.2011 -6.1994 -5.2466 -5.2429 -5.2264 -5.2109 -5.1991 -5.1980 -5.1558 -5.1419 -4.9053 -4.8939 -4.8901 -4.8847 -4.8759 -4.8703 -4.8569 -4.8523 -4.8063 -4.7920 -4.7744 -4.7651 -1.9862 -1.9700 -1.7584 -1.7246 -0.4255 -0.4251 -0.2278 -0.1536 0.2541 0.4219 0.5893 0.6071 0.8649 0.9173 0.9722 1.0630 1.7500 1.7847 1.8992 1.9034 3.2590 3.3232 3.4300 3.5005 k = 0.3382 0.3382-0.0000 ( 9815 PWs) bands (ev): -7.7271 -7.7266 -7.5909 -7.5902 -6.2125 -6.2077 -6.1956 -6.1938 -5.2472 -5.2440 -5.2273 -5.2091 -5.2013 -5.1964 -5.1538 -5.1401 -4.9059 -4.8947 -4.8896 -4.8849 -4.8774 -4.8721 -4.8564 -4.8513 -4.8052 -4.7900 -4.7706 -4.7620 -2.0144 -1.9978 -1.7393 -1.7028 -0.4284 -0.4272 -0.1970 -0.1196 0.2327 0.4107 0.5817 0.6118 0.8679 0.9410 1.0069 1.0735 1.7373 1.7686 1.8794 1.8843 3.2006 3.2723 3.4197 3.4825 k = 0.3235 0.3235-0.0000 ( 9811 PWs) bands (ev): -7.7418 -7.7413 -7.5832 -7.5824 -6.2079 -6.2028 -6.1899 -6.1880 -5.2478 -5.2451 -5.2284 -5.2075 -5.2034 -5.1945 -5.1516 -5.1384 -4.9065 -4.8956 -4.8892 -4.8853 -4.8787 -4.8738 -4.8559 -4.8502 -4.8039 -4.7882 -4.7666 -4.7590 -2.0444 -2.0275 -1.7180 -1.6791 -0.4309 -0.4286 -0.1640 -0.0834 0.2116 0.3978 0.5758 0.6160 0.8636 0.9587 1.0441 1.0845 1.7305 1.7574 1.8599 1.8665 3.1390 3.2177 3.4142 3.4694 k = 0.3088 0.3088-0.0000 ( 9811 PWs) bands (ev): -7.7569 -7.7564 -7.5751 -7.5743 -6.2032 -6.1978 -6.1841 -6.1823 -5.2482 -5.2461 -5.2296 -5.2074 -5.2041 -5.1923 -5.1495 -5.1367 -4.9072 -4.8966 -4.8888 -4.8858 -4.8799 -4.8752 -4.8552 -4.8491 -4.8025 -4.7864 -4.7627 -4.7562 -2.0759 -2.0590 -1.6945 -1.6532 -0.4325 -0.4298 -0.1291 -0.0453 0.1911 0.3835 0.5709 0.6197 0.8533 0.9655 1.0830 1.1011 1.7288 1.7500 1.8414 1.8507 3.0743 3.1602 3.4142 3.4621 k = 0.2941 0.2941-0.0000 ( 9807 PWs) bands (ev): -7.7723 -7.7718 -7.5667 -7.5658 -6.1982 -6.1927 -6.1782 -6.1766 -5.2486 -5.2471 -5.2309 -5.2094 -5.2027 -5.1900 -5.1472 -5.1350 -4.9079 -4.8977 -4.8886 -4.8865 -4.8808 -4.8765 -4.8545 -4.8478 -4.8009 -4.7846 -4.7587 -4.7535 -2.1086 -2.0919 -1.6688 -1.6254 -0.4334 -0.4307 -0.0932 -0.0057 0.1718 0.3687 0.5662 0.6227 0.8385 0.9598 1.1227 1.1251 1.7307 1.7449 1.8244 1.8378 3.0073 3.1001 3.4203 3.4613 k = 0.2794 0.2794-0.0000 ( 9811 PWs) bands (ev): -7.7878 -7.7874 -7.5579 -7.5570 -6.1931 -6.1875 -6.1724 -6.1710 -5.2489 -5.2481 -5.2321 -5.2118 -5.2009 -5.1876 -5.1449 -5.1334 -4.9087 -4.8989 -4.8886 -4.8873 -4.8816 -4.8775 -4.8536 -4.8465 -4.7992 -4.7829 -4.7548 -4.7511 -2.1422 -2.1260 -1.6411 -1.5957 -0.4337 -0.4317 -0.0571 0.0349 0.1547 0.3540 0.5611 0.6251 0.8209 0.9443 1.1545 1.1625 1.7346 1.7406 1.8098 1.8285 2.9383 3.0383 3.4326 3.4673 k = 0.2647 0.2647-0.0000 ( 9799 PWs) bands (ev): -7.8033 -7.8029 -7.5490 -7.5481 -6.1879 -6.1823 -6.1667 -6.1655 -5.2492 -5.2490 -5.2334 -5.2143 -5.1989 -5.1852 -5.1425 -5.1318 -4.9095 -4.9000 -4.8888 -4.8881 -4.8820 -4.8783 -4.8527 -4.8452 -4.7972 -4.7813 -4.7510 -4.7488 -2.1766 -2.1608 -1.6113 -1.5642 -0.4335 -0.4328 -0.0232 0.0758 0.1419 0.3404 0.5548 0.6268 0.8021 0.9223 1.1864 1.2014 1.7363 1.7392 1.7984 1.8229 2.8680 2.9751 3.4511 3.4802 k = 0.2500 0.2500-0.0000 ( 9769 PWs) bands (ev): -7.8187 -7.8183 -7.5400 -7.5390 -6.1826 -6.1771 -6.1612 -6.1602 -5.2499 -5.2494 -5.2345 -5.2169 -5.1970 -5.1828 -5.1400 -5.1301 -4.9104 -4.9012 -4.8891 -4.8890 -4.8823 -4.8789 -4.8516 -4.8438 -4.7952 -4.7798 -4.7473 -4.7467 -2.2113 -2.1963 -1.5797 -1.5311 -0.4341 -0.4332 0.0045 0.1160 0.1374 0.3289 0.5465 0.6280 0.7835 0.8965 1.2186 1.2389 1.7319 1.7428 1.7912 1.8206 2.7969 2.9112 3.4754 3.4997 k = 0.2353 0.2353-0.0000 ( 9809 PWs) bands (ev): -7.8339 -7.8334 -7.5308 -7.5299 -6.1773 -6.1720 -6.1558 -6.1552 -5.2508 -5.2496 -5.2357 -5.2194 -5.1951 -5.1805 -5.1376 -5.1285 -4.9114 -4.9025 -4.8900 -4.8897 -4.8825 -4.8794 -4.8506 -4.8424 -4.7930 -4.7783 -4.7448 -4.7438 -2.2462 -2.2319 -1.5464 -1.4965 -0.4358 -0.4329 0.0203 0.1467 0.1539 0.3208 0.5356 0.6288 0.7666 0.8684 1.2497 1.2744 1.7279 1.7449 1.7886 1.8207 2.7255 2.8471 3.5050 3.5251 k = 0.2206 0.2206-0.0000 ( 9825 PWs) bands (ev): -7.8486 -7.8482 -7.5217 -7.5208 -6.1720 -6.1670 -6.1506 -6.1504 -5.2516 -5.2497 -5.2367 -5.2220 -5.1932 -5.1783 -5.1351 -5.1269 -4.9124 -4.9038 -4.8908 -4.8903 -4.8825 -4.8799 -4.8494 -4.8411 -4.7908 -4.7770 -4.7431 -4.7405 -2.2809 -2.2675 -1.5116 -1.4607 -0.4381 -0.4329 0.0233 0.1702 0.1869 0.3180 0.5218 0.6297 0.7528 0.8391 1.2791 1.3073 1.7247 1.7458 1.7897 1.8223 2.6545 2.7833 3.5387 3.5556 k = 0.2059 0.2059-0.0000 ( 9819 PWs) bands (ev): -7.8629 -7.8625 -7.5127 -7.5118 -6.1668 -6.1621 -6.1459 -6.1456 -5.2523 -5.2498 -5.2377 -5.2245 -5.1913 -5.1763 -5.1326 -5.1253 -4.9134 -4.9051 -4.8917 -4.8909 -4.8825 -4.8802 -4.8482 -4.8398 -4.7884 -4.7758 -4.7415 -4.7373 -2.3151 -2.3026 -1.4756 -1.4239 -0.4410 -0.4336 0.0191 0.2016 0.2120 0.3228 0.5052 0.6313 0.7432 0.8093 1.3062 1.3374 1.7225 1.7468 1.7933 1.8249 2.5842 2.7203 3.5753 3.5899 k = 0.1912 0.1912-0.0000 ( 9823 PWs) bands (ev): -7.8766 -7.8763 -7.5039 -7.5029 -6.1617 -6.1575 -6.1417 -6.1409 -5.2530 -5.2498 -5.2386 -5.2269 -5.1895 -5.1744 -5.1301 -5.1237 -4.9144 -4.9064 -4.8924 -4.8915 -4.8825 -4.8805 -4.8469 -4.8385 -4.7860 -4.7747 -4.7399 -4.7343 -2.3486 -2.3371 -1.4386 -1.3866 -0.4445 -0.4350 0.0129 0.2277 0.2348 0.3348 0.4863 0.6346 0.7390 0.7798 1.3312 1.3650 1.7210 1.7481 1.7983 1.8282 2.5154 2.6583 3.6136 3.6268 k = 0.1765 0.1765-0.0000 ( 9831 PWs) bands (ev): -7.8897 -7.8893 -7.4953 -7.4944 -6.1568 -6.1532 -6.1377 -6.1364 -5.2536 -5.2498 -5.2395 -5.2292 -5.1876 -5.1727 -5.1277 -5.1221 -4.9154 -4.9077 -4.8931 -4.8921 -4.8825 -4.8807 -4.8456 -4.8373 -4.7836 -4.7737 -4.7384 -4.7315 -2.3811 -2.3705 -1.4009 -1.3489 -0.4486 -0.4373 0.0070 0.2363 0.2660 0.3492 0.4668 0.6404 0.7408 0.7512 1.3544 1.3904 1.7198 1.7496 1.8042 1.8318 2.4484 2.5979 3.6521 3.6647 k = 0.1618 0.1618-0.0000 ( 9823 PWs) bands (ev): -7.9020 -7.9017 -7.4871 -7.4862 -6.1522 -6.1491 -6.1340 -6.1322 -5.2541 -5.2498 -5.2402 -5.2315 -5.1858 -5.1713 -5.1252 -5.1204 -4.9164 -4.9090 -4.8937 -4.8927 -4.8825 -4.8809 -4.8443 -4.8362 -4.7812 -4.7727 -4.7369 -4.7289 -2.4122 -2.4026 -1.3630 -1.3113 -0.4533 -0.4405 0.0027 0.2418 0.2925 0.3584 0.4494 0.6487 0.7252 0.7495 1.3764 1.4145 1.7182 1.7508 1.8102 1.8355 2.3840 2.5393 3.6895 3.7022 k = 0.1471 0.1471-0.0000 ( 9815 PWs) bands (ev): -7.9134 -7.9132 -7.4793 -7.4784 -6.1478 -6.1454 -6.1305 -6.1283 -5.2546 -5.2498 -5.2410 -5.2337 -5.1841 -5.1701 -5.1229 -5.1188 -4.9174 -4.9103 -4.8942 -4.8932 -4.8825 -4.8811 -4.8429 -4.8352 -4.7790 -4.7720 -4.7354 -4.7265 -2.4416 -2.4330 -1.3251 -1.2744 -0.4583 -0.4446 0.0004 0.2464 0.3126 0.3562 0.4379 0.6546 0.7080 0.7648 1.3979 1.4380 1.7160 1.7512 1.8158 1.8386 2.3226 2.4827 3.7248 3.7379 k = 0.1324 0.1324-0.0000 ( 9827 PWs) bands (ev): -7.9240 -7.9238 -7.4719 -7.4711 -6.1438 -6.1420 -6.1273 -6.1247 -5.2549 -5.2498 -5.2416 -5.2358 -5.1824 -5.1691 -5.1207 -5.1172 -4.9182 -4.9116 -4.8947 -4.8937 -4.8825 -4.8813 -4.8416 -4.8343 -4.7770 -4.7713 -4.7339 -4.7244 -2.4692 -2.4616 -1.2877 -1.2386 -0.4635 -0.4495 0.0003 0.2508 0.3258 0.3423 0.4322 0.6441 0.7137 0.7861 1.4195 1.4616 1.7128 1.7508 1.8196 1.8408 2.2651 2.4281 3.7575 3.7711 k = 0.1176 0.1176-0.0000 ( 9813 PWs) bands (ev): -7.9336 -7.9334 -7.4651 -7.4644 -6.1402 -6.1389 -6.1243 -6.1214 -5.2551 -5.2498 -5.2422 -5.2377 -5.1807 -5.1684 -5.1186 -5.1157 -4.9190 -4.9128 -4.8951 -4.8942 -4.8825 -4.8814 -4.8403 -4.8335 -4.7751 -4.7707 -4.7322 -4.7225 -2.4947 -2.4879 -1.2514 -1.2045 -0.4687 -0.4549 0.0025 0.2540 0.3229 0.3328 0.4285 0.6218 0.7372 0.8115 1.4416 1.4860 1.7086 1.7498 1.8207 1.8416 2.2121 2.3756 3.7874 3.8011 k = 0.1029 0.1029-0.0000 ( 9823 PWs) bands (ev): -7.9422 -7.9420 -7.4590 -7.4583 -6.1371 -6.1362 -6.1215 -6.1185 -5.2552 -5.2498 -5.2427 -5.2394 -5.1791 -5.1679 -5.1166 -5.1143 -4.9196 -4.9140 -4.8954 -4.8946 -4.8825 -4.8816 -4.8390 -4.8329 -4.7736 -4.7702 -4.7305 -4.7210 -2.5177 -2.5119 -1.2166 -1.1726 -0.4737 -0.4606 0.0069 0.2523 0.3057 0.3348 0.4246 0.5967 0.7677 0.8389 1.4648 1.5113 1.7036 1.7485 1.8179 1.8409 2.1646 2.3251 3.8148 3.8281 k = 0.0882 0.0882-0.0000 ( 9823 PWs) bands (ev): -7.9498 -7.9496 -7.4535 -7.4529 -6.1343 -6.1339 -6.1189 -6.1160 -5.2552 -5.2498 -5.2432 -5.2410 -5.1776 -5.1676 -5.1149 -5.1130 -4.9201 -4.9152 -4.8957 -4.8950 -4.8825 -4.8817 -4.8378 -4.8324 -4.7723 -4.7698 -4.7287 -4.7197 -2.5382 -2.5332 -1.1840 -1.1438 -0.4784 -0.4664 0.0134 0.2397 0.2984 0.3334 0.4203 0.5715 0.8009 0.8664 1.4892 1.5371 1.6978 1.7474 1.8107 1.8385 2.1236 2.2767 3.8397 3.8521 k = 0.0735 0.0735-0.0000 ( 9817 PWs) bands (ev): -7.9562 -7.9561 -7.4488 -7.4483 -6.1321 -6.1319 -6.1167 -6.1139 -5.2550 -5.2500 -5.2436 -5.2423 -5.1761 -5.1676 -5.1133 -5.1119 -4.9205 -4.9163 -4.8959 -4.8953 -4.8825 -4.8818 -4.8366 -4.8320 -4.7712 -4.7695 -4.7268 -4.7188 -2.5558 -2.5517 -1.1541 -1.1186 -0.4824 -0.4720 0.0221 0.2179 0.2999 0.3302 0.4168 0.5470 0.8342 0.8919 1.5148 1.5627 1.6917 1.7470 1.7990 1.8347 2.0900 2.2305 3.8621 3.8732 k = 0.0588 0.0588-0.0000 ( 9819 PWs) bands (ev): -7.9616 -7.9615 -7.4448 -7.4444 -6.1303 -6.1303 -6.1146 -6.1122 -5.2548 -5.2503 -5.2440 -5.2434 -5.1748 -5.1678 -5.1120 -5.1109 -4.9208 -4.9173 -4.8961 -4.8956 -4.8824 -4.8819 -4.8356 -4.8318 -4.7704 -4.7693 -4.7251 -4.7182 -2.5704 -2.5671 -1.1276 -1.0978 -0.4858 -0.4772 0.0328 0.1928 0.3043 0.3262 0.4153 0.5235 0.8656 0.9138 1.5413 1.5867 1.6857 1.7472 1.7841 1.8296 2.0647 2.1868 3.8819 3.8911 k = 0.0441 0.0441-0.0000 ( 9805 PWs) bands (ev): -7.9657 -7.9656 -7.4417 -7.4414 -6.1290 -6.1289 -6.1129 -6.1110 -5.2544 -5.2507 -5.2443 -5.2441 -5.1734 -5.1681 -5.1109 -5.1101 -4.9208 -4.9182 -4.8962 -4.8958 -4.8824 -4.8820 -4.8346 -4.8317 -4.7698 -4.7691 -4.7234 -4.7180 -2.5818 -2.5794 -1.1051 -1.0818 -0.4883 -0.4817 0.0458 0.1673 0.3084 0.3224 0.4170 0.5014 0.8934 0.9309 1.5684 1.6072 1.6802 1.7434 1.7722 1.8232 2.0483 2.1463 3.8985 3.9056 k = 0.0294 0.0294-0.0000 ( 9805 PWs) bands (ev): -7.9687 -7.9687 -7.4394 -7.4392 -6.1281 -6.1280 -6.1116 -6.1102 -5.2539 -5.2513 -5.2446 -5.2446 -5.1723 -5.1686 -5.1101 -5.1096 -4.9208 -4.9189 -4.8962 -4.8960 -4.8824 -4.8821 -4.8338 -4.8318 -4.7694 -4.7690 -4.7218 -4.7181 -2.5899 -2.5883 -1.0873 -1.0713 -0.4899 -0.4854 0.0609 0.1426 0.3114 0.3191 0.4229 0.4809 0.9163 0.9419 1.5948 1.6224 1.6764 1.7270 1.7739 1.8154 2.0415 2.1102 3.9112 3.9161 k = 0.0147 0.0147-0.0000 ( 9795 PWs) bands (ev): -7.9705 -7.9705 -7.4380 -7.4379 -6.1275 -6.1275 -6.1106 -6.1099 -5.2533 -5.2520 -5.2448 -5.2447 -5.1712 -5.1693 -5.1095 -5.1093 -4.9205 -4.9196 -4.8962 -4.8961 -4.8823 -4.8821 -4.8331 -4.8321 -4.7691 -4.7689 -4.7205 -4.7186 -2.5947 -2.5939 -1.0746 -1.0665 -0.4904 -0.4882 0.0782 0.1192 0.3134 0.3166 0.4327 0.4623 0.9332 0.9462 1.6176 1.6310 1.6766 1.7050 1.7836 1.8061 2.0446 2.0801 3.9197 3.9222 k = 0.0000 0.0000 0.0000 ( 9795 PWs) bands (ev): -7.9711 -7.9711 -7.4375 -7.4375 -6.1273 -6.1273 -6.1100 -6.1100 -5.2527 -5.2527 -5.2448 -5.2448 -5.1702 -5.1702 -5.1093 -5.1093 -4.9201 -4.9201 -4.8962 -4.8962 -4.8822 -4.8822 -4.8325 -4.8325 -4.7690 -4.7690 -4.7194 -4.7194 -2.5960 -2.5960 -1.0676 -1.0676 -0.4898 -0.4898 0.0977 0.0977 0.3149 0.3149 0.4461 0.4461 0.9433 0.9433 1.6307 1.6307 1.6858 1.6858 1.7952 1.7952 2.0577 2.0577 3.9234 3.9234 k = 0.0000 0.0000 0.0000 ( 9795 PWs) bands (ev): -7.9711 -7.9711 -7.4375 -7.4375 -6.1273 -6.1273 -6.1100 -6.1100 -5.2527 -5.2527 -5.2448 -5.2448 -5.1702 -5.1702 -5.1093 -5.1093 -4.9201 -4.9201 -4.8962 -4.8962 -4.8822 -4.8822 -4.8325 -4.8325 -4.7690 -4.7690 -4.7194 -4.7194 -2.5960 -2.5960 -1.0676 -1.0676 -0.4898 -0.4898 0.0977 0.0977 0.3149 0.3149 0.4461 0.4461 0.9433 0.9433 1.6307 1.6307 1.6858 1.6858 1.7952 1.7952 2.0577 2.0577 3.9234 3.9234 k = 0.0000 0.0000 0.0208 ( 9799 PWs) bands (ev): -7.9704 -7.9704 -7.4378 -7.4377 -6.1277 -6.1277 -6.1109 -6.1100 -5.2536 -5.2517 -5.2448 -5.2448 -5.1716 -5.1690 -5.1096 -5.1093 -4.9207 -4.9194 -4.8963 -4.8961 -4.8823 -4.8821 -4.8332 -4.8318 -4.7693 -4.7690 -4.7210 -4.7183 -2.5945 -2.5934 -1.0771 -1.0656 -0.4908 -0.4876 0.0704 0.1286 0.3132 0.3182 0.4274 0.4691 0.9322 0.9508 1.6115 1.6302 1.6731 1.7130 1.7795 1.8110 2.0352 2.0855 3.9202 3.9237 k = 0.0000 0.0000 0.0417 ( 9807 PWs) bands (ev): -7.9684 -7.9683 -7.4388 -7.4385 -6.1289 -6.1288 -6.1126 -6.1108 -5.2544 -5.2506 -5.2447 -5.2446 -5.1731 -5.1680 -5.1102 -5.1096 -4.9211 -4.9186 -4.8963 -4.8960 -4.8823 -4.8820 -4.8339 -4.8312 -4.7700 -4.7694 -4.7230 -4.7179 -2.5889 -2.5866 -1.0936 -1.0710 -0.4905 -0.4843 0.0466 0.1626 0.3112 0.3244 0.4151 0.4953 0.9170 0.9549 1.5815 1.6170 1.6707 1.7385 1.7721 1.8247 2.0192 2.1168 3.9142 3.9211 k = 0.0000 0.0000 0.0625 ( 9819 PWs) bands (ev): -7.9650 -7.9649 -7.4403 -7.4398 -6.1309 -6.1309 -6.1150 -6.1125 -5.2550 -5.2496 -5.2445 -5.2444 -5.1749 -5.1673 -5.1112 -5.1102 -4.9214 -4.9176 -4.8964 -4.8958 -4.8824 -4.8818 -4.8346 -4.8305 -4.7713 -4.7700 -4.7254 -4.7181 -2.5793 -2.5758 -1.1164 -1.0837 -0.4888 -0.4800 0.0264 0.1992 0.3071 0.3341 0.4105 0.5239 0.8969 0.9552 1.5521 1.5959 1.6705 1.7406 1.7900 1.8360 2.0102 2.1495 3.9057 3.9156 k = 0.0000 0.0000 0.0833 ( 9819 PWs) bands (ev): -7.9603 -7.9601 -7.4424 -7.4418 -6.1339 -6.1335 -6.1180 -6.1150 -5.2555 -5.2486 -5.2441 -5.2439 -5.1767 -5.1668 -5.1124 -5.1112 -4.9214 -4.9165 -4.8964 -4.8957 -4.8823 -4.8816 -4.8354 -4.8299 -4.7730 -4.7709 -4.7280 -4.7189 -2.5658 -2.5610 -1.1445 -1.1028 -0.4859 -0.4748 0.0094 0.2362 0.3016 0.3470 0.4137 0.5542 0.8709 0.9509 1.5281 1.5706 1.6705 1.7350 1.8145 1.8454 2.0085 2.1814 3.8949 3.9074 k = 0.0000 0.0000 0.1042 ( 9819 PWs) bands (ev): -7.9542 -7.9540 -7.4451 -7.4444 -6.1377 -6.1369 -6.1214 -6.1183 -5.2559 -5.2478 -5.2438 -5.2431 -5.1787 -5.1664 -5.1139 -5.1125 -4.9213 -4.9153 -4.8964 -4.8955 -4.8823 -4.8813 -4.8361 -4.8293 -4.7753 -4.7719 -4.7306 -4.7202 -2.5487 -2.5426 -1.1770 -1.1277 -0.4817 -0.4689 -0.0044 0.2643 0.3050 0.3625 0.4226 0.5859 0.8386 0.9409 1.5118 1.5453 1.6704 1.7310 1.8336 1.8534 2.0144 2.2108 3.8819 3.8964 k = 0.0000 0.0000 0.1250 ( 9811 PWs) bands (ev): -7.9468 -7.9466 -7.4485 -7.4477 -6.1425 -6.1409 -6.1253 -6.1222 -5.2561 -5.2472 -5.2434 -5.2420 -5.1807 -5.1663 -5.1157 -5.1141 -4.9210 -4.9141 -4.8964 -4.8953 -4.8822 -4.8810 -4.8369 -4.8289 -4.7781 -4.7731 -4.7331 -4.7221 -2.5282 -2.5206 -1.2129 -1.1572 -0.4762 -0.4626 -0.0149 0.2666 0.3349 0.3795 0.4348 0.6186 0.7997 0.9239 1.5041 1.5240 1.6705 1.7287 1.8459 1.8608 2.0272 2.2365 3.8667 3.8827 k = 0.0000 0.0000 0.1458 ( 9811 PWs) bands (ev): -7.9382 -7.9379 -7.4527 -7.4518 -6.1479 -6.1455 -6.1294 -6.1267 -5.2562 -5.2467 -5.2430 -5.2406 -5.1827 -5.1664 -5.1177 -5.1160 -4.9205 -4.9128 -4.8964 -4.8951 -4.8821 -4.8807 -4.8378 -4.8286 -4.7812 -4.7744 -4.7355 -4.7243 -2.5045 -2.4953 -1.2514 -1.1904 -0.4695 -0.4561 -0.0221 0.2598 0.3749 0.3967 0.4484 0.6521 0.7548 0.8993 1.5047 1.5091 1.6714 1.7278 1.8523 1.8683 2.0451 2.2576 3.8492 3.8658 k = 0.0000 0.0000 0.1667 ( 9815 PWs) bands (ev): -7.9283 -7.9280 -7.4576 -7.4566 -6.1541 -6.1507 -6.1339 -6.1316 -5.2561 -5.2463 -5.2426 -5.2391 -5.1847 -5.1666 -5.1200 -5.1183 -4.9198 -4.9114 -4.8964 -4.8949 -4.8819 -4.8803 -4.8386 -4.8286 -4.7845 -4.7758 -4.7378 -4.7270 -2.4781 -2.4671 -1.2916 -1.2264 -0.4616 -0.4496 -0.0258 0.2530 0.4126 0.4159 0.4621 0.6857 0.7055 0.8673 1.5011 1.5118 1.6743 1.7283 1.8549 1.8766 2.0665 2.2739 3.8288 3.8456 k = 0.0000 0.0000 0.1875 ( 9815 PWs) bands (ev): -7.9173 -7.9170 -7.4632 -7.4622 -6.1606 -6.1564 -6.1387 -6.1369 -5.2558 -5.2459 -5.2421 -5.2376 -5.1865 -5.1670 -5.1225 -5.1207 -4.9190 -4.9101 -4.8963 -4.8947 -4.8817 -4.8799 -4.8396 -4.8290 -4.7877 -4.7772 -4.7398 -4.7299 -2.4492 -2.4362 -1.3329 -1.2644 -0.4525 -0.4432 -0.0257 0.2479 0.4256 0.4528 0.4777 0.6522 0.7208 0.8291 1.4987 1.5220 1.6812 1.7305 1.8557 1.8863 2.0901 2.2855 3.8049 3.8214 k = 0.0000 0.0000 0.2083 ( 9827 PWs) bands (ev): -7.9051 -7.9047 -7.4698 -7.4687 -6.1675 -6.1624 -6.1438 -6.1425 -5.2554 -5.2455 -5.2416 -5.2361 -5.1882 -5.1675 -5.1252 -5.1235 -4.9181 -4.9087 -4.8963 -4.8944 -4.8815 -4.8795 -4.8406 -4.8299 -4.7905 -4.7786 -4.7418 -4.7330 -2.4182 -2.4031 -1.3748 -1.3037 -0.4423 -0.4370 -0.0218 0.2450 0.4329 0.4706 0.5080 0.5995 0.7554 0.7873 1.4986 1.5310 1.6947 1.7354 1.8562 1.8983 2.1158 2.2931 3.7768 3.7929 k = 0.0000 0.0000 0.2292 ( 9831 PWs) bands (ev): -7.8918 -7.8915 -7.4772 -7.4761 -6.1744 -6.1687 -6.1492 -6.1483 -5.2549 -5.2451 -5.2412 -5.2346 -5.1897 -5.1680 -5.1281 -5.1265 -4.9170 -4.9073 -4.8963 -4.8942 -4.8812 -4.8790 -4.8418 -4.8314 -4.7927 -4.7799 -4.7437 -4.7363 -2.3853 -2.3679 -1.4167 -1.3438 -0.4309 -0.4308 -0.0139 0.2445 0.4292 0.4731 0.5471 0.5527 0.7450 0.7904 1.4970 1.5348 1.7161 1.7443 1.8573 1.9136 2.1441 2.2976 3.7438 3.7596 k = 0.0000 0.0000 0.2500 ( 9807 PWs) bands (ev): -7.8775 -7.8772 -7.4856 -7.4845 -6.1812 -6.1751 -6.1547 -6.1543 -5.2542 -5.2446 -5.2407 -5.2333 -5.1908 -5.1686 -5.1311 -5.1297 -4.9157 -4.9060 -4.8963 -4.8940 -4.8808 -4.8784 -4.8430 -4.8336 -4.7940 -4.7810 -4.7455 -4.7396 -2.3510 -2.3310 -1.4585 -1.3842 -0.4248 -0.4181 -0.0023 0.2463 0.4052 0.4657 0.5214 0.5866 0.7063 0.8256 1.4906 1.5321 1.7438 1.7575 1.8597 1.9330 2.1760 2.3005 3.7055 3.7214 k = 0.0000 0.0000 0.2708 ( 9831 PWs) bands (ev): -7.8623 -7.8620 -7.4950 -7.4939 -6.1878 -6.1814 -6.1605 -6.1603 -5.2534 -5.2441 -5.2402 -5.2322 -5.1916 -5.1693 -5.1342 -5.1330 -4.9144 -4.9047 -4.8963 -4.8938 -4.8805 -4.8777 -4.8443 -4.8364 -4.7945 -4.7820 -4.7474 -4.7430 -2.3156 -2.2928 -1.4998 -1.4247 -0.4183 -0.4039 0.0130 0.2498 0.3605 0.4476 0.5068 0.6238 0.6765 0.8609 1.4775 1.5234 1.7742 1.7744 1.8635 1.9574 2.2127 2.3040 3.6617 3.6783 k = 0.0000 0.0000 0.2917 ( 9838 PWs) bands (ev): -7.8462 -7.8459 -7.5054 -7.5043 -6.1940 -6.1874 -6.1664 -6.1663 -5.2525 -5.2436 -5.2398 -5.2314 -5.1919 -5.1699 -5.1375 -5.1365 -4.9131 -4.9034 -4.8963 -4.8936 -4.8800 -4.8770 -4.8457 -4.8396 -4.7943 -4.7828 -4.7494 -4.7464 -2.2793 -2.2535 -1.5405 -1.4649 -0.4110 -0.3883 0.0315 0.2537 0.3055 0.4200 0.4990 0.6377 0.6778 0.8964 1.4576 1.5100 1.7929 1.8032 1.8687 1.9858 2.2554 2.3113 3.6127 3.6303 k = 0.0000 0.0000 0.3125 ( 9826 PWs) bands (ev): -7.8294 -7.8290 -7.5168 -7.5158 -6.1996 -6.1931 -6.1723 -6.1723 -5.2514 -5.2430 -5.2394 -5.2308 -5.1917 -5.1704 -5.1409 -5.1399 -4.9116 -4.9022 -4.8964 -4.8934 -4.8795 -4.8762 -4.8473 -4.8431 -4.7934 -4.7834 -4.7514 -4.7497 -2.2424 -2.2135 -1.5804 -1.5049 -0.4025 -0.3709 0.0528 0.2474 0.2547 0.3882 0.4915 0.6242 0.7130 0.9321 1.4318 1.4929 1.8110 1.8290 1.8751 2.0146 2.3050 2.3265 3.5588 3.5779 k = 0.0000 0.0000 0.3333 ( 9838 PWs) bands (ev): -7.8118 -7.8115 -7.5292 -7.5282 -6.2046 -6.1982 -6.1781 -6.1781 -5.2504 -5.2424 -5.2391 -5.2306 -5.1910 -5.1708 -5.1444 -5.1434 -4.9102 -4.9010 -4.8965 -4.8933 -4.8789 -4.8753 -4.8490 -4.8467 -4.7920 -4.7836 -4.7535 -4.7530 -2.2052 -2.1730 -1.6195 -1.5444 -0.3924 -0.3516 0.0761 0.1894 0.2452 0.3630 0.4823 0.6105 0.7522 0.9678 1.4012 1.4727 1.8271 1.8515 1.8821 2.0382 2.3543 2.3615 3.5004 3.5212 k = 0.0000 0.0000 0.3542 ( 9830 PWs) bands (ev): -7.7937 -7.7934 -7.5426 -7.5417 -6.2089 -6.2027 -6.1839 -6.1838 -5.2492 -5.2417 -5.2389 -5.2307 -5.1898 -5.1711 -5.1479 -5.1469 -4.9087 -4.8999 -4.8967 -4.8932 -4.8782 -4.8743 -4.8507 -4.8502 -4.7903 -4.7836 -4.7563 -4.7556 -2.1678 -2.1322 -1.6579 -1.5836 -0.3801 -0.3301 0.0963 0.1375 0.2176 0.3549 0.4703 0.5977 0.7921 1.0035 1.3668 1.4501 1.8409 1.8714 1.8890 2.0526 2.3971 2.4244 3.4381 3.4609 k = 0.0000 0.0000 0.3750 ( 9830 PWs) bands (ev): -7.7751 -7.7748 -7.5569 -7.5562 -6.2123 -6.2065 -6.1895 -6.1892 -5.2480 -5.2410 -5.2388 -5.2311 -5.1882 -5.1712 -5.1514 -5.1502 -4.9073 -4.8989 -4.8970 -4.8932 -4.8774 -4.8732 -4.8535 -4.8525 -4.7883 -4.7833 -4.7594 -4.7579 -2.1305 -2.0914 -1.6955 -1.6223 -0.3654 -0.3064 0.0678 0.1377 0.1758 0.3616 0.4556 0.5845 0.8324 1.0392 1.3296 1.4254 1.8525 1.8896 1.8948 2.0571 2.4540 2.4930 3.3721 3.3970 k = 0.0000 0.0000 0.3958 ( 9842 PWs) bands (ev): -7.7561 -7.7558 -7.5722 -7.5715 -6.2148 -6.2095 -6.1948 -6.1942 -5.2468 -5.2403 -5.2389 -5.2316 -5.1862 -5.1711 -5.1549 -5.1534 -4.9059 -4.8980 -4.8973 -4.8932 -4.8765 -4.8720 -4.8567 -4.8544 -4.7861 -4.7827 -4.7624 -4.7603 -2.0934 -2.0506 -1.7325 -1.6608 -0.3479 -0.2801 0.0158 0.1280 0.1647 0.3759 0.4380 0.5704 0.8730 1.0747 1.2904 1.3988 1.8625 1.8992 1.9069 2.0538 2.5214 2.5660 3.3029 3.3300 k = 0.0000 0.0000 0.4167 ( 9838 PWs) bands (ev): -7.7368 -7.7366 -7.5883 -7.5878 -6.2165 -6.2116 -6.1998 -6.1988 -5.2456 -5.2395 -5.2391 -5.2324 -5.1838 -5.1707 -5.1585 -5.1564 -4.9046 -4.8977 -4.8972 -4.8933 -4.8754 -4.8706 -4.8597 -4.8564 -4.7837 -4.7817 -4.7653 -4.7628 -2.0565 -2.0102 -1.7690 -1.6990 -0.3272 -0.2511 -0.0352 0.0785 0.1944 0.3942 0.4178 0.5548 0.9140 1.1100 1.2497 1.3707 1.8713 1.9019 1.9236 2.0453 2.5959 2.6422 3.2307 3.2602 k = 0.0000 0.0000 0.4375 ( 9838 PWs) bands (ev): -7.7174 -7.7173 -7.6053 -7.6048 -6.2172 -6.2129 -6.2043 -6.2029 -5.2444 -5.2394 -5.2387 -5.2332 -5.1812 -5.1700 -5.1620 -5.1593 -4.9034 -4.8982 -4.8964 -4.8935 -4.8742 -4.8691 -4.8625 -4.8583 -4.7811 -4.7805 -4.7681 -4.7653 -2.0200 -1.9701 -1.8050 -1.7371 -0.3031 -0.2194 -0.0836 0.0295 0.2248 0.3950 0.4145 0.5378 0.9553 1.1449 1.2081 1.3413 1.8790 1.9028 1.9401 2.0335 2.6746 2.7205 3.1559 3.1879 k = 0.0000 0.0000 0.4583 ( 9866 PWs) bands (ev): -7.6979 -7.6979 -7.6228 -7.6225 -6.2171 -6.2132 -6.2082 -6.2064 -5.2433 -5.2399 -5.2378 -5.2341 -5.1784 -5.1690 -5.1655 -5.1618 -4.9023 -4.8988 -4.8957 -4.8938 -4.8728 -4.8676 -4.8650 -4.8603 -4.7791 -4.7786 -4.7707 -4.7679 -1.9837 -1.9304 -1.8408 -1.7753 -0.2756 -0.1847 -0.1290 -0.0181 0.2553 0.3701 0.4358 0.5193 0.9970 1.1659 1.1794 1.3107 1.8858 1.9021 1.9565 2.0197 2.7555 2.7998 3.0787 3.1132 k = 0.0000 0.0000 0.4792 ( 9874 PWs) bands (ev): -7.6787 -7.6786 -7.6410 -7.6408 -6.2160 -6.2127 -6.2116 -6.2093 -5.2423 -5.2406 -5.2369 -5.2350 -5.1753 -5.1689 -5.1677 -5.1641 -4.9013 -4.8995 -4.8951 -4.8941 -4.8711 -4.8673 -4.8659 -4.8622 -4.7773 -4.7759 -4.7731 -4.7706 -1.9478 -1.8911 -1.8764 -1.8136 -0.2444 -0.1710 -0.1472 -0.0637 0.2856 0.3433 0.4574 0.4996 1.0389 1.1236 1.2133 1.2791 1.8916 1.8998 1.9728 2.0046 2.8373 2.8794 2.9996 3.0367 k = 0.0000 0.0000 0.5000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0000 0.0000 0.5000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0000 0.0208 0.5000 ( 9862 PWs) bands (ev): -7.6593 -7.6593 -7.6591 -7.6591 -6.2148 -6.2148 -6.2119 -6.2119 -5.2415 -5.2415 -5.2357 -5.2357 -5.1727 -5.1727 -5.1657 -5.1657 -4.9003 -4.9003 -4.8945 -4.8945 -4.8693 -4.8693 -4.8641 -4.8641 -4.7760 -4.7760 -4.7730 -4.7730 -1.9114 -1.9114 -1.8514 -1.8514 -0.2093 -0.2093 -0.1067 -0.1067 0.3125 0.3125 0.4769 0.4769 1.0846 1.0846 1.2503 1.2503 1.8910 1.8910 1.9860 1.9860 2.9211 2.9211 2.9621 2.9621 k = 0.0000 0.0417 0.5000 ( 9860 PWs) bands (ev): -7.6582 -7.6582 -7.6580 -7.6580 -6.2165 -6.2165 -6.2135 -6.2135 -5.2418 -5.2418 -5.2352 -5.2352 -5.1741 -5.1741 -5.1649 -5.1649 -4.9002 -4.9002 -4.8944 -4.8944 -4.8693 -4.8693 -4.8640 -4.8640 -4.7776 -4.7776 -4.7729 -4.7729 -1.9094 -1.9094 -1.8493 -1.8493 -0.2088 -0.2088 -0.1064 -0.1064 0.3050 0.3050 0.4713 0.4713 1.0949 1.0949 1.2613 1.2613 1.8755 1.8755 1.9771 1.9771 2.9278 2.9278 2.9725 2.9725 k = 0.0000 0.0625 0.5000 ( 9854 PWs) bands (ev): -7.6564 -7.6564 -7.6561 -7.6561 -6.2194 -6.2194 -6.2162 -6.2162 -5.2422 -5.2422 -5.2343 -5.2343 -5.1760 -5.1760 -5.1640 -5.1640 -4.9001 -4.9001 -4.8942 -4.8942 -4.8693 -4.8693 -4.8639 -4.8639 -4.7798 -4.7798 -4.7732 -4.7732 -1.9060 -1.9060 -1.8457 -1.8457 -0.2078 -0.2078 -0.1060 -0.1060 0.2930 0.2930 0.4621 0.4621 1.1118 1.1118 1.2793 1.2793 1.8511 1.8511 1.9622 1.9622 2.9387 2.9387 2.9888 2.9888 k = 0.0000 0.0833 0.5000 ( 9842 PWs) bands (ev): -7.6539 -7.6539 -7.6536 -7.6536 -6.2234 -6.2234 -6.2198 -6.2198 -5.2426 -5.2426 -5.2332 -5.2332 -5.1781 -5.1781 -5.1632 -5.1632 -4.8999 -4.8999 -4.8940 -4.8940 -4.8693 -4.8693 -4.8637 -4.8637 -4.7824 -4.7824 -4.7740 -4.7740 -1.9013 -1.9013 -1.8408 -1.8408 -0.2065 -0.2065 -0.1056 -0.1056 0.2771 0.2771 0.4495 0.4495 1.1353 1.1353 1.3035 1.3035 1.8195 1.8195 1.9412 1.9412 2.9537 2.9537 3.0101 3.0101 k = 0.0000 0.1042 0.5000 ( 9836 PWs) bands (ev): -7.6507 -7.6507 -7.6503 -7.6503 -6.2284 -6.2284 -6.2245 -6.2245 -5.2429 -5.2429 -5.2320 -5.2320 -5.1804 -5.1804 -5.1626 -5.1626 -4.8997 -4.8997 -4.8936 -4.8936 -4.8693 -4.8693 -4.8635 -4.8635 -4.7854 -4.7854 -4.7752 -4.7752 -1.8953 -1.8953 -1.8346 -1.8346 -0.2048 -0.2048 -0.1053 -0.1053 0.2579 0.2579 0.4340 0.4340 1.1648 1.1648 1.3333 1.3333 1.7821 1.7821 1.9148 1.9148 2.9722 2.9722 3.0355 3.0355 k = 0.0000 0.1250 0.5000 ( 9828 PWs) bands (ev): -7.6469 -7.6469 -7.6465 -7.6465 -6.2343 -6.2343 -6.2301 -6.2301 -5.2432 -5.2432 -5.2307 -5.2307 -5.1829 -5.1829 -5.1623 -5.1623 -4.8994 -4.8994 -4.8932 -4.8932 -4.8692 -4.8692 -4.8632 -4.8632 -4.7888 -4.7888 -4.7768 -4.7768 -1.8881 -1.8881 -1.8272 -1.8272 -0.2027 -0.2027 -0.1051 -0.1051 0.2363 0.2363 0.4160 0.4160 1.2001 1.2001 1.3677 1.3677 1.7403 1.7403 1.8837 1.8837 2.9936 2.9936 3.0640 3.0640 k = 0.0000 0.1458 0.5000 ( 9838 PWs) bands (ev): -7.6425 -7.6425 -7.6420 -7.6420 -6.2410 -6.2410 -6.2366 -6.2366 -5.2434 -5.2434 -5.2292 -5.2292 -5.1855 -5.1855 -5.1622 -5.1622 -4.8991 -4.8991 -4.8928 -4.8928 -4.8692 -4.8692 -4.8629 -4.8629 -4.7924 -4.7924 -4.7789 -4.7789 -1.8796 -1.8796 -1.8187 -1.8187 -0.2003 -0.2003 -0.1053 -0.1053 0.2129 0.2129 0.3963 0.3963 1.2405 1.2405 1.4057 1.4057 1.6954 1.6954 1.8493 1.8493 3.0173 3.0173 3.0948 3.0948 k = 0.0000 0.1667 0.5000 ( 9838 PWs) bands (ev): -7.6376 -7.6376 -7.6371 -7.6371 -6.2485 -6.2485 -6.2439 -6.2439 -5.2434 -5.2434 -5.2277 -5.2277 -5.1881 -5.1881 -5.1623 -5.1623 -4.8987 -4.8987 -4.8923 -4.8923 -4.8691 -4.8691 -4.8625 -4.8625 -4.7963 -4.7963 -4.7814 -4.7814 -1.8701 -1.8701 -1.8092 -1.8092 -0.1978 -0.1978 -0.1062 -0.1062 0.1886 0.1886 0.3756 0.3756 1.2852 1.2852 1.4458 1.4458 1.6485 1.6485 1.8131 1.8131 3.0427 3.0427 3.1271 3.1271 k = 0.0000 0.1875 0.5000 ( 9840 PWs) bands (ev): -7.6323 -7.6323 -7.6316 -7.6316 -6.2566 -6.2566 -6.2519 -6.2519 -5.2434 -5.2434 -5.2260 -5.2260 -5.1908 -5.1908 -5.1627 -5.1627 -4.8982 -4.8982 -4.8918 -4.8918 -4.8691 -4.8691 -4.8621 -4.8621 -4.8003 -4.8003 -4.7842 -4.7842 -1.8594 -1.8594 -1.7989 -1.7989 -0.1956 -0.1956 -0.1078 -0.1078 0.1642 0.1642 0.3545 0.3545 1.3333 1.3333 1.4855 1.4855 1.6011 1.6011 1.7779 1.7779 3.0693 3.0693 3.1604 3.1604 k = 0.0000 0.2083 0.5000 ( 9838 PWs) bands (ev): -7.6265 -7.6265 -7.6259 -7.6259 -6.2653 -6.2653 -6.2604 -6.2604 -5.2433 -5.2433 -5.2243 -5.2243 -5.1936 -5.1936 -5.1634 -5.1634 -4.8977 -4.8977 -4.8912 -4.8912 -4.8690 -4.8690 -4.8617 -4.8617 -4.8044 -4.8044 -4.7873 -4.7873 -1.8478 -1.8478 -1.7880 -1.7880 -0.1939 -0.1939 -0.1106 -0.1106 0.1408 0.1408 0.3339 0.3339 1.3828 1.3828 1.5192 1.5192 1.5559 1.5559 1.7486 1.7486 3.0969 3.0969 3.1940 3.1940 k = 0.0000 0.2292 0.5000 ( 9840 PWs) bands (ev): -7.6205 -7.6205 -7.6198 -7.6198 -6.2742 -6.2742 -6.2694 -6.2694 -5.2430 -5.2430 -5.2225 -5.2225 -5.1963 -5.1963 -5.1643 -5.1643 -4.8971 -4.8971 -4.8906 -4.8906 -4.8688 -4.8688 -4.8611 -4.8611 -4.8086 -4.8086 -4.7906 -4.7906 -1.8354 -1.8354 -1.7766 -1.7766 -0.1933 -0.1933 -0.1149 -0.1149 0.1192 0.1192 0.3145 0.3145 1.4263 1.4263 1.5129 1.5129 1.5449 1.5449 1.7346 1.7346 3.1251 3.1251 3.2275 3.2275 k = 0.0000 0.2500 0.5000 ( 9844 PWs) bands (ev): -7.6143 -7.6143 -7.6136 -7.6136 -6.2834 -6.2834 -6.2786 -6.2786 -5.2427 -5.2427 -5.2206 -5.2206 -5.1990 -5.1990 -5.1654 -5.1654 -4.8964 -4.8964 -4.8900 -4.8900 -4.8687 -4.8687 -4.8605 -4.8605 -4.8127 -4.8127 -4.7942 -4.7942 -1.8222 -1.8222 -1.7649 -1.7649 -0.1945 -0.1945 -0.1209 -0.1209 0.1007 0.1007 0.2969 0.2969 1.4289 1.4289 1.5096 1.5096 1.5504 1.5504 1.7455 1.7455 3.1536 3.1536 3.2606 3.2606 k = 0.0000 0.2708 0.5000 ( 9844 PWs) bands (ev): -7.6080 -7.6080 -7.6073 -7.6073 -6.2927 -6.2927 -6.2880 -6.2880 -5.2422 -5.2422 -5.2187 -5.2187 -5.2017 -5.2017 -5.1668 -5.1668 -4.8957 -4.8957 -4.8893 -4.8893 -4.8685 -4.8685 -4.8599 -4.8599 -4.8168 -4.8168 -4.7978 -4.7978 -1.8086 -1.8086 -1.7531 -1.7531 -0.1979 -0.1979 -0.1291 -0.1291 0.0865 0.0865 0.2815 0.2815 1.3925 1.3925 1.5001 1.5001 1.5832 1.5832 1.7774 1.7774 3.1822 3.1822 3.2927 3.2927 k = 0.0000 0.2917 0.5000 ( 9844 PWs) bands (ev): -7.6017 -7.6017 -7.6010 -7.6010 -6.3019 -6.3019 -6.2974 -6.2974 -5.2416 -5.2416 -5.2168 -5.2168 -5.2043 -5.2043 -5.1684 -5.1684 -4.8949 -4.8949 -4.8887 -4.8887 -4.8682 -4.8682 -4.8591 -4.8591 -4.8208 -4.8208 -4.8016 -4.8016 -1.7945 -1.7945 -1.7414 -1.7414 -0.2038 -0.2038 -0.1397 -0.1397 0.0774 0.0774 0.2684 0.2684 1.3507 1.3507 1.4671 1.4671 1.6372 1.6372 1.8195 1.8195 3.2110 3.2110 3.3235 3.3235 k = 0.0000 0.3125 0.5000 ( 9828 PWs) bands (ev): -7.5955 -7.5955 -7.5949 -7.5949 -6.3108 -6.3108 -6.3065 -6.3065 -5.2408 -5.2408 -5.2149 -5.2149 -5.2067 -5.2067 -5.1702 -5.1702 -4.8941 -4.8941 -4.8881 -4.8881 -4.8678 -4.8678 -4.8583 -4.8583 -4.8245 -4.8245 -4.8054 -4.8054 -1.7804 -1.7804 -1.7302 -1.7302 -0.2120 -0.2120 -0.1527 -0.1527 0.0739 0.0739 0.2576 0.2576 1.3101 1.3101 1.4279 1.4279 1.6950 1.6950 1.8649 1.8649 3.2396 3.2396 3.3526 3.3526 k = 0.0000 0.3333 0.5000 ( 9828 PWs) bands (ev): -7.5896 -7.5896 -7.5890 -7.5890 -6.3193 -6.3193 -6.3153 -6.3153 -5.2399 -5.2399 -5.2135 -5.2135 -5.2085 -5.2085 -5.1722 -5.1722 -4.8933 -4.8933 -4.8876 -4.8876 -4.8674 -4.8674 -4.8575 -4.8575 -4.8281 -4.8281 -4.8092 -4.8092 -1.7663 -1.7663 -1.7196 -1.7196 -0.2219 -0.2219 -0.1678 -0.1678 0.0758 0.0758 0.2487 0.2487 1.2723 1.2723 1.3871 1.3871 1.7528 1.7528 1.9100 1.9100 3.2680 3.2680 3.3795 3.3795 k = 0.0000 0.3542 0.5000 ( 9830 PWs) bands (ev): -7.5840 -7.5840 -7.5835 -7.5835 -6.3273 -6.3273 -6.3236 -6.3236 -5.2389 -5.2389 -5.2139 -5.2139 -5.2084 -5.2084 -5.1743 -5.1743 -4.8924 -4.8924 -4.8871 -4.8871 -4.8668 -4.8668 -4.8567 -4.8567 -4.8313 -4.8313 -4.8130 -4.8130 -1.7525 -1.7525 -1.7099 -1.7099 -0.2328 -0.2328 -0.1841 -0.1841 0.0822 0.0822 0.2412 0.2412 1.2383 1.2383 1.3469 1.3469 1.8092 1.8092 1.9526 1.9526 3.2961 3.2961 3.4037 3.4037 k = 0.0000 0.3750 0.5000 ( 9826 PWs) bands (ev): -7.5789 -7.5789 -7.5784 -7.5784 -6.3345 -6.3345 -6.3312 -6.3312 -5.2378 -5.2378 -5.2158 -5.2158 -5.2066 -5.2066 -5.1766 -5.1766 -4.8915 -4.8915 -4.8867 -4.8867 -4.8661 -4.8661 -4.8559 -4.8559 -4.8341 -4.8341 -4.8167 -4.8167 -1.7393 -1.7393 -1.7014 -1.7014 -0.2437 -0.2437 -0.2009 -0.2009 0.0922 0.0922 0.2346 0.2346 1.2089 1.2089 1.3084 1.3084 1.8628 1.8628 1.9910 1.9910 3.3236 3.3236 3.4246 3.4246 k = 0.0000 0.3958 0.5000 ( 9810 PWs) bands (ev): -7.5744 -7.5744 -7.5739 -7.5739 -6.3408 -6.3408 -6.3380 -6.3380 -5.2365 -5.2365 -5.2180 -5.2180 -5.2044 -5.2044 -5.1790 -5.1790 -4.8907 -4.8907 -4.8865 -4.8865 -4.8652 -4.8652 -4.8554 -4.8554 -4.8363 -4.8363 -4.8203 -4.8203 -1.7270 -1.7270 -1.6943 -1.6943 -0.2539 -0.2539 -0.2174 -0.2174 0.1049 0.1049 0.2280 0.2280 1.1847 1.1847 1.2725 1.2725 1.9127 1.9127 2.0237 2.0237 3.3503 3.3503 3.4416 3.4416 k = 0.0000 0.4167 0.5000 ( 9812 PWs) bands (ev): -7.5705 -7.5705 -7.5701 -7.5701 -6.3461 -6.3461 -6.3438 -6.3438 -5.2352 -5.2352 -5.2202 -5.2202 -5.2020 -5.2020 -5.1814 -5.1814 -4.8899 -4.8899 -4.8864 -4.8864 -4.8642 -4.8642 -4.8552 -4.8552 -4.8378 -4.8378 -4.8237 -4.8237 -1.7157 -1.7157 -1.6889 -1.6889 -0.2624 -0.2624 -0.2326 -0.2326 0.1192 0.1192 0.2209 0.2209 1.1662 1.1662 1.2399 1.2399 1.9577 1.9577 2.0496 2.0496 3.3757 3.3757 3.4541 3.4541 k = 0.0000 0.4375 0.5000 ( 9812 PWs) bands (ev): -7.5674 -7.5674 -7.5671 -7.5671 -6.3503 -6.3503 -6.3486 -6.3486 -5.2337 -5.2337 -5.2224 -5.2224 -5.1995 -5.1995 -5.1840 -5.1840 -4.8891 -4.8891 -4.8864 -4.8864 -4.8631 -4.8631 -4.8555 -4.8555 -4.8384 -4.8384 -4.8269 -4.8269 -1.7058 -1.7058 -1.6852 -1.6852 -0.2688 -0.2688 -0.2461 -0.2461 0.1345 0.1345 0.2127 0.2127 1.1539 1.1539 1.2113 1.2113 1.9969 1.9969 2.0678 2.0678 3.3993 3.3993 3.4616 3.4616 k = 0.0000 0.4583 0.5000 ( 9804 PWs) bands (ev): -7.5651 -7.5651 -7.5649 -7.5649 -6.3532 -6.3532 -6.3521 -6.3521 -5.2321 -5.2321 -5.2245 -5.2245 -5.1970 -5.1970 -5.1865 -5.1865 -4.8884 -4.8884 -4.8865 -4.8865 -4.8618 -4.8618 -4.8563 -4.8563 -4.8380 -4.8380 -4.8299 -4.8299 -1.6975 -1.6975 -1.6836 -1.6836 -0.2726 -0.2726 -0.2572 -0.2572 0.1500 0.1500 0.2031 0.2031 1.1480 1.1480 1.1874 1.1874 2.0293 2.0293 2.0776 2.0776 3.4204 3.4204 3.4637 3.4637 k = 0.0000 0.4792 0.5000 ( 9796 PWs) bands (ev): -7.5637 -7.5637 -7.5636 -7.5636 -6.3549 -6.3549 -6.3544 -6.3544 -5.2303 -5.2303 -5.2266 -5.2266 -5.1944 -5.1944 -5.1891 -5.1891 -4.8877 -4.8877 -4.8868 -4.8868 -4.8604 -4.8604 -4.8575 -4.8575 -4.8368 -4.8368 -4.8326 -4.8326 -1.6911 -1.6911 -1.6840 -1.6840 -0.2733 -0.2733 -0.2656 -0.2656 0.1650 0.1650 0.1919 0.1919 1.1485 1.1485 1.1686 1.1686 2.0541 2.0541 2.0786 2.0786 3.4381 3.4381 3.4603 3.4603 k = 0.0000 0.5000 0.5000 ( 9844 PWs) bands (ev): -7.5632 -7.5632 -7.5632 -7.5632 -6.3553 -6.3553 -6.3553 -6.3553 -5.2285 -5.2285 -5.2285 -5.2285 -5.1918 -5.1918 -5.1918 -5.1918 -4.8872 -4.8872 -4.8872 -4.8872 -4.8590 -4.8590 -4.8590 -4.8590 -4.8350 -4.8350 -4.8350 -4.8350 -1.6865 -1.6865 -1.6865 -1.6865 -0.2710 -0.2710 -0.2710 -0.2710 0.1791 0.1791 0.1791 0.1791 1.1555 1.1555 1.1555 1.1555 2.0707 2.0707 2.0707 2.0707 3.4516 3.4516 3.4516 3.4516 k = 0.0000 0.5000 0.5000 ( 9844 PWs) bands (ev): -7.5632 -7.5632 -7.5632 -7.5632 -6.3553 -6.3553 -6.3553 -6.3553 -5.2285 -5.2285 -5.2285 -5.2285 -5.1918 -5.1918 -5.1918 -5.1918 -4.8872 -4.8872 -4.8872 -4.8872 -4.8590 -4.8590 -4.8590 -4.8590 -4.8350 -4.8350 -4.8350 -4.8350 -1.6865 -1.6865 -1.6865 -1.6865 -0.2710 -0.2710 -0.2710 -0.2710 0.1791 0.1791 0.1791 0.1791 1.1555 1.1555 1.1555 1.1555 2.0707 2.0707 2.0707 2.0707 3.4516 3.4516 3.4516 3.4516 k = 0.0208 0.5000 0.5000 ( 9800 PWs) bands (ev): -7.5632 -7.5632 -7.5631 -7.5631 -6.3617 -6.3617 -6.3487 -6.3487 -5.2289 -5.2289 -5.2284 -5.2284 -5.1931 -5.1931 -5.1900 -5.1900 -4.8885 -4.8885 -4.8860 -4.8860 -4.8619 -4.8619 -4.8560 -4.8560 -4.8359 -4.8359 -4.8335 -4.8335 -1.7620 -1.7620 -1.6103 -1.6103 -0.2880 -0.2880 -0.2641 -0.2641 0.1675 0.1675 0.2013 0.2013 1.0973 1.0973 1.2158 1.2158 2.0707 2.0707 2.0711 2.0711 3.4023 3.4023 3.4968 3.4968 k = 0.0417 0.5000 0.5000 ( 9800 PWs) bands (ev): -7.5631 -7.5631 -7.5630 -7.5630 -6.3678 -6.3678 -6.3420 -6.3420 -5.2295 -5.2295 -5.2286 -5.2286 -5.1942 -5.1942 -5.1880 -5.1880 -4.8899 -4.8899 -4.8850 -4.8850 -4.8648 -4.8648 -4.8532 -4.8532 -4.8366 -4.8366 -4.8316 -4.8316 -1.8367 -1.8367 -1.5337 -1.5337 -0.3129 -0.3129 -0.2685 -0.2685 0.1674 0.1674 0.2317 0.2317 1.0416 1.0416 1.2778 1.2778 2.0710 2.0710 2.0718 2.0718 3.3493 3.3493 3.5378 3.5378 k = 0.0625 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5630 -7.5630 -7.5628 -7.5628 -6.3737 -6.3737 -6.3351 -6.3351 -5.2303 -5.2303 -5.2290 -5.2290 -5.1948 -5.1948 -5.1857 -5.1857 -4.8915 -4.8915 -4.8840 -4.8840 -4.8676 -4.8676 -4.8507 -4.8507 -4.8371 -4.8371 -4.8290 -4.8290 -1.9101 -1.9101 -1.4571 -1.4571 -0.3433 -0.3433 -0.2833 -0.2833 0.1780 0.1780 0.2680 0.2680 0.9890 0.9890 1.3410 1.3410 2.0716 2.0716 2.0731 2.0731 3.2926 3.2926 3.5746 3.5746 k = 0.0833 0.5000 0.5000 ( 9816 PWs) bands (ev): -7.5629 -7.5629 -7.5626 -7.5626 -6.3793 -6.3793 -6.3281 -6.3281 -5.2313 -5.2313 -5.2297 -5.2297 -5.1950 -5.1950 -5.1833 -5.1833 -4.8931 -4.8931 -4.8831 -4.8831 -4.8702 -4.8702 -4.8485 -4.8485 -4.8374 -4.8374 -4.8258 -4.8258 -1.9821 -1.9821 -1.3807 -1.3807 -0.3772 -0.3772 -0.3065 -0.3065 0.1970 0.1970 0.3084 0.3084 0.9398 0.9398 1.4050 1.4050 2.0723 2.0723 2.0750 2.0750 3.2328 3.2328 3.6072 3.6072 k = 0.1042 0.5000 0.5000 ( 9816 PWs) bands (ev): -7.5626 -7.5626 -7.5623 -7.5623 -6.3847 -6.3847 -6.3210 -6.3210 -5.2325 -5.2325 -5.2305 -5.2305 -5.1950 -5.1950 -5.1807 -5.1807 -4.8949 -4.8949 -4.8823 -4.8823 -4.8725 -4.8725 -4.8467 -4.8467 -4.8375 -4.8375 -4.8220 -4.8220 -2.0525 -2.0525 -1.3050 -1.3050 -0.4132 -0.4132 -0.3356 -0.3356 0.2218 0.2218 0.3512 0.3512 0.8946 0.8946 1.4693 1.4693 2.0731 2.0731 2.0775 2.0775 3.1702 3.1702 3.6356 3.6356 k = 0.1250 0.5000 0.5000 ( 9796 PWs) bands (ev): -7.5624 -7.5624 -7.5620 -7.5620 -6.3897 -6.3897 -6.3138 -6.3138 -5.2338 -5.2338 -5.2314 -5.2314 -5.1946 -5.1946 -5.1779 -5.1779 -4.8968 -4.8968 -4.8816 -4.8816 -4.8746 -4.8746 -4.8451 -4.8451 -4.8375 -4.8375 -4.8175 -4.8175 -2.1210 -2.1210 -1.2304 -1.2304 -0.4503 -0.4503 -0.3681 -0.3681 0.2499 0.2499 0.3955 0.3955 0.8539 0.8539 1.5335 1.5335 2.0739 2.0739 2.0807 2.0807 3.1052 3.1052 3.6602 3.6602 k = 0.1458 0.5000 0.5000 ( 9812 PWs) bands (ev): -7.5621 -7.5621 -7.5616 -7.5616 -6.3945 -6.3945 -6.3067 -6.3067 -5.2352 -5.2352 -5.2324 -5.2324 -5.1940 -5.1940 -5.1752 -5.1752 -4.8988 -4.8988 -4.8809 -4.8809 -4.8764 -4.8764 -4.8438 -4.8438 -4.8374 -4.8374 -4.8126 -4.8126 -2.1875 -2.1875 -1.1575 -1.1575 -0.4876 -0.4876 -0.4026 -0.4026 0.2794 0.2794 0.4404 0.4404 0.8185 0.8185 1.5971 1.5971 2.0745 2.0745 2.0848 2.0848 3.0383 3.0383 3.6810 3.6810 k = 0.1667 0.5000 0.5000 ( 9780 PWs) bands (ev): -7.5617 -7.5617 -7.5612 -7.5612 -6.3990 -6.3990 -6.2996 -6.2996 -5.2368 -5.2368 -5.2334 -5.2334 -5.1932 -5.1932 -5.1723 -5.1723 -4.9007 -4.9007 -4.8803 -4.8803 -4.8780 -4.8780 -4.8427 -4.8427 -4.8372 -4.8372 -4.8073 -4.8073 -2.2517 -2.2517 -1.0867 -1.0867 -0.5246 -0.5246 -0.4376 -0.4376 0.3089 0.3089 0.4852 0.4852 0.7888 0.7888 1.6593 1.6593 2.0749 2.0749 2.0900 2.0900 2.9699 2.9699 3.6984 3.6984 k = 0.1875 0.5000 0.5000 ( 9804 PWs) bands (ev): -7.5614 -7.5614 -7.5608 -7.5608 -6.4031 -6.4031 -6.2926 -6.2926 -5.2384 -5.2384 -5.2344 -5.2344 -5.1923 -5.1923 -5.1696 -5.1696 -4.9027 -4.9027 -4.8801 -4.8801 -4.8792 -4.8792 -4.8417 -4.8417 -4.8370 -4.8370 -4.8018 -4.8018 -2.3134 -2.3134 -1.0188 -1.0188 -0.5608 -0.5608 -0.4721 -0.4721 0.3373 0.3373 0.5293 0.5293 0.7654 0.7654 1.7196 1.7196 2.0748 2.0748 2.0967 2.0967 2.9007 2.9007 3.7126 3.7126 k = 0.2083 0.5000 0.5000 ( 9792 PWs) bands (ev): -7.5610 -7.5610 -7.5603 -7.5603 -6.4070 -6.4070 -6.2858 -6.2858 -5.2399 -5.2399 -5.2354 -5.2354 -5.1913 -5.1913 -5.1668 -5.1668 -4.9047 -4.9047 -4.8809 -4.8809 -4.8791 -4.8791 -4.8407 -4.8407 -4.8366 -4.8366 -4.7961 -4.7961 -2.3725 -2.3725 -0.9545 -0.9545 -0.5959 -0.5959 -0.5055 -0.5055 0.3640 0.3640 0.5724 0.5724 0.7486 0.7486 1.7770 1.7770 2.0741 2.0741 2.1052 2.1052 2.8313 2.8313 3.7240 3.7240 k = 0.2292 0.5000 0.5000 ( 9792 PWs) bands (ev): -7.5606 -7.5606 -7.5598 -7.5598 -6.4105 -6.4105 -6.2791 -6.2791 -5.2415 -5.2415 -5.2363 -5.2363 -5.1902 -5.1902 -5.1641 -5.1641 -4.9066 -4.9066 -4.8820 -4.8820 -4.8788 -4.8788 -4.8399 -4.8399 -4.8363 -4.8363 -4.7902 -4.7902 -2.4287 -2.4287 -0.8948 -0.8948 -0.6296 -0.6296 -0.5368 -0.5368 0.3888 0.3888 0.6140 0.6140 0.7386 0.7386 1.8304 1.8304 2.0725 2.0725 2.1161 2.1161 2.7623 2.7623 3.7327 3.7327 k = 0.2500 0.5000 0.5000 ( 9780 PWs) bands (ev): -7.5601 -7.5601 -7.5594 -7.5594 -6.4137 -6.4137 -6.2727 -6.2727 -5.2431 -5.2431 -5.2372 -5.2372 -5.1891 -5.1891 -5.1615 -5.1615 -4.9084 -4.9084 -4.8830 -4.8830 -4.8784 -4.8784 -4.8391 -4.8391 -4.8358 -4.8358 -4.7843 -4.7843 -2.4818 -2.4818 -0.8409 -0.8409 -0.6615 -0.6615 -0.5651 -0.5651 0.4121 0.4121 0.6537 0.6537 0.7351 0.7351 1.8786 1.8786 2.0696 2.0696 2.1305 2.1305 2.6945 2.6945 3.7390 3.7390 k = 0.2708 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5597 -7.5597 -7.5589 -7.5589 -6.4167 -6.4167 -6.2666 -6.2666 -5.2446 -5.2446 -5.2381 -5.2381 -5.1881 -5.1881 -5.1590 -5.1590 -4.9102 -4.9102 -4.8839 -4.8839 -4.8780 -4.8780 -4.8384 -4.8384 -4.8354 -4.8354 -4.7785 -4.7785 -2.5317 -2.5317 -0.7949 -0.7949 -0.6915 -0.6915 -0.5887 -0.5887 0.4347 0.4347 0.6906 0.6906 0.7376 0.7376 1.9201 1.9201 2.0650 2.0650 2.1490 2.1490 2.6289 2.6289 3.7432 3.7432 k = 0.2917 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5593 -7.5593 -7.5584 -7.5584 -6.4193 -6.4193 -6.2608 -6.2608 -5.2460 -5.2460 -5.2388 -5.2388 -5.1870 -5.1870 -5.1567 -5.1567 -4.9118 -4.9118 -4.8847 -4.8847 -4.8778 -4.8778 -4.8378 -4.8378 -4.8349 -4.8349 -4.7727 -4.7727 -2.5781 -2.5781 -0.7601 -0.7601 -0.7193 -0.7193 -0.6045 -0.6045 0.4575 0.4575 0.7226 0.7226 0.7466 0.7466 1.9540 1.9540 2.0583 2.0583 2.1723 2.1723 2.5665 2.5665 3.7456 3.7456 k = 0.3125 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5589 -7.5589 -7.5580 -7.5580 -6.4217 -6.4217 -6.2554 -6.2554 -5.2473 -5.2473 -5.2396 -5.2396 -5.1860 -5.1860 -5.1545 -5.1545 -4.9133 -4.9133 -4.8854 -4.8854 -4.8775 -4.8775 -4.8373 -4.8373 -4.8343 -4.8343 -4.7671 -4.7671 -2.6208 -2.6208 -0.7468 -0.7468 -0.7392 -0.7392 -0.6081 -0.6081 0.4816 0.4816 0.7427 0.7427 0.7676 0.7676 1.9802 1.9802 2.0488 2.0488 2.1999 2.1999 2.5087 2.5087 3.7464 3.7464 k = 0.3333 0.5000 0.5000 ( 9812 PWs) bands (ev): -7.5585 -7.5585 -7.5575 -7.5575 -6.4238 -6.4238 -6.2504 -6.2504 -5.2484 -5.2484 -5.2402 -5.2402 -5.1851 -5.1851 -5.1525 -5.1525 -4.9147 -4.9147 -4.8860 -4.8860 -4.8773 -4.8773 -4.8368 -4.8368 -4.8338 -4.8338 -4.7617 -4.7617 -2.6597 -2.6597 -0.7690 -0.7690 -0.7380 -0.7380 -0.5985 -0.5985 0.5077 0.5077 0.7546 0.7546 0.7951 0.7951 1.9995 1.9995 2.0362 2.0362 2.2302 2.2302 2.4568 2.4568 3.7460 3.7460 k = 0.3542 0.5000 0.5000 ( 9820 PWs) bands (ev): -7.5582 -7.5582 -7.5572 -7.5572 -6.4257 -6.4257 -6.2460 -6.2460 -5.2495 -5.2495 -5.2408 -5.2408 -5.1843 -5.1843 -5.1507 -5.1507 -4.9159 -4.9159 -4.8865 -4.8865 -4.8771 -4.8771 -4.8364 -4.8364 -4.8333 -4.8333 -4.7568 -4.7568 -2.6945 -2.6945 -0.7898 -0.7898 -0.7459 -0.7459 -0.5818 -0.5818 0.5360 0.5360 0.7643 0.7643 0.8215 0.8215 2.0108 2.0108 2.0226 2.0226 2.2613 2.2613 2.4120 2.4120 3.7445 3.7445 k = 0.3750 0.5000 0.5000 ( 9836 PWs) bands (ev): -7.5578 -7.5578 -7.5568 -7.5568 -6.4272 -6.4272 -6.2420 -6.2420 -5.2505 -5.2505 -5.2413 -5.2413 -5.1835 -5.1835 -5.1491 -5.1491 -4.9170 -4.9170 -4.8870 -4.8870 -4.8769 -4.8769 -4.8361 -4.8361 -4.8328 -4.8328 -4.7522 -4.7522 -2.7251 -2.7251 -0.8080 -0.8080 -0.7574 -0.7574 -0.5642 -0.5642 0.5663 0.5663 0.7722 0.7722 0.8451 0.8451 1.9973 1.9973 2.0266 2.0266 2.2908 2.2908 2.3754 2.3754 3.7424 3.7424 k = 0.3958 0.5000 0.5000 ( 9828 PWs) bands (ev): -7.5576 -7.5576 -7.5565 -7.5565 -6.4285 -6.4285 -6.2386 -6.2386 -5.2513 -5.2513 -5.2418 -5.2418 -5.1828 -5.1828 -5.1477 -5.1477 -4.9179 -4.9179 -4.8873 -4.8873 -4.8768 -4.8768 -4.8358 -4.8358 -4.8324 -4.8324 -4.7482 -4.7482 -2.7513 -2.7513 -0.8236 -0.8236 -0.7693 -0.7693 -0.5486 -0.5486 0.5979 0.5979 0.7776 0.7776 0.8655 0.8655 1.9752 1.9752 2.0340 2.0340 2.3154 2.3154 2.3492 2.3492 3.7399 3.7399 k = 0.4167 0.5000 0.5000 ( 9848 PWs) bands (ev): -7.5573 -7.5573 -7.5562 -7.5562 -6.4296 -6.4296 -6.2357 -6.2357 -5.2520 -5.2520 -5.2421 -5.2421 -5.1823 -5.1823 -5.1466 -5.1466 -4.9187 -4.9187 -4.8877 -4.8877 -4.8767 -4.8767 -4.8356 -4.8356 -4.8321 -4.8321 -4.7448 -4.7448 -2.7729 -2.7729 -0.8365 -0.8365 -0.7800 -0.7800 -0.5360 -0.5360 0.6298 0.6298 0.7798 0.7798 0.8825 0.8825 1.9521 1.9521 2.0397 2.0397 2.3173 2.3173 2.3494 2.3494 3.7373 3.7373 k = 0.4375 0.5000 0.5000 ( 9864 PWs) bands (ev): -7.5571 -7.5571 -7.5560 -7.5560 -6.4304 -6.4304 -6.2335 -6.2335 -5.2525 -5.2525 -5.2424 -5.2424 -5.1819 -5.1819 -5.1457 -5.1457 -4.9193 -4.9193 -4.8879 -4.8879 -4.8766 -4.8766 -4.8354 -4.8354 -4.8318 -4.8318 -4.7420 -4.7420 -2.7899 -2.7899 -0.8466 -0.8466 -0.7888 -0.7888 -0.5264 -0.5264 0.6605 0.6605 0.7781 0.7781 0.8959 0.8959 1.9306 1.9306 2.0438 2.0438 2.3045 2.3045 2.3660 2.3660 3.7350 3.7350 k = 0.4583 0.5000 0.5000 ( 9864 PWs) bands (ev): -7.5570 -7.5570 -7.5559 -7.5559 -6.4310 -6.4310 -6.2319 -6.2319 -5.2529 -5.2529 -5.2426 -5.2426 -5.1816 -5.1816 -5.1450 -5.1450 -4.9197 -4.9197 -4.8881 -4.8881 -4.8766 -4.8766 -4.8353 -4.8353 -4.8316 -4.8316 -4.7400 -4.7400 -2.8021 -2.8021 -0.8538 -0.8538 -0.7953 -0.7953 -0.5198 -0.5198 0.6886 0.6886 0.7723 0.7723 0.9055 0.9055 1.9131 1.9131 2.0467 2.0467 2.2949 2.2949 2.3797 2.3797 3.7331 3.7331 k = 0.4792 0.5000 0.5000 ( 9848 PWs) bands (ev): -7.5569 -7.5569 -7.5558 -7.5558 -6.4314 -6.4314 -6.2309 -6.2309 -5.2531 -5.2531 -5.2428 -5.2428 -5.1814 -5.1814 -5.1446 -5.1446 -4.9200 -4.9200 -4.8881 -4.8881 -4.8765 -4.8765 -4.8352 -4.8352 -4.8314 -4.8314 -4.7388 -4.7388 -2.8095 -2.8095 -0.8582 -0.8582 -0.7992 -0.7992 -0.5159 -0.5159 0.7117 0.7117 0.7634 0.7634 0.9113 0.9113 1.9017 1.9017 2.0483 2.0483 2.2894 2.2894 2.3882 2.3882 3.7319 3.7319 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5569 -7.5569 -7.5558 -7.5558 -6.4315 -6.4315 -6.2306 -6.2306 -5.2531 -5.2531 -5.2428 -5.2428 -5.1813 -5.1813 -5.1445 -5.1445 -4.9200 -4.9200 -4.8882 -4.8882 -4.8765 -4.8765 -4.8351 -4.8351 -4.8313 -4.8313 -4.7384 -4.7384 -2.8120 -2.8120 -0.8596 -0.8596 -0.8005 -0.8005 -0.5147 -0.5147 0.7227 0.7227 0.7571 0.7571 0.9133 0.9133 1.8978 1.8978 2.0489 2.0489 2.2876 2.2876 2.3911 2.3911 3.7315 3.7315 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5569 -7.5569 -7.5558 -7.5558 -6.4315 -6.4315 -6.2306 -6.2306 -5.2531 -5.2531 -5.2428 -5.2428 -5.1813 -5.1813 -5.1445 -5.1445 -4.9200 -4.9200 -4.8882 -4.8882 -4.8765 -4.8765 -4.8351 -4.8351 -4.8313 -4.8313 -4.7384 -4.7384 -2.8120 -2.8120 -0.8596 -0.8596 -0.8005 -0.8005 -0.5147 -0.5147 0.7227 0.7227 0.7571 0.7571 0.9133 0.9133 1.8978 1.8978 2.0489 2.0489 2.2876 2.2876 2.3911 2.3911 3.7315 3.7315 k = 0.4853 0.4853 0.5000 ( 9844 PWs) bands (ev): -7.5571 -7.5570 -7.5560 -7.5559 -6.4311 -6.4311 -6.2311 -6.2302 -5.2533 -5.2528 -5.2428 -5.2427 -5.1814 -5.1813 -5.1466 -5.1426 -4.9201 -4.9198 -4.8884 -4.8880 -4.8766 -4.8765 -4.8353 -4.8352 -4.8314 -4.8313 -4.7401 -4.7371 -2.8101 -2.8098 -0.8592 -0.8579 -0.8052 -0.7937 -0.5188 -0.5082 0.6657 0.6783 0.7845 0.7980 0.9133 0.9352 1.8910 1.9056 2.0466 2.0503 2.2822 2.2922 2.3871 2.3913 3.7253 3.7401 k = 0.4706 0.4706 0.5000 ( 9864 PWs) bands (ev): -7.5577 -7.5576 -7.5566 -7.5565 -6.4300 -6.4299 -6.2317 -6.2299 -5.2534 -5.2524 -5.2427 -5.2425 -5.1816 -5.1814 -5.1489 -5.1409 -4.9201 -4.9193 -4.8885 -4.8877 -4.8766 -4.8764 -4.8357 -4.8354 -4.8313 -4.8312 -4.7424 -4.7364 -2.8044 -2.8038 -0.8572 -0.8538 -0.8071 -0.7850 -0.5207 -0.4995 0.5905 0.6078 0.8009 0.8274 0.9401 0.9753 1.8851 1.9135 2.0431 2.0516 2.2754 2.2969 2.3798 2.3876 3.7217 3.7509 k = 0.4559 0.4559 0.5000 ( 9872 PWs) bands (ev): -7.5587 -7.5586 -7.5577 -7.5574 -6.4280 -6.4279 -6.2324 -6.2297 -5.2533 -5.2519 -5.2425 -5.2421 -5.1819 -5.1816 -5.1514 -5.1395 -4.9199 -4.9187 -4.8886 -4.8874 -4.8766 -4.8764 -4.8363 -4.8357 -4.8313 -4.8310 -4.7450 -4.7361 -2.7947 -2.7939 -0.8545 -0.8476 -0.8054 -0.7744 -0.5206 -0.4890 0.5118 0.5309 0.8020 0.8330 0.9865 1.0234 1.8791 1.9197 2.0381 2.0539 2.2671 2.3030 2.3703 2.3803 3.7202 3.7635 k = 0.4412 0.4412 0.5000 ( 9842 PWs) bands (ev): -7.5601 -7.5599 -7.5591 -7.5587 -6.4253 -6.4252 -6.2332 -6.2296 -5.2531 -5.2512 -5.2420 -5.2416 -5.1823 -5.1818 -5.1539 -5.1382 -4.9195 -4.9180 -4.8886 -4.8871 -4.8766 -4.8762 -4.8370 -4.8360 -4.8313 -4.8307 -4.7479 -4.7363 -2.7814 -2.7802 -0.8522 -0.8394 -0.7992 -0.7617 -0.5192 -0.4770 0.4324 0.4517 0.7944 0.8274 1.0370 1.0712 1.8716 1.9217 2.0317 2.0578 2.2574 2.3116 2.3607 2.3702 3.7203 3.7770 k = 0.4265 0.4265 0.5000 ( 9840 PWs) bands (ev): -7.5619 -7.5617 -7.5609 -7.5604 -6.4218 -6.4217 -6.2340 -6.2296 -5.2529 -5.2505 -5.2415 -5.2410 -5.1827 -5.1823 -5.1564 -5.1373 -4.9190 -4.9170 -4.8886 -4.8867 -4.8766 -4.8761 -4.8379 -4.8363 -4.8315 -4.8305 -4.7512 -4.7369 -2.7643 -2.7629 -0.8509 -0.8298 -0.7879 -0.7466 -0.5174 -0.4645 0.3545 0.3728 0.7811 0.8164 1.0847 1.1150 1.8609 1.9177 2.0238 2.0621 2.2462 2.3223 2.3539 2.3596 3.7212 3.7905 k = 0.4118 0.4118 0.5000 ( 9840 PWs) bands (ev): -7.5640 -7.5639 -7.5630 -7.5624 -6.4176 -6.4174 -6.2348 -6.2297 -5.2525 -5.2498 -5.2407 -5.2402 -5.1833 -5.1830 -5.1589 -5.1366 -4.9183 -4.9160 -4.8886 -4.8862 -4.8765 -4.8760 -4.8389 -4.8367 -4.8318 -4.8303 -4.7545 -4.7379 -2.7439 -2.7422 -0.8507 -0.8193 -0.7719 -0.7288 -0.5165 -0.4525 0.2802 0.2967 0.7636 0.8015 1.1278 1.1534 1.8458 1.9074 2.0138 2.0633 2.2333 2.3243 2.3543 2.3612 3.7222 3.8030 k = 0.3971 0.3971 0.5000 ( 9840 PWs) bands (ev): -7.5665 -7.5664 -7.5656 -7.5648 -6.4126 -6.4124 -6.2356 -6.2298 -5.2521 -5.2492 -5.2397 -5.2393 -5.1840 -5.1840 -5.1612 -5.1361 -4.9175 -4.9148 -4.8885 -4.8857 -4.8765 -4.8759 -4.8399 -4.8370 -4.8324 -4.8300 -4.7580 -4.7392 -2.7202 -2.7183 -0.8515 -0.8088 -0.7518 -0.7080 -0.5182 -0.4425 0.2122 0.2258 0.7426 0.7834 1.1657 1.1860 1.8259 1.8916 2.0014 2.0572 2.2180 2.3099 2.3661 2.3837 3.7222 3.8135 k = 0.3824 0.3824 0.5000 ( 9826 PWs) bands (ev): -7.5694 -7.5692 -7.5684 -7.5676 -6.4069 -6.4067 -6.2364 -6.2299 -5.2517 -5.2485 -5.2384 -5.2381 -5.1853 -5.1848 -5.1633 -5.1358 -4.9167 -4.9136 -4.8883 -4.8851 -4.8765 -4.8758 -4.8411 -4.8372 -4.8331 -4.8297 -4.7614 -4.7407 -2.6935 -2.6913 -0.8538 -0.7990 -0.7281 -0.6842 -0.5240 -0.4360 0.1532 0.1633 0.7187 0.7625 1.1988 1.2132 1.8013 1.8711 1.9863 2.0424 2.1998 2.2896 2.3905 2.4165 3.7205 3.8210 k = 0.3676 0.3676 0.5000 ( 9822 PWs) bands (ev): -7.5725 -7.5724 -7.5716 -7.5706 -6.4006 -6.4003 -6.2371 -6.2300 -5.2513 -5.2480 -5.2369 -5.2368 -5.1869 -5.1857 -5.1651 -5.1358 -4.9157 -4.9122 -4.8881 -4.8845 -4.8764 -4.8756 -4.8423 -4.8373 -4.8341 -4.8295 -4.7647 -4.7425 -2.6640 -2.6617 -0.8583 -0.7915 -0.7014 -0.6578 -0.5346 -0.4349 0.1060 0.1124 0.6920 0.7390 1.2274 1.2357 1.7724 1.8469 1.9685 2.0197 2.1788 2.2668 2.4252 2.4553 3.7163 3.8245 k = 0.3529 0.3529 0.5000 ( 9810 PWs) bands (ev): -7.5760 -7.5760 -7.5750 -7.5740 -6.3936 -6.3933 -6.2376 -6.2301 -5.2509 -5.2475 -5.2352 -5.2351 -5.1889 -5.1867 -5.1665 -5.1359 -4.9147 -4.9108 -4.8878 -4.8838 -4.8763 -4.8755 -4.8436 -4.8374 -4.8352 -4.8292 -4.7677 -4.7444 -2.6320 -2.6295 -0.8666 -0.7889 -0.6723 -0.6309 -0.5476 -0.4398 0.0726 0.0757 0.6631 0.7132 1.2521 1.2541 1.7400 1.8197 1.9482 1.9912 2.1559 2.2424 2.4668 2.4981 3.7088 3.8233 k = 0.3382 0.3382 0.5000 ( 9814 PWs) bands (ev): -7.5798 -7.5798 -7.5788 -7.5776 -6.3860 -6.3856 -6.2381 -6.2301 -5.2505 -5.2471 -5.2335 -5.2331 -5.1912 -5.1878 -5.1676 -5.1363 -4.9136 -4.9095 -4.8875 -4.8831 -4.8761 -4.8754 -4.8451 -4.8379 -4.8360 -4.8288 -4.7705 -4.7464 -2.5977 -2.5952 -0.8806 -0.7956 -0.6417 -0.6112 -0.5515 -0.4492 0.0535 0.0546 0.6324 0.6856 1.2692 1.2735 1.7050 1.7901 1.9258 1.9587 2.1316 2.2169 2.5124 2.5429 3.6976 3.8168 k = 0.3235 0.3235 0.5000 ( 9816 PWs) bands (ev): -7.5838 -7.5838 -7.5828 -7.5815 -6.3778 -6.3774 -6.2383 -6.2300 -5.2501 -5.2468 -5.2316 -5.2309 -5.1938 -5.1891 -5.1684 -5.1368 -4.9126 -4.9081 -4.8872 -4.8825 -4.8759 -4.8753 -4.8465 -4.8392 -4.8360 -4.8283 -4.7729 -4.7483 -2.5615 -2.5589 -0.9024 -0.8170 -0.6112 -0.6077 -0.5307 -0.4585 0.0476 0.0480 0.6001 0.6565 1.2816 1.2920 1.6680 1.7588 1.9017 1.9239 2.1065 2.1907 2.5593 2.5883 3.6824 3.8047 k = 0.3088 0.3088 0.5000 ( 9808 PWs) bands (ev): -7.5881 -7.5881 -7.5870 -7.5857 -6.3691 -6.3687 -6.2384 -6.2298 -5.2497 -5.2465 -5.2295 -5.2286 -5.1965 -5.1904 -5.1689 -5.1374 -4.9115 -4.9067 -4.8868 -4.8819 -4.8754 -4.8752 -4.8480 -4.8411 -4.8354 -4.8277 -4.7749 -4.7503 -2.5237 -2.5210 -0.9340 -0.8559 -0.6061 -0.5836 -0.4950 -0.4610 0.0523 0.0531 0.5668 0.6264 1.2919 1.3079 1.6297 1.7265 1.8764 1.8877 2.0810 2.1642 2.6059 2.6329 3.6630 3.7868 k = 0.2941 0.2941 0.5000 ( 9810 PWs) bands (ev): -7.5925 -7.5925 -7.5914 -7.5901 -6.3600 -6.3595 -6.2383 -6.2295 -5.2493 -5.2462 -5.2273 -5.2262 -5.1993 -5.1918 -5.1692 -5.1381 -4.9105 -4.9055 -4.8864 -4.8815 -4.8752 -4.8748 -4.8496 -4.8432 -4.8344 -4.8270 -4.7765 -4.7522 -2.4845 -2.4818 -0.9759 -0.9094 -0.5980 -0.5619 -0.4535 -0.4503 0.0649 0.0668 0.5331 0.5958 1.3004 1.3211 1.5909 1.6940 1.8505 1.8513 2.0556 2.1376 2.6509 2.6755 3.6395 3.7634 k = 0.2794 0.2794 0.5000 ( 9814 PWs) bands (ev): -7.5971 -7.5971 -7.5960 -7.5946 -6.3505 -6.3500 -6.2379 -6.2290 -5.2490 -5.2460 -5.2251 -5.2237 -5.2020 -5.1932 -5.1694 -5.1389 -4.9096 -4.9043 -4.8860 -4.8813 -4.8752 -4.8739 -4.8511 -4.8454 -4.8330 -4.8260 -4.7778 -4.7541 -2.4442 -2.4416 -1.0270 -0.9727 -0.5839 -0.5461 -0.4254 -0.4088 0.0829 0.0859 0.4995 0.5653 1.3071 1.3314 1.5522 1.6622 1.8153 1.8245 2.0306 2.1114 2.6932 2.7153 3.6120 3.7348 k = 0.2647 0.2647 0.5000 ( 9814 PWs) bands (ev): -7.6019 -7.6018 -7.6006 -7.5993 -6.3406 -6.3401 -6.2373 -6.2284 -5.2486 -5.2458 -5.2229 -5.2214 -5.2045 -5.1945 -5.1695 -5.1398 -4.9088 -4.9032 -4.8857 -4.8814 -4.8752 -4.8729 -4.8527 -4.8476 -4.8312 -4.8247 -4.7787 -4.7558 -2.4031 -2.4006 -1.0853 -1.0416 -0.5655 -0.5319 -0.3911 -0.3622 0.1041 0.1080 0.4669 0.5359 1.3120 1.3379 1.5146 1.6322 1.7808 1.7992 2.0064 2.0859 2.7321 2.7518 3.5809 3.7015 k = 0.2500 0.2500 0.5000 ( 9834 PWs) bands (ev): -7.6066 -7.6066 -7.6054 -7.6041 -6.3306 -6.3301 -6.2366 -6.2276 -5.2483 -5.2456 -5.2210 -5.2191 -5.2065 -5.1958 -5.1694 -5.1408 -4.9080 -4.9023 -4.8854 -4.8817 -4.8753 -4.8717 -4.8542 -4.8497 -4.8291 -4.8231 -4.7794 -4.7574 -2.3615 -2.3592 -1.1484 -1.1132 -0.5441 -0.5162 -0.3521 -0.3146 0.1263 0.1310 0.4362 0.5085 1.3141 1.3395 1.4790 1.6048 1.7492 1.7754 1.9834 2.0615 2.7672 2.7844 3.5465 3.6640 k = 0.2353 0.2353 0.5000 ( 9822 PWs) bands (ev): -7.6114 -7.6114 -7.6102 -7.6089 -6.3204 -6.3199 -6.2355 -6.2267 -5.2479 -5.2454 -5.2199 -5.2173 -5.2076 -5.1966 -5.1693 -5.1418 -4.9073 -4.9014 -4.8853 -4.8821 -4.8754 -4.8705 -4.8556 -4.8517 -4.8266 -4.8212 -4.7797 -4.7589 -2.3198 -2.3176 -1.2142 -1.1856 -0.5205 -0.4981 -0.3114 -0.2669 0.1478 0.1531 0.4088 0.4844 1.3121 1.3350 1.4469 1.5801 1.7223 1.7539 1.9621 2.0384 2.7983 2.8132 3.5091 3.6231 k = 0.2206 0.2206 0.5000 ( 9812 PWs) bands (ev): -7.6162 -7.6162 -7.6151 -7.6138 -6.3102 -6.3096 -6.2343 -6.2257 -5.2476 -5.2452 -5.2199 -5.2159 -5.2073 -5.1970 -5.1691 -5.1429 -4.9067 -4.9007 -4.8853 -4.8828 -4.8754 -4.8694 -4.8570 -4.8536 -4.8236 -4.8188 -4.7799 -4.7602 -2.2781 -2.2762 -1.2809 -1.2575 -0.4954 -0.4773 -0.2709 -0.2203 0.1667 0.1726 0.3863 0.4649 1.3041 1.3238 1.4202 1.5570 1.7030 1.7360 1.9429 2.0172 2.8253 2.8380 3.4693 3.5792 k = 0.2059 0.2059 0.5000 ( 9830 PWs) bands (ev): -7.6209 -7.6209 -7.6199 -7.6186 -6.3000 -6.2994 -6.2329 -6.2245 -5.2472 -5.2450 -5.2211 -5.2154 -5.2058 -5.1967 -5.1689 -5.1440 -4.9062 -4.9000 -4.8856 -4.8836 -4.8754 -4.8684 -4.8583 -4.8553 -4.8203 -4.8161 -4.7798 -4.7615 -2.2370 -2.2352 -1.3473 -1.3279 -0.4691 -0.4544 -0.2323 -0.1763 0.1817 0.1882 0.3705 0.4515 1.2887 1.3065 1.3998 1.5331 1.6936 1.7227 1.9263 1.9981 2.8482 2.8589 3.4274 3.5330 k = 0.1912 0.1912 0.5000 ( 9836 PWs) bands (ev): -7.6255 -7.6255 -7.6246 -7.6234 -6.2899 -6.2893 -6.2314 -6.2233 -5.2468 -5.2448 -5.2228 -5.2157 -5.2034 -5.1956 -5.1687 -5.1452 -4.9057 -4.8995 -4.8861 -4.8845 -4.8752 -4.8675 -4.8595 -4.8567 -4.8167 -4.8130 -4.7797 -4.7626 -2.1965 -2.1950 -1.4123 -1.3960 -0.4422 -0.4297 -0.1972 -0.1367 0.1923 0.1995 0.3628 0.4450 1.2671 1.2846 1.3842 1.5067 1.6947 1.7150 1.9125 1.9815 2.8673 2.8763 3.3839 3.4848 k = 0.1765 0.1765 0.5000 ( 9830 PWs) bands (ev): -7.6300 -7.6300 -7.6291 -7.6280 -6.2801 -6.2795 -6.2297 -6.2220 -5.2464 -5.2447 -5.2247 -5.2165 -5.2007 -5.1939 -5.1685 -5.1464 -4.9053 -4.8990 -4.8868 -4.8856 -4.8750 -4.8668 -4.8605 -4.8580 -4.8128 -4.8096 -4.7793 -4.7636 -2.1572 -2.1559 -1.4750 -1.4612 -0.4150 -0.4036 -0.1672 -0.1037 0.2004 0.2071 0.3627 0.4454 1.2421 1.2601 1.3707 1.4779 1.7048 1.7136 1.9021 1.9678 2.8830 2.8905 3.3391 3.4350 k = 0.1618 0.1618 0.5000 ( 9842 PWs) bands (ev): -7.6343 -7.6343 -7.6335 -7.6325 -6.2706 -6.2700 -6.2279 -6.2206 -5.2460 -5.2445 -5.2267 -5.2179 -5.1978 -5.1919 -5.1683 -5.1477 -4.9050 -4.8986 -4.8876 -4.8867 -4.8747 -4.8663 -4.8614 -4.8591 -4.8088 -4.8060 -4.7789 -4.7646 -2.1192 -2.1182 -1.5348 -1.5229 -0.3880 -0.3765 -0.1437 -0.0795 0.2091 0.2129 0.3682 0.4513 1.2163 1.2346 1.3569 1.4478 1.7184 1.7213 1.8956 1.9574 2.8956 2.9018 3.2934 3.3841 k = 0.1471 0.1471 0.5000 ( 9840 PWs) bands (ev): -7.6383 -7.6383 -7.6377 -7.6367 -6.2616 -6.2610 -6.2261 -6.2193 -5.2455 -5.2443 -5.2285 -5.2196 -5.1948 -5.1896 -5.1681 -5.1490 -4.9047 -4.8982 -4.8884 -4.8879 -4.8743 -4.8660 -4.8622 -4.8600 -4.8046 -4.8021 -4.7784 -4.7654 -2.0831 -2.0822 -1.5910 -1.5807 -0.3615 -0.3490 -0.1276 -0.0650 0.2190 0.2215 0.3770 0.4606 1.1915 1.2096 1.3421 1.4176 1.7288 1.7418 1.8931 1.9505 2.9054 2.9106 3.2472 3.3324 k = 0.1324 0.1324 0.5000 ( 9848 PWs) bands (ev): -7.6421 -7.6421 -7.6416 -7.6407 -6.2531 -6.2525 -6.2242 -6.2180 -5.2450 -5.2441 -5.2303 -5.2213 -5.1918 -5.1873 -5.1679 -5.1504 -4.9044 -4.8979 -4.8893 -4.8892 -4.8739 -4.8659 -4.8629 -4.8608 -4.8004 -4.7982 -4.7779 -4.7662 -2.0491 -2.0483 -1.6432 -1.6341 -0.3362 -0.3215 -0.1189 -0.0594 0.2269 0.2379 0.3870 0.4713 1.1685 1.1860 1.3265 1.3882 1.7437 1.7643 1.8952 1.9473 2.9130 2.9174 3.2011 3.2805 k = 0.1176 0.1176 0.5000 ( 9836 PWs) bands (ev): -7.6456 -7.6456 -7.6452 -7.6444 -6.2452 -6.2447 -6.2224 -6.2167 -5.2444 -5.2439 -5.2319 -5.2232 -5.1888 -5.1850 -5.1678 -5.1519 -4.9041 -4.8977 -4.8904 -4.8901 -4.8734 -4.8659 -4.8634 -4.8615 -4.7962 -4.7943 -4.7773 -4.7670 -2.0178 -2.0169 -1.6908 -1.6827 -0.3125 -0.2945 -0.1166 -0.0603 0.2368 0.2567 0.3975 0.4817 1.1481 1.1645 1.3108 1.3604 1.7619 1.7871 1.9017 1.9476 2.9187 2.9224 3.1557 3.2287 k = 0.1029 0.1029 0.5000 ( 9844 PWs) bands (ev): -7.6488 -7.6488 -7.6485 -7.6478 -6.2381 -6.2375 -6.2206 -6.2156 -5.2438 -5.2437 -5.2333 -5.2251 -5.1859 -5.1827 -5.1677 -5.1534 -4.9038 -4.8975 -4.8917 -4.8909 -4.8729 -4.8661 -4.8637 -4.8621 -4.7921 -4.7906 -4.7767 -4.7677 -1.9894 -1.9883 -1.7335 -1.7261 -0.2909 -0.2687 -0.1192 -0.0648 0.2481 0.2753 0.4079 0.4907 1.1304 1.1456 1.2957 1.3349 1.7822 1.8092 1.9122 1.9512 2.9229 2.9261 3.1118 3.1780 k = 0.0882 0.0882 0.5000 ( 9852 PWs) bands (ev): -7.6516 -7.6516 -7.6514 -7.6508 -6.2317 -6.2312 -6.2189 -6.2146 -5.2434 -5.2432 -5.2346 -5.2269 -5.1830 -5.1806 -5.1678 -5.1550 -4.9035 -4.8974 -4.8928 -4.8917 -4.8725 -4.8664 -4.8639 -4.8626 -4.7884 -4.7871 -4.7762 -4.7684 -1.9645 -1.9631 -1.7706 -1.7638 -0.2719 -0.2449 -0.1243 -0.0707 0.2601 0.2918 0.4182 0.4972 1.1156 1.1293 1.2820 1.3122 1.8034 1.8299 1.9256 1.9574 2.9258 2.9286 3.0705 3.1291 k = 0.0735 0.0735 0.5000 ( 9828 PWs) bands (ev): -7.6540 -7.6540 -7.6538 -7.6533 -6.2263 -6.2257 -6.2173 -6.2137 -5.2431 -5.2425 -5.2357 -5.2286 -5.1802 -5.1787 -5.1678 -5.1567 -4.9031 -4.8973 -4.8938 -4.8923 -4.8719 -4.8668 -4.8641 -4.8629 -4.7849 -4.7839 -4.7756 -4.7691 -1.9437 -1.9419 -1.8018 -1.7954 -0.2559 -0.2244 -0.1298 -0.0768 0.2719 0.3047 0.4285 0.5007 1.1036 1.1155 1.2701 1.2928 1.8247 1.8489 1.9404 1.9652 2.9274 2.9302 3.0331 3.0832 k = 0.0588 0.0588 0.5000 ( 9830 PWs) bands (ev): -7.6560 -7.6560 -7.6559 -7.6555 -6.2218 -6.2212 -6.2157 -6.2130 -5.2428 -5.2418 -5.2366 -5.2303 -5.1776 -5.1769 -5.1680 -5.1585 -4.9027 -4.8976 -4.8945 -4.8929 -4.8714 -4.8672 -4.8641 -4.8633 -4.7818 -4.7811 -4.7750 -4.7698 -1.9278 -1.9255 -1.8261 -1.8200 -0.2427 -0.2092 -0.1330 -0.0824 0.2830 0.3136 0.4388 0.5013 1.0942 1.1042 1.2605 1.2768 1.8451 1.8660 1.9550 1.9734 2.9276 2.9307 3.0015 3.0420 k = 0.0441 0.0441 0.5000 ( 9850 PWs) bands (ev): -7.6576 -7.6576 -7.6575 -7.6572 -6.2184 -6.2177 -6.2143 -6.2124 -5.2425 -5.2413 -5.2372 -5.2320 -5.1753 -5.1752 -5.1682 -5.1603 -4.9022 -4.8981 -4.8948 -4.8934 -4.8709 -4.8677 -4.8642 -4.8636 -4.7792 -4.7788 -4.7746 -4.7705 -1.9177 -1.9151 -1.8425 -1.8371 -0.2320 -0.2012 -0.1312 -0.0876 0.2931 0.3187 0.4492 0.4989 1.0874 1.0952 1.2532 1.2644 1.8636 1.8803 1.9678 1.9808 2.9259 2.9300 2.9777 3.0072 k = 0.0294 0.0294 0.5000 ( 9858 PWs) bands (ev): -7.6588 -7.6587 -7.6586 -7.6585 -6.2161 -6.2154 -6.2129 -6.2119 -5.2422 -5.2410 -5.2373 -5.2335 -5.1740 -5.1732 -5.1682 -5.1622 -4.9017 -4.8988 -4.8949 -4.8939 -4.8704 -4.8683 -4.8642 -4.8638 -4.7771 -4.7771 -4.7743 -4.7714 -1.9132 -1.9110 -1.8506 -1.8465 -0.2233 -0.2004 -0.1245 -0.0930 0.3019 0.3202 0.4595 0.4940 1.0830 1.0884 1.2485 1.2554 1.8791 1.8908 1.9781 1.9864 2.9221 2.9275 2.9636 2.9811 k = 0.0147 0.0147 0.5000 ( 9866 PWs) bands (ev): -7.6595 -7.6594 -7.6593 -7.6593 -6.2148 -6.2143 -6.2119 -6.2115 -5.2418 -5.2411 -5.2369 -5.2348 -5.1729 -5.1721 -5.1675 -5.1642 -4.9010 -4.8996 -4.8948 -4.8943 -4.8698 -4.8688 -4.8642 -4.8640 -4.7759 -4.7757 -4.7740 -4.7723 -1.9123 -1.9111 -1.8527 -1.8506 -0.2160 -0.2040 -0.1155 -0.0992 0.3093 0.3188 0.4695 0.4872 1.0809 1.0837 1.2463 1.2496 1.8903 1.8964 1.9851 1.9892 2.9186 2.9230 2.9580 2.9653 k = 0.0000 0.0000 0.5000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0000 0.5000-0.0000 ( 9890 PWs) bands (ev): -7.6597 -7.6597 -7.6595 -7.6595 -6.2142 -6.2142 -6.2114 -6.2114 -5.2414 -5.2414 -5.2360 -5.2360 -5.1722 -5.1722 -5.1661 -5.1661 -4.9004 -4.9004 -4.8946 -4.8946 -4.8693 -4.8693 -4.8641 -4.8641 -4.7753 -4.7753 -4.7732 -4.7732 -1.9121 -1.9121 -1.8522 -1.8522 -0.2095 -0.2095 -0.1068 -0.1068 0.3150 0.3150 0.4788 0.4788 1.0812 1.0812 1.2466 1.2466 1.8963 1.8963 1.9889 1.9889 2.9189 2.9189 2.9586 2.9586 k = 0.0000 0.5000 0.0208 ( 9862 PWs) bands (ev): -7.6593 -7.6593 -7.6591 -7.6591 -6.2148 -6.2148 -6.2119 -6.2119 -5.2415 -5.2415 -5.2357 -5.2357 -5.1727 -5.1727 -5.1657 -5.1657 -4.9003 -4.9003 -4.8945 -4.8945 -4.8693 -4.8693 -4.8641 -4.8641 -4.7760 -4.7760 -4.7730 -4.7730 -1.9114 -1.9114 -1.8514 -1.8514 -0.2093 -0.2093 -0.1067 -0.1067 0.3125 0.3125 0.4769 0.4769 1.0846 1.0846 1.2503 1.2503 1.8910 1.8910 1.9860 1.9860 2.9211 2.9211 2.9621 2.9621 k = 0.0000 0.5000 0.0417 ( 9860 PWs) bands (ev): -7.6582 -7.6582 -7.6580 -7.6580 -6.2165 -6.2165 -6.2135 -6.2135 -5.2418 -5.2418 -5.2352 -5.2352 -5.1741 -5.1741 -5.1649 -5.1649 -4.9002 -4.9002 -4.8944 -4.8944 -4.8693 -4.8693 -4.8640 -4.8640 -4.7776 -4.7776 -4.7729 -4.7729 -1.9094 -1.9094 -1.8493 -1.8493 -0.2088 -0.2088 -0.1064 -0.1064 0.3050 0.3050 0.4713 0.4713 1.0949 1.0949 1.2613 1.2613 1.8755 1.8755 1.9771 1.9771 2.9278 2.9278 2.9725 2.9725 k = 0.0000 0.5000 0.0625 ( 9854 PWs) bands (ev): -7.6564 -7.6564 -7.6561 -7.6561 -6.2194 -6.2194 -6.2162 -6.2162 -5.2422 -5.2422 -5.2343 -5.2343 -5.1760 -5.1760 -5.1640 -5.1640 -4.9001 -4.9001 -4.8942 -4.8942 -4.8693 -4.8693 -4.8639 -4.8639 -4.7798 -4.7798 -4.7732 -4.7732 -1.9060 -1.9060 -1.8457 -1.8457 -0.2078 -0.2078 -0.1060 -0.1060 0.2930 0.2930 0.4621 0.4621 1.1118 1.1118 1.2793 1.2793 1.8511 1.8511 1.9622 1.9622 2.9387 2.9387 2.9888 2.9888 k = 0.0000 0.5000 0.0833 ( 9842 PWs) bands (ev): -7.6539 -7.6539 -7.6536 -7.6536 -6.2234 -6.2234 -6.2198 -6.2198 -5.2426 -5.2426 -5.2332 -5.2332 -5.1781 -5.1781 -5.1632 -5.1632 -4.8999 -4.8999 -4.8940 -4.8940 -4.8693 -4.8693 -4.8637 -4.8637 -4.7824 -4.7824 -4.7740 -4.7740 -1.9013 -1.9013 -1.8408 -1.8408 -0.2065 -0.2065 -0.1056 -0.1056 0.2771 0.2771 0.4495 0.4495 1.1353 1.1353 1.3035 1.3035 1.8195 1.8195 1.9412 1.9412 2.9537 2.9537 3.0101 3.0101 k = 0.0000 0.5000 0.1042 ( 9836 PWs) bands (ev): -7.6507 -7.6507 -7.6503 -7.6503 -6.2284 -6.2284 -6.2245 -6.2245 -5.2429 -5.2429 -5.2320 -5.2320 -5.1804 -5.1804 -5.1626 -5.1626 -4.8997 -4.8997 -4.8936 -4.8936 -4.8693 -4.8693 -4.8635 -4.8635 -4.7854 -4.7854 -4.7752 -4.7752 -1.8953 -1.8953 -1.8346 -1.8346 -0.2048 -0.2048 -0.1053 -0.1053 0.2579 0.2579 0.4340 0.4340 1.1648 1.1648 1.3333 1.3333 1.7821 1.7821 1.9148 1.9148 2.9722 2.9722 3.0355 3.0355 k = 0.0000 0.5000 0.1250 ( 9828 PWs) bands (ev): -7.6469 -7.6469 -7.6465 -7.6465 -6.2343 -6.2343 -6.2301 -6.2301 -5.2432 -5.2432 -5.2307 -5.2307 -5.1829 -5.1829 -5.1623 -5.1623 -4.8994 -4.8994 -4.8932 -4.8932 -4.8692 -4.8692 -4.8632 -4.8632 -4.7888 -4.7888 -4.7768 -4.7768 -1.8881 -1.8881 -1.8272 -1.8272 -0.2027 -0.2027 -0.1051 -0.1051 0.2363 0.2363 0.4160 0.4160 1.2001 1.2001 1.3677 1.3677 1.7403 1.7403 1.8837 1.8837 2.9936 2.9936 3.0640 3.0640 k = 0.0000 0.5000 0.1458 ( 9838 PWs) bands (ev): -7.6425 -7.6425 -7.6420 -7.6420 -6.2410 -6.2410 -6.2366 -6.2366 -5.2434 -5.2434 -5.2292 -5.2292 -5.1855 -5.1855 -5.1622 -5.1622 -4.8991 -4.8991 -4.8928 -4.8928 -4.8692 -4.8692 -4.8629 -4.8629 -4.7924 -4.7924 -4.7789 -4.7789 -1.8796 -1.8796 -1.8187 -1.8187 -0.2003 -0.2003 -0.1053 -0.1053 0.2129 0.2129 0.3963 0.3963 1.2405 1.2405 1.4057 1.4057 1.6954 1.6954 1.8493 1.8493 3.0173 3.0173 3.0948 3.0948 k = 0.0000 0.5000 0.1667 ( 9838 PWs) bands (ev): -7.6376 -7.6376 -7.6371 -7.6371 -6.2485 -6.2485 -6.2439 -6.2439 -5.2434 -5.2434 -5.2277 -5.2277 -5.1881 -5.1881 -5.1623 -5.1623 -4.8987 -4.8987 -4.8923 -4.8923 -4.8691 -4.8691 -4.8625 -4.8625 -4.7963 -4.7963 -4.7814 -4.7814 -1.8701 -1.8701 -1.8092 -1.8092 -0.1978 -0.1978 -0.1062 -0.1062 0.1886 0.1886 0.3756 0.3756 1.2852 1.2852 1.4458 1.4458 1.6485 1.6485 1.8131 1.8131 3.0427 3.0427 3.1271 3.1271 k = 0.0000 0.5000 0.1875 ( 9840 PWs) bands (ev): -7.6323 -7.6323 -7.6316 -7.6316 -6.2566 -6.2566 -6.2519 -6.2519 -5.2434 -5.2434 -5.2260 -5.2260 -5.1908 -5.1908 -5.1627 -5.1627 -4.8982 -4.8982 -4.8918 -4.8918 -4.8691 -4.8691 -4.8621 -4.8621 -4.8003 -4.8003 -4.7842 -4.7842 -1.8594 -1.8594 -1.7989 -1.7989 -0.1956 -0.1956 -0.1078 -0.1078 0.1642 0.1642 0.3545 0.3545 1.3333 1.3333 1.4855 1.4855 1.6011 1.6011 1.7779 1.7779 3.0693 3.0693 3.1604 3.1604 k = 0.0000 0.5000 0.2083 ( 9838 PWs) bands (ev): -7.6265 -7.6265 -7.6259 -7.6259 -6.2653 -6.2653 -6.2604 -6.2604 -5.2433 -5.2433 -5.2243 -5.2243 -5.1936 -5.1936 -5.1634 -5.1634 -4.8977 -4.8977 -4.8912 -4.8912 -4.8690 -4.8690 -4.8617 -4.8617 -4.8044 -4.8044 -4.7873 -4.7873 -1.8478 -1.8478 -1.7880 -1.7880 -0.1939 -0.1939 -0.1106 -0.1106 0.1408 0.1408 0.3339 0.3339 1.3828 1.3828 1.5192 1.5192 1.5559 1.5559 1.7486 1.7486 3.0969 3.0969 3.1940 3.1940 k = 0.0000 0.5000 0.2292 ( 9840 PWs) bands (ev): -7.6205 -7.6205 -7.6198 -7.6198 -6.2742 -6.2742 -6.2694 -6.2694 -5.2430 -5.2430 -5.2225 -5.2225 -5.1963 -5.1963 -5.1643 -5.1643 -4.8971 -4.8971 -4.8906 -4.8906 -4.8688 -4.8688 -4.8611 -4.8611 -4.8086 -4.8086 -4.7906 -4.7906 -1.8354 -1.8354 -1.7766 -1.7766 -0.1933 -0.1933 -0.1149 -0.1149 0.1192 0.1192 0.3145 0.3145 1.4263 1.4263 1.5129 1.5129 1.5449 1.5449 1.7346 1.7346 3.1251 3.1251 3.2275 3.2275 k = 0.0000 0.5000 0.2500 ( 9844 PWs) bands (ev): -7.6143 -7.6143 -7.6136 -7.6136 -6.2834 -6.2834 -6.2786 -6.2786 -5.2427 -5.2427 -5.2206 -5.2206 -5.1990 -5.1990 -5.1654 -5.1654 -4.8964 -4.8964 -4.8900 -4.8900 -4.8687 -4.8687 -4.8605 -4.8605 -4.8127 -4.8127 -4.7942 -4.7942 -1.8222 -1.8222 -1.7649 -1.7649 -0.1945 -0.1945 -0.1209 -0.1209 0.1007 0.1007 0.2969 0.2969 1.4289 1.4289 1.5096 1.5096 1.5504 1.5504 1.7455 1.7455 3.1536 3.1536 3.2606 3.2606 k = 0.0000 0.5000 0.2708 ( 9844 PWs) bands (ev): -7.6080 -7.6080 -7.6073 -7.6073 -6.2927 -6.2927 -6.2880 -6.2880 -5.2422 -5.2422 -5.2187 -5.2187 -5.2017 -5.2017 -5.1668 -5.1668 -4.8957 -4.8957 -4.8893 -4.8893 -4.8685 -4.8685 -4.8599 -4.8599 -4.8168 -4.8168 -4.7978 -4.7978 -1.8086 -1.8086 -1.7531 -1.7531 -0.1979 -0.1979 -0.1291 -0.1291 0.0865 0.0865 0.2815 0.2815 1.3925 1.3925 1.5001 1.5001 1.5832 1.5832 1.7774 1.7774 3.1822 3.1822 3.2927 3.2927 k = 0.0000 0.5000 0.2917 ( 9844 PWs) bands (ev): -7.6017 -7.6017 -7.6010 -7.6010 -6.3019 -6.3019 -6.2974 -6.2974 -5.2416 -5.2416 -5.2168 -5.2168 -5.2043 -5.2043 -5.1684 -5.1684 -4.8949 -4.8949 -4.8887 -4.8887 -4.8682 -4.8682 -4.8591 -4.8591 -4.8208 -4.8208 -4.8016 -4.8016 -1.7945 -1.7945 -1.7414 -1.7414 -0.2038 -0.2038 -0.1397 -0.1397 0.0774 0.0774 0.2684 0.2684 1.3507 1.3507 1.4671 1.4671 1.6372 1.6372 1.8195 1.8195 3.2110 3.2110 3.3235 3.3235 k = 0.0000 0.5000 0.3125 ( 9828 PWs) bands (ev): -7.5955 -7.5955 -7.5949 -7.5949 -6.3108 -6.3108 -6.3065 -6.3065 -5.2408 -5.2408 -5.2149 -5.2149 -5.2067 -5.2067 -5.1702 -5.1702 -4.8941 -4.8941 -4.8881 -4.8881 -4.8678 -4.8678 -4.8583 -4.8583 -4.8245 -4.8245 -4.8054 -4.8054 -1.7804 -1.7804 -1.7302 -1.7302 -0.2120 -0.2120 -0.1527 -0.1527 0.0739 0.0739 0.2576 0.2576 1.3101 1.3101 1.4279 1.4279 1.6950 1.6950 1.8649 1.8649 3.2396 3.2396 3.3526 3.3526 k = 0.0000 0.5000 0.3333 ( 9828 PWs) bands (ev): -7.5896 -7.5896 -7.5890 -7.5890 -6.3193 -6.3193 -6.3153 -6.3153 -5.2399 -5.2399 -5.2135 -5.2135 -5.2085 -5.2085 -5.1722 -5.1722 -4.8933 -4.8933 -4.8876 -4.8876 -4.8674 -4.8674 -4.8575 -4.8575 -4.8281 -4.8281 -4.8092 -4.8092 -1.7663 -1.7663 -1.7196 -1.7196 -0.2219 -0.2219 -0.1678 -0.1678 0.0758 0.0758 0.2487 0.2487 1.2723 1.2723 1.3871 1.3871 1.7528 1.7528 1.9100 1.9100 3.2680 3.2680 3.3795 3.3795 k = 0.0000 0.5000 0.3542 ( 9830 PWs) bands (ev): -7.5840 -7.5840 -7.5835 -7.5835 -6.3273 -6.3273 -6.3236 -6.3236 -5.2389 -5.2389 -5.2139 -5.2139 -5.2084 -5.2084 -5.1743 -5.1743 -4.8924 -4.8924 -4.8871 -4.8871 -4.8668 -4.8668 -4.8567 -4.8567 -4.8313 -4.8313 -4.8130 -4.8130 -1.7525 -1.7525 -1.7099 -1.7099 -0.2328 -0.2328 -0.1841 -0.1841 0.0822 0.0822 0.2412 0.2412 1.2383 1.2383 1.3469 1.3469 1.8092 1.8092 1.9526 1.9526 3.2961 3.2961 3.4037 3.4037 k = 0.0000 0.5000 0.3750 ( 9826 PWs) bands (ev): -7.5789 -7.5789 -7.5784 -7.5784 -6.3345 -6.3345 -6.3312 -6.3312 -5.2378 -5.2378 -5.2158 -5.2158 -5.2066 -5.2066 -5.1766 -5.1766 -4.8915 -4.8915 -4.8867 -4.8867 -4.8661 -4.8661 -4.8559 -4.8559 -4.8341 -4.8341 -4.8167 -4.8167 -1.7393 -1.7393 -1.7014 -1.7014 -0.2437 -0.2437 -0.2009 -0.2009 0.0922 0.0922 0.2346 0.2346 1.2089 1.2089 1.3084 1.3084 1.8628 1.8628 1.9910 1.9910 3.3236 3.3236 3.4246 3.4246 k = 0.0000 0.5000 0.3958 ( 9810 PWs) bands (ev): -7.5744 -7.5744 -7.5739 -7.5739 -6.3408 -6.3408 -6.3380 -6.3380 -5.2365 -5.2365 -5.2180 -5.2180 -5.2044 -5.2044 -5.1790 -5.1790 -4.8907 -4.8907 -4.8865 -4.8865 -4.8652 -4.8652 -4.8554 -4.8554 -4.8363 -4.8363 -4.8203 -4.8203 -1.7270 -1.7270 -1.6943 -1.6943 -0.2539 -0.2539 -0.2174 -0.2174 0.1049 0.1049 0.2280 0.2280 1.1847 1.1847 1.2725 1.2725 1.9127 1.9127 2.0237 2.0237 3.3503 3.3503 3.4416 3.4416 k = 0.0000 0.5000 0.4167 ( 9812 PWs) bands (ev): -7.5705 -7.5705 -7.5701 -7.5701 -6.3461 -6.3461 -6.3438 -6.3438 -5.2352 -5.2352 -5.2202 -5.2202 -5.2020 -5.2020 -5.1814 -5.1814 -4.8899 -4.8899 -4.8864 -4.8864 -4.8642 -4.8642 -4.8552 -4.8552 -4.8378 -4.8378 -4.8237 -4.8237 -1.7157 -1.7157 -1.6889 -1.6889 -0.2624 -0.2624 -0.2326 -0.2326 0.1192 0.1192 0.2209 0.2209 1.1662 1.1662 1.2399 1.2399 1.9577 1.9577 2.0496 2.0496 3.3757 3.3757 3.4541 3.4541 k = 0.0000 0.5000 0.4375 ( 9812 PWs) bands (ev): -7.5674 -7.5674 -7.5671 -7.5671 -6.3503 -6.3503 -6.3486 -6.3486 -5.2337 -5.2337 -5.2224 -5.2224 -5.1995 -5.1995 -5.1840 -5.1840 -4.8891 -4.8891 -4.8864 -4.8864 -4.8631 -4.8631 -4.8555 -4.8555 -4.8384 -4.8384 -4.8269 -4.8269 -1.7058 -1.7058 -1.6852 -1.6852 -0.2688 -0.2688 -0.2461 -0.2461 0.1345 0.1345 0.2127 0.2127 1.1539 1.1539 1.2113 1.2113 1.9969 1.9969 2.0678 2.0678 3.3993 3.3993 3.4616 3.4616 k = 0.0000 0.5000 0.4583 ( 9804 PWs) bands (ev): -7.5651 -7.5651 -7.5649 -7.5649 -6.3532 -6.3532 -6.3521 -6.3521 -5.2321 -5.2321 -5.2245 -5.2245 -5.1970 -5.1970 -5.1865 -5.1865 -4.8884 -4.8884 -4.8865 -4.8865 -4.8618 -4.8618 -4.8563 -4.8563 -4.8380 -4.8380 -4.8299 -4.8299 -1.6975 -1.6975 -1.6836 -1.6836 -0.2726 -0.2726 -0.2572 -0.2572 0.1500 0.1500 0.2031 0.2031 1.1480 1.1480 1.1874 1.1874 2.0293 2.0293 2.0776 2.0776 3.4204 3.4204 3.4637 3.4637 k = 0.0000 0.5000 0.4792 ( 9796 PWs) bands (ev): -7.5637 -7.5637 -7.5636 -7.5636 -6.3549 -6.3549 -6.3544 -6.3544 -5.2303 -5.2303 -5.2266 -5.2266 -5.1944 -5.1944 -5.1891 -5.1891 -4.8877 -4.8877 -4.8868 -4.8868 -4.8604 -4.8604 -4.8575 -4.8575 -4.8368 -4.8368 -4.8326 -4.8326 -1.6911 -1.6911 -1.6840 -1.6840 -0.2733 -0.2733 -0.2656 -0.2656 0.1650 0.1650 0.1919 0.1919 1.1485 1.1485 1.1686 1.1686 2.0541 2.0541 2.0786 2.0786 3.4381 3.4381 3.4603 3.4603 k = 0.0000 0.5000 0.5000 ( 9844 PWs) bands (ev): -7.5632 -7.5632 -7.5632 -7.5632 -6.3553 -6.3553 -6.3553 -6.3553 -5.2285 -5.2285 -5.2285 -5.2285 -5.1918 -5.1918 -5.1918 -5.1918 -4.8872 -4.8872 -4.8872 -4.8872 -4.8590 -4.8590 -4.8590 -4.8590 -4.8350 -4.8350 -4.8350 -4.8350 -1.6865 -1.6865 -1.6865 -1.6865 -0.2710 -0.2710 -0.2710 -0.2710 0.1791 0.1791 0.1791 0.1791 1.1555 1.1555 1.1555 1.1555 2.0707 2.0707 2.0707 2.0707 3.4516 3.4516 3.4516 3.4516 k = 0.5000 0.5000-0.0000 ( 9844 PWs) bands (ev): -7.6357 -7.6357 -7.6344 -7.6344 -6.2402 -6.2402 -6.2311 -6.2311 -5.2370 -5.2370 -5.2269 -5.2269 -5.1926 -5.1926 -5.1602 -5.1602 -4.8994 -4.8994 -4.8861 -4.8861 -4.8594 -4.8594 -4.8573 -4.8573 -4.8106 -4.8106 -4.7907 -4.7907 -1.8371 -1.8371 -1.8326 -1.8326 -0.4089 -0.4089 -0.3401 -0.3401 0.4424 0.4424 0.6043 0.6043 0.7811 0.7811 0.8010 0.8010 1.9816 1.9816 2.0505 2.0505 3.5760 3.5760 3.5994 3.5994 k = 0.5000 0.5000 0.0208 ( 9800 PWs) bands (ev): -7.6355 -7.6352 -7.6344 -7.6339 -6.2466 -6.2382 -6.2345 -6.2248 -5.2383 -5.2356 -5.2273 -5.2265 -5.1936 -5.1914 -5.1635 -5.1567 -4.9004 -4.8983 -4.8868 -4.8854 -4.8606 -4.8586 -4.8580 -4.8561 -4.8139 -4.8071 -4.7951 -4.7859 -1.9171 -1.9142 -1.7545 -1.7481 -0.4355 -0.3860 -0.3741 -0.3094 0.3937 0.4809 0.5536 0.6561 0.7399 0.7534 0.8250 0.8674 1.9678 1.9962 2.0392 2.0628 3.5002 3.5272 3.6499 3.6652 k = 0.5000 0.5000 0.0417 ( 9800 PWs) bands (ev): -7.6347 -7.6341 -7.6336 -7.6328 -6.2538 -6.2461 -6.2295 -6.2192 -5.2397 -5.2344 -5.2279 -5.2264 -5.1945 -5.1902 -5.1667 -5.1532 -4.9016 -4.8973 -4.8877 -4.8848 -4.8618 -4.8601 -4.8565 -4.8550 -4.8170 -4.8035 -4.7993 -4.7809 -1.9943 -1.9927 -1.6696 -1.6609 -0.4640 -0.4098 -0.3682 -0.2840 0.3416 0.4992 0.5048 0.6715 0.7235 0.7524 0.8775 0.9365 1.9550 2.0118 2.0289 2.0760 3.4226 3.4506 3.7207 3.7218 k = 0.5000 0.5000 0.0625 ( 9808 PWs) bands (ev): -7.6333 -7.6325 -7.6323 -7.6310 -6.2616 -6.2546 -6.2253 -6.2145 -5.2411 -5.2333 -5.2287 -5.2266 -5.1952 -5.1890 -5.1697 -5.1498 -4.9028 -4.8964 -4.8887 -4.8844 -4.8629 -4.8617 -4.8550 -4.8540 -4.8201 -4.8031 -4.7999 -4.7758 -2.0684 -2.0679 -1.5827 -1.5712 -0.4932 -0.4458 -0.3572 -0.2663 0.2897 0.4568 0.4958 0.6272 0.7776 0.7813 0.9348 1.0073 1.9432 2.0195 2.0283 2.0901 3.3433 3.3709 3.7611 3.7912 k = 0.5000 0.5000 0.0833 ( 9816 PWs) bands (ev): -7.6313 -7.6304 -7.6302 -7.6287 -6.2701 -6.2638 -6.2218 -6.2106 -5.2424 -5.2324 -5.2295 -5.2269 -5.1957 -5.1878 -5.1724 -5.1465 -4.9040 -4.8956 -4.8898 -4.8840 -4.8640 -4.8634 -4.8534 -4.8531 -4.8229 -4.8065 -4.7962 -4.7707 -2.1398 -2.1394 -1.4943 -1.4794 -0.5216 -0.4811 -0.3543 -0.2586 0.2391 0.4070 0.4822 0.5913 0.8304 0.8371 0.9948 1.0791 1.9322 2.0110 2.0455 2.1052 3.2626 3.2887 3.7841 3.8568 k = 0.5000 0.5000 0.1042 ( 9816 PWs) bands (ev): -7.6287 -7.6279 -7.6275 -7.6259 -6.2792 -6.2735 -6.2191 -6.2074 -5.2437 -5.2316 -5.2304 -5.2275 -5.1958 -5.1865 -5.1749 -5.1434 -4.9053 -4.8949 -4.8911 -4.8837 -4.8651 -4.8650 -4.8522 -4.8516 -4.8254 -4.8095 -4.7926 -4.7656 -2.2081 -2.2070 -1.4050 -1.3858 -0.5479 -0.5147 -0.3600 -0.2622 0.1898 0.3540 0.4703 0.5692 0.8898 0.8980 1.0563 1.1515 1.9221 2.0033 2.0634 2.1210 3.1804 3.2046 3.7943 3.9158 k = 0.5000 0.5000 0.1250 ( 9796 PWs) bands (ev): -7.6256 -7.6249 -7.6242 -7.6225 -6.2888 -6.2837 -6.2171 -6.2051 -5.2449 -5.2315 -5.2312 -5.2284 -5.1956 -5.1853 -5.1769 -5.1404 -4.9065 -4.8942 -4.8926 -4.8835 -4.8667 -4.8659 -4.8514 -4.8499 -4.8277 -4.8122 -4.7889 -4.7607 -2.2729 -2.2711 -1.3159 -1.2910 -0.5707 -0.5457 -0.3742 -0.2774 0.1406 0.2977 0.4666 0.5611 0.9540 0.9594 1.1183 1.2242 1.9128 1.9963 2.0819 2.1375 3.0973 3.1189 3.7979 3.9395 k = 0.5000 0.5000 0.1458 ( 9812 PWs) bands (ev): -7.6220 -7.6214 -7.6204 -7.6188 -6.2989 -6.2944 -6.2158 -6.2036 -5.2460 -5.2326 -5.2310 -5.2294 -5.1951 -5.1841 -5.1787 -5.1378 -4.9078 -4.8942 -4.8936 -4.8833 -4.8683 -4.8669 -4.8506 -4.8480 -4.8298 -4.8145 -4.7854 -4.7559 -2.3340 -2.3317 -1.2283 -1.1958 -0.5883 -0.5730 -0.3961 -0.3026 0.0908 0.2394 0.4730 0.5648 1.0203 1.0207 1.1803 1.2966 1.9042 1.9899 2.1006 2.1545 3.0135 3.0323 3.7984 3.9655 k = 0.5000 0.5000 0.1667 ( 9780 PWs) bands (ev): -7.6179 -7.6174 -7.6163 -7.6146 -6.3093 -6.3054 -6.2150 -6.2027 -5.2471 -5.2337 -5.2311 -5.2306 -5.1942 -5.1828 -5.1801 -5.1353 -4.9091 -4.8960 -4.8930 -4.8833 -4.8698 -4.8677 -4.8498 -4.8461 -4.8315 -4.8165 -4.7819 -4.7514 -2.3914 -2.3886 -1.1446 -1.1019 -0.5982 -0.5952 -0.4241 -0.3353 0.0400 0.1803 0.4886 0.5776 1.0813 1.0870 1.2416 1.3683 1.8966 1.9838 2.1194 2.1719 2.9297 2.9453 3.7973 3.9935 k = 0.5000 0.5000 0.1875 ( 9804 PWs) bands (ev): -7.6135 -7.6131 -7.6118 -7.6101 -6.3200 -6.3166 -6.2149 -6.2026 -5.2481 -5.2351 -5.2320 -5.2315 -5.1931 -5.1816 -5.1812 -5.1333 -4.9103 -4.8980 -4.8925 -4.8834 -4.8711 -4.8686 -4.8491 -4.8443 -4.8331 -4.8183 -4.7785 -4.7472 -2.4449 -2.4419 -1.0682 -1.0120 -0.6097 -0.5967 -0.4568 -0.3725 -0.0115 0.1216 0.5114 0.5970 1.1403 1.1530 1.3017 1.4388 1.8899 1.9780 2.1380 2.1895 2.8466 2.8586 3.7951 3.9977 k = 0.5000 0.5000 0.2083 ( 9792 PWs) bands (ev): -7.6087 -7.6084 -7.6070 -7.6053 -6.3308 -6.3279 -6.2152 -6.2030 -5.2490 -5.2365 -5.2333 -5.2321 -5.1916 -5.1820 -5.1803 -5.1315 -4.9115 -4.9000 -4.8921 -4.8835 -4.8721 -4.8695 -4.8482 -4.8425 -4.8343 -4.8199 -4.7752 -4.7433 -2.4947 -2.4915 -1.0040 -0.9319 -0.6116 -0.5792 -0.4925 -0.4112 -0.0634 0.0640 0.5390 0.6207 1.1969 1.2170 1.3600 1.5073 1.8846 1.9723 2.1561 2.2072 2.7652 2.7731 3.7919 3.9928 k = 0.5000 0.5000 0.2292 ( 9792 PWs) bands (ev): -7.6038 -7.6035 -7.6021 -7.6004 -6.3417 -6.3393 -6.2160 -6.2041 -5.2499 -5.2380 -5.2345 -5.2329 -5.1900 -5.1825 -5.1790 -5.1301 -4.9127 -4.9021 -4.8916 -4.8837 -4.8731 -4.8704 -4.8474 -4.8407 -4.8352 -4.8212 -4.7721 -4.7400 -2.5406 -2.5372 -0.9563 -0.8707 -0.5949 -0.5419 -0.5298 -0.4464 -0.1149 0.0084 0.5694 0.6467 1.2495 1.2773 1.4162 1.5729 1.8815 1.9666 2.1732 2.2246 2.6868 2.6901 3.7877 3.9841 k = 0.5000 0.5000 0.2500 ( 9780 PWs) bands (ev): -7.5986 -7.5984 -7.5970 -7.5953 -6.3525 -6.3505 -6.2172 -6.2056 -5.2506 -5.2396 -5.2357 -5.2338 -5.1884 -5.1828 -5.1774 -5.1291 -4.9138 -4.9043 -4.8913 -4.8840 -4.8738 -4.8712 -4.8464 -4.8391 -4.8358 -4.8224 -4.7691 -4.7370 -2.5827 -2.5793 -0.9255 -0.8356 -0.5685 -0.5678 -0.4848 -0.4611 -0.1654 -0.0440 0.6010 0.6737 1.2962 1.3315 1.4701 1.6339 1.8825 1.9612 2.1886 2.2415 2.6111 2.6132 3.7824 3.9723 k = 0.5000 0.5000 0.2708 ( 9808 PWs) bands (ev): -7.5934 -7.5932 -7.5919 -7.5903 -6.3631 -6.3615 -6.2187 -6.2075 -5.2513 -5.2413 -5.2368 -5.2348 -5.1869 -5.1830 -5.1757 -5.1285 -4.9149 -4.9064 -4.8909 -4.8843 -4.8744 -4.8720 -4.8455 -4.8380 -4.8360 -4.8236 -4.7662 -4.7346 -2.6210 -2.6177 -0.9077 -0.8218 -0.6052 -0.5740 -0.4180 -0.4143 -0.2141 -0.0907 0.6326 0.7005 1.3344 1.3764 1.5217 1.6878 1.8905 1.9567 2.2013 2.2574 2.5384 2.5462 3.7761 3.9574 k = 0.5000 0.5000 0.2917 ( 9808 PWs) bands (ev): -7.5882 -7.5880 -7.5868 -7.5853 -6.3734 -6.3721 -6.2203 -6.2097 -5.2519 -5.2429 -5.2378 -5.2359 -5.1855 -5.1830 -5.1737 -5.1283 -4.9159 -4.9084 -4.8906 -4.8847 -4.8749 -4.8727 -4.8445 -4.8376 -4.8352 -4.8246 -4.7634 -4.7327 -2.6556 -2.6523 -0.8979 -0.8192 -0.6414 -0.6033 -0.3429 -0.3375 -0.2576 -0.1243 0.6631 0.7263 1.3604 1.4075 1.5716 1.7319 1.9091 1.9542 2.2099 2.2718 2.4750 2.4881 3.7688 3.9399 k = 0.5000 0.5000 0.3125 ( 9808 PWs) bands (ev): -7.5831 -7.5830 -7.5818 -7.5804 -6.3832 -6.3822 -6.2221 -6.2122 -5.2524 -5.2445 -5.2387 -5.2369 -5.1843 -5.1830 -5.1714 -5.1284 -4.9168 -4.9103 -4.8904 -4.8850 -4.8753 -4.8734 -4.8435 -4.8375 -4.8341 -4.8255 -4.7606 -4.7313 -2.6865 -2.6834 -0.8921 -0.8213 -0.6755 -0.6363 -0.3155 -0.2989 -0.2261 -0.1204 0.6920 0.7503 1.3704 1.4204 1.6198 1.7659 1.9395 1.9556 2.2123 2.2839 2.4246 2.4412 3.7606 3.9200 k = 0.5000 0.5000 0.3333 ( 9812 PWs) bands (ev): -7.5782 -7.5781 -7.5770 -7.5758 -6.3925 -6.3917 -6.2239 -6.2148 -5.2528 -5.2460 -5.2396 -5.2380 -5.1833 -5.1828 -5.1688 -5.1290 -4.9176 -4.9121 -4.8901 -4.8854 -4.8756 -4.8741 -4.8424 -4.8375 -4.8331 -4.8264 -4.7580 -4.7304 -2.7137 -2.7108 -0.8877 -0.8251 -0.7072 -0.6679 -0.3545 -0.3051 -0.1244 -0.0587 0.7188 0.7722 1.3616 1.4120 1.6661 1.7937 1.9620 1.9778 2.2071 2.2921 2.3907 2.4077 3.7519 3.8981 k = 0.5000 0.5000 0.3542 ( 9820 PWs) bands (ev): -7.5737 -7.5735 -7.5726 -7.5714 -6.4010 -6.4004 -6.2256 -6.2174 -5.2532 -5.2474 -5.2403 -5.2390 -5.1827 -5.1826 -5.1660 -5.1299 -4.9183 -4.9137 -4.8899 -4.8858 -4.8759 -4.8746 -4.8412 -4.8373 -4.8322 -4.8273 -4.7554 -4.7300 -2.7375 -2.7348 -0.8834 -0.8294 -0.7358 -0.6965 -0.3931 -0.3349 -0.0165 0.0326 0.7430 0.7916 1.3330 1.3822 1.7096 1.8191 1.9737 2.0164 2.1968 2.2953 2.3731 2.3887 3.7431 3.8747 k = 0.5000 0.5000 0.3750 ( 9836 PWs) bands (ev): -7.5695 -7.5694 -7.5685 -7.5675 -6.4087 -6.4083 -6.2273 -6.2201 -5.2534 -5.2487 -5.2410 -5.2399 -5.1824 -5.1821 -5.1630 -5.1311 -4.9190 -4.9152 -4.8896 -4.8862 -4.8761 -4.8751 -4.8401 -4.8370 -4.8316 -4.8281 -4.7529 -4.7301 -2.7578 -2.7554 -0.8786 -0.8340 -0.7608 -0.7213 -0.4282 -0.3696 0.0935 0.1340 0.7644 0.8082 1.2864 1.3332 1.7495 1.8437 1.9888 2.0473 2.1904 2.2943 2.3672 2.3822 3.7346 3.8504 k = 0.5000 0.5000 0.3958 ( 9828 PWs) bands (ev): -7.5658 -7.5657 -7.5648 -7.5641 -6.4154 -6.4151 -6.2287 -6.2225 -5.2536 -5.2498 -5.2416 -5.2407 -5.1822 -5.1817 -5.1599 -5.1327 -4.9195 -4.9164 -4.8894 -4.8866 -4.8762 -4.8755 -4.8390 -4.8367 -4.8312 -4.8289 -4.7503 -4.7307 -2.7747 -2.7727 -0.8732 -0.8390 -0.7817 -0.7418 -0.4589 -0.4038 0.2046 0.2393 0.7825 0.8219 1.2244 1.2689 1.7853 1.8663 2.0050 2.0626 2.1974 2.2923 2.3679 2.3831 3.7273 3.8260 k = 0.5000 0.5000 0.4167 ( 9848 PWs) bands (ev): -7.5627 -7.5626 -7.5617 -7.5611 -6.4211 -6.4209 -6.2298 -6.2248 -5.2537 -5.2507 -5.2421 -5.2414 -5.1820 -5.1815 -5.1568 -5.1346 -4.9199 -4.9176 -4.8892 -4.8869 -4.8764 -4.8758 -4.8379 -4.8363 -4.8310 -4.8296 -4.7478 -4.7316 -2.7884 -2.7868 -0.8676 -0.8443 -0.7977 -0.7582 -0.4841 -0.4353 0.3156 0.3461 0.7969 0.8324 1.1507 1.1932 1.8168 1.8854 2.0199 2.0638 2.2172 2.2916 2.3717 2.3868 3.7217 3.8022 k = 0.5000 0.5000 0.4375 ( 9864 PWs) bands (ev): -7.5602 -7.5601 -7.5592 -7.5588 -6.4256 -6.4255 -6.2306 -6.2268 -5.2537 -5.2516 -5.2424 -5.2419 -5.1818 -5.1813 -5.1536 -5.1367 -4.9202 -4.9185 -4.8890 -4.8873 -4.8765 -4.8761 -4.8369 -4.8359 -4.8310 -4.8303 -4.7454 -4.7329 -2.7989 -2.7977 -0.8630 -0.8497 -0.8078 -0.7712 -0.5029 -0.4631 0.4259 0.4525 0.8066 0.8389 1.0691 1.1104 1.8439 1.8989 2.0319 2.0592 2.2410 2.2923 2.3767 2.3905 3.7187 3.7801 k = 0.5000 0.5000 0.4583 ( 9864 PWs) bands (ev): -7.5584 -7.5583 -7.5573 -7.5571 -6.4289 -6.4288 -6.2310 -6.2284 -5.2536 -5.2522 -5.2427 -5.2424 -5.1816 -5.1812 -5.1505 -5.1391 -4.9203 -4.9192 -4.8887 -4.8876 -4.8765 -4.8763 -4.8361 -4.8355 -4.8311 -4.8309 -4.7430 -4.7345 -2.8063 -2.8055 -0.8605 -0.8545 -0.8108 -0.7821 -0.5145 -0.4862 0.5343 0.5567 0.8087 0.8382 0.9861 1.0261 1.8666 1.9057 2.0404 2.0545 2.2621 2.2931 2.3822 2.3929 3.7190 3.7604 k = 0.5000 0.5000 0.4792 ( 9848 PWs) bands (ev): -7.5573 -7.5572 -7.5562 -7.5561 -6.4308 -6.4308 -6.2310 -6.2297 -5.2534 -5.2527 -5.2428 -5.2426 -5.1814 -5.1812 -5.1475 -5.1417 -4.9202 -4.9197 -4.8885 -4.8879 -4.8765 -4.8764 -4.8354 -4.8352 -4.8313 -4.8312 -4.7406 -4.7363 -2.8107 -2.8102 -0.8600 -0.8579 -0.8076 -0.7917 -0.5185 -0.5037 0.6389 0.6549 0.7944 0.8138 0.9229 0.9524 1.8847 1.9051 2.0458 2.0513 2.2779 2.2921 2.3872 2.3931 3.7231 3.7440 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -7.5569 -7.5569 -7.5558 -7.5558 -6.4315 -6.4315 -6.2306 -6.2306 -5.2531 -5.2531 -5.2428 -5.2428 -5.1813 -5.1813 -5.1445 -5.1445 -4.9200 -4.9200 -4.8882 -4.8882 -4.8765 -4.8765 -4.8351 -4.8351 -4.8313 -4.8313 -4.7384 -4.7384 -2.8120 -2.8120 -0.8596 -0.8596 -0.8005 -0.8005 -0.5147 -0.5147 0.7227 0.7227 0.7571 0.7571 0.9133 0.9133 1.8978 1.8978 2.0489 2.0489 2.2876 2.2876 2.3911 2.3911 3.7315 3.7315 Writing output data file ZnSb2.save init_run : 1.33s CPU 0.79s WALL ( 1 calls) electrons : 293.53s CPU 224.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.20s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 293.52s CPU 224.08s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.36s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.27s CPU 0.36s WALL ( 245 calls) cegterg : 239.22s CPU 192.08s WALL ( 249 calls) Called by sum_band: Called by *egterg: h_psi : 187.36s CPU 131.38s WALL ( 4606 calls) s_psi : 9.06s CPU 6.57s WALL ( 4606 calls) g_psi : 0.17s CPU 0.19s WALL ( 4112 calls) cdiaghg : 65.57s CPU 59.64s WALL ( 4357 calls) cegterg:over : 8.47s CPU 7.49s WALL ( 4112 calls) cegterg:upda : 6.46s CPU 5.53s WALL ( 4112 calls) cegterg:last : 2.69s CPU 2.84s WALL ( 739 calls) cdiaghg:chol : 2.71s CPU 2.61s WALL ( 4357 calls) cdiaghg:inve : 1.54s CPU 1.48s WALL ( 4357 calls) cdiaghg:para : 3.46s CPU 3.18s WALL ( 8714 calls) Called by h_psi: h_psi:vloc : 166.76s CPU 116.05s WALL ( 4606 calls) h_psi:vnl : 20.38s CPU 15.14s WALL ( 4606 calls) add_vuspsi : 11.88s CPU 8.48s WALL ( 4606 calls) General routines calbec : 8.48s CPU 6.64s WALL ( 4606 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 162.21s CPU 112.57s WALL ( 543120 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.22s CPU 0.78s WALL ( 490 calls) Parallel routines fft_scatter : 94.95s CPU 71.22s WALL ( 543143 calls) PWSCF : 5m24.17s CPU 4m34.07s WALL This run was terminated on: 16:45:20 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=