Program PWSCF v.5.1.1 starts on 16Jul2015 at 14:48:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./GaAs.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 10 3 411 254 47 Max 14 11 4 420 272 52 Sum 443 327 105 13303 8349 1559 bravais-lattice index = 14 lattice parameter (alat) = 4.6903 a.u. unit-cell volume = 211.7947 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.690300 celldm(2)= 1.054795 celldm(3)= 1.946011 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 1.054795 0.000000 ) a(3) = ( 0.000000 0.000000 1.946011 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.948052 -0.000000 ) b(3) = ( 0.000000 0.000000 0.513872 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 As 5.00 74.92160 As( 1.00) Ga 13.00 69.72300 Ga( 1.00) 4 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 640 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 2) = ( 0.0078125 -0.0000000 -0.0000000), wk = 0.0015625 k( 3) = ( 0.0156250 -0.0000000 -0.0000000), wk = 0.0015625 k( 4) = ( 0.0234375 -0.0000000 -0.0000000), wk = 0.0015625 k( 5) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0015625 k( 6) = ( 0.0390625 -0.0000000 -0.0000000), wk = 0.0015625 k( 7) = ( 0.0468750 -0.0000000 -0.0000000), wk = 0.0015625 k( 8) = ( 0.0546875 -0.0000000 -0.0000000), wk = 0.0015625 k( 9) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0015625 k( 10) = ( 0.0703125 -0.0000000 -0.0000000), wk = 0.0015625 k( 11) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0015625 k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0015625 k( 13) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0015625 k( 14) = ( 0.1015625 -0.0000000 -0.0000000), wk = 0.0015625 k( 15) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0015625 k( 16) = ( 0.1171875 -0.0000000 -0.0000000), wk = 0.0015625 k( 17) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0015625 k( 18) = ( 0.1328125 -0.0000000 -0.0000000), wk = 0.0015625 k( 19) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0015625 k( 20) = ( 0.1484375 -0.0000000 -0.0000000), wk = 0.0015625 k( 21) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0015625 k( 22) = ( 0.1640625 -0.0000000 -0.0000000), wk = 0.0015625 k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0015625 k( 24) = ( 0.1796875 -0.0000000 -0.0000000), wk = 0.0015625 k( 25) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0015625 k( 26) = ( 0.1953125 -0.0000000 -0.0000000), wk = 0.0015625 k( 27) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0015625 k( 28) = ( 0.2109375 -0.0000000 -0.0000000), wk = 0.0015625 k( 29) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0015625 k( 30) = ( 0.2265625 -0.0000000 -0.0000000), wk = 0.0015625 k( 31) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0015625 k( 32) = ( 0.2421875 -0.0000000 -0.0000000), wk = 0.0015625 k( 33) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0015625 k( 34) = ( 0.2578125 -0.0000000 -0.0000000), wk = 0.0015625 k( 35) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0015625 k( 36) = ( 0.2734375 -0.0000000 -0.0000000), wk = 0.0015625 k( 37) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0015625 k( 38) = ( 0.2890625 -0.0000000 -0.0000000), wk = 0.0015625 k( 39) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0015625 k( 40) = ( 0.3046875 -0.0000000 -0.0000000), wk = 0.0015625 k( 41) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0015625 k( 42) = ( 0.3203125 -0.0000000 -0.0000000), wk = 0.0015625 k( 43) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0015625 k( 44) = ( 0.3359375 -0.0000000 -0.0000000), wk = 0.0015625 k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0015625 k( 46) = ( 0.3515625 -0.0000000 -0.0000000), wk = 0.0015625 k( 47) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0015625 k( 48) = ( 0.3671875 -0.0000000 -0.0000000), wk = 0.0015625 k( 49) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0015625 k( 50) = ( 0.3828125 -0.0000000 -0.0000000), wk = 0.0015625 k( 51) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0015625 k( 52) = ( 0.3984375 -0.0000000 -0.0000000), wk = 0.0015625 k( 53) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0015625 k( 54) = ( 0.4140625 -0.0000000 -0.0000000), wk = 0.0015625 k( 55) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0015625 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0015625 k( 57) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0015625 k( 58) = ( 0.4453125 -0.0000000 -0.0000000), wk = 0.0015625 k( 59) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0015625 k( 60) = ( 0.4609375 -0.0000000 -0.0000000), wk = 0.0015625 k( 61) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0015625 k( 62) = ( 0.4765625 -0.0000000 -0.0000000), wk = 0.0015625 k( 63) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0015625 k( 64) = ( 0.4921875 -0.0000000 -0.0000000), wk = 0.0015625 k( 65) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015625 k( 66) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015625 k( 67) = ( 0.5000000 0.0079004 -0.0000000), wk = 0.0015625 k( 68) = ( 0.5000000 0.0158009 -0.0000000), wk = 0.0015625 k( 69) = ( 0.5000000 0.0237013 -0.0000000), wk = 0.0015625 k( 70) = ( 0.5000000 0.0316017 -0.0000000), wk = 0.0015625 k( 71) = ( 0.5000000 0.0395022 -0.0000000), wk = 0.0015625 k( 72) = ( 0.5000000 0.0474026 -0.0000000), wk = 0.0015625 k( 73) = ( 0.5000000 0.0553030 -0.0000000), wk = 0.0015625 k( 74) = ( 0.5000000 0.0632035 -0.0000000), wk = 0.0015625 k( 75) = ( 0.5000000 0.0711039 -0.0000000), wk = 0.0015625 k( 76) = ( 0.5000000 0.0790043 -0.0000000), wk = 0.0015625 k( 77) = ( 0.5000000 0.0869048 -0.0000000), wk = 0.0015625 k( 78) = ( 0.5000000 0.0948052 -0.0000000), wk = 0.0015625 k( 79) = ( 0.5000000 0.1027056 -0.0000000), wk = 0.0015625 k( 80) = ( 0.5000000 0.1106061 -0.0000000), wk = 0.0015625 k( 81) = ( 0.5000000 0.1185065 -0.0000000), wk = 0.0015625 k( 82) = ( 0.5000000 0.1264069 -0.0000000), wk = 0.0015625 k( 83) = ( 0.5000000 0.1343074 -0.0000000), wk = 0.0015625 k( 84) = ( 0.5000000 0.1422078 -0.0000000), wk = 0.0015625 k( 85) = ( 0.5000000 0.1501082 -0.0000000), wk = 0.0015625 k( 86) = ( 0.5000000 0.1580087 -0.0000000), wk = 0.0015625 k( 87) = ( 0.5000000 0.1659091 -0.0000000), wk = 0.0015625 k( 88) = ( 0.5000000 0.1738095 -0.0000000), wk = 0.0015625 k( 89) = ( 0.5000000 0.1817100 -0.0000000), wk = 0.0015625 k( 90) = ( 0.5000000 0.1896104 -0.0000000), wk = 0.0015625 k( 91) = ( 0.5000000 0.1975108 -0.0000000), wk = 0.0015625 k( 92) = ( 0.5000000 0.2054113 -0.0000000), wk = 0.0015625 k( 93) = ( 0.5000000 0.2133117 -0.0000000), wk = 0.0015625 k( 94) = ( 0.5000000 0.2212121 -0.0000000), wk = 0.0015625 k( 95) = ( 0.5000000 0.2291126 -0.0000000), wk = 0.0015625 k( 96) = ( 0.5000000 0.2370130 -0.0000000), wk = 0.0015625 k( 97) = ( 0.5000000 0.2449134 -0.0000000), wk = 0.0015625 k( 98) = ( 0.5000000 0.2528139 -0.0000000), wk = 0.0015625 k( 99) = ( 0.5000000 0.2607143 -0.0000000), wk = 0.0015625 k( 100) = ( 0.5000000 0.2686147 -0.0000000), wk = 0.0015625 k( 101) = ( 0.5000000 0.2765152 -0.0000000), wk = 0.0015625 k( 102) = ( 0.5000000 0.2844156 -0.0000000), wk = 0.0015625 k( 103) = ( 0.5000000 0.2923160 -0.0000000), wk = 0.0015625 k( 104) = ( 0.5000000 0.3002165 -0.0000000), wk = 0.0015625 k( 105) = ( 0.5000000 0.3081169 -0.0000000), wk = 0.0015625 k( 106) = ( 0.5000000 0.3160173 -0.0000000), wk = 0.0015625 k( 107) = ( 0.5000000 0.3239178 -0.0000000), wk = 0.0015625 k( 108) = ( 0.5000000 0.3318182 -0.0000000), wk = 0.0015625 k( 109) = ( 0.5000000 0.3397186 -0.0000000), wk = 0.0015625 k( 110) = ( 0.5000000 0.3476191 -0.0000000), wk = 0.0015625 k( 111) = ( 0.5000000 0.3555195 -0.0000000), wk = 0.0015625 k( 112) = ( 0.5000000 0.3634199 -0.0000000), wk = 0.0015625 k( 113) = ( 0.5000000 0.3713203 -0.0000000), wk = 0.0015625 k( 114) = ( 0.5000000 0.3792208 -0.0000000), wk = 0.0015625 k( 115) = ( 0.5000000 0.3871212 -0.0000000), wk = 0.0015625 k( 116) = ( 0.5000000 0.3950216 -0.0000000), wk = 0.0015625 k( 117) = ( 0.5000000 0.4029221 -0.0000000), wk = 0.0015625 k( 118) = ( 0.5000000 0.4108225 -0.0000000), wk = 0.0015625 k( 119) = ( 0.5000000 0.4187229 -0.0000000), wk = 0.0015625 k( 120) = ( 0.5000000 0.4266234 -0.0000000), wk = 0.0015625 k( 121) = ( 0.5000000 0.4345238 -0.0000000), wk = 0.0015625 k( 122) = ( 0.5000000 0.4424242 -0.0000000), wk = 0.0015625 k( 123) = ( 0.5000000 0.4503247 -0.0000000), wk = 0.0015625 k( 124) = ( 0.5000000 0.4582251 -0.0000000), wk = 0.0015625 k( 125) = ( 0.5000000 0.4661255 -0.0000000), wk = 0.0015625 k( 126) = ( 0.5000000 0.4740260 -0.0000000), wk = 0.0015625 k( 127) = ( 0.5000000 0.4740260 -0.0000000), wk = 0.0015625 k( 128) = ( 0.4921875 0.4740260 -0.0000000), wk = 0.0015625 k( 129) = ( 0.4843750 0.4740260 -0.0000000), wk = 0.0015625 k( 130) = ( 0.4765625 0.4740260 -0.0000000), wk = 0.0015625 k( 131) = ( 0.4687500 0.4740260 -0.0000000), wk = 0.0015625 k( 132) = ( 0.4609375 0.4740260 -0.0000000), wk = 0.0015625 k( 133) = ( 0.4531250 0.4740260 -0.0000000), wk = 0.0015625 k( 134) = ( 0.4453125 0.4740260 -0.0000000), wk = 0.0015625 k( 135) = ( 0.4375000 0.4740260 -0.0000000), wk = 0.0015625 k( 136) = ( 0.4296875 0.4740260 -0.0000000), wk = 0.0015625 k( 137) = ( 0.4218750 0.4740260 -0.0000000), wk = 0.0015625 k( 138) = ( 0.4140625 0.4740260 -0.0000000), wk = 0.0015625 k( 139) = ( 0.4062500 0.4740260 -0.0000000), wk = 0.0015625 k( 140) = ( 0.3984375 0.4740260 -0.0000000), wk = 0.0015625 k( 141) = ( 0.3906250 0.4740260 -0.0000000), wk = 0.0015625 k( 142) = ( 0.3828125 0.4740260 -0.0000000), wk = 0.0015625 k( 143) = ( 0.3750000 0.4740260 -0.0000000), wk = 0.0015625 k( 144) = ( 0.3671875 0.4740260 -0.0000000), wk = 0.0015625 k( 145) = ( 0.3593750 0.4740260 -0.0000000), wk = 0.0015625 k( 146) = ( 0.3515625 0.4740260 -0.0000000), wk = 0.0015625 k( 147) = ( 0.3437500 0.4740260 -0.0000000), wk = 0.0015625 k( 148) = ( 0.3359375 0.4740260 -0.0000000), wk = 0.0015625 k( 149) = ( 0.3281250 0.4740260 -0.0000000), wk = 0.0015625 k( 150) = ( 0.3203125 0.4740260 -0.0000000), wk = 0.0015625 k( 151) = ( 0.3125000 0.4740260 -0.0000000), wk = 0.0015625 k( 152) = ( 0.3046875 0.4740260 -0.0000000), wk = 0.0015625 k( 153) = ( 0.2968750 0.4740260 -0.0000000), wk = 0.0015625 k( 154) = ( 0.2890625 0.4740260 -0.0000000), wk = 0.0015625 k( 155) = ( 0.2812500 0.4740260 -0.0000000), wk = 0.0015625 k( 156) = ( 0.2734375 0.4740260 -0.0000000), wk = 0.0015625 k( 157) = ( 0.2656250 0.4740260 -0.0000000), wk = 0.0015625 k( 158) = ( 0.2578125 0.4740260 -0.0000000), wk = 0.0015625 k( 159) = ( 0.2500000 0.4740260 -0.0000000), wk = 0.0015625 k( 160) = ( 0.2421875 0.4740260 -0.0000000), wk = 0.0015625 k( 161) = ( 0.2343750 0.4740260 -0.0000000), wk = 0.0015625 k( 162) = ( 0.2265625 0.4740260 -0.0000000), wk = 0.0015625 k( 163) = ( 0.2187500 0.4740260 -0.0000000), wk = 0.0015625 k( 164) = ( 0.2109375 0.4740260 -0.0000000), wk = 0.0015625 k( 165) = ( 0.2031250 0.4740260 -0.0000000), wk = 0.0015625 k( 166) = ( 0.1953125 0.4740260 -0.0000000), wk = 0.0015625 k( 167) = ( 0.1875000 0.4740260 -0.0000000), wk = 0.0015625 k( 168) = ( 0.1796875 0.4740260 -0.0000000), wk = 0.0015625 k( 169) = ( 0.1718750 0.4740260 -0.0000000), wk = 0.0015625 k( 170) = ( 0.1640625 0.4740260 -0.0000000), wk = 0.0015625 k( 171) = ( 0.1562500 0.4740260 -0.0000000), wk = 0.0015625 k( 172) = ( 0.1484375 0.4740260 -0.0000000), wk = 0.0015625 k( 173) = ( 0.1406250 0.4740260 -0.0000000), wk = 0.0015625 k( 174) = ( 0.1328125 0.4740260 -0.0000000), wk = 0.0015625 k( 175) = ( 0.1250000 0.4740260 -0.0000000), wk = 0.0015625 k( 176) = ( 0.1171875 0.4740260 -0.0000000), wk = 0.0015625 k( 177) = ( 0.1093750 0.4740260 -0.0000000), wk = 0.0015625 k( 178) = ( 0.1015625 0.4740260 -0.0000000), wk = 0.0015625 k( 179) = ( 0.0937500 0.4740260 -0.0000000), wk = 0.0015625 k( 180) = ( 0.0859375 0.4740260 -0.0000000), wk = 0.0015625 k( 181) = ( 0.0781250 0.4740260 -0.0000000), wk = 0.0015625 k( 182) = ( 0.0703125 0.4740260 -0.0000000), wk = 0.0015625 k( 183) = ( 0.0625000 0.4740260 -0.0000000), wk = 0.0015625 k( 184) = ( 0.0546875 0.4740260 -0.0000000), wk = 0.0015625 k( 185) = ( 0.0468750 0.4740260 -0.0000000), wk = 0.0015625 k( 186) = ( 0.0390625 0.4740260 -0.0000000), wk = 0.0015625 k( 187) = ( 0.0312500 0.4740260 -0.0000000), wk = 0.0015625 k( 188) = ( 0.0234375 0.4740260 -0.0000000), wk = 0.0015625 k( 189) = ( 0.0156250 0.4740260 -0.0000000), wk = 0.0015625 k( 190) = ( 0.0078125 0.4740260 -0.0000000), wk = 0.0015625 k( 191) = ( 0.0000000 0.4740260 -0.0000000), wk = 0.0015625 k( 192) = ( 0.0000000 0.4740260 -0.0000000), wk = 0.0015625 k( 193) = ( 0.0000000 0.4661255 -0.0000000), wk = 0.0015625 k( 194) = ( 0.0000000 0.4582251 -0.0000000), wk = 0.0015625 k( 195) = ( 0.0000000 0.4503247 -0.0000000), wk = 0.0015625 k( 196) = ( 0.0000000 0.4424242 -0.0000000), wk = 0.0015625 k( 197) = ( 0.0000000 0.4345238 -0.0000000), wk = 0.0015625 k( 198) = ( 0.0000000 0.4266234 -0.0000000), wk = 0.0015625 k( 199) = ( 0.0000000 0.4187229 -0.0000000), wk = 0.0015625 k( 200) = ( 0.0000000 0.4108225 -0.0000000), wk = 0.0015625 k( 201) = ( 0.0000000 0.4029221 -0.0000000), wk = 0.0015625 k( 202) = ( 0.0000000 0.3950216 -0.0000000), wk = 0.0015625 k( 203) = ( 0.0000000 0.3871212 -0.0000000), wk = 0.0015625 k( 204) = ( 0.0000000 0.3792208 -0.0000000), wk = 0.0015625 k( 205) = ( 0.0000000 0.3713203 -0.0000000), wk = 0.0015625 k( 206) = ( 0.0000000 0.3634199 -0.0000000), wk = 0.0015625 k( 207) = ( 0.0000000 0.3555195 -0.0000000), wk = 0.0015625 k( 208) = ( 0.0000000 0.3476191 -0.0000000), wk = 0.0015625 k( 209) = ( 0.0000000 0.3397186 -0.0000000), wk = 0.0015625 k( 210) = ( 0.0000000 0.3318182 -0.0000000), wk = 0.0015625 k( 211) = ( 0.0000000 0.3239178 -0.0000000), wk = 0.0015625 k( 212) = ( 0.0000000 0.3160173 -0.0000000), wk = 0.0015625 k( 213) = ( 0.0000000 0.3081169 -0.0000000), wk = 0.0015625 k( 214) = ( 0.0000000 0.3002165 -0.0000000), wk = 0.0015625 k( 215) = ( 0.0000000 0.2923160 -0.0000000), wk = 0.0015625 k( 216) = ( 0.0000000 0.2844156 -0.0000000), wk = 0.0015625 k( 217) = ( 0.0000000 0.2765152 -0.0000000), wk = 0.0015625 k( 218) = ( 0.0000000 0.2686147 -0.0000000), wk = 0.0015625 k( 219) = ( 0.0000000 0.2607143 -0.0000000), wk = 0.0015625 k( 220) = ( 0.0000000 0.2528139 -0.0000000), wk = 0.0015625 k( 221) = ( 0.0000000 0.2449134 -0.0000000), wk = 0.0015625 k( 222) = ( 0.0000000 0.2370130 -0.0000000), wk = 0.0015625 k( 223) = ( 0.0000000 0.2291126 -0.0000000), wk = 0.0015625 k( 224) = ( 0.0000000 0.2212121 -0.0000000), wk = 0.0015625 k( 225) = ( 0.0000000 0.2133117 -0.0000000), wk = 0.0015625 k( 226) = ( 0.0000000 0.2054113 -0.0000000), wk = 0.0015625 k( 227) = ( 0.0000000 0.1975108 -0.0000000), wk = 0.0015625 k( 228) = ( 0.0000000 0.1896104 -0.0000000), wk = 0.0015625 k( 229) = ( 0.0000000 0.1817100 -0.0000000), wk = 0.0015625 k( 230) = ( 0.0000000 0.1738095 -0.0000000), wk = 0.0015625 k( 231) = ( 0.0000000 0.1659091 -0.0000000), wk = 0.0015625 k( 232) = ( 0.0000000 0.1580087 -0.0000000), wk = 0.0015625 k( 233) = ( 0.0000000 0.1501082 -0.0000000), wk = 0.0015625 k( 234) = ( 0.0000000 0.1422078 -0.0000000), wk = 0.0015625 k( 235) = ( 0.0000000 0.1343074 -0.0000000), wk = 0.0015625 k( 236) = ( 0.0000000 0.1264069 -0.0000000), wk = 0.0015625 k( 237) = ( 0.0000000 0.1185065 -0.0000000), wk = 0.0015625 k( 238) = ( 0.0000000 0.1106061 -0.0000000), wk = 0.0015625 k( 239) = ( 0.0000000 0.1027056 -0.0000000), wk = 0.0015625 k( 240) = ( 0.0000000 0.0948052 -0.0000000), wk = 0.0015625 k( 241) = ( 0.0000000 0.0869048 -0.0000000), wk = 0.0015625 k( 242) = ( 0.0000000 0.0790043 -0.0000000), wk = 0.0015625 k( 243) = ( 0.0000000 0.0711039 -0.0000000), wk = 0.0015625 k( 244) = ( 0.0000000 0.0632035 -0.0000000), wk = 0.0015625 k( 245) = ( 0.0000000 0.0553030 -0.0000000), wk = 0.0015625 k( 246) = ( 0.0000000 0.0474026 -0.0000000), wk = 0.0015625 k( 247) = ( 0.0000000 0.0395022 -0.0000000), wk = 0.0015625 k( 248) = ( 0.0000000 0.0316017 -0.0000000), wk = 0.0015625 k( 249) = ( 0.0000000 0.0237013 -0.0000000), wk = 0.0015625 k( 250) = ( 0.0000000 0.0158009 -0.0000000), wk = 0.0015625 k( 251) = ( 0.0000000 0.0079004 -0.0000000), wk = 0.0015625 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 254) = ( 0.0000000 0.0000000 0.0077859), wk = 0.0015625 k( 255) = ( 0.0000000 0.0000000 0.0155719), wk = 0.0015625 k( 256) = ( 0.0000000 0.0000000 0.0233578), wk = 0.0015625 k( 257) = ( 0.0000000 0.0000000 0.0311437), wk = 0.0015625 k( 258) = ( 0.0000000 0.0000000 0.0389297), wk = 0.0015625 k( 259) = ( 0.0000000 0.0000000 0.0467156), wk = 0.0015625 k( 260) = ( 0.0000000 0.0000000 0.0545015), wk = 0.0015625 k( 261) = ( 0.0000000 0.0000000 0.0622875), wk = 0.0015625 k( 262) = ( 0.0000000 0.0000000 0.0700734), wk = 0.0015625 k( 263) = ( 0.0000000 0.0000000 0.0778593), wk = 0.0015625 k( 264) = ( 0.0000000 0.0000000 0.0856453), wk = 0.0015625 k( 265) = ( 0.0000000 0.0000000 0.0934312), wk = 0.0015625 k( 266) = ( 0.0000000 0.0000000 0.1012171), wk = 0.0015625 k( 267) = ( 0.0000000 0.0000000 0.1090031), wk = 0.0015625 k( 268) = ( 0.0000000 0.0000000 0.1167890), wk = 0.0015625 k( 269) = ( 0.0000000 0.0000000 0.1245749), wk = 0.0015625 k( 270) = ( 0.0000000 0.0000000 0.1323609), wk = 0.0015625 k( 271) = ( 0.0000000 0.0000000 0.1401468), wk = 0.0015625 k( 272) = ( 0.0000000 0.0000000 0.1479327), wk = 0.0015625 k( 273) = ( 0.0000000 0.0000000 0.1557187), wk = 0.0015625 k( 274) = ( 0.0000000 0.0000000 0.1635046), wk = 0.0015625 k( 275) = ( 0.0000000 0.0000000 0.1712905), wk = 0.0015625 k( 276) = ( 0.0000000 0.0000000 0.1790765), wk = 0.0015625 k( 277) = ( 0.0000000 0.0000000 0.1868624), wk = 0.0015625 k( 278) = ( 0.0000000 0.0000000 0.1946483), wk = 0.0015625 k( 279) = ( 0.0000000 0.0000000 0.2024343), wk = 0.0015625 k( 280) = ( 0.0000000 0.0000000 0.2102202), wk = 0.0015625 k( 281) = ( 0.0000000 0.0000000 0.2180061), wk = 0.0015625 k( 282) = ( 0.0000000 0.0000000 0.2257921), wk = 0.0015625 k( 283) = ( 0.0000000 0.0000000 0.2335780), wk = 0.0015625 k( 284) = ( 0.0000000 0.0000000 0.2413640), wk = 0.0015625 k( 285) = ( 0.0000000 0.0000000 0.2491499), wk = 0.0015625 k( 286) = ( 0.0000000 0.0000000 0.2569358), wk = 0.0015625 k( 287) = ( 0.0000000 0.0000000 0.2569358), wk = 0.0015625 k( 288) = ( 0.0078125 -0.0000000 0.2569358), wk = 0.0015625 k( 289) = ( 0.0156250 -0.0000000 0.2569358), wk = 0.0015625 k( 290) = ( 0.0234375 -0.0000000 0.2569358), wk = 0.0015625 k( 291) = ( 0.0312500 -0.0000000 0.2569358), wk = 0.0015625 k( 292) = ( 0.0390625 -0.0000000 0.2569358), wk = 0.0015625 k( 293) = ( 0.0468750 -0.0000000 0.2569358), wk = 0.0015625 k( 294) = ( 0.0546875 -0.0000000 0.2569358), wk = 0.0015625 k( 295) = ( 0.0625000 -0.0000000 0.2569358), wk = 0.0015625 k( 296) = ( 0.0703125 -0.0000000 0.2569358), wk = 0.0015625 k( 297) = ( 0.0781250 -0.0000000 0.2569358), wk = 0.0015625 k( 298) = ( 0.0859375 -0.0000000 0.2569358), wk = 0.0015625 k( 299) = ( 0.0937500 -0.0000000 0.2569358), wk = 0.0015625 k( 300) = ( 0.1015625 -0.0000000 0.2569358), wk = 0.0015625 k( 301) = ( 0.1093750 -0.0000000 0.2569358), wk = 0.0015625 k( 302) = ( 0.1171875 -0.0000000 0.2569358), wk = 0.0015625 k( 303) = ( 0.1250000 -0.0000000 0.2569358), wk = 0.0015625 k( 304) = ( 0.1328125 -0.0000000 0.2569358), wk = 0.0015625 k( 305) = ( 0.1406250 -0.0000000 0.2569358), wk = 0.0015625 k( 306) = ( 0.1484375 -0.0000000 0.2569358), wk = 0.0015625 k( 307) = ( 0.1562500 -0.0000000 0.2569358), wk = 0.0015625 k( 308) = ( 0.1640625 -0.0000000 0.2569358), wk = 0.0015625 k( 309) = ( 0.1718750 -0.0000000 0.2569358), wk = 0.0015625 k( 310) = ( 0.1796875 -0.0000000 0.2569358), wk = 0.0015625 k( 311) = ( 0.1875000 -0.0000000 0.2569358), wk = 0.0015625 k( 312) = ( 0.1953125 -0.0000000 0.2569358), wk = 0.0015625 k( 313) = ( 0.2031250 -0.0000000 0.2569358), wk = 0.0015625 k( 314) = ( 0.2109375 -0.0000000 0.2569358), wk = 0.0015625 k( 315) = ( 0.2187500 -0.0000000 0.2569358), wk = 0.0015625 k( 316) = ( 0.2265625 -0.0000000 0.2569358), wk = 0.0015625 k( 317) = ( 0.2343750 -0.0000000 0.2569358), wk = 0.0015625 k( 318) = ( 0.2421875 -0.0000000 0.2569358), wk = 0.0015625 k( 319) = ( 0.2500000 -0.0000000 0.2569358), wk = 0.0015625 k( 320) = ( 0.2578125 -0.0000000 0.2569358), wk = 0.0015625 k( 321) = ( 0.2656250 -0.0000000 0.2569358), wk = 0.0015625 k( 322) = ( 0.2734375 -0.0000000 0.2569358), wk = 0.0015625 k( 323) = ( 0.2812500 -0.0000000 0.2569358), wk = 0.0015625 k( 324) = ( 0.2890625 -0.0000000 0.2569358), wk = 0.0015625 k( 325) = ( 0.2968750 -0.0000000 0.2569358), wk = 0.0015625 k( 326) = ( 0.3046875 -0.0000000 0.2569358), wk = 0.0015625 k( 327) = ( 0.3125000 -0.0000000 0.2569358), wk = 0.0015625 k( 328) = ( 0.3203125 -0.0000000 0.2569358), wk = 0.0015625 k( 329) = ( 0.3281250 -0.0000000 0.2569358), wk = 0.0015625 k( 330) = ( 0.3359375 -0.0000000 0.2569358), wk = 0.0015625 k( 331) = ( 0.3437500 -0.0000000 0.2569358), wk = 0.0015625 k( 332) = ( 0.3515625 -0.0000000 0.2569358), wk = 0.0015625 k( 333) = ( 0.3593750 -0.0000000 0.2569358), wk = 0.0015625 k( 334) = ( 0.3671875 -0.0000000 0.2569358), wk = 0.0015625 k( 335) = ( 0.3750000 -0.0000000 0.2569358), wk = 0.0015625 k( 336) = ( 0.3828125 -0.0000000 0.2569358), wk = 0.0015625 k( 337) = ( 0.3906250 -0.0000000 0.2569358), wk = 0.0015625 k( 338) = ( 0.3984375 -0.0000000 0.2569358), wk = 0.0015625 k( 339) = ( 0.4062500 -0.0000000 0.2569358), wk = 0.0015625 k( 340) = ( 0.4140625 -0.0000000 0.2569358), wk = 0.0015625 k( 341) = ( 0.4218750 -0.0000000 0.2569358), wk = 0.0015625 k( 342) = ( 0.4296875 -0.0000000 0.2569358), wk = 0.0015625 k( 343) = ( 0.4375000 -0.0000000 0.2569358), wk = 0.0015625 k( 344) = ( 0.4453125 -0.0000000 0.2569358), wk = 0.0015625 k( 345) = ( 0.4531250 -0.0000000 0.2569358), wk = 0.0015625 k( 346) = ( 0.4609375 -0.0000000 0.2569358), wk = 0.0015625 k( 347) = ( 0.4687500 -0.0000000 0.2569358), wk = 0.0015625 k( 348) = ( 0.4765625 -0.0000000 0.2569358), wk = 0.0015625 k( 349) = ( 0.4843750 -0.0000000 0.2569358), wk = 0.0015625 k( 350) = ( 0.4921875 -0.0000000 0.2569358), wk = 0.0015625 k( 351) = ( 0.5000000 -0.0000000 0.2569358), wk = 0.0015625 k( 352) = ( 0.5000000 -0.0000000 0.2569358), wk = 0.0015625 k( 353) = ( 0.5000000 0.0079004 0.2569358), wk = 0.0015625 k( 354) = ( 0.5000000 0.0158009 0.2569358), wk = 0.0015625 k( 355) = ( 0.5000000 0.0237013 0.2569358), wk = 0.0015625 k( 356) = ( 0.5000000 0.0316017 0.2569358), wk = 0.0015625 k( 357) = ( 0.5000000 0.0395022 0.2569358), wk = 0.0015625 k( 358) = ( 0.5000000 0.0474026 0.2569358), wk = 0.0015625 k( 359) = ( 0.5000000 0.0553030 0.2569358), wk = 0.0015625 k( 360) = ( 0.5000000 0.0632035 0.2569358), wk = 0.0015625 k( 361) = ( 0.5000000 0.0711039 0.2569358), wk = 0.0015625 k( 362) = ( 0.5000000 0.0790043 0.2569358), wk = 0.0015625 k( 363) = ( 0.5000000 0.0869048 0.2569358), wk = 0.0015625 k( 364) = ( 0.5000000 0.0948052 0.2569358), wk = 0.0015625 k( 365) = ( 0.5000000 0.1027056 0.2569358), wk = 0.0015625 k( 366) = ( 0.5000000 0.1106061 0.2569358), wk = 0.0015625 k( 367) = ( 0.5000000 0.1185065 0.2569358), wk = 0.0015625 k( 368) = ( 0.5000000 0.1264069 0.2569358), wk = 0.0015625 k( 369) = ( 0.5000000 0.1343074 0.2569358), wk = 0.0015625 k( 370) = ( 0.5000000 0.1422078 0.2569358), wk = 0.0015625 k( 371) = ( 0.5000000 0.1501082 0.2569358), wk = 0.0015625 k( 372) = ( 0.5000000 0.1580087 0.2569358), wk = 0.0015625 k( 373) = ( 0.5000000 0.1659091 0.2569358), wk = 0.0015625 k( 374) = ( 0.5000000 0.1738095 0.2569358), wk = 0.0015625 k( 375) = ( 0.5000000 0.1817100 0.2569358), wk = 0.0015625 k( 376) = ( 0.5000000 0.1896104 0.2569358), wk = 0.0015625 k( 377) = ( 0.5000000 0.1975108 0.2569358), wk = 0.0015625 k( 378) = ( 0.5000000 0.2054113 0.2569358), wk = 0.0015625 k( 379) = ( 0.5000000 0.2133117 0.2569358), wk = 0.0015625 k( 380) = ( 0.5000000 0.2212121 0.2569358), wk = 0.0015625 k( 381) = ( 0.5000000 0.2291126 0.2569358), wk = 0.0015625 k( 382) = ( 0.5000000 0.2370130 0.2569358), wk = 0.0015625 k( 383) = ( 0.5000000 0.2449134 0.2569358), wk = 0.0015625 k( 384) = ( 0.5000000 0.2528139 0.2569358), wk = 0.0015625 k( 385) = ( 0.5000000 0.2607143 0.2569358), wk = 0.0015625 k( 386) = ( 0.5000000 0.2686147 0.2569358), wk = 0.0015625 k( 387) = ( 0.5000000 0.2765152 0.2569358), wk = 0.0015625 k( 388) = ( 0.5000000 0.2844156 0.2569358), wk = 0.0015625 k( 389) = ( 0.5000000 0.2923160 0.2569358), wk = 0.0015625 k( 390) = ( 0.5000000 0.3002165 0.2569358), wk = 0.0015625 k( 391) = ( 0.5000000 0.3081169 0.2569358), wk = 0.0015625 k( 392) = ( 0.5000000 0.3160173 0.2569358), wk = 0.0015625 k( 393) = ( 0.5000000 0.3239178 0.2569358), wk = 0.0015625 k( 394) = ( 0.5000000 0.3318182 0.2569358), wk = 0.0015625 k( 395) = ( 0.5000000 0.3397186 0.2569358), wk = 0.0015625 k( 396) = ( 0.5000000 0.3476191 0.2569358), wk = 0.0015625 k( 397) = ( 0.5000000 0.3555195 0.2569358), wk = 0.0015625 k( 398) = ( 0.5000000 0.3634199 0.2569358), wk = 0.0015625 k( 399) = ( 0.5000000 0.3713203 0.2569358), wk = 0.0015625 k( 400) = ( 0.5000000 0.3792208 0.2569358), wk = 0.0015625 k( 401) = ( 0.5000000 0.3871212 0.2569358), wk = 0.0015625 k( 402) = ( 0.5000000 0.3950216 0.2569358), wk = 0.0015625 k( 403) = ( 0.5000000 0.4029221 0.2569358), wk = 0.0015625 k( 404) = ( 0.5000000 0.4108225 0.2569358), wk = 0.0015625 k( 405) = ( 0.5000000 0.4187229 0.2569358), wk = 0.0015625 k( 406) = ( 0.5000000 0.4266234 0.2569358), wk = 0.0015625 k( 407) = ( 0.5000000 0.4345238 0.2569358), wk = 0.0015625 k( 408) = ( 0.5000000 0.4424242 0.2569358), wk = 0.0015625 k( 409) = ( 0.5000000 0.4503247 0.2569358), wk = 0.0015625 k( 410) = ( 0.5000000 0.4582251 0.2569358), wk = 0.0015625 k( 411) = ( 0.5000000 0.4661255 0.2569358), wk = 0.0015625 k( 412) = ( 0.5000000 0.4740260 0.2569358), wk = 0.0015625 k( 413) = ( 0.5000000 0.4740260 0.2569358), wk = 0.0015625 k( 414) = ( 0.4921875 0.4740260 0.2569358), wk = 0.0015625 k( 415) = ( 0.4843750 0.4740260 0.2569358), wk = 0.0015625 k( 416) = ( 0.4765625 0.4740260 0.2569358), wk = 0.0015625 k( 417) = ( 0.4687500 0.4740260 0.2569358), wk = 0.0015625 k( 418) = ( 0.4609375 0.4740260 0.2569358), wk = 0.0015625 k( 419) = ( 0.4531250 0.4740260 0.2569358), wk = 0.0015625 k( 420) = ( 0.4453125 0.4740260 0.2569358), wk = 0.0015625 k( 421) = ( 0.4375000 0.4740260 0.2569358), wk = 0.0015625 k( 422) = ( 0.4296875 0.4740260 0.2569358), wk = 0.0015625 k( 423) = ( 0.4218750 0.4740260 0.2569358), wk = 0.0015625 k( 424) = ( 0.4140625 0.4740260 0.2569358), wk = 0.0015625 k( 425) = ( 0.4062500 0.4740260 0.2569358), wk = 0.0015625 k( 426) = ( 0.3984375 0.4740260 0.2569358), wk = 0.0015625 k( 427) = ( 0.3906250 0.4740260 0.2569358), wk = 0.0015625 k( 428) = ( 0.3828125 0.4740260 0.2569358), wk = 0.0015625 k( 429) = ( 0.3750000 0.4740260 0.2569358), wk = 0.0015625 k( 430) = ( 0.3671875 0.4740260 0.2569358), wk = 0.0015625 k( 431) = ( 0.3593750 0.4740260 0.2569358), wk = 0.0015625 k( 432) = ( 0.3515625 0.4740260 0.2569358), wk = 0.0015625 k( 433) = ( 0.3437500 0.4740260 0.2569358), wk = 0.0015625 k( 434) = ( 0.3359375 0.4740260 0.2569358), wk = 0.0015625 k( 435) = ( 0.3281250 0.4740260 0.2569358), wk = 0.0015625 k( 436) = ( 0.3203125 0.4740260 0.2569358), wk = 0.0015625 k( 437) = ( 0.3125000 0.4740260 0.2569358), wk = 0.0015625 k( 438) = ( 0.3046875 0.4740260 0.2569358), wk = 0.0015625 k( 439) = ( 0.2968750 0.4740260 0.2569358), wk = 0.0015625 k( 440) = ( 0.2890625 0.4740260 0.2569358), wk = 0.0015625 k( 441) = ( 0.2812500 0.4740260 0.2569358), wk = 0.0015625 k( 442) = ( 0.2734375 0.4740260 0.2569358), wk = 0.0015625 k( 443) = ( 0.2656250 0.4740260 0.2569358), wk = 0.0015625 k( 444) = ( 0.2578125 0.4740260 0.2569358), wk = 0.0015625 k( 445) = ( 0.2500000 0.4740260 0.2569358), wk = 0.0015625 k( 446) = ( 0.2421875 0.4740260 0.2569358), wk = 0.0015625 k( 447) = ( 0.2343750 0.4740260 0.2569358), wk = 0.0015625 k( 448) = ( 0.2265625 0.4740260 0.2569358), wk = 0.0015625 k( 449) = ( 0.2187500 0.4740260 0.2569358), wk = 0.0015625 k( 450) = ( 0.2109375 0.4740260 0.2569358), wk = 0.0015625 k( 451) = ( 0.2031250 0.4740260 0.2569358), wk = 0.0015625 k( 452) = ( 0.1953125 0.4740260 0.2569358), wk = 0.0015625 k( 453) = ( 0.1875000 0.4740260 0.2569358), wk = 0.0015625 k( 454) = ( 0.1796875 0.4740260 0.2569358), wk = 0.0015625 k( 455) = ( 0.1718750 0.4740260 0.2569358), wk = 0.0015625 k( 456) = ( 0.1640625 0.4740260 0.2569358), wk = 0.0015625 k( 457) = ( 0.1562500 0.4740260 0.2569358), wk = 0.0015625 k( 458) = ( 0.1484375 0.4740260 0.2569358), wk = 0.0015625 k( 459) = ( 0.1406250 0.4740260 0.2569358), wk = 0.0015625 k( 460) = ( 0.1328125 0.4740260 0.2569358), wk = 0.0015625 k( 461) = ( 0.1250000 0.4740260 0.2569358), wk = 0.0015625 k( 462) = ( 0.1171875 0.4740260 0.2569358), wk = 0.0015625 k( 463) = ( 0.1093750 0.4740260 0.2569358), wk = 0.0015625 k( 464) = ( 0.1015625 0.4740260 0.2569358), wk = 0.0015625 k( 465) = ( 0.0937500 0.4740260 0.2569358), wk = 0.0015625 k( 466) = ( 0.0859375 0.4740260 0.2569358), wk = 0.0015625 k( 467) = ( 0.0781250 0.4740260 0.2569358), wk = 0.0015625 k( 468) = ( 0.0703125 0.4740260 0.2569358), wk = 0.0015625 k( 469) = ( 0.0625000 0.4740260 0.2569358), wk = 0.0015625 k( 470) = ( 0.0546875 0.4740260 0.2569358), wk = 0.0015625 k( 471) = ( 0.0468750 0.4740260 0.2569358), wk = 0.0015625 k( 472) = ( 0.0390625 0.4740260 0.2569358), wk = 0.0015625 k( 473) = ( 0.0312500 0.4740260 0.2569358), wk = 0.0015625 k( 474) = ( 0.0234375 0.4740260 0.2569358), wk = 0.0015625 k( 475) = ( 0.0156250 0.4740260 0.2569358), wk = 0.0015625 k( 476) = ( 0.0078125 0.4740260 0.2569358), wk = 0.0015625 k( 477) = ( 0.0000000 0.4740260 0.2569358), wk = 0.0015625 k( 478) = ( 0.0000000 0.4740260 0.2569358), wk = 0.0015625 k( 479) = ( 0.0000000 0.4661255 0.2569358), wk = 0.0015625 k( 480) = ( 0.0000000 0.4582251 0.2569358), wk = 0.0015625 k( 481) = ( 0.0000000 0.4503247 0.2569358), wk = 0.0015625 k( 482) = ( 0.0000000 0.4424242 0.2569358), wk = 0.0015625 k( 483) = ( 0.0000000 0.4345238 0.2569358), wk = 0.0015625 k( 484) = ( 0.0000000 0.4266234 0.2569358), wk = 0.0015625 k( 485) = ( 0.0000000 0.4187229 0.2569358), wk = 0.0015625 k( 486) = ( 0.0000000 0.4108225 0.2569358), wk = 0.0015625 k( 487) = ( 0.0000000 0.4029221 0.2569358), wk = 0.0015625 k( 488) = ( 0.0000000 0.3950216 0.2569358), wk = 0.0015625 k( 489) = ( 0.0000000 0.3871212 0.2569358), wk = 0.0015625 k( 490) = ( 0.0000000 0.3792208 0.2569358), wk = 0.0015625 k( 491) = ( 0.0000000 0.3713203 0.2569358), wk = 0.0015625 k( 492) = ( 0.0000000 0.3634199 0.2569358), wk = 0.0015625 k( 493) = ( 0.0000000 0.3555195 0.2569358), wk = 0.0015625 k( 494) = ( 0.0000000 0.3476191 0.2569358), wk = 0.0015625 k( 495) = ( 0.0000000 0.3397186 0.2569358), wk = 0.0015625 k( 496) = ( 0.0000000 0.3318182 0.2569358), wk = 0.0015625 k( 497) = ( 0.0000000 0.3239178 0.2569358), wk = 0.0015625 k( 498) = ( 0.0000000 0.3160173 0.2569358), wk = 0.0015625 k( 499) = ( 0.0000000 0.3081169 0.2569358), wk = 0.0015625 k( 500) = ( 0.0000000 0.3002165 0.2569358), wk = 0.0015625 k( 501) = ( 0.0000000 0.2923160 0.2569358), wk = 0.0015625 k( 502) = ( 0.0000000 0.2844156 0.2569358), wk = 0.0015625 k( 503) = ( 0.0000000 0.2765152 0.2569358), wk = 0.0015625 k( 504) = ( 0.0000000 0.2686147 0.2569358), wk = 0.0015625 k( 505) = ( 0.0000000 0.2607143 0.2569358), wk = 0.0015625 k( 506) = ( 0.0000000 0.2528139 0.2569358), wk = 0.0015625 k( 507) = ( 0.0000000 0.2449134 0.2569358), wk = 0.0015625 k( 508) = ( 0.0000000 0.2370130 0.2569358), wk = 0.0015625 k( 509) = ( 0.0000000 0.2291126 0.2569358), wk = 0.0015625 k( 510) = ( 0.0000000 0.2212121 0.2569358), wk = 0.0015625 k( 511) = ( 0.0000000 0.2133117 0.2569358), wk = 0.0015625 k( 512) = ( 0.0000000 0.2054113 0.2569358), wk = 0.0015625 k( 513) = ( 0.0000000 0.1975108 0.2569358), wk = 0.0015625 k( 514) = ( 0.0000000 0.1896104 0.2569358), wk = 0.0015625 k( 515) = ( 0.0000000 0.1817100 0.2569358), wk = 0.0015625 k( 516) = ( 0.0000000 0.1738095 0.2569358), wk = 0.0015625 k( 517) = ( 0.0000000 0.1659091 0.2569358), wk = 0.0015625 k( 518) = ( 0.0000000 0.1580087 0.2569358), wk = 0.0015625 k( 519) = ( 0.0000000 0.1501082 0.2569358), wk = 0.0015625 k( 520) = ( 0.0000000 0.1422078 0.2569358), wk = 0.0015625 k( 521) = ( 0.0000000 0.1343074 0.2569358), wk = 0.0015625 k( 522) = ( 0.0000000 0.1264069 0.2569358), wk = 0.0015625 k( 523) = ( 0.0000000 0.1185065 0.2569358), wk = 0.0015625 k( 524) = ( 0.0000000 0.1106061 0.2569358), wk = 0.0015625 k( 525) = ( 0.0000000 0.1027056 0.2569358), wk = 0.0015625 k( 526) = ( 0.0000000 0.0948052 0.2569358), wk = 0.0015625 k( 527) = ( 0.0000000 0.0869048 0.2569358), wk = 0.0015625 k( 528) = ( 0.0000000 0.0790043 0.2569358), wk = 0.0015625 k( 529) = ( 0.0000000 0.0711039 0.2569358), wk = 0.0015625 k( 530) = ( 0.0000000 0.0632035 0.2569358), wk = 0.0015625 k( 531) = ( 0.0000000 0.0553030 0.2569358), wk = 0.0015625 k( 532) = ( 0.0000000 0.0474026 0.2569358), wk = 0.0015625 k( 533) = ( 0.0000000 0.0395022 0.2569358), wk = 0.0015625 k( 534) = ( 0.0000000 0.0316017 0.2569358), wk = 0.0015625 k( 535) = ( 0.0000000 0.0237013 0.2569358), wk = 0.0015625 k( 536) = ( 0.0000000 0.0158009 0.2569358), wk = 0.0015625 k( 537) = ( 0.0000000 0.0079004 0.2569358), wk = 0.0015625 k( 538) = ( 0.0000000 0.0000000 0.2569358), wk = 0.0015625 k( 539) = ( 0.0000000 0.4740260 -0.0000000), wk = 0.0015625 k( 540) = ( 0.0000000 0.4740260 0.0077859), wk = 0.0015625 k( 541) = ( 0.0000000 0.4740260 0.0155719), wk = 0.0015625 k( 542) = ( 0.0000000 0.4740260 0.0233578), wk = 0.0015625 k( 543) = ( 0.0000000 0.4740260 0.0311437), wk = 0.0015625 k( 544) = ( 0.0000000 0.4740260 0.0389297), wk = 0.0015625 k( 545) = ( 0.0000000 0.4740260 0.0467156), wk = 0.0015625 k( 546) = ( 0.0000000 0.4740260 0.0545015), wk = 0.0015625 k( 547) = ( 0.0000000 0.4740260 0.0622875), wk = 0.0015625 k( 548) = ( 0.0000000 0.4740260 0.0700734), wk = 0.0015625 k( 549) = ( 0.0000000 0.4740260 0.0778593), wk = 0.0015625 k( 550) = ( 0.0000000 0.4740260 0.0856453), wk = 0.0015625 k( 551) = ( 0.0000000 0.4740260 0.0934312), wk = 0.0015625 k( 552) = ( 0.0000000 0.4740260 0.1012171), wk = 0.0015625 k( 553) = ( 0.0000000 0.4740260 0.1090031), wk = 0.0015625 k( 554) = ( 0.0000000 0.4740260 0.1167890), wk = 0.0015625 k( 555) = ( 0.0000000 0.4740260 0.1245749), wk = 0.0015625 k( 556) = ( 0.0000000 0.4740260 0.1323609), wk = 0.0015625 k( 557) = ( 0.0000000 0.4740260 0.1401468), wk = 0.0015625 k( 558) = ( 0.0000000 0.4740260 0.1479327), wk = 0.0015625 k( 559) = ( 0.0000000 0.4740260 0.1557187), wk = 0.0015625 k( 560) = ( 0.0000000 0.4740260 0.1635046), wk = 0.0015625 k( 561) = ( 0.0000000 0.4740260 0.1712905), wk = 0.0015625 k( 562) = ( 0.0000000 0.4740260 0.1790765), wk = 0.0015625 k( 563) = ( 0.0000000 0.4740260 0.1868624), wk = 0.0015625 k( 564) = ( 0.0000000 0.4740260 0.1946483), wk = 0.0015625 k( 565) = ( 0.0000000 0.4740260 0.2024343), wk = 0.0015625 k( 566) = ( 0.0000000 0.4740260 0.2102202), wk = 0.0015625 k( 567) = ( 0.0000000 0.4740260 0.2180061), wk = 0.0015625 k( 568) = ( 0.0000000 0.4740260 0.2257921), wk = 0.0015625 k( 569) = ( 0.0000000 0.4740260 0.2335780), wk = 0.0015625 k( 570) = ( 0.0000000 0.4740260 0.2413640), wk = 0.0015625 k( 571) = ( 0.0000000 0.4740260 0.2491499), wk = 0.0015625 k( 572) = ( 0.0000000 0.4740260 0.2569358), wk = 0.0015625 k( 573) = ( 0.5000000 -0.0000000 0.2569358), wk = 0.0015625 k( 574) = ( 0.5000000 -0.0000000 0.2491499), wk = 0.0015625 k( 575) = ( 0.5000000 -0.0000000 0.2413640), wk = 0.0015625 k( 576) = ( 0.5000000 -0.0000000 0.2335780), wk = 0.0015625 k( 577) = ( 0.5000000 -0.0000000 0.2257921), wk = 0.0015625 k( 578) = ( 0.5000000 -0.0000000 0.2180061), wk = 0.0015625 k( 579) = ( 0.5000000 -0.0000000 0.2102202), wk = 0.0015625 k( 580) = ( 0.5000000 -0.0000000 0.2024343), wk = 0.0015625 k( 581) = ( 0.5000000 -0.0000000 0.1946483), wk = 0.0015625 k( 582) = ( 0.5000000 -0.0000000 0.1868624), wk = 0.0015625 k( 583) = ( 0.5000000 -0.0000000 0.1790765), wk = 0.0015625 k( 584) = ( 0.5000000 -0.0000000 0.1712905), wk = 0.0015625 k( 585) = ( 0.5000000 -0.0000000 0.1635046), wk = 0.0015625 k( 586) = ( 0.5000000 -0.0000000 0.1557187), wk = 0.0015625 k( 587) = ( 0.5000000 -0.0000000 0.1479327), wk = 0.0015625 k( 588) = ( 0.5000000 -0.0000000 0.1401468), wk = 0.0015625 k( 589) = ( 0.5000000 -0.0000000 0.1323609), wk = 0.0015625 k( 590) = ( 0.5000000 -0.0000000 0.1245749), wk = 0.0015625 k( 591) = ( 0.5000000 -0.0000000 0.1167890), wk = 0.0015625 k( 592) = ( 0.5000000 -0.0000000 0.1090031), wk = 0.0015625 k( 593) = ( 0.5000000 -0.0000000 0.1012171), wk = 0.0015625 k( 594) = ( 0.5000000 -0.0000000 0.0934312), wk = 0.0015625 k( 595) = ( 0.5000000 -0.0000000 0.0856453), wk = 0.0015625 k( 596) = ( 0.5000000 -0.0000000 0.0778593), wk = 0.0015625 k( 597) = ( 0.5000000 -0.0000000 0.0700734), wk = 0.0015625 k( 598) = ( 0.5000000 -0.0000000 0.0622875), wk = 0.0015625 k( 599) = ( 0.5000000 -0.0000000 0.0545015), wk = 0.0015625 k( 600) = ( 0.5000000 -0.0000000 0.0467156), wk = 0.0015625 k( 601) = ( 0.5000000 -0.0000000 0.0389297), wk = 0.0015625 k( 602) = ( 0.5000000 -0.0000000 0.0311437), wk = 0.0015625 k( 603) = ( 0.5000000 -0.0000000 0.0233578), wk = 0.0015625 k( 604) = ( 0.5000000 -0.0000000 0.0155719), wk = 0.0015625 k( 605) = ( 0.5000000 -0.0000000 0.0077859), wk = 0.0015625 k( 606) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015625 k( 607) = ( 0.5000000 0.4740260 -0.0000000), wk = 0.0015625 k( 608) = ( 0.5000000 0.4740260 0.0077859), wk = 0.0015625 k( 609) = ( 0.5000000 0.4740260 0.0155719), wk = 0.0015625 k( 610) = ( 0.5000000 0.4740260 0.0233578), wk = 0.0015625 k( 611) = ( 0.5000000 0.4740260 0.0311437), wk = 0.0015625 k( 612) = ( 0.5000000 0.4740260 0.0389297), wk = 0.0015625 k( 613) = ( 0.5000000 0.4740260 0.0467156), wk = 0.0015625 k( 614) = ( 0.5000000 0.4740260 0.0545015), wk = 0.0015625 k( 615) = ( 0.5000000 0.4740260 0.0622875), wk = 0.0015625 k( 616) = ( 0.5000000 0.4740260 0.0700734), wk = 0.0015625 k( 617) = ( 0.5000000 0.4740260 0.0778593), wk = 0.0015625 k( 618) = ( 0.5000000 0.4740260 0.0856453), wk = 0.0015625 k( 619) = ( 0.5000000 0.4740260 0.0934312), wk = 0.0015625 k( 620) = ( 0.5000000 0.4740260 0.1012171), wk = 0.0015625 k( 621) = ( 0.5000000 0.4740260 0.1090031), wk = 0.0015625 k( 622) = ( 0.5000000 0.4740260 0.1167890), wk = 0.0015625 k( 623) = ( 0.5000000 0.4740260 0.1245749), wk = 0.0015625 k( 624) = ( 0.5000000 0.4740260 0.1323609), wk = 0.0015625 k( 625) = ( 0.5000000 0.4740260 0.1401468), wk = 0.0015625 k( 626) = ( 0.5000000 0.4740260 0.1479327), wk = 0.0015625 k( 627) = ( 0.5000000 0.4740260 0.1557187), wk = 0.0015625 k( 628) = ( 0.5000000 0.4740260 0.1635046), wk = 0.0015625 k( 629) = ( 0.5000000 0.4740260 0.1712905), wk = 0.0015625 k( 630) = ( 0.5000000 0.4740260 0.1790765), wk = 0.0015625 k( 631) = ( 0.5000000 0.4740260 0.1868624), wk = 0.0015625 k( 632) = ( 0.5000000 0.4740260 0.1946483), wk = 0.0015625 k( 633) = ( 0.5000000 0.4740260 0.2024343), wk = 0.0015625 k( 634) = ( 0.5000000 0.4740260 0.2102202), wk = 0.0015625 k( 635) = ( 0.5000000 0.4740260 0.2180061), wk = 0.0015625 k( 636) = ( 0.5000000 0.4740260 0.2257921), wk = 0.0015625 k( 637) = ( 0.5000000 0.4740260 0.2335780), wk = 0.0015625 k( 638) = ( 0.5000000 0.4740260 0.2413640), wk = 0.0015625 k( 639) = ( 0.5000000 0.4740260 0.2491499), wk = 0.0015625 k( 640) = ( 0.5000000 0.4740260 0.2569358), wk = 0.0015625 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 2) = ( 0.0078125 0.0000000 0.0000000), wk = 0.0015625 k( 3) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0015625 k( 4) = ( 0.0234375 0.0000000 0.0000000), wk = 0.0015625 k( 5) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0015625 k( 6) = ( 0.0390625 -0.0000000 0.0000000), wk = 0.0015625 k( 7) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0015625 k( 8) = ( 0.0546875 0.0000000 0.0000000), wk = 0.0015625 k( 9) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0015625 k( 10) = ( 0.0703125 -0.0000000 0.0000000), wk = 0.0015625 k( 11) = ( 0.0781250 -0.0000000 0.0000000), wk = 0.0015625 k( 12) = ( 0.0859375 0.0000000 -0.0000000), wk = 0.0015625 k( 13) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0015625 k( 14) = ( 0.1015625 0.0000000 -0.0000000), wk = 0.0015625 k( 15) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0015625 k( 16) = ( 0.1171875 0.0000000 0.0000000), wk = 0.0015625 k( 17) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0015625 k( 18) = ( 0.1328125 -0.0000000 -0.0000000), wk = 0.0015625 k( 19) = ( 0.1406250 -0.0000000 0.0000000), wk = 0.0015625 k( 20) = ( 0.1484375 -0.0000000 0.0000000), wk = 0.0015625 k( 21) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0015625 k( 22) = ( 0.1640625 0.0000000 0.0000000), wk = 0.0015625 k( 23) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0015625 k( 24) = ( 0.1796875 0.0000000 0.0000000), wk = 0.0015625 k( 25) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0015625 k( 26) = ( 0.1953125 0.0000000 -0.0000000), wk = 0.0015625 k( 27) = ( 0.2031250 0.0000000 -0.0000000), wk = 0.0015625 k( 28) = ( 0.2109375 -0.0000000 0.0000000), wk = 0.0015625 k( 29) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0015625 k( 30) = ( 0.2265625 0.0000000 0.0000000), wk = 0.0015625 k( 31) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0015625 k( 32) = ( 0.2421875 0.0000000 0.0000000), wk = 0.0015625 k( 33) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0015625 k( 34) = ( 0.2578125 0.0000000 0.0000000), wk = 0.0015625 k( 35) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0015625 k( 36) = ( 0.2734375 -0.0000000 0.0000000), wk = 0.0015625 k( 37) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0015625 k( 38) = ( 0.2890625 -0.0000000 0.0000000), wk = 0.0015625 k( 39) = ( 0.2968750 -0.0000000 0.0000000), wk = 0.0015625 k( 40) = ( 0.3046875 -0.0000000 0.0000000), wk = 0.0015625 k( 41) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0015625 k( 42) = ( 0.3203125 0.0000000 0.0000000), wk = 0.0015625 k( 43) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0015625 k( 44) = ( 0.3359375 0.0000000 0.0000000), wk = 0.0015625 k( 45) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0015625 k( 46) = ( 0.3515625 0.0000000 0.0000000), wk = 0.0015625 k( 47) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0015625 k( 48) = ( 0.3671875 0.0000000 -0.0000000), wk = 0.0015625 k( 49) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0015625 k( 50) = ( 0.3828125 0.0000000 0.0000000), wk = 0.0015625 k( 51) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0015625 k( 52) = ( 0.3984375 0.0000000 0.0000000), wk = 0.0015625 k( 53) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0015625 k( 54) = ( 0.4140625 0.0000000 -0.0000000), wk = 0.0015625 k( 55) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0015625 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0015625 k( 57) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0015625 k( 58) = ( 0.4453125 0.0000000 0.0000000), wk = 0.0015625 k( 59) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0015625 k( 60) = ( 0.4609375 0.0000000 0.0000000), wk = 0.0015625 k( 61) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0015625 k( 62) = ( 0.4765625 0.0000000 0.0000000), wk = 0.0015625 k( 63) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0015625 k( 64) = ( 0.4921875 0.0000000 0.0000000), wk = 0.0015625 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015625 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015625 k( 67) = ( 0.5000000 0.0083333 -0.0000000), wk = 0.0015625 k( 68) = ( 0.5000000 0.0166667 0.0000000), wk = 0.0015625 k( 69) = ( 0.5000000 0.0250000 0.0000000), wk = 0.0015625 k( 70) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0015625 k( 71) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0015625 k( 72) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0015625 k( 73) = ( 0.5000000 0.0583333 0.0000000), wk = 0.0015625 k( 74) = ( 0.5000000 0.0666667 -0.0000000), wk = 0.0015625 k( 75) = ( 0.5000000 0.0750000 0.0000000), wk = 0.0015625 k( 76) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0015625 k( 77) = ( 0.5000000 0.0916667 -0.0000000), wk = 0.0015625 k( 78) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0015625 k( 79) = ( 0.5000000 0.1083333 0.0000000), wk = 0.0015625 k( 80) = ( 0.5000000 0.1166667 0.0000000), wk = 0.0015625 k( 81) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0015625 k( 82) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0015625 k( 83) = ( 0.5000000 0.1416667 0.0000000), wk = 0.0015625 k( 84) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0015625 k( 85) = ( 0.5000000 0.1583333 0.0000000), wk = 0.0015625 k( 86) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0015625 k( 87) = ( 0.5000000 0.1750000 0.0000000), wk = 0.0015625 k( 88) = ( 0.5000000 0.1833333 -0.0000000), wk = 0.0015625 k( 89) = ( 0.5000000 0.1916667 0.0000000), wk = 0.0015625 k( 90) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0015625 k( 91) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0015625 k( 92) = ( 0.5000000 0.2166667 0.0000000), wk = 0.0015625 k( 93) = ( 0.5000000 0.2250000 0.0000000), wk = 0.0015625 k( 94) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0015625 k( 95) = ( 0.5000000 0.2416667 0.0000000), wk = 0.0015625 k( 96) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0015625 k( 97) = ( 0.5000000 0.2583333 0.0000000), wk = 0.0015625 k( 98) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0015625 k( 99) = ( 0.5000000 0.2750000 0.0000000), wk = 0.0015625 k( 100) = ( 0.5000000 0.2833333 0.0000000), wk = 0.0015625 k( 101) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0015625 k( 102) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0015625 k( 103) = ( 0.5000000 0.3083333 0.0000000), wk = 0.0015625 k( 104) = ( 0.5000000 0.3166667 0.0000000), wk = 0.0015625 k( 105) = ( 0.5000000 0.3250000 0.0000000), wk = 0.0015625 k( 106) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0015625 k( 107) = ( 0.5000000 0.3416667 0.0000000), wk = 0.0015625 k( 108) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0015625 k( 109) = ( 0.5000000 0.3583333 0.0000000), wk = 0.0015625 k( 110) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0015625 k( 111) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0015625 k( 112) = ( 0.5000000 0.3833333 0.0000000), wk = 0.0015625 k( 113) = ( 0.5000000 0.3916667 0.0000000), wk = 0.0015625 k( 114) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0015625 k( 115) = ( 0.5000000 0.4083333 0.0000000), wk = 0.0015625 k( 116) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0015625 k( 117) = ( 0.5000000 0.4250000 0.0000000), wk = 0.0015625 k( 118) = ( 0.5000000 0.4333333 0.0000000), wk = 0.0015625 k( 119) = ( 0.5000000 0.4416667 0.0000000), wk = 0.0015625 k( 120) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0015625 k( 121) = ( 0.5000000 0.4583333 -0.0000000), wk = 0.0015625 k( 122) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0015625 k( 123) = ( 0.5000000 0.4750000 0.0000000), wk = 0.0015625 k( 124) = ( 0.5000000 0.4833333 0.0000000), wk = 0.0015625 k( 125) = ( 0.5000000 0.4916667 0.0000000), wk = 0.0015625 k( 126) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015625 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015625 k( 128) = ( 0.4921875 0.5000000 0.0000000), wk = 0.0015625 k( 129) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0015625 k( 130) = ( 0.4765625 0.5000000 0.0000000), wk = 0.0015625 k( 131) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0015625 k( 132) = ( 0.4609375 0.5000000 0.0000000), wk = 0.0015625 k( 133) = ( 0.4531250 0.5000000 0.0000000), wk = 0.0015625 k( 134) = ( 0.4453125 0.5000000 0.0000000), wk = 0.0015625 k( 135) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0015625 k( 136) = ( 0.4296875 0.5000000 0.0000000), wk = 0.0015625 k( 137) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0015625 k( 138) = ( 0.4140625 0.5000000 -0.0000000), wk = 0.0015625 k( 139) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0015625 k( 140) = ( 0.3984375 0.5000000 0.0000000), wk = 0.0015625 k( 141) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0015625 k( 142) = ( 0.3828125 0.5000000 0.0000000), wk = 0.0015625 k( 143) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0015625 k( 144) = ( 0.3671875 0.5000000 -0.0000000), wk = 0.0015625 k( 145) = ( 0.3593750 0.5000000 0.0000000), wk = 0.0015625 k( 146) = ( 0.3515625 0.5000000 0.0000000), wk = 0.0015625 k( 147) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0015625 k( 148) = ( 0.3359375 0.5000000 0.0000000), wk = 0.0015625 k( 149) = ( 0.3281250 0.5000000 0.0000000), wk = 0.0015625 k( 150) = ( 0.3203125 0.5000000 0.0000000), wk = 0.0015625 k( 151) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0015625 k( 152) = ( 0.3046875 0.5000000 0.0000000), wk = 0.0015625 k( 153) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0015625 k( 154) = ( 0.2890625 0.5000000 0.0000000), wk = 0.0015625 k( 155) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0015625 k( 156) = ( 0.2734375 0.5000000 0.0000000), wk = 0.0015625 k( 157) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0015625 k( 158) = ( 0.2578125 0.5000000 0.0000000), wk = 0.0015625 k( 159) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0015625 k( 160) = ( 0.2421875 0.5000000 -0.0000000), wk = 0.0015625 k( 161) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0015625 k( 162) = ( 0.2265625 0.5000000 0.0000000), wk = 0.0015625 k( 163) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0015625 k( 164) = ( 0.2109375 0.5000000 0.0000000), wk = 0.0015625 k( 165) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0015625 k( 166) = ( 0.1953125 0.5000000 0.0000000), wk = 0.0015625 k( 167) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0015625 k( 168) = ( 0.1796875 0.5000000 0.0000000), wk = 0.0015625 k( 169) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0015625 k( 170) = ( 0.1640625 0.5000000 0.0000000), wk = 0.0015625 k( 171) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0015625 k( 172) = ( 0.1484375 0.5000000 0.0000000), wk = 0.0015625 k( 173) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0015625 k( 174) = ( 0.1328125 0.5000000 0.0000000), wk = 0.0015625 k( 175) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0015625 k( 176) = ( 0.1171875 0.5000000 0.0000000), wk = 0.0015625 k( 177) = ( 0.1093750 0.5000000 0.0000000), wk = 0.0015625 k( 178) = ( 0.1015625 0.5000000 0.0000000), wk = 0.0015625 k( 179) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0015625 k( 180) = ( 0.0859375 0.5000000 0.0000000), wk = 0.0015625 k( 181) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0015625 k( 182) = ( 0.0703125 0.5000000 0.0000000), wk = 0.0015625 k( 183) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0015625 k( 184) = ( 0.0546875 0.5000000 0.0000000), wk = 0.0015625 k( 185) = ( 0.0468750 0.5000000 0.0000000), wk = 0.0015625 k( 186) = ( 0.0390625 0.5000000 0.0000000), wk = 0.0015625 k( 187) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0015625 k( 188) = ( 0.0234375 0.5000000 0.0000000), wk = 0.0015625 k( 189) = ( 0.0156250 0.5000000 0.0000000), wk = 0.0015625 k( 190) = ( 0.0078125 0.5000000 0.0000000), wk = 0.0015625 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0015625 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0015625 k( 193) = ( 0.0000000 0.4916667 0.0000000), wk = 0.0015625 k( 194) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0015625 k( 195) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0015625 k( 196) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0015625 k( 197) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0015625 k( 198) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0015625 k( 199) = ( 0.0000000 0.4416667 0.0000000), wk = 0.0015625 k( 200) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0015625 k( 201) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0015625 k( 202) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0015625 k( 203) = ( 0.0000000 0.4083333 0.0000000), wk = 0.0015625 k( 204) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0015625 k( 205) = ( 0.0000000 0.3916667 -0.0000000), wk = 0.0015625 k( 206) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0015625 k( 207) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0015625 k( 208) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0015625 k( 209) = ( 0.0000000 0.3583333 0.0000000), wk = 0.0015625 k( 210) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0015625 k( 211) = ( 0.0000000 0.3416667 0.0000000), wk = 0.0015625 k( 212) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0015625 k( 213) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0015625 k( 214) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0015625 k( 215) = ( 0.0000000 0.3083333 0.0000000), wk = 0.0015625 k( 216) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0015625 k( 217) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0015625 k( 218) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0015625 k( 219) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0015625 k( 220) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0015625 k( 221) = ( 0.0000000 0.2583333 0.0000000), wk = 0.0015625 k( 222) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0015625 k( 223) = ( 0.0000000 0.2416667 0.0000000), wk = 0.0015625 k( 224) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0015625 k( 225) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0015625 k( 226) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0015625 k( 227) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0015625 k( 228) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0015625 k( 229) = ( 0.0000000 0.1916667 0.0000000), wk = 0.0015625 k( 230) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0015625 k( 231) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0015625 k( 232) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0015625 k( 233) = ( 0.0000000 0.1583333 0.0000000), wk = 0.0015625 k( 234) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0015625 k( 235) = ( 0.0000000 0.1416667 0.0000000), wk = 0.0015625 k( 236) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0015625 k( 237) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0015625 k( 238) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0015625 k( 239) = ( 0.0000000 0.1083333 0.0000000), wk = 0.0015625 k( 240) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0015625 k( 241) = ( 0.0000000 0.0916667 0.0000000), wk = 0.0015625 k( 242) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0015625 k( 243) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0015625 k( 244) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0015625 k( 245) = ( 0.0000000 0.0583333 0.0000000), wk = 0.0015625 k( 246) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0015625 k( 247) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0015625 k( 248) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0015625 k( 249) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0015625 k( 250) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0015625 k( 251) = ( 0.0000000 0.0083333 0.0000000), wk = 0.0015625 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 254) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0015625 k( 255) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0015625 k( 256) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0015625 k( 257) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0015625 k( 258) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0015625 k( 259) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0015625 k( 260) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0015625 k( 261) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0015625 k( 262) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0015625 k( 263) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0015625 k( 264) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0015625 k( 265) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0015625 k( 266) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0015625 k( 267) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0015625 k( 268) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0015625 k( 269) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0015625 k( 270) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0015625 k( 271) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0015625 k( 272) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0015625 k( 273) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0015625 k( 274) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0015625 k( 275) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0015625 k( 276) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0015625 k( 277) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0015625 k( 278) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0015625 k( 279) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0015625 k( 280) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0015625 k( 281) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0015625 k( 282) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0015625 k( 283) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0015625 k( 284) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0015625 k( 285) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0015625 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015625 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015625 k( 288) = ( 0.0078125 0.0000000 0.5000000), wk = 0.0015625 k( 289) = ( 0.0156250 0.0000000 0.5000000), wk = 0.0015625 k( 290) = ( 0.0234375 0.0000000 0.5000000), wk = 0.0015625 k( 291) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0015625 k( 292) = ( 0.0390625 -0.0000000 0.5000000), wk = 0.0015625 k( 293) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0015625 k( 294) = ( 0.0546875 0.0000000 0.5000000), wk = 0.0015625 k( 295) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0015625 k( 296) = ( 0.0703125 -0.0000000 0.5000000), wk = 0.0015625 k( 297) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0015625 k( 298) = ( 0.0859375 0.0000000 0.5000000), wk = 0.0015625 k( 299) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0015625 k( 300) = ( 0.1015625 0.0000000 0.5000000), wk = 0.0015625 k( 301) = ( 0.1093750 0.0000000 0.5000000), wk = 0.0015625 k( 302) = ( 0.1171875 0.0000000 0.5000000), wk = 0.0015625 k( 303) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0015625 k( 304) = ( 0.1328125 -0.0000000 0.5000000), wk = 0.0015625 k( 305) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0015625 k( 306) = ( 0.1484375 -0.0000000 0.5000000), wk = 0.0015625 k( 307) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0015625 k( 308) = ( 0.1640625 0.0000000 0.5000000), wk = 0.0015625 k( 309) = ( 0.1718750 0.0000000 0.5000000), wk = 0.0015625 k( 310) = ( 0.1796875 0.0000000 0.5000000), wk = 0.0015625 k( 311) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0015625 k( 312) = ( 0.1953125 0.0000000 0.5000000), wk = 0.0015625 k( 313) = ( 0.2031250 0.0000000 0.5000000), wk = 0.0015625 k( 314) = ( 0.2109375 -0.0000000 0.5000000), wk = 0.0015625 k( 315) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0015625 k( 316) = ( 0.2265625 0.0000000 0.5000000), wk = 0.0015625 k( 317) = ( 0.2343750 0.0000000 0.5000000), wk = 0.0015625 k( 318) = ( 0.2421875 0.0000000 0.5000000), wk = 0.0015625 k( 319) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0015625 k( 320) = ( 0.2578125 0.0000000 0.5000000), wk = 0.0015625 k( 321) = ( 0.2656250 -0.0000000 0.5000000), wk = 0.0015625 k( 322) = ( 0.2734375 -0.0000000 0.5000000), wk = 0.0015625 k( 323) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0015625 k( 324) = ( 0.2890625 -0.0000000 0.5000000), wk = 0.0015625 k( 325) = ( 0.2968750 -0.0000000 0.5000000), wk = 0.0015625 k( 326) = ( 0.3046875 -0.0000000 0.5000000), wk = 0.0015625 k( 327) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0015625 k( 328) = ( 0.3203125 0.0000000 0.5000000), wk = 0.0015625 k( 329) = ( 0.3281250 0.0000000 0.5000000), wk = 0.0015625 k( 330) = ( 0.3359375 0.0000000 0.5000000), wk = 0.0015625 k( 331) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0015625 k( 332) = ( 0.3515625 0.0000000 0.5000000), wk = 0.0015625 k( 333) = ( 0.3593750 0.0000000 0.5000000), wk = 0.0015625 k( 334) = ( 0.3671875 0.0000000 0.5000000), wk = 0.0015625 k( 335) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0015625 k( 336) = ( 0.3828125 0.0000000 0.5000000), wk = 0.0015625 k( 337) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0015625 k( 338) = ( 0.3984375 0.0000000 0.5000000), wk = 0.0015625 k( 339) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0015625 k( 340) = ( 0.4140625 0.0000000 0.5000000), wk = 0.0015625 k( 341) = ( 0.4218750 -0.0000000 0.5000000), wk = 0.0015625 k( 342) = ( 0.4296875 -0.0000000 0.5000000), wk = 0.0015625 k( 343) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0015625 k( 344) = ( 0.4453125 0.0000000 0.5000000), wk = 0.0015625 k( 345) = ( 0.4531250 0.0000000 0.5000000), wk = 0.0015625 k( 346) = ( 0.4609375 0.0000000 0.5000000), wk = 0.0015625 k( 347) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0015625 k( 348) = ( 0.4765625 0.0000000 0.5000000), wk = 0.0015625 k( 349) = ( 0.4843750 0.0000000 0.5000000), wk = 0.0015625 k( 350) = ( 0.4921875 0.0000000 0.5000000), wk = 0.0015625 k( 351) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015625 k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015625 k( 353) = ( 0.5000000 0.0083333 0.5000000), wk = 0.0015625 k( 354) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0015625 k( 355) = ( 0.5000000 0.0250000 0.5000000), wk = 0.0015625 k( 356) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0015625 k( 357) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0015625 k( 358) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0015625 k( 359) = ( 0.5000000 0.0583333 0.5000000), wk = 0.0015625 k( 360) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0015625 k( 361) = ( 0.5000000 0.0750000 0.5000000), wk = 0.0015625 k( 362) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0015625 k( 363) = ( 0.5000000 0.0916667 0.5000000), wk = 0.0015625 k( 364) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0015625 k( 365) = ( 0.5000000 0.1083333 0.5000000), wk = 0.0015625 k( 366) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0015625 k( 367) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0015625 k( 368) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0015625 k( 369) = ( 0.5000000 0.1416667 0.5000000), wk = 0.0015625 k( 370) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0015625 k( 371) = ( 0.5000000 0.1583333 0.5000000), wk = 0.0015625 k( 372) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0015625 k( 373) = ( 0.5000000 0.1750000 0.5000000), wk = 0.0015625 k( 374) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0015625 k( 375) = ( 0.5000000 0.1916667 0.5000000), wk = 0.0015625 k( 376) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0015625 k( 377) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0015625 k( 378) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0015625 k( 379) = ( 0.5000000 0.2250000 0.5000000), wk = 0.0015625 k( 380) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0015625 k( 381) = ( 0.5000000 0.2416667 0.5000000), wk = 0.0015625 k( 382) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0015625 k( 383) = ( 0.5000000 0.2583333 0.5000000), wk = 0.0015625 k( 384) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0015625 k( 385) = ( 0.5000000 0.2750000 0.5000000), wk = 0.0015625 k( 386) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0015625 k( 387) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0015625 k( 388) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0015625 k( 389) = ( 0.5000000 0.3083333 0.5000000), wk = 0.0015625 k( 390) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0015625 k( 391) = ( 0.5000000 0.3250000 0.5000000), wk = 0.0015625 k( 392) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0015625 k( 393) = ( 0.5000000 0.3416667 0.5000000), wk = 0.0015625 k( 394) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0015625 k( 395) = ( 0.5000000 0.3583333 0.5000000), wk = 0.0015625 k( 396) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0015625 k( 397) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0015625 k( 398) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0015625 k( 399) = ( 0.5000000 0.3916667 0.5000000), wk = 0.0015625 k( 400) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0015625 k( 401) = ( 0.5000000 0.4083333 0.5000000), wk = 0.0015625 k( 402) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0015625 k( 403) = ( 0.5000000 0.4250000 0.5000000), wk = 0.0015625 k( 404) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0015625 k( 405) = ( 0.5000000 0.4416667 0.5000000), wk = 0.0015625 k( 406) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0015625 k( 407) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0015625 k( 408) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0015625 k( 409) = ( 0.5000000 0.4750000 0.5000000), wk = 0.0015625 k( 410) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0015625 k( 411) = ( 0.5000000 0.4916667 0.5000000), wk = 0.0015625 k( 412) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015625 k( 413) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015625 k( 414) = ( 0.4921875 0.5000000 0.5000000), wk = 0.0015625 k( 415) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0015625 k( 416) = ( 0.4765625 0.5000000 0.5000000), wk = 0.0015625 k( 417) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0015625 k( 418) = ( 0.4609375 0.5000000 0.5000000), wk = 0.0015625 k( 419) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0015625 k( 420) = ( 0.4453125 0.5000000 0.5000000), wk = 0.0015625 k( 421) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0015625 k( 422) = ( 0.4296875 0.5000000 0.5000000), wk = 0.0015625 k( 423) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0015625 k( 424) = ( 0.4140625 0.5000000 0.5000000), wk = 0.0015625 k( 425) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0015625 k( 426) = ( 0.3984375 0.5000000 0.5000000), wk = 0.0015625 k( 427) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0015625 k( 428) = ( 0.3828125 0.5000000 0.5000000), wk = 0.0015625 k( 429) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0015625 k( 430) = ( 0.3671875 0.5000000 0.5000000), wk = 0.0015625 k( 431) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0015625 k( 432) = ( 0.3515625 0.5000000 0.5000000), wk = 0.0015625 k( 433) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0015625 k( 434) = ( 0.3359375 0.5000000 0.5000000), wk = 0.0015625 k( 435) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0015625 k( 436) = ( 0.3203125 0.5000000 0.5000000), wk = 0.0015625 k( 437) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0015625 k( 438) = ( 0.3046875 0.5000000 0.5000000), wk = 0.0015625 k( 439) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0015625 k( 440) = ( 0.2890625 0.5000000 0.5000000), wk = 0.0015625 k( 441) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0015625 k( 442) = ( 0.2734375 0.5000000 0.5000000), wk = 0.0015625 k( 443) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0015625 k( 444) = ( 0.2578125 0.5000000 0.5000000), wk = 0.0015625 k( 445) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0015625 k( 446) = ( 0.2421875 0.5000000 0.5000000), wk = 0.0015625 k( 447) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0015625 k( 448) = ( 0.2265625 0.5000000 0.5000000), wk = 0.0015625 k( 449) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0015625 k( 450) = ( 0.2109375 0.5000000 0.5000000), wk = 0.0015625 k( 451) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0015625 k( 452) = ( 0.1953125 0.5000000 0.5000000), wk = 0.0015625 k( 453) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0015625 k( 454) = ( 0.1796875 0.5000000 0.5000000), wk = 0.0015625 k( 455) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0015625 k( 456) = ( 0.1640625 0.5000000 0.5000000), wk = 0.0015625 k( 457) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0015625 k( 458) = ( 0.1484375 0.5000000 0.5000000), wk = 0.0015625 k( 459) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0015625 k( 460) = ( 0.1328125 0.5000000 0.5000000), wk = 0.0015625 k( 461) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0015625 k( 462) = ( 0.1171875 0.5000000 0.5000000), wk = 0.0015625 k( 463) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0015625 k( 464) = ( 0.1015625 0.5000000 0.5000000), wk = 0.0015625 k( 465) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0015625 k( 466) = ( 0.0859375 0.5000000 0.5000000), wk = 0.0015625 k( 467) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0015625 k( 468) = ( 0.0703125 0.5000000 0.5000000), wk = 0.0015625 k( 469) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0015625 k( 470) = ( 0.0546875 0.5000000 0.5000000), wk = 0.0015625 k( 471) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0015625 k( 472) = ( 0.0390625 0.5000000 0.5000000), wk = 0.0015625 k( 473) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0015625 k( 474) = ( 0.0234375 0.5000000 0.5000000), wk = 0.0015625 k( 475) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0015625 k( 476) = ( 0.0078125 0.5000000 0.5000000), wk = 0.0015625 k( 477) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015625 k( 478) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015625 k( 479) = ( 0.0000000 0.4916667 0.5000000), wk = 0.0015625 k( 480) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0015625 k( 481) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0015625 k( 482) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0015625 k( 483) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0015625 k( 484) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0015625 k( 485) = ( 0.0000000 0.4416667 0.5000000), wk = 0.0015625 k( 486) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0015625 k( 487) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0015625 k( 488) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0015625 k( 489) = ( 0.0000000 0.4083333 0.5000000), wk = 0.0015625 k( 490) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0015625 k( 491) = ( 0.0000000 0.3916667 0.5000000), wk = 0.0015625 k( 492) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0015625 k( 493) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0015625 k( 494) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0015625 k( 495) = ( 0.0000000 0.3583333 0.5000000), wk = 0.0015625 k( 496) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0015625 k( 497) = ( 0.0000000 0.3416667 0.5000000), wk = 0.0015625 k( 498) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0015625 k( 499) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0015625 k( 500) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0015625 k( 501) = ( 0.0000000 0.3083333 0.5000000), wk = 0.0015625 k( 502) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0015625 k( 503) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0015625 k( 504) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0015625 k( 505) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0015625 k( 506) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0015625 k( 507) = ( 0.0000000 0.2583333 0.5000000), wk = 0.0015625 k( 508) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0015625 k( 509) = ( 0.0000000 0.2416667 0.5000000), wk = 0.0015625 k( 510) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0015625 k( 511) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0015625 k( 512) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0015625 k( 513) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0015625 k( 514) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0015625 k( 515) = ( 0.0000000 0.1916667 0.5000000), wk = 0.0015625 k( 516) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0015625 k( 517) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0015625 k( 518) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0015625 k( 519) = ( 0.0000000 0.1583333 0.5000000), wk = 0.0015625 k( 520) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0015625 k( 521) = ( 0.0000000 0.1416667 0.5000000), wk = 0.0015625 k( 522) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0015625 k( 523) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0015625 k( 524) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0015625 k( 525) = ( 0.0000000 0.1083333 0.5000000), wk = 0.0015625 k( 526) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0015625 k( 527) = ( 0.0000000 0.0916667 0.5000000), wk = 0.0015625 k( 528) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0015625 k( 529) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0015625 k( 530) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0015625 k( 531) = ( 0.0000000 0.0583333 0.5000000), wk = 0.0015625 k( 532) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0015625 k( 533) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0015625 k( 534) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0015625 k( 535) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0015625 k( 536) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0015625 k( 537) = ( 0.0000000 0.0083333 0.5000000), wk = 0.0015625 k( 538) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015625 k( 539) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0015625 k( 540) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0015625 k( 541) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0015625 k( 542) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0015625 k( 543) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0015625 k( 544) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0015625 k( 545) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0015625 k( 546) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0015625 k( 547) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0015625 k( 548) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0015625 k( 549) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0015625 k( 550) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0015625 k( 551) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0015625 k( 552) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0015625 k( 553) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0015625 k( 554) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0015625 k( 555) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0015625 k( 556) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0015625 k( 557) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0015625 k( 558) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0015625 k( 559) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0015625 k( 560) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0015625 k( 561) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0015625 k( 562) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0015625 k( 563) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0015625 k( 564) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0015625 k( 565) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0015625 k( 566) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0015625 k( 567) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0015625 k( 568) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0015625 k( 569) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0015625 k( 570) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0015625 k( 571) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0015625 k( 572) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015625 k( 573) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015625 k( 574) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0015625 k( 575) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0015625 k( 576) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0015625 k( 577) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0015625 k( 578) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0015625 k( 579) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0015625 k( 580) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0015625 k( 581) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0015625 k( 582) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0015625 k( 583) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0015625 k( 584) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0015625 k( 585) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0015625 k( 586) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0015625 k( 587) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0015625 k( 588) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0015625 k( 589) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0015625 k( 590) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0015625 k( 591) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0015625 k( 592) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0015625 k( 593) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0015625 k( 594) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0015625 k( 595) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0015625 k( 596) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0015625 k( 597) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0015625 k( 598) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0015625 k( 599) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0015625 k( 600) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0015625 k( 601) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0015625 k( 602) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0015625 k( 603) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0015625 k( 604) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0015625 k( 605) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0015625 k( 606) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015625 k( 607) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015625 k( 608) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0015625 k( 609) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0015625 k( 610) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0015625 k( 611) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0015625 k( 612) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0015625 k( 613) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0015625 k( 614) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0015625 k( 615) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0015625 k( 616) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0015625 k( 617) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0015625 k( 618) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0015625 k( 619) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0015625 k( 620) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0015625 k( 621) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0015625 k( 622) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0015625 k( 623) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0015625 k( 624) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0015625 k( 625) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0015625 k( 626) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0015625 k( 627) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0015625 k( 628) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0015625 k( 629) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0015625 k( 630) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0015625 k( 631) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0015625 k( 632) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0015625 k( 633) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0015625 k( 634) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0015625 k( 635) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0015625 k( 636) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0015625 k( 637) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0015625 k( 638) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0015625 k( 639) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0015625 k( 640) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015625 Dense grid: 13303 G-vectors FFT dimensions: ( 24, 25, 45) Smooth grid: 8349 G-vectors FFT dimensions: ( 20, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 84, 26) NL pseudopotentials 0.03 Mb ( 42, 48) Each V/rho on FFT grid 0.02 Mb ( 1200) Each G-vector array 0.00 Mb ( 414) G-vector shells 0.00 Mb ( 214) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 84, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./GaAs.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 3.9 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.3 secs Computing kpt #: 21 total cpu time spent up to now is 4.4 secs Computing kpt #: 22 total cpu time spent up to now is 4.5 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.3 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.7 secs Computing kpt #: 42 total cpu time spent up to now is 6.8 secs Computing kpt #: 43 total cpu time spent up to now is 6.9 secs Computing kpt #: 44 total cpu time spent up to now is 7.0 secs Computing kpt #: 45 total cpu time spent up to now is 7.2 secs Computing kpt #: 46 total cpu time spent up to now is 7.3 secs Computing kpt #: 47 total cpu time spent up to now is 7.4 secs Computing kpt #: 48 total cpu time spent up to now is 7.6 secs Computing kpt #: 49 total cpu time spent up to now is 7.7 secs Computing kpt #: 50 total cpu time spent up to now is 7.8 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 8.1 secs Computing kpt #: 53 total cpu time spent up to now is 8.2 secs Computing kpt #: 54 total cpu time spent up to now is 8.3 secs Computing kpt #: 55 total cpu time spent up to now is 8.5 secs Computing kpt #: 56 total cpu time spent up to now is 8.6 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 9.0 secs Computing kpt #: 59 total cpu time spent up to now is 9.1 secs Computing kpt #: 60 total cpu time spent up to now is 9.3 secs Computing kpt #: 61 total cpu time spent up to now is 9.5 secs Computing kpt #: 62 total cpu time spent up to now is 9.6 secs Computing kpt #: 63 total cpu time spent up to now is 9.8 secs Computing kpt #: 64 total cpu time spent up to now is 9.9 secs Computing kpt #: 65 total cpu time spent up to now is 10.0 secs Computing kpt #: 66 total cpu time spent up to now is 10.2 secs Computing kpt #: 67 total cpu time spent up to now is 10.3 secs Computing kpt #: 68 total cpu time spent up to now is 10.4 secs Computing kpt #: 69 total cpu time spent up to now is 10.5 secs Computing kpt #: 70 total cpu time spent up to now is 10.7 secs Computing kpt #: 71 total cpu time spent up to now is 10.8 secs Computing kpt #: 72 total cpu time spent up to now is 10.9 secs Computing kpt #: 73 total cpu time spent up to now is 11.0 secs Computing kpt #: 74 total cpu time spent up to now is 11.2 secs Computing kpt #: 75 total cpu time spent up to now is 11.4 secs Computing kpt #: 76 total cpu time spent up to now is 11.5 secs Computing kpt #: 77 total cpu time spent up to now is 11.7 secs Computing kpt #: 78 total cpu time spent up to now is 11.8 secs Computing kpt #: 79 total cpu time spent up to now is 12.0 secs Computing kpt #: 80 total cpu time spent up to now is 12.1 secs Computing kpt #: 81 total cpu time spent up to now is 12.2 secs Computing kpt #: 82 total cpu time spent up to now is 12.3 secs Computing kpt #: 83 total cpu time spent up to now is 12.4 secs Computing kpt #: 84 total cpu time spent up to now is 12.6 secs Computing kpt #: 85 total cpu time spent up to now is 12.7 secs Computing kpt #: 86 total cpu time spent up to now is 12.8 secs Computing kpt #: 87 total cpu time spent up to now is 12.9 secs Computing kpt #: 88 total cpu time spent up to now is 13.0 secs Computing kpt #: 89 total cpu time spent up to now is 13.1 secs Computing kpt #: 90 total cpu time spent up to now is 13.2 secs Computing kpt #: 91 total cpu time spent up to now is 13.4 secs Computing kpt #: 92 total cpu time spent up to now is 13.5 secs Computing kpt #: 93 total cpu time spent up to now is 13.6 secs Computing kpt #: 94 total cpu time spent up to now is 13.7 secs Computing kpt #: 95 total cpu time spent up to now is 13.8 secs Computing kpt #: 96 total cpu time spent up to now is 13.9 secs Computing kpt #: 97 total cpu time spent up to now is 14.0 secs Computing kpt #: 98 total cpu time spent up to now is 14.1 secs Computing kpt #: 99 total cpu time spent up to now is 14.2 secs Computing kpt #: 100 total cpu time spent up to now is 14.4 secs Computing kpt #: 101 total cpu time spent up to now is 14.5 secs Computing kpt #: 102 total cpu time spent up to now is 14.6 secs Computing kpt #: 103 total cpu time spent up to now is 14.7 secs Computing kpt #: 104 total cpu time spent up to now is 14.8 secs Computing kpt #: 105 total cpu time spent up to now is 14.9 secs Computing kpt #: 106 total cpu time spent up to now is 15.0 secs Computing kpt #: 107 total cpu time spent up to now is 15.2 secs Computing kpt #: 108 total cpu time spent up to now is 15.3 secs Computing kpt #: 109 total cpu time spent up to now is 15.4 secs Computing kpt #: 110 total cpu time spent up to now is 15.6 secs Computing kpt #: 111 total cpu time spent up to now is 15.7 secs Computing kpt #: 112 total cpu time spent up to now is 15.8 secs Computing kpt #: 113 total cpu time spent up to now is 15.9 secs Computing kpt #: 114 total cpu time spent up to now is 16.0 secs Computing kpt #: 115 total cpu time spent up to now is 16.1 secs Computing kpt #: 116 total cpu time spent up to now is 16.3 secs Computing kpt #: 117 total cpu time spent up to now is 16.4 secs Computing kpt #: 118 total cpu time spent up to now is 16.5 secs Computing kpt #: 119 total cpu time spent up to now is 16.6 secs Computing kpt #: 120 total cpu time spent up to now is 16.7 secs Computing kpt #: 121 total cpu time spent up to now is 16.8 secs Computing kpt #: 122 total cpu time spent up to now is 16.9 secs Computing kpt #: 123 total cpu time spent up to now is 17.0 secs Computing kpt #: 124 total cpu time spent up to now is 17.1 secs Computing kpt #: 125 total cpu time spent up to now is 17.2 secs Computing kpt #: 126 total cpu time spent up to now is 17.3 secs Computing kpt #: 127 total cpu time spent up to now is 17.4 secs Computing kpt #: 128 total cpu time spent up to now is 17.5 secs Computing kpt #: 129 total cpu time spent up to now is 17.7 secs Computing kpt #: 130 total cpu time spent up to now is 17.8 secs Computing kpt #: 131 total cpu time spent up to now is 17.9 secs Computing kpt #: 132 total cpu time spent up to now is 18.0 secs Computing kpt #: 133 total cpu time spent up to now is 18.1 secs Computing kpt #: 134 total cpu time spent up to now is 18.2 secs Computing kpt #: 135 total cpu time spent up to now is 18.3 secs Computing kpt #: 136 total cpu time spent up to now is 18.4 secs Computing kpt #: 137 total cpu time spent up to now is 18.5 secs Computing kpt #: 138 total cpu time spent up to now is 18.6 secs Computing kpt #: 139 total cpu time spent up to now is 18.7 secs Computing kpt #: 140 total cpu time spent up to now is 18.8 secs Computing kpt #: 141 total cpu time spent up to now is 18.9 secs Computing kpt #: 142 total cpu time spent up to now is 19.0 secs Computing kpt #: 143 total cpu time spent up to now is 19.1 secs Computing kpt #: 144 total cpu time spent up to now is 19.2 secs Computing kpt #: 145 total cpu time spent up to now is 19.4 secs Computing kpt #: 146 total cpu time spent up to now is 19.5 secs Computing kpt #: 147 total cpu time spent up to now is 19.6 secs Computing kpt #: 148 total cpu time spent up to now is 19.7 secs Computing kpt #: 149 total cpu time spent up to now is 19.8 secs Computing kpt #: 150 total cpu time spent up to now is 19.9 secs Computing kpt #: 151 total cpu time spent up to now is 20.0 secs Computing kpt #: 152 total cpu time spent up to now is 20.1 secs Computing kpt #: 153 total cpu time spent up to now is 20.2 secs Computing kpt #: 154 total cpu time spent up to now is 20.3 secs Computing kpt #: 155 total cpu time spent up to now is 20.4 secs Computing kpt #: 156 total cpu time spent up to now is 20.5 secs Computing kpt #: 157 total cpu time spent up to now is 20.6 secs Computing kpt #: 158 total cpu time spent up to now is 20.7 secs Computing kpt #: 159 total cpu time spent up to now is 20.8 secs Computing kpt #: 160 total cpu time spent up to now is 20.9 secs Computing kpt #: 161 total cpu time spent up to now is 21.0 secs Computing kpt #: 162 total cpu time spent up to now is 21.1 secs Computing kpt #: 163 total cpu time spent up to now is 21.2 secs Computing kpt #: 164 total cpu time spent up to now is 21.3 secs Computing kpt #: 165 total cpu time spent up to now is 21.4 secs Computing kpt #: 166 total cpu time spent up to now is 21.6 secs Computing kpt #: 167 total cpu time spent up to now is 21.7 secs Computing kpt #: 168 total cpu time spent up to now is 21.8 secs Computing kpt #: 169 total cpu time spent up to now is 21.9 secs Computing kpt #: 170 total cpu time spent up to now is 22.0 secs Computing kpt #: 171 total cpu time spent up to now is 22.1 secs Computing kpt #: 172 total cpu time spent up to now is 22.2 secs Computing kpt #: 173 total cpu time spent up to now is 22.3 secs Computing kpt #: 174 total cpu time spent up to now is 22.4 secs Computing kpt #: 175 total cpu time spent up to now is 22.5 secs Computing kpt #: 176 total cpu time spent up to now is 22.6 secs Computing kpt #: 177 total cpu time spent up to now is 22.8 secs Computing kpt #: 178 total cpu time spent up to now is 22.9 secs Computing kpt #: 179 total cpu time spent up to now is 23.0 secs Computing kpt #: 180 total cpu time spent up to now is 23.1 secs Computing kpt #: 181 total cpu time spent up to now is 23.2 secs Computing kpt #: 182 total cpu time spent up to now is 23.3 secs Computing kpt #: 183 total cpu time spent up to now is 23.4 secs Computing kpt #: 184 total cpu time spent up to now is 23.6 secs Computing kpt #: 185 total cpu time spent up to now is 23.7 secs Computing kpt #: 186 total cpu time spent up to now is 23.8 secs Computing kpt #: 187 total cpu time spent up to now is 24.0 secs Computing kpt #: 188 total cpu time spent up to now is 24.1 secs Computing kpt #: 189 total cpu time spent up to now is 24.3 secs Computing kpt #: 190 total cpu time spent up to now is 24.4 secs Computing kpt #: 191 total cpu time spent up to now is 24.6 secs Computing kpt #: 192 total cpu time spent up to now is 24.7 secs Computing kpt #: 193 total cpu time spent up to now is 24.9 secs Computing kpt #: 194 total cpu time spent up to now is 25.0 secs Computing kpt #: 195 total cpu time spent up to now is 25.1 secs Computing kpt #: 196 total cpu time spent up to now is 25.3 secs Computing kpt #: 197 total cpu time spent up to now is 25.4 secs Computing kpt #: 198 total cpu time spent up to now is 25.6 secs Computing kpt #: 199 total cpu time spent up to now is 25.7 secs Computing kpt #: 200 total cpu time spent up to now is 25.9 secs Computing kpt #: 201 total cpu time spent up to now is 26.0 secs Computing kpt #: 202 total cpu time spent up to now is 26.1 secs Computing kpt #: 203 total cpu time spent up to now is 26.3 secs Computing kpt #: 204 total cpu time spent up to now is 26.4 secs Computing kpt #: 205 total cpu time spent up to now is 26.5 secs Computing kpt #: 206 total cpu time spent up to now is 26.6 secs Computing kpt #: 207 total cpu time spent up to now is 26.7 secs Computing kpt #: 208 total cpu time spent up to now is 26.8 secs Computing kpt #: 209 total cpu time spent up to now is 27.0 secs Computing kpt #: 210 total cpu time spent up to now is 27.1 secs Computing kpt #: 211 total cpu time spent up to now is 27.2 secs Computing kpt #: 212 total cpu time spent up to now is 27.3 secs Computing kpt #: 213 total cpu time spent up to now is 27.4 secs Computing kpt #: 214 total cpu time spent up to now is 27.5 secs Computing kpt #: 215 total cpu time spent up to now is 27.7 secs Computing kpt #: 216 total cpu time spent up to now is 27.8 secs Computing kpt #: 217 total cpu time spent up to now is 27.9 secs Computing kpt #: 218 total cpu time spent up to now is 28.0 secs Computing kpt #: 219 total cpu time spent up to now is 28.1 secs Computing kpt #: 220 total cpu time spent up to now is 28.2 secs Computing kpt #: 221 total cpu time spent up to now is 28.4 secs Computing kpt #: 222 total cpu time spent up to now is 28.5 secs Computing kpt #: 223 total cpu time spent up to now is 28.6 secs Computing kpt #: 224 total cpu time spent up to now is 28.7 secs Computing kpt #: 225 total cpu time spent up to now is 28.8 secs Computing kpt #: 226 total cpu time spent up to now is 29.0 secs Computing kpt #: 227 total cpu time spent up to now is 29.2 secs Computing kpt #: 228 total cpu time spent up to now is 29.3 secs Computing kpt #: 229 total cpu time spent up to now is 29.5 secs Computing kpt #: 230 total cpu time spent up to now is 29.6 secs Computing kpt #: 231 total cpu time spent up to now is 29.8 secs Computing kpt #: 232 total cpu time spent up to now is 29.9 secs Computing kpt #: 233 total cpu time spent up to now is 30.0 secs Computing kpt #: 234 total cpu time spent up to now is 30.1 secs Computing kpt #: 235 total cpu time spent up to now is 30.2 secs Computing kpt #: 236 total cpu time spent up to now is 30.3 secs Computing kpt #: 237 total cpu time spent up to now is 30.4 secs Computing kpt #: 238 total cpu time spent up to now is 30.6 secs Computing kpt #: 239 total cpu time spent up to now is 30.7 secs Computing kpt #: 240 total cpu time spent up to now is 30.8 secs Computing kpt #: 241 total cpu time spent up to now is 30.9 secs Computing kpt #: 242 total cpu time spent up to now is 31.0 secs Computing kpt #: 243 total cpu time spent up to now is 31.1 secs Computing kpt #: 244 total cpu time spent up to now is 31.2 secs Computing kpt #: 245 total cpu time spent up to now is 31.3 secs Computing kpt #: 246 total cpu time spent up to now is 31.5 secs Computing kpt #: 247 total cpu time spent up to now is 31.6 secs Computing kpt #: 248 total cpu time spent up to now is 31.7 secs Computing kpt #: 249 total cpu time spent up to now is 31.8 secs Computing kpt #: 250 total cpu time spent up to now is 31.9 secs Computing kpt #: 251 total cpu time spent up to now is 32.1 secs Computing kpt #: 252 total cpu time spent up to now is 32.2 secs Computing kpt #: 253 total cpu time spent up to now is 32.3 secs Computing kpt #: 254 total cpu time spent up to now is 32.4 secs Computing kpt #: 255 total cpu time spent up to now is 32.5 secs Computing kpt #: 256 total cpu time spent up to now is 32.6 secs Computing kpt #: 257 total cpu time spent up to now is 32.8 secs Computing kpt #: 258 total cpu time spent up to now is 32.9 secs Computing kpt #: 259 total cpu time spent up to now is 33.0 secs Computing kpt #: 260 total cpu time spent up to now is 33.1 secs Computing kpt #: 261 total cpu time spent up to now is 33.2 secs Computing kpt #: 262 total cpu time spent up to now is 33.3 secs Computing kpt #: 263 total cpu time spent up to now is 33.5 secs Computing kpt #: 264 total cpu time spent up to now is 33.6 secs Computing kpt #: 265 total cpu time spent up to now is 33.7 secs Computing kpt #: 266 total cpu time spent up to now is 33.8 secs Computing kpt #: 267 total cpu time spent up to now is 34.0 secs Computing kpt #: 268 total cpu time spent up to now is 34.1 secs Computing kpt #: 269 total cpu time spent up to now is 34.3 secs Computing kpt #: 270 total cpu time spent up to now is 34.4 secs Computing kpt #: 271 total cpu time spent up to now is 34.5 secs Computing kpt #: 272 total cpu time spent up to now is 34.7 secs Computing kpt #: 273 total cpu time spent up to now is 34.8 secs Computing kpt #: 274 total cpu time spent up to now is 34.9 secs Computing kpt #: 275 total cpu time spent up to now is 35.1 secs Computing kpt #: 276 total cpu time spent up to now is 35.2 secs Computing kpt #: 277 total cpu time spent up to now is 35.4 secs Computing kpt #: 278 total cpu time spent up to now is 35.5 secs Computing kpt #: 279 total cpu time spent up to now is 35.6 secs Computing kpt #: 280 total cpu time spent up to now is 35.7 secs Computing kpt #: 281 total cpu time spent up to now is 35.9 secs Computing kpt #: 282 total cpu time spent up to now is 36.0 secs Computing kpt #: 283 total cpu time spent up to now is 36.1 secs Computing kpt #: 284 total cpu time spent up to now is 36.2 secs Computing kpt #: 285 total cpu time spent up to now is 36.3 secs Computing kpt #: 286 total cpu time spent up to now is 36.4 secs Computing kpt #: 287 total cpu time spent up to now is 36.6 secs Computing kpt #: 288 total cpu time spent up to now is 36.7 secs Computing kpt #: 289 total cpu time spent up to now is 36.8 secs Computing kpt #: 290 total cpu time spent up to now is 36.9 secs Computing kpt #: 291 total cpu time spent up to now is 37.0 secs Computing kpt #: 292 total cpu time spent up to now is 37.1 secs Computing kpt #: 293 total cpu time spent up to now is 37.2 secs Computing kpt #: 294 total cpu time spent up to now is 37.3 secs Computing kpt #: 295 total cpu time spent up to now is 37.5 secs Computing kpt #: 296 total cpu time spent up to now is 37.6 secs Computing kpt #: 297 total cpu time spent up to now is 37.7 secs Computing kpt #: 298 total cpu time spent up to now is 37.8 secs Computing kpt #: 299 total cpu time spent up to now is 38.0 secs Computing kpt #: 300 total cpu time spent up to now is 38.1 secs Computing kpt #: 301 total cpu time spent up to now is 38.3 secs Computing kpt #: 302 total cpu time spent up to now is 38.4 secs Computing kpt #: 303 total cpu time spent up to now is 38.6 secs Computing kpt #: 304 total cpu time spent up to now is 38.8 secs Computing kpt #: 305 total cpu time spent up to now is 38.9 secs Computing kpt #: 306 total cpu time spent up to now is 39.1 secs Computing kpt #: 307 total cpu time spent up to now is 39.3 secs Computing kpt #: 308 total cpu time spent up to now is 39.4 secs Computing kpt #: 309 total cpu time spent up to now is 39.6 secs Computing kpt #: 310 total cpu time spent up to now is 39.7 secs Computing kpt #: 311 total cpu time spent up to now is 39.9 secs Computing kpt #: 312 total cpu time spent up to now is 40.0 secs Computing kpt #: 313 total cpu time spent up to now is 40.2 secs Computing kpt #: 314 total cpu time spent up to now is 40.3 secs Computing kpt #: 315 total cpu time spent up to now is 40.5 secs Computing kpt #: 316 total cpu time spent up to now is 40.7 secs Computing kpt #: 317 total cpu time spent up to now is 40.8 secs Computing kpt #: 318 total cpu time spent up to now is 41.0 secs Computing kpt #: 319 total cpu time spent up to now is 41.1 secs Computing kpt #: 320 total cpu time spent up to now is 41.3 secs Computing kpt #: 321 total cpu time spent up to now is 41.5 secs Computing kpt #: 322 total cpu time spent up to now is 41.6 secs Computing kpt #: 323 total cpu time spent up to now is 41.8 secs Computing kpt #: 324 total cpu time spent up to now is 42.0 secs Computing kpt #: 325 total cpu time spent up to now is 42.1 secs Computing kpt #: 326 total cpu time spent up to now is 42.3 secs Computing kpt #: 327 total cpu time spent up to now is 42.5 secs Computing kpt #: 328 total cpu time spent up to now is 42.7 secs Computing kpt #: 329 total cpu time spent up to now is 42.8 secs Computing kpt #: 330 total cpu time spent up to now is 43.0 secs Computing kpt #: 331 total cpu time spent up to now is 43.1 secs Computing kpt #: 332 total cpu time spent up to now is 43.2 secs Computing kpt #: 333 total cpu time spent up to now is 43.4 secs Computing kpt #: 334 total cpu time spent up to now is 43.5 secs Computing kpt #: 335 total cpu time spent up to now is 43.6 secs Computing kpt #: 336 total cpu time spent up to now is 43.7 secs Computing kpt #: 337 total cpu time spent up to now is 43.8 secs Computing kpt #: 338 total cpu time spent up to now is 44.0 secs Computing kpt #: 339 total cpu time spent up to now is 44.1 secs Computing kpt #: 340 total cpu time spent up to now is 44.2 secs Computing kpt #: 341 total cpu time spent up to now is 44.3 secs Computing kpt #: 342 total cpu time spent up to now is 44.4 secs Computing kpt #: 343 total cpu time spent up to now is 44.5 secs Computing kpt #: 344 total cpu time spent up to now is 44.6 secs Computing kpt #: 345 total cpu time spent up to now is 44.8 secs Computing kpt #: 346 total cpu time spent up to now is 44.9 secs Computing kpt #: 347 total cpu time spent up to now is 45.0 secs Computing kpt #: 348 total cpu time spent up to now is 45.1 secs Computing kpt #: 349 total cpu time spent up to now is 45.2 secs Computing kpt #: 350 total cpu time spent up to now is 45.3 secs Computing kpt #: 351 total cpu time spent up to now is 45.5 secs Computing kpt #: 352 total cpu time spent up to now is 45.6 secs Computing kpt #: 353 total cpu time spent up to now is 45.7 secs Computing kpt #: 354 total cpu time spent up to now is 45.8 secs Computing kpt #: 355 total cpu time spent up to now is 45.9 secs Computing kpt #: 356 total cpu time spent up to now is 46.0 secs Computing kpt #: 357 total cpu time spent up to now is 46.1 secs Computing kpt #: 358 total cpu time spent up to now is 46.3 secs Computing kpt #: 359 total cpu time spent up to now is 46.4 secs Computing kpt #: 360 total cpu time spent up to now is 46.5 secs Computing kpt #: 361 total cpu time spent up to now is 46.6 secs Computing kpt #: 362 total cpu time spent up to now is 46.7 secs Computing kpt #: 363 total cpu time spent up to now is 46.8 secs Computing kpt #: 364 total cpu time spent up to now is 47.0 secs Computing kpt #: 365 total cpu time spent up to now is 47.1 secs Computing kpt #: 366 total cpu time spent up to now is 47.2 secs Computing kpt #: 367 total cpu time spent up to now is 47.3 secs Computing kpt #: 368 total cpu time spent up to now is 47.4 secs Computing kpt #: 369 total cpu time spent up to now is 47.5 secs Computing kpt #: 370 total cpu time spent up to now is 47.7 secs Computing kpt #: 371 total cpu time spent up to now is 47.8 secs Computing kpt #: 372 total cpu time spent up to now is 47.9 secs Computing kpt #: 373 total cpu time spent up to now is 48.0 secs Computing kpt #: 374 total cpu time spent up to now is 48.2 secs Computing kpt #: 375 total cpu time spent up to now is 48.4 secs Computing kpt #: 376 total cpu time spent up to now is 48.5 secs Computing kpt #: 377 total cpu time spent up to now is 48.7 secs Computing kpt #: 378 total cpu time spent up to now is 48.8 secs Computing kpt #: 379 total cpu time spent up to now is 48.9 secs Computing kpt #: 380 total cpu time spent up to now is 49.1 secs Computing kpt #: 381 total cpu time spent up to now is 49.2 secs Computing kpt #: 382 total cpu time spent up to now is 49.4 secs Computing kpt #: 383 total cpu time spent up to now is 49.5 secs Computing kpt #: 384 total cpu time spent up to now is 49.7 secs Computing kpt #: 385 total cpu time spent up to now is 49.8 secs Computing kpt #: 386 total cpu time spent up to now is 49.9 secs Computing kpt #: 387 total cpu time spent up to now is 50.0 secs Computing kpt #: 388 total cpu time spent up to now is 50.1 secs Computing kpt #: 389 total cpu time spent up to now is 50.2 secs Computing kpt #: 390 total cpu time spent up to now is 50.3 secs Computing kpt #: 391 total cpu time spent up to now is 50.5 secs Computing kpt #: 392 total cpu time spent up to now is 50.6 secs Computing kpt #: 393 total cpu time spent up to now is 50.7 secs Computing kpt #: 394 total cpu time spent up to now is 50.8 secs Computing kpt #: 395 total cpu time spent up to now is 50.9 secs Computing kpt #: 396 total cpu time spent up to now is 51.0 secs Computing kpt #: 397 total cpu time spent up to now is 51.1 secs Computing kpt #: 398 total cpu time spent up to now is 51.2 secs Computing kpt #: 399 total cpu time spent up to now is 51.4 secs Computing kpt #: 400 total cpu time spent up to now is 51.5 secs Computing kpt #: 401 total cpu time spent up to now is 51.6 secs Computing kpt #: 402 total cpu time spent up to now is 51.7 secs Computing kpt #: 403 total cpu time spent up to now is 51.8 secs Computing kpt #: 404 total cpu time spent up to now is 51.9 secs Computing kpt #: 405 total cpu time spent up to now is 52.0 secs Computing kpt #: 406 total cpu time spent up to now is 52.1 secs Computing kpt #: 407 total cpu time spent up to now is 52.2 secs Computing kpt #: 408 total cpu time spent up to now is 52.3 secs Computing kpt #: 409 total cpu time spent up to now is 52.4 secs Computing kpt #: 410 total cpu time spent up to now is 52.5 secs Computing kpt #: 411 total cpu time spent up to now is 52.6 secs Computing kpt #: 412 total cpu time spent up to now is 52.7 secs Computing kpt #: 413 total cpu time spent up to now is 52.8 secs Computing kpt #: 414 total cpu time spent up to now is 52.9 secs Computing kpt #: 415 total cpu time spent up to now is 53.0 secs Computing kpt #: 416 total cpu time spent up to now is 53.1 secs Computing kpt #: 417 total cpu time spent up to now is 53.2 secs Computing kpt #: 418 total cpu time spent up to now is 53.3 secs Computing kpt #: 419 total cpu time spent up to now is 53.4 secs Computing kpt #: 420 total cpu time spent up to now is 53.5 secs Computing kpt #: 421 total cpu time spent up to now is 53.6 secs Computing kpt #: 422 total cpu time spent up to now is 53.8 secs Computing kpt #: 423 total cpu time spent up to now is 53.9 secs Computing kpt #: 424 total cpu time spent up to now is 54.0 secs Computing kpt #: 425 total cpu time spent up to now is 54.1 secs Computing kpt #: 426 total cpu time spent up to now is 54.2 secs Computing kpt #: 427 total cpu time spent up to now is 54.3 secs Computing kpt #: 428 total cpu time spent up to now is 54.4 secs Computing kpt #: 429 total cpu time spent up to now is 54.5 secs Computing kpt #: 430 total cpu time spent up to now is 54.6 secs Computing kpt #: 431 total cpu time spent up to now is 54.7 secs Computing kpt #: 432 total cpu time spent up to now is 54.8 secs Computing kpt #: 433 total cpu time spent up to now is 55.0 secs Computing kpt #: 434 total cpu time spent up to now is 55.1 secs Computing kpt #: 435 total cpu time spent up to now is 55.2 secs Computing kpt #: 436 total cpu time spent up to now is 55.3 secs Computing kpt #: 437 total cpu time spent up to now is 55.4 secs Computing kpt #: 438 total cpu time spent up to now is 55.5 secs Computing kpt #: 439 total cpu time spent up to now is 55.6 secs Computing kpt #: 440 total cpu time spent up to now is 55.7 secs Computing kpt #: 441 total cpu time spent up to now is 55.8 secs Computing kpt #: 442 total cpu time spent up to now is 56.0 secs Computing kpt #: 443 total cpu time spent up to now is 56.1 secs Computing kpt #: 444 total cpu time spent up to now is 56.3 secs Computing kpt #: 445 total cpu time spent up to now is 56.4 secs Computing kpt #: 446 total cpu time spent up to now is 56.6 secs Computing kpt #: 447 total cpu time spent up to now is 56.7 secs Computing kpt #: 448 total cpu time spent up to now is 56.8 secs Computing kpt #: 449 total cpu time spent up to now is 56.9 secs Computing kpt #: 450 total cpu time spent up to now is 57.1 secs Computing kpt #: 451 total cpu time spent up to now is 57.2 secs Computing kpt #: 452 total cpu time spent up to now is 57.3 secs Computing kpt #: 453 total cpu time spent up to now is 57.4 secs Computing kpt #: 454 total cpu time spent up to now is 57.6 secs Computing kpt #: 455 total cpu time spent up to now is 57.7 secs Computing kpt #: 456 total cpu time spent up to now is 57.8 secs Computing kpt #: 457 total cpu time spent up to now is 57.9 secs Computing kpt #: 458 total cpu time spent up to now is 58.0 secs Computing kpt #: 459 total cpu time spent up to now is 58.2 secs Computing kpt #: 460 total cpu time spent up to now is 58.3 secs Computing kpt #: 461 total cpu time spent up to now is 58.4 secs Computing kpt #: 462 total cpu time spent up to now is 58.6 secs Computing kpt #: 463 total cpu time spent up to now is 58.7 secs Computing kpt #: 464 total cpu time spent up to now is 58.8 secs Computing kpt #: 465 total cpu time spent up to now is 58.9 secs Computing kpt #: 466 total cpu time spent up to now is 59.1 secs Computing kpt #: 467 total cpu time spent up to now is 59.2 secs Computing kpt #: 468 total cpu time spent up to now is 59.3 secs Computing kpt #: 469 total cpu time spent up to now is 59.4 secs Computing kpt #: 470 total cpu time spent up to now is 59.5 secs Computing kpt #: 471 total cpu time spent up to now is 59.6 secs Computing kpt #: 472 total cpu time spent up to now is 59.7 secs Computing kpt #: 473 total cpu time spent up to now is 59.9 secs Computing kpt #: 474 total cpu time spent up to now is 60.0 secs Computing kpt #: 475 total cpu time spent up to now is 60.1 secs Computing kpt #: 476 total cpu time spent up to now is 60.2 secs Computing kpt #: 477 total cpu time spent up to now is 60.3 secs Computing kpt #: 478 total cpu time spent up to now is 60.4 secs Computing kpt #: 479 total cpu time spent up to now is 60.5 secs Computing kpt #: 480 total cpu time spent up to now is 60.6 secs Computing kpt #: 481 total cpu time spent up to now is 60.7 secs Computing kpt #: 482 total cpu time spent up to now is 60.8 secs Computing kpt #: 483 total cpu time spent up to now is 60.9 secs Computing kpt #: 484 total cpu time spent up to now is 61.1 secs Computing kpt #: 485 total cpu time spent up to now is 61.2 secs Computing kpt #: 486 total cpu time spent up to now is 61.3 secs Computing kpt #: 487 total cpu time spent up to now is 61.4 secs Computing kpt #: 488 total cpu time spent up to now is 61.5 secs Computing kpt #: 489 total cpu time spent up to now is 61.6 secs Computing kpt #: 490 total cpu time spent up to now is 61.7 secs Computing kpt #: 491 total cpu time spent up to now is 61.9 secs Computing kpt #: 492 total cpu time spent up to now is 62.0 secs Computing kpt #: 493 total cpu time spent up to now is 62.1 secs Computing kpt #: 494 total cpu time spent up to now is 62.2 secs Computing kpt #: 495 total cpu time spent up to now is 62.3 secs Computing kpt #: 496 total cpu time spent up to now is 62.5 secs Computing kpt #: 497 total cpu time spent up to now is 62.6 secs Computing kpt #: 498 total cpu time spent up to now is 62.7 secs Computing kpt #: 499 total cpu time spent up to now is 62.8 secs Computing kpt #: 500 total cpu time spent up to now is 62.9 secs Computing kpt #: 501 total cpu time spent up to now is 63.0 secs Computing kpt #: 502 total cpu time spent up to now is 63.1 secs Computing kpt #: 503 total cpu time spent up to now is 63.3 secs Computing kpt #: 504 total cpu time spent up to now is 63.4 secs Computing kpt #: 505 total cpu time spent up to now is 63.5 secs Computing kpt #: 506 total cpu time spent up to now is 63.7 secs Computing kpt #: 507 total cpu time spent up to now is 63.8 secs Computing kpt #: 508 total cpu time spent up to now is 64.0 secs Computing kpt #: 509 total cpu time spent up to now is 64.1 secs Computing kpt #: 510 total cpu time spent up to now is 64.3 secs Computing kpt #: 511 total cpu time spent up to now is 64.4 secs Computing kpt #: 512 total cpu time spent up to now is 64.6 secs Computing kpt #: 513 total cpu time spent up to now is 64.7 secs Computing kpt #: 514 total cpu time spent up to now is 64.9 secs Computing kpt #: 515 total cpu time spent up to now is 65.0 secs Computing kpt #: 516 total cpu time spent up to now is 65.2 secs Computing kpt #: 517 total cpu time spent up to now is 65.3 secs Computing kpt #: 518 total cpu time spent up to now is 65.5 secs Computing kpt #: 519 total cpu time spent up to now is 65.6 secs Computing kpt #: 520 total cpu time spent up to now is 65.8 secs Computing kpt #: 521 total cpu time spent up to now is 65.9 secs Computing kpt #: 522 total cpu time spent up to now is 66.1 secs Computing kpt #: 523 total cpu time spent up to now is 66.2 secs Computing kpt #: 524 total cpu time spent up to now is 66.3 secs Computing kpt #: 525 total cpu time spent up to now is 66.4 secs Computing kpt #: 526 total cpu time spent up to now is 66.5 secs Computing kpt #: 527 total cpu time spent up to now is 66.7 secs Computing kpt #: 528 total cpu time spent up to now is 66.8 secs Computing kpt #: 529 total cpu time spent up to now is 66.9 secs Computing kpt #: 530 total cpu time spent up to now is 67.0 secs Computing kpt #: 531 total cpu time spent up to now is 67.1 secs Computing kpt #: 532 total cpu time spent up to now is 67.2 secs Computing kpt #: 533 total cpu time spent up to now is 67.3 secs Computing kpt #: 534 total cpu time spent up to now is 67.4 secs Computing kpt #: 535 total cpu time spent up to now is 67.5 secs Computing kpt #: 536 total cpu time spent up to now is 67.7 secs Computing kpt #: 537 total cpu time spent up to now is 67.8 secs Computing kpt #: 538 total cpu time spent up to now is 67.9 secs Computing kpt #: 539 total cpu time spent up to now is 68.0 secs Computing kpt #: 540 total cpu time spent up to now is 68.2 secs Computing kpt #: 541 total cpu time spent up to now is 68.3 secs Computing kpt #: 542 total cpu time spent up to now is 68.4 secs Computing kpt #: 543 total cpu time spent up to now is 68.6 secs Computing kpt #: 544 total cpu time spent up to now is 68.7 secs Computing kpt #: 545 total cpu time spent up to now is 68.8 secs Computing kpt #: 546 total cpu time spent up to now is 68.9 secs Computing kpt #: 547 total cpu time spent up to now is 69.0 secs Computing kpt #: 548 total cpu time spent up to now is 69.2 secs Computing kpt #: 549 total cpu time spent up to now is 69.3 secs Computing kpt #: 550 total cpu time spent up to now is 69.4 secs Computing kpt #: 551 total cpu time spent up to now is 69.5 secs Computing kpt #: 552 total cpu time spent up to now is 69.6 secs Computing kpt #: 553 total cpu time spent up to now is 69.7 secs Computing kpt #: 554 total cpu time spent up to now is 69.9 secs Computing kpt #: 555 total cpu time spent up to now is 70.0 secs Computing kpt #: 556 total cpu time spent up to now is 70.1 secs Computing kpt #: 557 total cpu time spent up to now is 70.2 secs Computing kpt #: 558 total cpu time spent up to now is 70.3 secs Computing kpt #: 559 total cpu time spent up to now is 70.4 secs Computing kpt #: 560 total cpu time spent up to now is 70.5 secs Computing kpt #: 561 total cpu time spent up to now is 70.6 secs Computing kpt #: 562 total cpu time spent up to now is 70.7 secs Computing kpt #: 563 total cpu time spent up to now is 70.9 secs Computing kpt #: 564 total cpu time spent up to now is 71.0 secs Computing kpt #: 565 total cpu time spent up to now is 71.1 secs Computing kpt #: 566 total cpu time spent up to now is 71.2 secs Computing kpt #: 567 total cpu time spent up to now is 71.4 secs Computing kpt #: 568 total cpu time spent up to now is 71.5 secs Computing kpt #: 569 total cpu time spent up to now is 71.6 secs Computing kpt #: 570 total cpu time spent up to now is 71.7 secs Computing kpt #: 571 total cpu time spent up to now is 71.8 secs Computing kpt #: 572 total cpu time spent up to now is 71.9 secs Computing kpt #: 573 total cpu time spent up to now is 72.0 secs Computing kpt #: 574 total cpu time spent up to now is 72.1 secs Computing kpt #: 575 total cpu time spent up to now is 72.2 secs Computing kpt #: 576 total cpu time spent up to now is 72.4 secs Computing kpt #: 577 total cpu time spent up to now is 72.5 secs Computing kpt #: 578 total cpu time spent up to now is 72.6 secs Computing kpt #: 579 total cpu time spent up to now is 72.7 secs Computing kpt #: 580 total cpu time spent up to now is 72.8 secs Computing kpt #: 581 total cpu time spent up to now is 72.9 secs Computing kpt #: 582 total cpu time spent up to now is 73.0 secs Computing kpt #: 583 total cpu time spent up to now is 73.1 secs Computing kpt #: 584 total cpu time spent up to now is 73.2 secs Computing kpt #: 585 total cpu time spent up to now is 73.3 secs Computing kpt #: 586 total cpu time spent up to now is 73.4 secs Computing kpt #: 587 total cpu time spent up to now is 73.5 secs Computing kpt #: 588 total cpu time spent up to now is 73.6 secs Computing kpt #: 589 total cpu time spent up to now is 73.8 secs Computing kpt #: 590 total cpu time spent up to now is 73.9 secs Computing kpt #: 591 total cpu time spent up to now is 74.0 secs Computing kpt #: 592 total cpu time spent up to now is 74.1 secs Computing kpt #: 593 total cpu time spent up to now is 74.2 secs Computing kpt #: 594 total cpu time spent up to now is 74.3 secs Computing kpt #: 595 total cpu time spent up to now is 74.4 secs Computing kpt #: 596 total cpu time spent up to now is 74.5 secs Computing kpt #: 597 total cpu time spent up to now is 74.6 secs Computing kpt #: 598 total cpu time spent up to now is 74.7 secs Computing kpt #: 599 total cpu time spent up to now is 74.8 secs Computing kpt #: 600 total cpu time spent up to now is 74.9 secs Computing kpt #: 601 total cpu time spent up to now is 75.1 secs Computing kpt #: 602 total cpu time spent up to now is 75.2 secs Computing kpt #: 603 total cpu time spent up to now is 75.3 secs Computing kpt #: 604 total cpu time spent up to now is 75.5 secs Computing kpt #: 605 total cpu time spent up to now is 75.6 secs Computing kpt #: 606 total cpu time spent up to now is 75.7 secs Computing kpt #: 607 total cpu time spent up to now is 75.9 secs Computing kpt #: 608 total cpu time spent up to now is 76.0 secs Computing kpt #: 609 total cpu time spent up to now is 76.1 secs Computing kpt #: 610 total cpu time spent up to now is 76.2 secs Computing kpt #: 611 total cpu time spent up to now is 76.3 secs Computing kpt #: 612 total cpu time spent up to now is 76.4 secs Computing kpt #: 613 total cpu time spent up to now is 76.5 secs Computing kpt #: 614 total cpu time spent up to now is 76.6 secs Computing kpt #: 615 total cpu time spent up to now is 76.7 secs Computing kpt #: 616 total cpu time spent up to now is 76.9 secs Computing kpt #: 617 total cpu time spent up to now is 77.0 secs Computing kpt #: 618 total cpu time spent up to now is 77.1 secs Computing kpt #: 619 total cpu time spent up to now is 77.2 secs Computing kpt #: 620 total cpu time spent up to now is 77.3 secs Computing kpt #: 621 total cpu time spent up to now is 77.4 secs Computing kpt #: 622 total cpu time spent up to now is 77.5 secs Computing kpt #: 623 total cpu time spent up to now is 77.6 secs Computing kpt #: 624 total cpu time spent up to now is 77.8 secs Computing kpt #: 625 total cpu time spent up to now is 78.0 secs Computing kpt #: 626 total cpu time spent up to now is 78.1 secs Computing kpt #: 627 total cpu time spent up to now is 78.2 secs Computing kpt #: 628 total cpu time spent up to now is 78.3 secs Computing kpt #: 629 total cpu time spent up to now is 78.4 secs Computing kpt #: 630 total cpu time spent up to now is 78.6 secs Computing kpt #: 631 total cpu time spent up to now is 78.7 secs Computing kpt #: 632 total cpu time spent up to now is 78.8 secs Computing kpt #: 633 total cpu time spent up to now is 78.9 secs Computing kpt #: 634 total cpu time spent up to now is 79.0 secs Computing kpt #: 635 total cpu time spent up to now is 79.1 secs Computing kpt #: 636 total cpu time spent up to now is 79.2 secs Computing kpt #: 637 total cpu time spent up to now is 79.3 secs Computing kpt #: 638 total cpu time spent up to now is 79.4 secs Computing kpt #: 639 total cpu time spent up to now is 79.5 secs Computing kpt #: 640 total cpu time spent up to now is 79.6 secs ethr = 5.56E-11, avg # of iterations = 18.6 total cpu time spent up to now is 79.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1033 PWs) bands (ev): -3.9939 -3.9939 -3.4371 -3.4371 -3.1657 -3.1657 -2.7267 -2.7267 -2.6493 -2.6493 -2.4589 -2.4589 3.7095 3.7095 4.8984 4.8984 16.7485 16.7485 18.9727 18.9727 20.4702 20.4702 21.0632 21.0632 23.0478 23.0478 k = 0.0078-0.0000-0.0000 ( 1033 PWs) bands (ev): -3.9927 -3.9927 -3.4370 -3.4369 -3.1654 -3.1653 -2.7267 -2.7265 -2.6495 -2.6493 -2.4592 -2.4590 3.7108 3.7109 4.8998 4.8999 16.7496 16.7497 18.9383 18.9426 20.4710 20.4839 21.0626 21.0663 23.0694 23.0739 k = 0.0156-0.0000-0.0000 ( 1029 PWs) bands (ev): -3.9893 -3.9893 -3.4361 -3.4360 -3.1643 -3.1641 -2.7266 -2.7263 -2.6499 -2.6496 -2.4597 -2.4594 3.7149 3.7150 4.9043 4.9044 16.7533 16.7534 18.8435 18.8510 20.4853 20.5091 21.0648 21.0719 23.1368 23.1455 k = 0.0234-0.0000-0.0000 ( 1025 PWs) bands (ev): -3.9835 -3.9835 -3.4347 -3.4345 -3.1624 -3.1621 -2.7264 -2.7260 -2.6507 -2.6501 -2.4606 -2.4601 3.7217 3.7218 4.9117 4.9119 16.7593 16.7595 18.6979 18.7071 20.5088 20.5410 21.0699 21.0798 23.2451 23.2568 k = 0.0312-0.0000-0.0000 ( 1025 PWs) bands (ev): -3.9755 -3.9755 -3.4328 -3.4325 -3.1598 -3.1594 -2.7262 -2.7255 -2.6516 -2.6509 -2.4619 -2.4612 3.7313 3.7314 4.9222 4.9223 16.7677 16.7679 18.5123 18.5220 20.5372 20.5750 21.0781 21.0899 23.3864 23.3999 k = 0.0391-0.0000-0.0000 ( 1025 PWs) bands (ev): -3.9653 -3.9653 -3.4303 -3.4300 -3.1564 -3.1559 -2.7258 -2.7250 -2.6529 -2.6520 -2.4636 -2.4627 3.7436 3.7438 4.9355 4.9358 16.7781 16.7784 18.2964 18.3058 20.5673 20.6088 21.0894 21.1024 23.5520 23.5654 k = 0.0469-0.0000-0.0000 ( 1025 PWs) bands (ev): -3.9528 -3.9528 -3.4273 -3.4270 -3.1522 -3.1515 -2.7253 -2.7244 -2.6543 -2.6532 -2.4655 -2.4644 3.7586 3.7588 4.9519 4.9522 16.7904 16.7908 18.0580 18.0668 20.5977 20.6413 21.1037 21.1173 23.7327 23.7431 k = 0.0547-0.0000-0.0000 ( 1024 PWs) bands (ev): -3.9383 -3.9382 -3.4239 -3.4235 -3.1471 -3.1462 -2.7247 -2.7237 -2.6559 -2.6547 -2.4678 -2.4665 3.7764 3.7767 4.9712 4.9715 16.8038 16.8043 17.8037 17.8116 20.6276 20.6725 21.1208 21.1345 23.9174 23.9194 k = 0.0625-0.0000-0.0000 ( 1024 PWs) bands (ev): -3.9216 -3.9216 -3.4201 -3.4196 -3.1411 -3.1400 -2.7240 -2.7229 -2.6576 -2.6562 -2.4704 -2.4689 3.7969 3.7973 4.9934 4.9938 16.8163 16.8171 17.5396 17.5465 20.6570 20.7028 21.1407 21.1542 24.0681 24.0849 k = 0.0703-0.0000-0.0000 ( 1024 PWs) bands (ev): -3.9029 -3.9029 -3.4159 -3.4154 -3.1341 -3.1328 -2.7232 -2.7220 -2.6594 -2.6579 -2.4733 -2.4717 3.8203 3.8206 5.0186 5.0191 16.8212 16.8225 17.2761 17.2817 20.6858 20.7323 21.1632 21.1762 24.1134 24.1290 k = 0.0781-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.8824 -3.8823 -3.4114 -3.4108 -3.1260 -3.1245 -2.7223 -2.7211 -2.6612 -2.6596 -2.4765 -2.4747 3.8464 3.8468 5.0467 5.0472 16.7807 16.7842 17.0531 17.0559 20.7140 20.7612 21.1882 21.2005 23.9652 23.9917 k = 0.0859-0.0000-0.0000 ( 1030 PWs) bands (ev): -3.8600 -3.8600 -3.4066 -3.4060 -3.1169 -3.1151 -2.7213 -2.7201 -2.6630 -2.6612 -2.4800 -2.4780 3.8753 3.8757 5.0777 5.0782 16.5951 16.6004 16.9724 16.9728 20.7414 20.7897 21.2154 21.2271 23.7420 23.7869 k = 0.0938-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.8359 -3.8359 -3.4015 -3.4009 -3.1066 -3.1045 -2.7202 -2.7190 -2.6644 -2.6625 -2.4837 -2.4815 3.9070 3.9074 5.1115 5.1121 16.3238 16.3289 16.9760 16.9762 20.7675 20.8173 21.2448 21.2557 23.5004 23.5532 k = 0.1016-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.8103 -3.8102 -3.3963 -3.3956 -3.0952 -3.0927 -2.7190 -2.7181 -2.6655 -2.6636 -2.4877 -2.4853 3.9415 3.9420 5.1482 5.1488 16.0328 16.0373 16.9990 16.9993 20.7913 20.8434 21.2761 21.2862 23.2500 23.3074 k = 0.1094-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.7833 -3.7832 -3.3910 -3.3903 -3.0825 -3.0796 -2.7179 -2.7172 -2.6659 -2.6640 -2.4919 -2.4893 3.9789 3.9794 5.1878 5.1884 15.7350 15.7391 17.0295 17.0299 20.8114 20.8665 21.3090 21.3183 22.9962 23.0577 k = 0.1172-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.7551 -3.7550 -3.3855 -3.3849 -3.0686 -3.0652 -2.7168 -2.7166 -2.6653 -2.6636 -2.4963 -2.4935 4.0191 4.0196 5.2301 5.2308 15.4341 15.4378 17.0644 17.0650 20.8252 20.8846 21.3431 21.3515 22.7438 22.8099 k = 0.1250-0.0000-0.0000 ( 1030 PWs) bands (ev): -3.7259 -3.7258 -3.3801 -3.3795 -3.0536 -3.0496 -2.7163 -2.7161 -2.6634 -2.6620 -2.5010 -2.4980 4.0621 4.0628 5.2752 5.2759 15.1316 15.1350 17.1028 17.1035 20.8287 20.8935 21.3780 21.3855 22.4987 22.5703 k = 0.1328-0.0000-0.0000 ( 1032 PWs) bands (ev): -3.6960 -3.6958 -3.3747 -3.3741 -3.0374 -3.0328 -2.7166 -2.7157 -2.6599 -2.6587 -2.5057 -2.5025 4.1081 4.1087 5.3231 5.3238 14.8286 14.8317 17.1442 17.1451 20.8155 20.8864 21.4127 21.4195 22.2692 22.3471 k = 0.1406-0.0000-0.0000 ( 1030 PWs) bands (ev): -3.6656 -3.6653 -3.3693 -3.3688 -3.0204 -3.0150 -2.7172 -2.7156 -2.6541 -2.6533 -2.5106 -2.5071 4.1569 4.1576 5.3737 5.3744 14.5255 14.5284 17.1883 17.1894 20.7758 20.8524 21.4465 21.4524 22.0675 22.1511 k = 0.1484-0.0000-0.0000 ( 1026 PWs) bands (ev): -3.6348 -3.6345 -3.3639 -3.3634 -3.0026 -2.9964 -2.7182 -2.7160 -2.6457 -2.6452 -2.5156 -2.5116 4.2087 4.2094 5.4269 5.4277 14.2230 14.2256 17.2351 17.2364 20.6982 20.7771 21.4779 21.4832 21.9092 21.9950 k = 0.1562-0.0000-0.0000 ( 1028 PWs) bands (ev): -3.6041 -3.6038 -3.3587 -3.3583 -2.9845 -2.9775 -2.7196 -2.7168 -2.6343 -2.6341 -2.5207 -2.5162 4.2634 4.2642 5.4828 5.4837 13.9213 13.9236 17.2843 17.2859 20.5740 20.6493 21.5054 21.5103 21.8060 21.8878 k = 0.1641-0.0000-0.0000 ( 1028 PWs) bands (ev): -3.5737 -3.5733 -3.3534 -3.3531 -2.9666 -2.9587 -2.7211 -2.7179 -2.6195 -2.6192 -2.5258 -2.5206 4.3211 4.3219 5.5413 5.5422 13.6207 13.6229 17.3360 17.3379 20.4037 20.4705 21.5279 21.5324 21.7558 21.8290 k = 0.1719-0.0000-0.0000 ( 1032 PWs) bands (ev): -3.5438 -3.5435 -3.3482 -3.3481 -2.9493 -2.9406 -2.7228 -2.7193 -2.6012 -2.5998 -2.5308 -2.5242 4.3817 4.3825 5.6024 5.6033 13.3215 13.3235 17.3899 17.3923 20.1959 20.2530 21.5443 21.5478 21.7441 21.8079 k = 0.1797-0.0000-0.0000 ( 1036 PWs) bands (ev): -3.5148 -3.5145 -3.3430 -3.3430 -2.9332 -2.9238 -2.7245 -2.7207 -2.5801 -2.5761 -2.5352 -2.5255 4.4453 4.4462 5.6660 5.6669 13.0238 13.0257 17.4461 17.4490 19.9620 20.0105 21.5509 21.5528 21.7563 21.8125 k = 0.1875-0.0000-0.0000 ( 1034 PWs) bands (ev): -3.4868 -3.4866 -3.3380 -3.3377 -2.9186 -2.9086 -2.7261 -2.7222 -2.5618 -2.5529 -2.5333 -2.5184 4.5119 4.5128 5.7321 5.7330 12.7280 12.7297 17.5043 17.5080 19.7111 19.7529 21.5386 21.5394 21.7844 21.8342 k = 0.1953-0.0000-0.0000 ( 1034 PWs) bands (ev): -3.4602 -3.4601 -3.3328 -3.3322 -2.9058 -2.8955 -2.7276 -2.7236 -2.5557 -2.5508 -2.5043 -2.4933 4.5816 4.5825 5.8006 5.8016 12.4341 12.4357 17.5645 17.5691 19.4492 19.4862 21.4953 21.4961 21.8250 21.8691 k = 0.2031-0.0000-0.0000 ( 1034 PWs) bands (ev): -3.4354 -3.4351 -3.3274 -3.3265 -2.8949 -2.8845 -2.7290 -2.7250 -2.5571 -2.5551 -2.4626 -2.4545 4.6542 4.6552 5.8715 5.8725 12.1422 12.1437 17.6265 17.6324 19.1805 19.2143 21.4109 21.4121 21.8759 21.9149 k = 0.2109-0.0000-0.0000 ( 1038 PWs) bands (ev): -3.4127 -3.4120 -3.3217 -3.3202 -2.8857 -2.8754 -2.7302 -2.7264 -2.5607 -2.5601 -2.4141 -2.4074 4.7300 4.7310 5.9447 5.9457 11.8525 11.8540 17.6896 17.6976 18.9076 18.9399 21.2821 21.2838 21.9351 21.9698 k = 0.2188-0.0000-0.0000 ( 1046 PWs) bands (ev): -3.3925 -3.3911 -3.3153 -3.3132 -2.8781 -2.8681 -2.7313 -2.7277 -2.5653 -2.5652 -2.3596 -2.3537 4.8088 4.8098 6.0202 6.0212 11.5651 11.5665 17.7531 17.7648 18.6323 18.6654 21.1141 21.1161 22.0009 22.0322 k = 0.2266-0.0000-0.0000 ( 1046 PWs) bands (ev): -3.3750 -3.3730 -3.3077 -3.3049 -2.8717 -2.8620 -2.7323 -2.7289 -2.5703 -2.5698 -2.2994 -2.2941 4.8907 4.8918 6.0979 6.0989 11.2802 11.2815 17.8137 17.8334 18.3562 18.3950 20.9169 20.9189 22.0720 22.1006 k = 0.2344-0.0000-0.0000 ( 1046 PWs) bands (ev): -3.3607 -3.3580 -3.2987 -3.2952 -2.8661 -2.8570 -2.7331 -2.7300 -2.5753 -2.5745 -2.2338 -2.2291 4.9757 4.9768 6.1777 6.1787 10.9977 10.9989 17.8537 17.9009 18.0826 18.1470 20.7002 20.7021 22.1477 22.1742 k = 0.2422-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.3494 -3.3462 -3.2882 -3.2842 -2.8613 -2.8528 -2.7339 -2.7310 -2.5802 -2.5792 -2.1634 -2.1591 5.0639 5.0650 6.2595 6.2606 10.7179 10.7190 17.7558 17.7940 17.9852 18.0391 20.4713 20.4732 22.2275 22.2523 k = 0.2500-0.0000-0.0000 ( 1056 PWs) bands (ev): -3.3406 -3.3373 -3.2767 -3.2726 -2.8569 -2.8490 -2.7346 -2.7321 -2.5849 -2.5838 -2.0884 -2.0845 5.1551 5.1563 6.3433 6.3444 10.4407 10.4418 17.5115 17.5207 18.0564 18.0799 20.2353 20.2372 22.3108 22.3343 k = 0.2578-0.0000-0.0000 ( 1060 PWs) bands (ev): -3.3337 -3.3304 -3.2646 -3.2606 -2.8526 -2.8454 -2.7353 -2.7331 -2.5894 -2.5883 -2.0089 -2.0054 5.2495 5.2507 6.4290 6.4301 10.1664 10.1674 17.2438 17.2456 18.1319 18.1469 19.9959 19.9977 22.3975 22.4199 k = 0.2656-0.0000-0.0000 ( 1060 PWs) bands (ev): -3.3282 -3.3250 -3.2528 -3.2490 -2.8484 -2.8418 -2.7360 -2.7341 -2.5936 -2.5925 -1.9254 -1.9222 5.3471 5.3483 6.5165 6.5176 9.8949 9.8959 16.9714 16.9724 18.2092 18.2205 19.7552 19.7570 22.4872 22.5088 k = 0.2734-0.0000-0.0000 ( 1056 PWs) bands (ev): -3.3236 -3.3205 -3.2416 -3.2380 -2.8439 -2.8381 -2.7366 -2.7351 -2.5976 -2.5965 -1.8380 -1.8351 5.4478 5.4490 6.6057 6.6068 9.6265 9.6274 16.6984 16.7008 18.2879 18.2970 19.5150 19.5168 22.5799 22.6007 k = 0.2812-0.0000-0.0000 ( 1056 PWs) bands (ev): -3.3197 -3.3167 -3.2315 -3.2281 -2.8393 -2.8343 -2.7372 -2.7360 -2.6013 -2.6002 -1.7470 -1.7442 5.5517 5.5529 6.6964 6.6975 9.3611 9.3620 16.4270 16.4300 18.3674 18.3753 19.2764 19.2781 22.6753 22.6955 k = 0.2891-0.0000-0.0000 ( 1056 PWs) bands (ev): -3.3162 -3.3134 -3.2224 -3.2193 -2.8345 -2.8302 -2.7378 -2.7369 -2.6048 -2.6038 -1.6524 -1.6499 5.6586 5.6599 6.7885 6.7896 9.0989 9.0997 16.1573 16.1607 18.4470 18.4540 19.0408 19.0427 22.7732 22.7930 k = 0.2969-0.0000-0.0000 ( 1058 PWs) bands (ev): -3.3132 -3.3104 -3.2145 -3.2117 -2.8295 -2.8260 -2.7383 -2.7377 -2.6079 -2.6070 -1.5546 -1.5523 5.7688 5.7700 6.8819 6.8830 8.8400 8.8409 15.8895 15.8930 18.5225 18.5293 18.8127 18.8151 22.8735 22.8930 k = 0.3047-0.0000-0.0000 ( 1058 PWs) bands (ev): -3.3104 -3.3078 -3.2077 -3.2052 -2.8243 -2.8215 -2.7387 -2.7384 -2.6107 -2.6099 -1.4536 -1.4515 5.8820 5.8832 6.9763 6.9774 8.5847 8.5855 15.6237 15.6273 18.5273 18.5311 18.6621 18.6623 22.9762 22.9955 k = 0.3125-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.3079 -3.3054 -3.2019 -3.1997 -2.8190 -2.8169 -2.7389 -2.7388 -2.6132 -2.6125 -1.3496 -1.3477 5.9982 5.9994 7.0716 7.0726 8.3332 8.3340 15.3601 15.3637 18.3306 18.3307 18.7151 18.7185 23.0810 23.1001 k = 0.3203-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.3056 -3.3032 -3.1973 -3.1953 -2.8138 -2.8124 -2.7390 -2.7389 -2.6153 -2.6149 -1.2428 -1.2410 6.1173 6.1185 7.1672 7.1682 8.0860 8.0868 15.0986 15.1022 18.1105 18.1110 18.7953 18.7990 23.1878 23.2068 k = 0.3281-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.3035 -3.3012 -3.1936 -3.1918 -2.8088 -2.8080 -2.7387 -2.7384 -2.6171 -2.6169 -1.1334 -1.1317 6.2390 6.2402 7.2623 7.2632 7.8443 7.8450 14.8395 14.8429 17.8922 17.8928 18.8788 18.8823 23.2965 23.3155 k = 0.3359-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.3015 -3.2992 -3.1908 -3.1892 -2.8042 -2.8040 -2.7379 -2.7375 -2.6186 -2.6186 -1.0214 -1.0198 6.3628 6.3639 7.3519 7.3524 7.6136 7.6140 14.5827 14.5861 17.6777 17.6784 18.9632 18.9665 23.4069 23.4259 k = 0.3438-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2997 -3.2975 -3.1887 -3.1873 -2.8006 -2.8002 -2.7365 -2.7359 -2.6199 -2.6198 -0.9071 -0.9057 6.4873 6.4881 7.3372 7.3390 7.4924 7.4940 14.3283 14.3316 17.4679 17.4687 19.0478 19.0509 23.5187 23.5379 k = 0.3516-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2981 -3.2960 -3.1874 -3.1862 -2.7977 -2.7970 -2.7343 -2.7338 -2.6210 -2.6206 -0.7907 -0.7893 6.6071 6.6074 7.1365 7.1386 7.5703 7.5718 14.0763 14.0796 17.2633 17.2641 19.1322 19.1351 23.6318 23.6512 k = 0.3594-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2966 -3.2946 -3.1866 -3.1855 -2.7957 -2.7947 -2.7313 -2.7309 -2.6218 -2.6211 -0.6724 -0.6711 6.6880 6.6893 6.9644 6.9679 7.6644 7.6658 13.8269 13.8301 17.0643 17.0650 19.2160 19.2186 23.7459 23.7656 k = 0.3672-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2952 -3.2933 -3.1863 -3.1854 -2.7943 -2.7931 -2.7277 -2.7275 -2.6222 -2.6213 -0.5524 -0.5512 6.5991 6.6004 6.9687 6.9724 7.7599 7.7612 13.5801 13.5832 16.8713 16.8720 19.2988 19.3013 23.8608 23.8808 k = 0.3750-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.2940 -3.2921 -3.1865 -3.1856 -2.7936 -2.7924 -2.7237 -2.7237 -2.6224 -2.6213 -0.4310 -0.4299 6.4062 6.4068 7.0852 7.0881 7.8549 7.8562 13.3360 13.3389 16.6846 16.6853 19.3803 19.3826 23.9760 23.9965 k = 0.3828-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2928 -3.2910 -3.1869 -3.1861 -2.7934 -2.7922 -2.7196 -2.7192 -2.6222 -2.6209 -0.3085 -0.3075 6.1997 6.2000 7.2227 7.2254 7.9489 7.9502 13.0945 13.0974 16.5050 16.5056 19.4601 19.4623 24.0911 24.1122 k = 0.3906-0.0000-0.0000 ( 1050 PWs) bands (ev): -3.2917 -3.2901 -3.1876 -3.1869 -2.7937 -2.7925 -2.7153 -2.7147 -2.6217 -2.6202 -0.1853 -0.1844 5.9936 5.9938 7.3681 7.3707 8.0411 8.0424 12.8557 12.8585 16.3325 16.3332 19.5379 19.5399 24.2057 24.2274 k = 0.3984-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.2908 -3.2892 -3.1885 -3.1879 -2.7942 -2.7931 -2.7112 -2.7103 -2.6210 -2.6194 -0.0619 -0.0610 5.7915 5.7916 7.5184 7.5209 8.1311 8.1324 12.6196 12.6224 16.1679 16.1685 19.6132 19.6151 24.3191 24.3415 k = 0.4062-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2899 -3.2884 -3.1894 -3.1889 -2.7950 -2.7939 -2.7071 -2.7060 -2.6199 -2.6182 0.0612 0.0620 5.5948 5.5948 7.6726 7.6751 8.2185 8.2198 12.3865 12.3892 16.0118 16.0124 19.6857 19.6874 24.4305 24.4537 k = 0.4141-0.0000-0.0000 ( 1052 PWs) bands (ev): -3.2892 -3.2878 -3.1906 -3.1901 -2.7959 -2.7949 -2.7032 -2.7020 -2.6187 -2.6169 0.1833 0.1841 5.4045 5.4046 7.8303 7.8329 8.3026 8.3040 12.1561 12.1587 15.8644 15.8650 19.7547 19.7563 24.5389 24.5629 k = 0.4219-0.0000-0.0000 ( 1052 PWs) bands (ev): -3.2885 -3.2872 -3.1917 -3.1913 -2.7969 -2.7960 -2.6997 -2.6984 -2.6173 -2.6155 0.3037 0.3044 5.2217 5.2218 7.9910 7.9938 8.3830 8.3845 11.9287 11.9312 15.7267 15.7272 19.8200 19.8214 24.6433 24.6678 k = 0.4297-0.0000-0.0000 ( 1054 PWs) bands (ev): -3.2879 -3.2867 -3.1928 -3.1924 -2.7979 -2.7971 -2.6966 -2.6952 -2.6157 -2.6140 0.4213 0.4219 5.0476 5.0476 8.1543 8.1573 8.4595 8.4612 11.7042 11.7067 15.5992 15.5996 19.8810 19.8823 24.7421 24.7668 k = 0.4375-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2873 -3.2862 -3.1939 -3.1935 -2.7988 -2.7981 -2.6937 -2.6923 -2.6141 -2.6124 0.5349 0.5354 4.8832 4.8833 8.3187 8.3221 8.5327 8.5347 11.4827 11.4851 15.4825 15.4830 19.9373 19.9384 24.8340 24.8579 k = 0.4453-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2868 -3.2858 -3.1949 -3.1946 -2.7997 -2.7991 -2.6912 -2.6899 -2.6124 -2.6109 0.6431 0.6436 4.7302 4.7303 8.4785 8.4826 8.6072 8.6099 11.2643 11.2667 15.3775 15.3779 19.9883 19.9892 24.9174 24.9396 k = 0.4531-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2864 -3.2856 -3.1958 -3.1955 -2.8005 -2.8000 -2.6891 -2.6879 -2.6108 -2.6094 0.7441 0.7445 4.5904 4.5904 8.6050 8.6085 8.7128 8.7148 11.0492 11.0514 15.2847 15.2850 20.0336 20.0344 24.9911 25.0107 k = 0.4609-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2860 -3.2853 -3.1966 -3.1964 -2.8012 -2.8008 -2.6874 -2.6863 -2.6093 -2.6081 0.8358 0.8362 4.4658 4.4658 8.6758 8.6772 8.8708 8.8710 10.8374 10.8396 15.2048 15.2051 20.0728 20.0735 25.0543 25.0706 k = 0.4688-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2857 -3.2852 -3.1972 -3.1971 -2.8019 -2.8015 -2.6859 -2.6851 -2.6080 -2.6070 0.9160 0.9163 4.3587 4.3587 8.7232 8.7239 9.0448 9.0457 10.6292 10.6314 15.1384 15.1387 20.1055 20.1060 25.1066 25.1194 k = 0.4766-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2855 -3.2851 -3.1978 -3.1976 -2.8023 -2.8021 -2.6848 -2.6841 -2.6069 -2.6061 0.9820 0.9823 4.2717 4.2717 8.7585 8.7589 9.2242 9.2255 10.4255 10.4276 15.0862 15.0864 20.1313 20.1317 25.1477 25.1571 k = 0.4844-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2853 -3.2850 -3.1982 -3.1981 -2.8027 -2.8025 -2.6840 -2.6835 -2.6060 -2.6055 1.0315 1.0317 4.2073 4.2073 8.7835 8.7837 9.4050 9.4065 10.2280 10.2299 15.0485 15.0487 20.1500 20.1502 25.1775 25.1837 k = 0.4922-0.0000-0.0000 ( 1048 PWs) bands (ev): -3.2852 -3.2850 -3.1984 -3.1983 -2.8028 -2.8028 -2.6834 -2.6832 -2.6054 -2.6052 1.0622 1.0623 4.1676 4.1676 8.7986 8.7986 9.5787 9.5801 10.0446 10.0462 15.0258 15.0259 20.1613 20.1614 25.1960 25.1991 k = 0.5000-0.0000-0.0000 ( 1042 PWs) bands (ev): -3.2850 -3.2850 -3.1984 -3.1984 -2.8028 -2.8028 -2.6832 -2.6832 -2.6051 -2.6051 1.0727 1.0727 4.1542 4.1542 8.8036 8.8036 9.6847 9.6847 9.9368 9.9368 15.0183 15.0183 20.1651 20.1651 25.2032 25.2032 k = 0.5000-0.0000-0.0000 ( 1042 PWs) bands (ev): -3.2850 -3.2850 -3.1984 -3.1984 -2.8028 -2.8028 -2.6832 -2.6832 -2.6051 -2.6051 1.0727 1.0727 4.1542 4.1542 8.8036 8.8036 9.6847 9.6847 9.9368 9.9368 15.0183 15.0183 20.1651 20.1651 25.2032 25.2032 k = 0.5000 0.0079-0.0000 ( 1042 PWs) bands (ev): -3.2848 -3.2848 -3.1984 -3.1984 -2.8029 -2.8029 -2.6831 -2.6831 -2.6052 -2.6052 1.0740 1.0740 4.1557 4.1557 8.8052 8.8052 9.6860 9.6860 9.9382 9.9382 15.0197 15.0197 20.1456 20.1456 25.2037 25.2037 k = 0.5000 0.0158-0.0000 ( 1050 PWs) bands (ev): -3.2843 -3.2843 -3.1983 -3.1983 -2.8032 -2.8032 -2.6830 -2.6830 -2.6054 -2.6054 1.0780 1.0780 4.1599 4.1599 8.8100 8.8100 9.6899 9.6899 9.9426 9.9426 15.0237 15.0237 20.0877 20.0877 25.2035 25.2035 k = 0.5000 0.0237-0.0000 ( 1052 PWs) bands (ev): -3.2834 -3.2834 -3.1981 -3.1981 -2.8037 -2.8037 -2.6828 -2.6828 -2.6058 -2.6058 1.0847 1.0847 4.1670 4.1670 8.8180 8.8180 9.6963 9.6963 9.9499 9.9499 15.0307 15.0307 19.9940 19.9940 25.1997 25.1997 k = 0.5000 0.0316-0.0000 ( 1052 PWs) bands (ev): -3.2820 -3.2820 -3.1978 -3.1978 -2.8043 -2.8043 -2.6825 -2.6825 -2.6062 -2.6062 1.0940 1.0940 4.1769 4.1769 8.8291 8.8291 9.7052 9.7052 9.9602 9.9602 15.0404 15.0404 19.8679 19.8679 25.1905 25.1905 k = 0.5000 0.0395-0.0000 ( 1052 PWs) bands (ev): -3.2803 -3.2803 -3.1974 -3.1974 -2.8051 -2.8051 -2.6822 -2.6822 -2.6067 -2.6067 1.1061 1.1061 4.1897 4.1897 8.8435 8.8435 9.7168 9.7168 9.9733 9.9733 15.0528 15.0528 19.7136 19.7136 25.1750 25.1750 k = 0.5000 0.0474-0.0000 ( 1056 PWs) bands (ev): -3.2783 -3.2783 -3.1969 -3.1969 -2.8060 -2.8060 -2.6819 -2.6819 -2.6072 -2.6072 1.1208 1.1208 4.2053 4.2053 8.8610 8.8610 9.7309 9.7309 9.9893 9.9893 15.0680 15.0680 19.5352 19.5352 25.1527 25.1527 k = 0.5000 0.0553-0.0000 ( 1056 PWs) bands (ev): -3.2761 -3.2761 -3.1964 -3.1964 -2.8071 -2.8071 -2.6816 -2.6816 -2.6076 -2.6076 1.1382 1.1382 4.2236 4.2236 8.8817 8.8817 9.7476 9.7476 10.0082 10.0082 15.0861 15.0861 19.3368 19.3368 25.1226 25.1226 k = 0.5000 0.0632-0.0000 ( 1060 PWs) bands (ev): -3.2735 -3.2735 -3.1958 -3.1958 -2.8083 -2.8083 -2.6814 -2.6814 -2.6080 -2.6080 1.1583 1.1583 4.2448 4.2448 8.9055 8.9055 9.7669 9.7669 10.0300 10.0300 15.1068 15.1068 19.1218 19.1218 25.0747 25.0747 k = 0.5000 0.0711-0.0000 ( 1060 PWs) bands (ev): -3.2707 -3.2707 -3.1952 -3.1952 -2.8096 -2.8096 -2.6813 -2.6813 -2.6083 -2.6083 1.1812 1.1812 4.2688 4.2688 8.9325 8.9325 9.7888 9.7888 10.0545 10.0545 15.1304 15.1304 18.8933 18.8933 24.8385 24.8385 k = 0.5000 0.0790-0.0000 ( 1056 PWs) bands (ev): -3.2676 -3.2676 -3.1944 -3.1944 -2.8109 -2.8109 -2.6813 -2.6813 -2.6083 -2.6083 1.2067 1.2067 4.2955 4.2955 8.9626 8.9626 9.8133 9.8133 10.0818 10.0818 15.1567 15.1567 18.6540 18.6540 24.5257 24.5257 k = 0.5000 0.0869-0.0000 ( 1056 PWs) bands (ev): -3.2643 -3.2643 -3.1937 -3.1937 -2.8123 -2.8123 -2.6817 -2.6817 -2.6080 -2.6080 1.2349 1.2349 4.3250 4.3250 8.9958 8.9958 9.8404 9.8404 10.1119 10.1119 15.1858 15.1858 18.4060 18.4060 24.2128 24.2128 k = 0.5000 0.0948-0.0000 ( 1056 PWs) bands (ev): -3.2610 -3.2610 -3.1929 -3.1929 -2.8138 -2.8138 -2.6823 -2.6823 -2.6072 -2.6072 1.2659 1.2659 4.3572 4.3572 9.0322 9.0322 9.8701 9.8701 10.1446 10.1446 15.2176 15.2176 18.1511 18.1511 23.9024 23.9024 k = 0.5000 0.1027-0.0000 ( 1056 PWs) bands (ev): -3.2576 -3.2576 -3.1921 -3.1921 -2.8152 -2.8152 -2.6833 -2.6833 -2.6061 -2.6061 1.2996 1.2996 4.3921 4.3921 9.0716 9.0716 9.9025 9.9025 10.1800 10.1800 15.2522 15.2522 17.8908 17.8908 23.5950 23.5950 k = 0.5000 0.1106-0.0000 ( 1056 PWs) bands (ev): -3.2541 -3.2541 -3.1913 -3.1913 -2.8165 -2.8165 -2.6846 -2.6846 -2.6044 -2.6044 1.3361 1.3361 4.4297 4.4297 9.1140 9.1140 9.9375 9.9375 10.2180 10.2180 15.2896 15.2896 17.6264 17.6264 23.2908 23.2908 k = 0.5000 0.1185-0.0000 ( 1052 PWs) bands (ev): -3.2507 -3.2507 -3.1905 -3.1905 -2.8178 -2.8178 -2.6863 -2.6863 -2.6022 -2.6022 1.3753 1.3753 4.4699 4.4699 9.1595 9.1595 9.9752 9.9752 10.2586 10.2586 15.3298 15.3298 17.3588 17.3588 22.9900 22.9900 k = 0.5000 0.1264-0.0000 ( 1052 PWs) bands (ev): -3.2472 -3.2472 -3.1898 -3.1898 -2.8191 -2.8191 -2.6883 -2.6883 -2.5994 -2.5994 1.4173 1.4173 4.5128 4.5128 9.2080 9.2080 10.0155 10.0155 10.3016 10.3016 15.3727 15.3727 17.0889 17.0889 22.6927 22.6927 k = 0.5000 0.1343-0.0000 ( 1056 PWs) bands (ev): -3.2439 -3.2439 -3.1891 -3.1891 -2.8202 -2.8202 -2.6908 -2.6908 -2.5962 -2.5962 1.4621 1.4621 4.5583 4.5583 9.2595 9.2595 10.0585 10.0585 10.3470 10.3470 15.4183 15.4183 16.8175 16.8175 22.3992 22.3992 k = 0.5000 0.1422-0.0000 ( 1060 PWs) bands (ev): -3.2407 -3.2407 -3.1887 -3.1887 -2.8212 -2.8212 -2.6935 -2.6935 -2.5923 -2.5923 1.5096 1.5096 4.6064 4.6064 9.3140 9.3140 10.1042 10.1042 10.3947 10.3947 15.4668 15.4668 16.5452 16.5452 22.1094 22.1094 k = 0.5000 0.1501-0.0000 ( 1060 PWs) bands (ev): -3.2376 -3.2376 -3.1883 -3.1883 -2.8220 -2.8220 -2.6965 -2.6965 -2.5879 -2.5879 1.5599 1.5599 4.6569 4.6569 9.3714 9.3714 10.1526 10.1526 10.4447 10.4447 15.5179 15.5179 16.2723 16.2723 21.8235 21.8235 k = 0.5000 0.1580-0.0000 ( 1060 PWs) bands (ev): -3.2347 -3.2347 -3.1882 -3.1882 -2.8226 -2.8226 -2.6996 -2.6996 -2.5830 -2.5830 1.6131 1.6131 4.7100 4.7100 9.4317 9.4317 10.2037 10.2037 10.4968 10.4968 15.5718 15.5718 15.9995 15.9995 21.5418 21.5418 k = 0.5000 0.1659-0.0000 ( 1056 PWs) bands (ev): -3.2319 -3.2319 -3.1882 -3.1882 -2.8230 -2.8230 -2.7027 -2.7027 -2.5777 -2.5777 1.6690 1.6690 4.7656 4.7656 9.4948 9.4948 10.2576 10.2576 10.5509 10.5509 15.6285 15.6285 15.7272 15.7272 21.2642 21.2642 k = 0.5000 0.1738-0.0000 ( 1050 PWs) bands (ev): -3.2292 -3.2292 -3.1886 -3.1886 -2.8233 -2.8233 -2.7059 -2.7059 -2.5718 -2.5718 1.7278 1.7278 4.8235 4.8235 9.5608 9.5608 10.3143 10.3143 10.6070 10.6070 15.4553 15.4553 15.6880 15.6880 20.9910 20.9910 k = 0.5000 0.1817-0.0000 ( 1050 PWs) bands (ev): -3.2268 -3.2268 -3.1892 -3.1892 -2.8234 -2.8234 -2.7091 -2.7091 -2.5656 -2.5656 1.7893 1.7893 4.8839 4.8839 9.6296 9.6296 10.3736 10.3736 10.6648 10.6648 15.1846 15.1846 15.7501 15.7501 20.7222 20.7222 k = 0.5000 0.1896-0.0000 ( 1048 PWs) bands (ev): -3.2246 -3.2246 -3.1902 -3.1902 -2.8235 -2.8235 -2.7122 -2.7122 -2.5589 -2.5589 1.8537 1.8537 4.9465 4.9465 9.7011 9.7011 10.4358 10.4358 10.7244 10.7244 14.9151 14.9151 15.8150 15.8150 20.4581 20.4581 k = 0.5000 0.1975-0.0000 ( 1044 PWs) bands (ev): -3.2225 -3.2225 -3.1915 -3.1915 -2.8234 -2.8234 -2.7151 -2.7151 -2.5519 -2.5519 1.9209 1.9209 5.0114 5.0114 9.7753 9.7753 10.5007 10.5007 10.7854 10.7854 14.6471 14.6471 15.8826 15.8826 20.1988 20.1988 k = 0.5000 0.2054-0.0000 ( 1048 PWs) bands (ev): -3.2207 -3.2207 -3.1932 -3.1932 -2.8234 -2.8234 -2.7178 -2.7178 -2.5445 -2.5445 1.9909 1.9909 5.0784 5.0784 9.8521 9.8521 10.5683 10.5683 10.8478 10.8478 14.3808 14.3808 15.9529 15.9529 19.9445 19.9445 k = 0.5000 0.2133-0.0000 ( 1040 PWs) bands (ev): -3.2189 -3.2189 -3.1952 -3.1952 -2.8234 -2.8234 -2.7200 -2.7200 -2.5368 -2.5368 2.0637 2.0637 5.1476 5.1476 9.9315 9.9315 10.6387 10.6387 10.9113 10.9113 14.1163 14.1163 16.0260 16.0260 19.6954 19.6954 k = 0.5000 0.2212-0.0000 ( 1044 PWs) bands (ev): -3.2174 -3.2174 -3.1976 -3.1976 -2.8236 -2.8236 -2.7220 -2.7220 -2.5287 -2.5287 2.1393 2.1393 5.2189 5.2189 10.0134 10.0134 10.7119 10.7119 10.9757 10.9757 13.8539 13.8539 16.1017 16.1017 19.4518 19.4518 k = 0.5000 0.2291-0.0000 ( 1040 PWs) bands (ev): -3.2160 -3.2160 -3.2004 -3.2004 -2.8240 -2.8240 -2.7234 -2.7234 -2.5204 -2.5204 2.2177 2.2177 5.2921 5.2921 10.0978 10.0978 10.7877 10.7877 11.0409 11.0409 13.5938 13.5938 16.1801 16.1801 19.2138 19.2138 k = 0.5000 0.2370-0.0000 ( 1044 PWs) bands (ev): -3.2149 -3.2149 -3.2035 -3.2035 -2.8247 -2.8247 -2.7244 -2.7244 -2.5119 -2.5119 2.2989 2.2989 5.3672 5.3672 10.1845 10.1845 10.8663 10.8663 11.1065 11.1065 13.3361 13.3361 16.2611 16.2611 18.9819 18.9819 k = 0.5000 0.2449-0.0000 ( 1044 PWs) bands (ev): -3.2138 -3.2138 -3.2069 -3.2069 -2.8256 -2.8256 -2.7248 -2.7248 -2.5031 -2.5031 2.3828 2.3828 5.4442 5.4442 10.2735 10.2735 10.9475 10.9475 11.1723 11.1723 13.0810 13.0810 16.3447 16.3447 18.7562 18.7562 k = 0.5000 0.2528-0.0000 ( 1044 PWs) bands (ev): -3.2132 -3.2132 -3.2104 -3.2104 -2.8268 -2.8268 -2.7246 -2.7246 -2.4941 -2.4941 2.4695 2.4695 5.5228 5.5228 10.3646 10.3646 11.0312 11.0312 11.2380 11.2380 12.8289 12.8289 16.4311 16.4311 18.5372 18.5372 k = 0.5000 0.2607-0.0000 ( 1044 PWs) bands (ev): -3.2150 -3.2150 -3.2117 -3.2117 -2.8284 -2.8284 -2.7240 -2.7240 -2.4849 -2.4849 2.5589 2.5589 5.6029 5.6029 10.4578 10.4578 11.1171 11.1171 11.3032 11.3032 12.5802 12.5802 16.5200 16.5200 18.3252 18.3252 k = 0.5000 0.2686-0.0000 ( 1048 PWs) bands (ev): -3.2190 -3.2190 -3.2113 -3.2113 -2.8302 -2.8302 -2.7229 -2.7229 -2.4756 -2.4756 2.6510 2.6510 5.6846 5.6846 10.5528 10.5528 11.2048 11.2048 11.3674 11.3674 12.3356 12.3356 16.6114 16.6114 18.1206 18.1206 k = 0.5000 0.2765-0.0000 ( 1048 PWs) bands (ev): -3.2234 -3.2234 -3.2108 -3.2108 -2.8323 -2.8323 -2.7214 -2.7214 -2.4662 -2.4662 2.7458 2.7458 5.7676 5.7676 10.6494 10.6494 11.2932 11.2932 11.4296 11.4296 12.0969 12.0969 16.7055 16.7055 17.9239 17.9239 k = 0.5000 0.2844-0.0000 ( 1052 PWs) bands (ev): -3.2279 -3.2279 -3.2104 -3.2104 -2.8347 -2.8347 -2.7196 -2.7196 -2.4567 -2.4567 2.8431 2.8431 5.8517 5.8517 10.7471 10.7471 11.3792 11.3792 11.4866 11.4866 11.8709 11.8709 16.8020 16.8020 17.7356 17.7356 k = 0.5000 0.2923-0.0000 ( 1054 PWs) bands (ev): -3.2326 -3.2326 -3.2101 -3.2101 -2.8372 -2.8372 -2.7174 -2.7174 -2.4472 -2.4472 2.9430 2.9430 5.9369 5.9369 10.8448 10.8448 11.4377 11.4377 11.5224 11.5224 11.6986 11.6986 16.9009 16.9009 17.5562 17.5562 k = 0.5000 0.3002-0.0000 ( 1054 PWs) bands (ev): -3.2373 -3.2373 -3.2099 -3.2099 -2.8398 -2.8398 -2.7150 -2.7150 -2.4377 -2.4377 3.0453 3.0453 6.0228 6.0228 10.9386 10.9386 11.3274 11.3274 11.5704 11.5704 11.6918 11.6918 17.0023 17.0023 17.3863 17.3863 k = 0.5000 0.3081-0.0000 ( 1050 PWs) bands (ev): -3.2420 -3.2420 -3.2098 -3.2098 -2.8424 -2.8424 -2.7124 -2.7124 -2.4283 -2.4283 3.1501 3.1501 6.1094 6.1094 10.9921 10.9921 11.1663 11.1663 11.6340 11.6340 11.7646 11.7646 17.1059 17.1059 17.2265 17.2265 k = 0.5000 0.3160-0.0000 ( 1050 PWs) bands (ev): -3.2467 -3.2467 -3.2097 -3.2097 -2.8452 -2.8452 -2.7097 -2.7097 -2.4189 -2.4189 3.2572 3.2572 6.1964 6.1964 10.8516 10.8516 11.1893 11.1893 11.6903 11.6903 11.8582 11.8582 17.0772 17.0772 17.2121 17.2121 k = 0.5000 0.3239-0.0000 ( 1050 PWs) bands (ev): -3.2515 -3.2515 -3.2098 -3.2098 -2.8479 -2.8479 -2.7070 -2.7070 -2.4097 -2.4097 3.3664 3.3664 6.2836 6.2836 10.6408 10.6408 11.2827 11.2827 11.7394 11.7394 11.9616 11.9616 16.9393 16.9393 17.3202 17.3202 k = 0.5000 0.3318-0.0000 ( 1054 PWs) bands (ev): -3.2562 -3.2562 -3.2099 -3.2099 -2.8506 -2.8506 -2.7042 -2.7042 -2.4007 -2.4007 3.4777 3.4777 6.3706 6.3706 10.4246 10.4246 11.3839 11.3839 11.7826 11.7826 12.0708 12.0708 16.8132 16.8132 17.4303 17.4303 k = 0.5000 0.3397-0.0000 ( 1054 PWs) bands (ev): -3.2608 -3.2608 -3.2101 -3.2101 -2.8533 -2.8533 -2.7015 -2.7015 -2.3918 -2.3918 3.5909 3.5909 6.4572 6.4572 10.2097 10.2097 11.4862 11.4862 11.8207 11.8207 12.1842 12.1842 16.6996 16.6996 17.5424 17.5424 k = 0.5000 0.3476-0.0000 ( 1054 PWs) bands (ev): -3.2653 -3.2653 -3.2103 -3.2103 -2.8559 -2.8559 -2.6988 -2.6988 -2.3833 -2.3833 3.7058 3.7058 6.5430 6.5430 9.9977 9.9977 11.5868 11.5868 11.8549 11.8549 12.3012 12.3012 16.5987 16.5987 17.6563 17.6563 k = 0.5000 0.3555-0.0000 ( 1054 PWs) bands (ev): -3.2696 -3.2696 -3.2106 -3.2106 -2.8583 -2.8583 -2.6962 -2.6962 -2.3750 -2.3750 3.8221 3.8221 6.6277 6.6277 9.7895 9.7895 11.6820 11.6820 11.8883 11.8883 12.4211 12.4211 16.5110 16.5110 17.7717 17.7717 k = 0.5000 0.3634-0.0000 ( 1050 PWs) bands (ev): -3.2737 -3.2737 -3.2109 -3.2109 -2.8606 -2.8606 -2.6937 -2.6937 -2.3671 -2.3671 3.9397 3.9397 6.7108 6.7108 9.5857 9.5857 11.7630 11.7630 11.9287 11.9287 12.5437 12.5437 16.4366 16.4366 17.7900 17.7900 k = 0.5000 0.3713-0.0000 ( 1050 PWs) bands (ev): -3.2777 -3.2777 -3.2113 -3.2113 -2.8628 -2.8628 -2.6913 -2.6913 -2.3596 -2.3596 4.0580 4.0580 6.7919 6.7919 9.3869 9.3869 11.8165 11.8165 11.9891 11.9891 12.6686 12.6686 16.3754 16.3754 17.5791 17.5791 k = 0.5000 0.3792-0.0000 ( 1054 PWs) bands (ev): -3.2815 -3.2815 -3.2117 -3.2117 -2.8650 -2.8650 -2.6890 -2.6890 -2.3525 -2.3525 4.1766 4.1766 6.8705 6.8705 9.1937 9.1937 11.8413 11.8413 12.0704 12.0704 12.7956 12.7956 16.3269 16.3269 17.3725 17.3725 k = 0.5000 0.3871-0.0000 ( 1054 PWs) bands (ev): -3.2850 -3.2850 -3.2121 -3.2121 -2.8669 -2.8669 -2.6869 -2.6869 -2.3458 -2.3458 4.2951 4.2951 6.9460 6.9460 9.0065 9.0065 11.8487 11.8487 12.1611 12.1611 12.9242 12.9242 16.2907 16.2907 17.1705 17.1705 k = 0.5000 0.3950-0.0000 ( 1054 PWs) bands (ev): -3.2883 -3.2883 -3.2125 -3.2125 -2.8687 -2.8687 -2.6849 -2.6849 -2.3396 -2.3396 4.4127 4.4127 7.0178 7.0178 8.8264 8.8264 11.8462 11.8462 12.2536 12.2536 13.0540 13.0540 16.2658 16.2658 16.9736 16.9736 k = 0.5000 0.4029-0.0000 ( 1054 PWs) bands (ev): -3.2913 -3.2913 -3.2128 -3.2128 -2.8703 -2.8703 -2.6831 -2.6831 -2.3339 -2.3339 4.5285 4.5285 7.0853 7.0853 8.6541 8.6541 11.8372 11.8372 12.3444 12.3444 13.1844 13.1844 16.2511 16.2511 16.7827 16.7827 k = 0.5000 0.4108-0.0000 ( 1054 PWs) bands (ev): -3.2941 -3.2941 -3.2132 -3.2132 -2.8717 -2.8717 -2.6815 -2.6815 -2.3287 -2.3287 4.6414 4.6414 7.1478 7.1478 8.4910 8.4910 11.8239 11.8239 12.4313 12.4313 13.3145 13.3145 16.2450 16.2450 16.5988 16.5988 k = 0.5000 0.4187-0.0000 ( 1046 PWs) bands (ev): -3.2965 -3.2965 -3.2134 -3.2134 -2.8729 -2.8729 -2.6800 -2.6800 -2.3241 -2.3241 4.7500 4.7500 7.2045 7.2045 8.3386 8.3386 11.8080 11.8080 12.5128 12.5128 13.4432 13.4432 16.2447 16.2447 16.4241 16.4241 k = 0.5000 0.4266-0.0000 ( 1046 PWs) bands (ev): -3.2986 -3.2986 -3.2137 -3.2137 -2.8740 -2.8740 -2.6787 -2.6787 -2.3200 -2.3200 4.8525 4.8525 7.2547 7.2547 8.1987 8.1987 11.7909 11.7909 12.5873 12.5873 13.5688 13.5688 16.2265 16.2265 16.2821 16.2821 k = 0.5000 0.4345-0.0000 ( 1042 PWs) bands (ev): -3.3004 -3.3004 -3.2140 -3.2140 -2.8749 -2.8749 -2.6777 -2.6777 -2.3165 -2.3165 4.9468 4.9468 7.2975 7.2975 8.0737 8.0737 11.7738 11.7738 12.6536 12.6536 13.6891 13.6891 16.0922 16.0922 16.2717 16.2717 k = 0.5000 0.4424-0.0000 ( 1042 PWs) bands (ev): -3.3019 -3.3019 -3.2142 -3.2142 -2.8757 -2.8757 -2.6768 -2.6768 -2.3137 -2.3137 5.0302 5.0302 7.3322 7.3322 7.9664 7.9664 11.7581 11.7581 12.7101 12.7101 13.8006 13.8006 15.9537 15.9537 16.2823 16.2823 k = 0.5000 0.4503-0.0000 ( 1046 PWs) bands (ev): -3.3032 -3.3032 -3.2144 -3.2144 -2.8763 -2.8763 -2.6761 -2.6761 -2.3115 -2.3115 5.0999 5.0999 7.3583 7.3583 7.8798 7.8798 11.7447 11.7447 12.7557 12.7557 13.8986 13.8986 15.8337 15.8337 16.2938 16.2938 k = 0.5000 0.4582-0.0000 ( 1038 PWs) bands (ev): -3.3039 -3.3039 -3.2145 -3.2145 -2.8767 -2.8767 -2.6756 -2.6756 -2.3098 -2.3098 5.1527 5.1527 7.3756 7.3756 7.8166 7.8166 11.7345 11.7345 12.7892 12.7892 13.9769 13.9769 15.7396 15.7396 16.3036 16.3036 k = 0.5000 0.4661-0.0000 ( 1044 PWs) bands (ev): -3.3045 -3.3045 -3.2146 -3.2146 -2.8770 -2.8770 -2.6753 -2.6753 -2.3089 -2.3089 5.1857 5.1857 7.3850 7.3850 7.7783 7.7783 11.7281 11.7281 12.8097 12.8097 14.0283 14.0283 15.6787 15.6787 16.3102 16.3102 k = 0.5000 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.3047 -3.3047 -3.2146 -3.2146 -2.8771 -2.8771 -2.6752 -2.6752 -2.3085 -2.3085 5.1969 5.1969 7.3880 7.3880 7.7656 7.7656 11.7259 11.7259 12.8166 12.8166 14.0462 14.0462 15.6575 15.6575 16.3124 16.3124 k = 0.5000 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.3047 -3.3047 -3.2146 -3.2146 -2.8771 -2.8771 -2.6752 -2.6752 -2.3085 -2.3085 5.1969 5.1969 7.3880 7.3880 7.7656 7.7656 11.7259 11.7259 12.8166 12.8166 14.0462 14.0462 15.6575 15.6575 16.3124 16.3124 k = 0.4922 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.3045 -3.3044 -3.2147 -3.2144 -2.8772 -2.8768 -2.6753 -2.6752 -2.3090 -2.3089 5.1825 5.1825 7.4010 7.4057 7.7584 7.7642 11.7283 11.7307 12.8118 12.8125 14.0384 14.0403 15.6302 15.6355 16.3449 16.3477 k = 0.4844 0.4740-0.0000 ( 1042 PWs) bands (ev): -3.3039 -3.3038 -3.2147 -3.2142 -2.8770 -2.8763 -2.6755 -2.6753 -2.3103 -2.3102 5.1404 5.1405 7.4413 7.4522 7.7433 7.7565 11.7375 11.7425 12.7981 12.7996 14.0170 14.0205 15.5668 15.5754 16.4336 16.4373 k = 0.4766 0.4740-0.0000 ( 1046 PWs) bands (ev): -3.3030 -3.3029 -3.2147 -3.2139 -2.8767 -2.8756 -2.6758 -2.6756 -2.3124 -2.3123 5.0741 5.0742 7.4973 7.5184 7.7266 7.7510 11.7529 11.7603 12.7758 12.7781 13.9828 13.9875 15.4880 15.4981 16.5581 16.5607 k = 0.4688 0.4740-0.0000 ( 1042 PWs) bands (ev): -3.3017 -3.3015 -3.2146 -3.2135 -2.8762 -2.8747 -2.6762 -2.6759 -2.3153 -2.3151 4.9880 4.9883 7.5400 7.5713 7.7374 7.7731 11.7730 11.7828 12.7451 12.7483 13.9367 13.9421 15.4075 15.4179 16.7024 16.7043 k = 0.4609 0.4740-0.0000 ( 1042 PWs) bands (ev): -3.3001 -3.2998 -3.2144 -3.2130 -2.8754 -2.8735 -2.6768 -2.6764 -2.3189 -2.3188 4.8867 4.8870 7.5369 7.5616 7.8212 7.8514 11.7961 11.8081 12.7064 12.7107 13.8801 13.8853 15.3330 15.3427 16.8068 16.8259 k = 0.4531 0.4740-0.0000 ( 1046 PWs) bands (ev): -3.2982 -3.2979 -3.2141 -3.2125 -2.8744 -2.8722 -2.6774 -2.6770 -2.3234 -2.3232 4.7740 4.7744 7.4970 7.5133 7.9513 7.9740 11.8199 11.8341 12.6603 12.6658 13.8142 13.8186 15.2689 15.2773 16.7567 16.7595 k = 0.4453 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2959 -3.2956 -3.2137 -3.2120 -2.8733 -2.8707 -2.6782 -2.6777 -2.3287 -2.3285 4.6531 4.6536 7.4380 7.4489 8.1028 8.1211 11.8421 11.8584 12.6073 12.6141 13.7406 13.7432 15.2185 15.2248 16.6820 16.6821 k = 0.4375 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2933 -3.2929 -3.2133 -3.2114 -2.8719 -2.8691 -2.6791 -2.6784 -2.3347 -2.3344 4.5266 4.5272 7.3672 7.3748 8.2679 8.2836 11.8603 11.8785 12.5480 12.5563 13.6605 13.6608 15.1839 15.1878 16.5970 16.5981 k = 0.4297 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2904 -3.2899 -3.2128 -3.2107 -2.8703 -2.8672 -2.6800 -2.6793 -2.3414 -2.3411 4.3962 4.3969 7.2882 7.2934 8.4431 8.4573 11.8723 11.8921 12.4830 12.4930 13.5726 13.5752 15.1672 15.1684 16.5056 16.5074 k = 0.4219 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2873 -3.2866 -3.2122 -3.2100 -2.8684 -2.8651 -2.6811 -2.6803 -2.3489 -2.3484 4.2635 4.2643 7.2027 7.2062 8.6265 8.6397 11.8760 11.8973 12.4130 12.4248 13.4800 13.4859 15.1683 15.1697 16.4088 16.4111 k = 0.4141 0.4740-0.0000 ( 1058 PWs) bands (ev): -3.2838 -3.2831 -3.2116 -3.2092 -2.8664 -2.8628 -2.6822 -2.6814 -2.3570 -2.3565 4.1296 4.1304 7.1122 7.1143 8.8166 8.8291 11.8699 11.8925 12.3385 12.3524 13.3840 13.3934 15.1885 15.1924 16.3077 16.3104 k = 0.4062 0.4740-0.0000 ( 1058 PWs) bands (ev): -3.2802 -3.2793 -3.2109 -3.2084 -2.8642 -2.8604 -2.6834 -2.6825 -2.3657 -2.3651 3.9951 3.9961 7.0178 7.0188 9.0122 9.0243 11.8532 11.8769 12.2601 12.2763 13.2856 13.2987 15.2297 15.2357 16.2032 16.2063 k = 0.3984 0.4740-0.0000 ( 1058 PWs) bands (ev): -3.2764 -3.2752 -3.2101 -3.2076 -2.8618 -2.8578 -2.6847 -2.6837 -2.3750 -2.3743 3.8609 3.8619 6.9202 6.9204 9.2123 9.2244 11.8257 11.8502 12.1786 12.1970 13.1858 13.2024 15.2917 15.2996 16.0962 16.0994 k = 0.3906 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2724 -3.2710 -3.2091 -3.2067 -2.8591 -2.8550 -2.6860 -2.6850 -2.3849 -2.3841 3.7274 3.7284 6.8197 6.8202 9.4162 9.4283 11.7877 11.8129 12.0943 12.1150 13.0854 13.1053 15.3740 15.3834 15.9872 15.9906 k = 0.3828 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2683 -3.2667 -3.2080 -3.2057 -2.8563 -2.8521 -2.6873 -2.6863 -2.3953 -2.3944 3.5949 3.5960 6.7174 6.7185 9.6230 9.6352 11.7403 11.7657 12.0079 12.0305 12.9851 13.0082 15.4755 15.4860 15.8771 15.8804 k = 0.3750 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2641 -3.2622 -3.2069 -3.2048 -2.8533 -2.8491 -2.6887 -2.6876 -2.4062 -2.4051 3.4638 3.4650 6.6141 6.6156 9.8317 9.8442 11.6847 11.7100 11.9199 11.9441 12.8859 12.9119 15.5941 15.6060 15.7668 15.7695 k = 0.3672 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2600 -3.2577 -3.2055 -3.2037 -2.8502 -2.8460 -2.6901 -2.6890 -2.4175 -2.4162 3.3343 3.3356 6.5101 6.5120 10.0410 10.0540 11.6225 11.6470 11.8307 11.8560 12.7888 12.8175 15.6499 15.6567 15.7354 15.7437 k = 0.3594 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2559 -3.2531 -3.2040 -3.2026 -2.8470 -2.8428 -2.6915 -2.6904 -2.4291 -2.4276 3.2066 3.2080 6.4058 6.4081 10.2494 10.2628 11.5553 11.5782 11.7411 11.7665 12.6953 12.7265 15.5409 15.5458 15.8836 15.8942 k = 0.3516 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2520 -3.2487 -3.2023 -3.2013 -2.8436 -2.8397 -2.6928 -2.6918 -2.4411 -2.4394 3.0810 3.0824 6.3017 6.3042 10.4542 10.4679 11.4853 11.5050 11.6517 11.6760 12.6072 12.6408 15.4299 15.4346 16.0477 16.0585 k = 0.3438 0.4740-0.0000 ( 1052 PWs) bands (ev): -3.2484 -3.2445 -3.2003 -3.1999 -2.8402 -2.8365 -2.6940 -2.6931 -2.4533 -2.4514 2.9575 2.9589 6.1980 6.2007 10.6508 10.6642 11.4155 11.4293 11.5639 11.5850 12.5276 12.5635 15.3194 15.3240 16.2241 16.2349 k = 0.3359 0.4740-0.0000 ( 1056 PWs) bands (ev): -3.2452 -3.2406 -3.1983 -3.1981 -2.8368 -2.8335 -2.6951 -2.6943 -2.4657 -2.4635 2.8361 2.8377 6.0950 6.0979 10.8307 10.8414 11.3518 11.3534 11.4805 11.4942 12.4615 12.4995 15.2096 15.2142 16.4115 16.4223 k = 0.3281 0.4740-0.0000 ( 1056 PWs) bands (ev): -3.2422 -3.2370 -3.1964 -3.1956 -2.8334 -2.8306 -2.6960 -2.6954 -2.4782 -2.4756 2.7172 2.7188 5.9929 5.9960 10.9743 10.9747 11.2809 11.3097 11.4066 11.4103 12.4171 12.4565 15.1009 15.1054 16.6089 16.6194 k = 0.3203 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2397 -3.2338 -3.1943 -3.1928 -2.8300 -2.8278 -2.6966 -2.6963 -2.4908 -2.4878 2.6006 2.6023 5.8920 5.8952 11.0190 11.0429 11.2145 11.2855 11.3579 11.3800 12.4070 12.4465 14.9934 14.9980 16.8152 16.8256 k = 0.3125 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2376 -3.2311 -3.1920 -3.1898 -2.8268 -2.8253 -2.6970 -2.6969 -2.5032 -2.4999 2.4865 2.4882 5.7924 5.7957 10.9844 11.0196 11.1435 11.2068 11.3976 11.4029 12.4462 12.4831 14.8875 14.8920 17.0298 17.0399 k = 0.3047 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2359 -3.2289 -3.1894 -3.1866 -2.8238 -2.8230 -2.6973 -2.6970 -2.5156 -2.5118 2.3750 2.3767 5.6942 5.6976 10.9191 10.9543 11.0634 11.1178 11.4251 11.4262 12.5435 12.5753 14.7831 14.7876 17.2518 17.2617 k = 0.2969 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2345 -3.2272 -3.1867 -3.1834 -2.8211 -2.8209 -2.6973 -2.6966 -2.5278 -2.5236 2.2660 2.2678 5.5977 5.6012 10.8438 10.8768 10.9792 11.0280 11.4165 11.4199 12.6931 12.7189 14.6805 14.6849 17.4809 17.4905 k = 0.2891 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.2336 -3.2260 -3.1839 -3.1803 -2.8196 -2.8183 -2.6969 -2.6957 -2.5398 -2.5351 2.1596 2.1615 5.5029 5.5064 10.7649 10.7953 10.8938 10.9387 11.3787 11.3856 12.8810 12.9014 14.5798 14.5841 17.7163 17.7257 k = 0.2812 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2329 -3.2251 -3.1812 -3.1772 -2.8185 -2.8161 -2.6961 -2.6943 -2.5513 -2.5461 2.0559 2.0578 5.4100 5.4135 10.6847 10.7128 10.8085 10.8504 11.3224 11.3323 13.0942 13.1104 14.4811 14.4853 17.9577 17.9669 k = 0.2734 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2326 -3.2247 -3.1787 -3.1745 -2.8178 -2.8142 -2.6947 -2.6924 -2.5626 -2.5567 1.9548 1.9569 5.3190 5.3226 10.6045 10.6303 10.7240 10.7633 11.2550 11.2674 13.3242 13.3371 14.3846 14.3887 18.2048 18.2137 k = 0.2656 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2325 -3.2246 -3.1765 -3.1722 -2.8174 -2.8126 -2.6929 -2.6901 -2.5733 -2.5668 1.8565 1.8586 5.2301 5.2337 10.5248 10.5485 10.6406 10.6776 11.1814 11.1955 13.5655 13.5758 14.2906 14.2944 18.4571 18.4658 k = 0.2578 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.2326 -3.2247 -3.1748 -3.1704 -2.8174 -2.8113 -2.6906 -2.6873 -2.5835 -2.5763 1.7609 1.7630 5.1433 5.1469 10.4461 10.4678 10.5586 10.5935 11.1044 11.1199 13.8144 13.8222 14.2002 14.2032 18.7144 18.7230 k = 0.2500 0.4740-0.0000 ( 1048 PWs) bands (ev): -3.2329 -3.2251 -3.1735 -3.1691 -2.8175 -2.8102 -2.6878 -2.6841 -2.5930 -2.5852 1.6680 1.6702 5.0586 5.0622 10.3686 10.3886 10.4781 10.5110 11.0260 11.0423 14.0517 14.0541 14.1299 14.1357 18.9765 18.9849 k = 0.2422 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.2333 -3.2257 -3.1729 -3.1685 -2.8177 -2.8094 -2.6847 -2.6807 -2.6019 -2.5933 1.5780 1.5802 4.9763 4.9798 10.2927 10.3109 10.3994 10.4304 10.9471 10.9641 14.0128 14.0185 14.3395 14.3476 19.2431 19.2513 k = 0.2344 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.2340 -3.2266 -3.1729 -3.1686 -2.8180 -2.8086 -2.6813 -2.6772 -2.6099 -2.6005 1.4907 1.4930 4.8962 4.8997 10.2184 10.2349 10.3225 10.3517 10.8687 10.8861 13.9298 13.9348 14.6040 14.6105 19.5139 19.5220 k = 0.2266 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.2348 -3.2276 -3.1736 -3.1695 -2.8182 -2.8079 -2.6779 -2.6737 -2.6170 -2.6068 1.4061 1.4085 4.8185 4.8220 10.1459 10.1608 10.2474 10.2750 10.7913 10.8089 13.8475 13.8522 14.8734 14.8789 19.7889 19.7969 k = 0.2188 0.4740-0.0000 ( 1048 PWs) bands (ev): -3.2358 -3.2289 -3.1751 -3.1712 -2.8183 -2.8072 -2.6748 -2.6706 -2.6229 -2.6118 1.3244 1.3268 4.7432 4.7466 10.0753 10.0887 10.1744 10.2003 10.7152 10.7330 13.7674 13.7719 15.1464 15.1511 20.0679 20.0757 k = 0.2109 0.4740-0.0000 ( 1048 PWs) bands (ev): -3.2370 -3.2305 -3.1773 -3.1737 -2.8180 -2.8062 -2.6722 -2.6682 -2.6273 -2.6154 1.2456 1.2480 4.6703 4.6737 10.0067 10.0187 10.1035 10.1277 10.6409 10.6586 13.6896 13.6939 15.4223 15.4264 20.3506 20.3583 k = 0.2031 0.4740-0.0000 ( 1052 PWs) bands (ev): -3.2384 -3.2322 -3.1802 -3.1769 -2.8175 -2.8051 -2.6709 -2.6668 -2.6297 -2.6173 1.1695 1.1720 4.5999 4.6032 9.9401 9.9507 10.0347 10.0574 10.5685 10.5861 13.6143 13.6184 15.7008 15.7043 20.6371 20.6447 k = 0.1953 0.4740-0.0000 ( 1052 PWs) bands (ev): -3.2400 -3.2343 -3.1836 -3.1808 -2.8166 -2.8037 -2.6711 -2.6666 -2.6299 -2.6173 1.0963 1.0988 4.5320 4.5352 9.8757 9.8850 9.9680 9.9893 10.4981 10.5155 13.5415 13.5456 15.9816 15.9846 20.9271 20.9345 k = 0.1875 0.4740-0.0000 ( 1052 PWs) bands (ev): -3.2419 -3.2366 -3.1876 -3.1852 -2.8153 -2.8020 -2.6726 -2.6674 -2.6279 -2.6156 1.0259 1.0284 4.4666 4.4698 9.8134 9.8216 9.9037 9.9234 10.4301 10.4472 13.4714 13.4753 16.2643 16.2670 21.2204 21.2278 k = 0.1797 0.4740-0.0000 ( 1052 PWs) bands (ev): -3.2440 -3.2393 -3.1918 -3.1900 -2.8137 -2.8001 -2.6751 -2.6691 -2.6244 -2.6126 0.9583 0.9609 4.4037 4.4068 9.7534 9.7604 9.8417 9.8600 10.3644 10.3812 13.4039 13.4077 16.5487 16.5510 21.5171 21.5244 k = 0.1719 0.4740-0.0000 ( 1048 PWs) bands (ev): -3.2465 -3.2425 -3.1963 -3.1951 -2.8118 -2.7980 -2.6780 -2.6713 -2.6199 -2.6086 0.8936 0.8962 4.3435 4.3465 9.6957 9.7016 9.7820 9.7989 10.3012 10.3176 13.3392 13.3428 16.8346 16.8366 21.8169 21.8242 k = 0.1641 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.2495 -3.2461 -3.2008 -3.2003 -2.8095 -2.7956 -2.6810 -2.6736 -2.6148 -2.6039 0.8318 0.8343 4.2858 4.2887 9.6402 9.6451 9.7247 9.7403 10.2405 10.2564 13.2771 13.2806 17.1215 17.1233 22.1198 22.1270 k = 0.1562 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.2530 -3.2504 -3.2054 -3.2051 -2.8071 -2.7931 -2.6840 -2.6761 -2.6093 -2.5988 0.7728 0.7753 4.2307 4.2336 9.5871 9.5911 9.6699 9.6841 10.1824 10.1979 13.2178 13.2212 17.4093 17.4108 22.4255 22.4327 k = 0.1484 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2571 -3.2552 -3.2103 -3.2092 -2.8045 -2.7905 -2.6868 -2.6783 -2.6035 -2.5935 0.7167 0.7192 4.1783 4.1810 9.5364 9.5395 9.6175 9.6305 10.1270 10.1419 13.1612 13.1645 17.6976 17.6988 22.7340 22.7411 k = 0.1406 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2619 -3.2607 -3.2147 -3.2129 -2.8018 -2.7878 -2.6893 -2.6805 -2.5978 -2.5882 0.6634 0.6659 4.1285 4.1311 9.4881 9.4904 9.5676 9.5794 10.0744 10.0886 13.1075 13.1106 17.9859 17.9869 23.0450 23.0521 k = 0.1328 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2673 -3.2667 -3.2185 -3.2162 -2.7991 -2.7852 -2.6915 -2.6824 -2.5920 -2.5829 0.6131 0.6155 4.0813 4.0838 9.4422 9.4437 9.5203 9.5309 10.0244 10.0381 13.0565 13.0595 18.2739 18.2747 23.3585 23.3656 k = 0.1250 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2732 -3.2730 -3.2219 -3.2192 -2.7964 -2.7827 -2.6933 -2.6841 -2.5863 -2.5776 0.5655 0.5679 4.0368 4.0392 9.3988 9.3996 9.4755 9.4850 9.9773 9.9903 13.0084 13.0112 18.5609 18.5616 23.6742 23.6813 k = 0.1172 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2797 -3.2796 -3.2247 -3.2218 -2.7938 -2.7804 -2.6947 -2.6855 -2.5808 -2.5725 0.5209 0.5232 3.9949 3.9972 9.3578 9.3581 9.4334 9.4418 9.9330 9.9453 12.9631 12.9658 18.8466 18.8470 23.9919 23.9990 k = 0.1094 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2865 -3.2861 -3.2271 -3.2240 -2.7912 -2.7783 -2.6957 -2.6866 -2.5754 -2.5675 0.4791 0.4814 3.9558 3.9579 9.3191 9.3193 9.3938 9.4012 9.8915 9.9031 12.9207 12.9232 19.1300 19.1303 24.3113 24.3184 k = 0.1016 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.2933 -3.2928 -3.2291 -3.2260 -2.7889 -2.7764 -2.6963 -2.6874 -2.5702 -2.5628 0.4403 0.4424 3.9193 3.9213 9.2827 9.2834 9.3569 9.3634 9.8529 9.8637 12.8812 12.8835 19.4104 19.4105 24.6320 24.6392 k = 0.0938 0.4740-0.0000 ( 1036 PWs) bands (ev): -3.2998 -3.2993 -3.2308 -3.2278 -2.7866 -2.7749 -2.6966 -2.6880 -2.5652 -2.5583 0.4042 0.4063 3.8855 3.8874 9.2490 9.2500 9.3226 9.3283 9.8171 9.8272 12.8445 12.8467 19.6867 19.6867 24.9538 24.9610 k = 0.0859 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.3063 -3.3057 -3.2323 -3.2294 -2.7846 -2.7736 -2.6965 -2.6884 -2.5606 -2.5542 0.3711 0.3730 3.8544 3.8561 9.2179 9.2191 9.2910 9.2959 9.7842 9.7936 12.8108 12.8127 19.9577 19.9578 25.2757 25.2831 k = 0.0781 0.4740-0.0000 ( 1040 PWs) bands (ev): -3.3124 -3.3119 -3.2335 -3.2308 -2.7828 -2.7726 -2.6962 -2.6886 -2.5562 -2.5503 0.3409 0.3427 3.8260 3.8276 9.1895 9.1909 9.2621 9.2663 9.7542 9.7627 12.7799 12.7817 20.2219 20.2221 25.5972 25.6048 k = 0.0703 0.4740-0.0000 ( 1038 PWs) bands (ev): -3.3181 -3.3176 -3.2346 -3.2321 -2.7812 -2.7719 -2.6956 -2.6886 -2.5521 -2.5468 0.3135 0.3152 3.8003 3.8018 9.1637 9.1652 9.2359 9.2394 9.7271 9.7348 12.7520 12.7536 20.4774 20.4777 25.9171 25.9250 k = 0.0625 0.4740-0.0000 ( 1046 PWs) bands (ev): -3.3235 -3.3230 -3.2356 -3.2333 -2.7798 -2.7715 -2.6948 -2.6886 -2.5485 -2.5437 0.2891 0.2906 3.7773 3.7786 9.1406 9.1422 9.2124 9.2154 9.7029 9.7098 12.7270 12.7284 20.7221 20.7225 26.2335 26.2420 k = 0.0547 0.4740-0.0000 ( 1046 PWs) bands (ev): -3.3283 -3.3279 -3.2363 -3.2343 -2.7786 -2.7713 -2.6939 -2.6884 -2.5451 -2.5408 0.2675 0.2688 3.7570 3.7582 9.1202 9.1218 9.1917 9.1941 9.6816 9.6876 12.7049 12.7062 20.9533 20.9537 26.5436 26.5531 k = 0.0469 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.3326 -3.3322 -3.2370 -3.2352 -2.7775 -2.7713 -2.6930 -2.6882 -2.5421 -2.5384 0.2488 0.2500 3.7395 3.7404 9.1026 9.1040 9.1737 9.1756 9.6632 9.6684 12.6858 12.6869 21.1676 21.1680 26.8407 26.8527 k = 0.0391 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.3362 -3.3359 -3.2375 -3.2360 -2.7766 -2.7714 -2.6921 -2.6881 -2.5395 -2.5364 0.2330 0.2340 3.7246 3.7254 9.0876 9.0889 9.1584 9.1600 9.6477 9.6520 12.6696 12.6705 21.3611 21.3615 27.0954 27.1159 k = 0.0312 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.3392 -3.3390 -3.2378 -3.2366 -2.7757 -2.7716 -2.6911 -2.6880 -2.5373 -2.5348 0.2201 0.2209 3.7125 3.7131 9.0754 9.0765 9.1460 9.1472 9.6350 9.6385 12.6564 12.6571 21.5294 21.5298 27.1530 27.1706 k = 0.0234 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.3416 -3.3414 -3.2381 -3.2372 -2.7750 -2.7719 -2.6903 -2.6879 -2.5355 -2.5336 0.2101 0.2107 3.7030 3.7035 9.0660 9.0668 9.1363 9.1372 9.6253 9.6279 12.6461 12.6467 21.6676 21.6679 27.0911 27.0998 k = 0.0156 0.4740-0.0000 ( 1054 PWs) bands (ev): -3.3433 -3.3432 -3.2382 -3.2376 -2.7743 -2.7722 -2.6895 -2.6880 -2.5341 -2.5328 0.2030 0.2034 3.6963 3.6967 9.0593 9.0599 9.1295 9.1300 9.6185 9.6203 12.6388 12.6392 21.7708 21.7710 27.0153 27.0181 k = 0.0078 0.4740-0.0000 ( 1046 PWs) bands (ev): -3.3443 -3.3442 -3.2382 -3.2379 -2.7737 -2.7726 -2.6889 -2.6881 -2.5330 -2.5324 0.1987 0.1989 3.6923 3.6925 9.0553 9.0556 9.1254 9.1257 9.6146 9.6155 12.6345 12.6346 21.8348 21.8349 26.9639 26.9649 k = 0.0000 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.3446 -3.3446 -3.2381 -3.2381 -2.7731 -2.7731 -2.6884 -2.6884 -2.5325 -2.5325 0.1974 0.1974 3.6911 3.6911 9.0541 9.0541 9.1241 9.1241 9.6136 9.6136 12.6330 12.6330 21.8565 21.8565 26.9463 26.9463 k = 0.0000 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.3446 -3.3446 -3.2381 -3.2381 -2.7731 -2.7731 -2.6884 -2.6884 -2.5325 -2.5325 0.1974 0.1974 3.6911 3.6911 9.0541 9.0541 9.1241 9.1241 9.6136 9.6136 12.6330 12.6330 21.8565 21.8565 26.9463 26.9463 k = 0.0000 0.4661-0.0000 ( 1050 PWs) bands (ev): -3.3447 -3.3447 -3.2380 -3.2380 -2.7733 -2.7733 -2.6885 -2.6885 -2.5325 -2.5325 0.1896 0.1896 3.7014 3.7014 8.9979 8.9979 9.1208 9.1208 9.6685 9.6685 12.6440 12.6440 21.8530 21.8530 26.9400 26.9400 k = 0.0000 0.4582-0.0000 ( 1050 PWs) bands (ev): -3.3448 -3.3448 -3.2378 -3.2378 -2.7736 -2.7736 -2.6886 -2.6886 -2.5326 -2.5326 0.1664 0.1664 3.7321 3.7321 8.8759 8.8759 9.0995 9.0995 9.7980 9.7980 12.6767 12.6767 21.8428 21.8428 26.9212 26.9212 k = 0.0000 0.4503-0.0000 ( 1050 PWs) bands (ev): -3.3451 -3.3451 -3.2374 -3.2374 -2.7742 -2.7742 -2.6889 -2.6889 -2.5327 -2.5327 0.1288 0.1288 3.7823 3.7823 8.7306 8.7306 9.0605 9.0605 9.9608 9.9608 12.7301 12.7301 21.8258 21.8258 26.8905 26.8905 k = 0.0000 0.4424-0.0000 ( 1050 PWs) bands (ev): -3.3454 -3.3454 -3.2369 -3.2369 -2.7750 -2.7750 -2.6892 -2.6892 -2.5328 -2.5328 0.0779 0.0779 3.8507 3.8507 8.5777 8.5777 9.0066 9.0066 10.1394 10.1394 12.8029 12.8029 21.8024 21.8024 26.8486 26.8486 k = 0.0000 0.4345-0.0000 ( 1052 PWs) bands (ev): -3.3458 -3.3458 -3.2362 -3.2362 -2.7761 -2.7761 -2.6896 -2.6896 -2.5330 -2.5330 0.0153 0.0153 3.9356 3.9356 8.4235 8.4235 8.9398 8.9398 10.3272 10.3272 12.8935 12.8935 21.7727 21.7727 26.7967 26.7967 k = 0.0000 0.4266-0.0000 ( 1048 PWs) bands (ev): -3.3464 -3.3464 -3.2354 -3.2354 -2.7775 -2.7775 -2.6900 -2.6900 -2.5332 -2.5332 -0.0574 -0.0574 4.0351 4.0351 8.2708 8.2708 8.8622 8.8622 10.5217 10.5217 13.0000 13.0000 21.7370 21.7370 26.7359 26.7359 k = 0.0000 0.4187-0.0000 ( 1048 PWs) bands (ev): -3.3470 -3.3470 -3.2345 -3.2345 -2.7792 -2.7792 -2.6904 -2.6904 -2.5333 -2.5333 -0.1386 -0.1386 4.1474 4.1474 8.1212 8.1212 8.7754 8.7754 10.7214 10.7214 13.1207 13.1207 21.6958 21.6958 26.6672 26.6672 k = 0.0000 0.4108-0.0000 ( 1048 PWs) bands (ev): -3.3478 -3.3478 -3.2336 -3.2336 -2.7813 -2.7813 -2.6907 -2.6907 -2.5335 -2.5335 -0.2267 -0.2267 4.2706 4.2706 7.9756 7.9756 8.6813 8.6813 10.9255 10.9255 13.2540 13.2540 21.6494 21.6494 26.5918 26.5918 k = 0.0000 0.4029-0.0000 ( 1052 PWs) bands (ev): -3.3487 -3.3487 -3.2326 -3.2326 -2.7837 -2.7837 -2.6911 -2.6911 -2.5337 -2.5337 -0.3203 -0.3203 4.4026 4.4026 7.8351 7.8351 8.5811 8.5811 11.1337 11.1337 13.3984 13.3984 21.5983 21.5983 26.5103 26.5103 k = 0.0000 0.3950-0.0000 ( 1052 PWs) bands (ev): -3.3496 -3.3496 -3.2315 -3.2315 -2.7865 -2.7865 -2.6913 -2.6913 -2.5339 -2.5339 -0.4182 -0.4182 4.5416 4.5416 7.7007 7.7007 8.4763 8.4763 11.3456 11.3456 13.5526 13.5526 21.5428 21.5428 26.4192 26.4192 k = 0.0000 0.3871-0.0000 ( 1046 PWs) bands (ev): -3.3507 -3.3507 -3.2303 -3.2303 -2.7897 -2.7897 -2.6914 -2.6914 -2.5340 -2.5340 -0.5192 -0.5192 4.6855 4.6855 7.5734 7.5734 8.3679 8.3679 11.5611 11.5611 13.7155 13.7155 21.4834 21.4834 26.3099 26.3099 k = 0.0000 0.3792-0.0000 ( 1046 PWs) bands (ev): -3.3519 -3.3519 -3.2292 -3.2292 -2.7933 -2.7933 -2.6914 -2.6914 -2.5341 -2.5341 -0.6226 -0.6226 4.8319 4.8319 7.4550 7.4550 8.2570 8.2570 11.7799 11.7799 13.8860 13.8860 21.4206 21.4206 26.1950 26.1950 k = 0.0000 0.3713-0.0000 ( 1046 PWs) bands (ev): -3.3533 -3.3533 -3.2282 -3.2282 -2.7973 -2.7973 -2.6912 -2.6912 -2.5342 -2.5342 -0.7274 -0.7274 4.9779 4.9779 7.3474 7.3474 8.1442 8.1442 12.0020 12.0020 14.0634 14.0634 21.3548 21.3548 26.0790 26.0790 k = 0.0000 0.3634-0.0000 ( 1042 PWs) bands (ev): -3.3547 -3.3547 -3.2272 -3.2272 -2.8017 -2.8017 -2.6909 -2.6909 -2.5341 -2.5341 -0.8329 -0.8329 5.1200 5.1200 7.2538 7.2538 8.0304 8.0304 12.2273 12.2273 14.2470 14.2470 21.2864 21.2864 25.9631 25.9631 k = 0.0000 0.3555-0.0000 ( 1042 PWs) bands (ev): -3.3563 -3.3563 -3.2265 -3.2265 -2.8065 -2.8065 -2.6905 -2.6905 -2.5341 -2.5341 -0.9387 -0.9387 5.2533 5.2533 7.1781 7.1781 7.9161 7.9161 12.4557 12.4557 14.4360 14.4360 21.2158 21.2158 25.8479 25.8479 k = 0.0000 0.3476-0.0000 ( 1038 PWs) bands (ev): -3.3580 -3.3580 -3.2259 -3.2259 -2.8115 -2.8115 -2.6899 -2.6899 -2.5340 -2.5340 -1.0442 -1.0442 5.3720 5.3720 7.1261 7.1261 7.8019 7.8019 12.6871 12.6871 14.6300 14.6300 21.1434 21.1434 25.7340 25.7340 k = 0.0000 0.3397-0.0000 ( 1038 PWs) bands (ev): -3.3599 -3.3599 -3.2255 -3.2255 -2.8169 -2.8169 -2.6891 -2.6891 -2.5338 -2.5338 -1.1489 -1.1489 5.4687 5.4687 7.1042 7.1042 7.6885 7.6885 12.9214 12.9214 14.8286 14.8286 21.0695 21.0695 25.6218 25.6218 k = 0.0000 0.3318-0.0000 ( 1038 PWs) bands (ev): -3.3620 -3.3620 -3.2256 -3.2256 -2.8226 -2.8226 -2.6883 -2.6883 -2.5335 -2.5335 -1.2525 -1.2525 5.5367 5.5367 7.1181 7.1181 7.5769 7.5769 13.1586 13.1586 15.0312 15.0312 20.9944 20.9944 25.5116 25.5116 k = 0.0000 0.3239-0.0000 ( 1034 PWs) bands (ev): -3.3642 -3.3642 -3.2260 -3.2260 -2.8284 -2.8284 -2.6873 -2.6873 -2.5331 -2.5331 -1.3546 -1.3546 5.5722 5.5722 7.1691 7.1691 7.4697 7.4697 13.3986 13.3986 15.2375 15.2375 20.9186 20.9186 25.4040 25.4040 k = 0.0000 0.3160-0.0000 ( 1038 PWs) bands (ev): -3.3667 -3.3667 -3.2269 -3.2269 -2.8345 -2.8345 -2.6863 -2.6863 -2.5326 -2.5326 -1.4549 -1.4549 5.5759 5.5759 7.2377 7.2377 7.3857 7.3857 13.6413 13.6413 15.4472 15.4472 20.8422 20.8422 25.2989 25.2989 k = 0.0000 0.3081-0.0000 ( 1038 PWs) bands (ev): -3.3693 -3.3693 -3.2284 -3.2284 -2.8407 -2.8407 -2.6852 -2.6852 -2.5321 -2.5321 -1.5531 -1.5531 5.5527 5.5527 7.2088 7.2088 7.4350 7.4350 13.8868 13.8868 15.6598 15.6598 20.7656 20.7656 25.1970 25.1970 k = 0.0000 0.3002-0.0000 ( 1038 PWs) bands (ev): -3.3722 -3.3722 -3.2305 -3.2305 -2.8470 -2.8470 -2.6841 -2.6841 -2.5315 -2.5315 -1.6490 -1.6490 5.5092 5.5092 7.1122 7.1122 7.5814 7.5814 14.1348 14.1348 15.8752 15.8752 20.6890 20.6890 25.0985 25.0985 k = 0.0000 0.2923-0.0000 ( 1038 PWs) bands (ev): -3.3753 -3.3753 -3.2333 -3.2333 -2.8533 -2.8533 -2.6829 -2.6829 -2.5308 -2.5308 -1.7422 -1.7422 5.4515 5.4515 7.0087 7.0087 7.7579 7.7579 14.3854 14.3854 16.0930 16.0930 20.6126 20.6126 25.0036 25.0036 k = 0.0000 0.2844-0.0000 ( 1034 PWs) bands (ev): -3.3788 -3.3788 -3.2369 -3.2369 -2.8596 -2.8596 -2.6817 -2.6817 -2.5299 -2.5299 -1.8325 -1.8325 5.3843 5.3843 6.9049 6.9049 7.9530 7.9530 14.6385 14.6385 16.3128 16.3128 20.5366 20.5366 24.9127 24.9127 k = 0.0000 0.2765-0.0000 ( 1034 PWs) bands (ev): -3.3825 -3.3825 -3.2414 -3.2414 -2.8659 -2.8659 -2.6805 -2.6805 -2.5291 -2.5291 -1.9197 -1.9197 5.3112 5.3112 6.8024 6.8024 8.1617 8.1617 14.8939 14.8939 16.5343 16.5343 20.4613 20.4613 24.8261 24.8261 k = 0.0000 0.2686-0.0000 ( 1030 PWs) bands (ev): -3.3867 -3.3867 -3.2469 -3.2469 -2.8723 -2.8723 -2.6794 -2.6794 -2.5282 -2.5282 -2.0034 -2.0034 5.2346 5.2346 6.7016 6.7016 8.3811 8.3811 15.1517 15.1517 16.7571 16.7571 20.3868 20.3868 24.7441 24.7441 k = 0.0000 0.2607-0.0000 ( 1030 PWs) bands (ev): -3.3914 -3.3914 -3.2533 -3.2533 -2.8787 -2.8787 -2.6783 -2.6783 -2.5273 -2.5273 -2.0832 -2.0832 5.1561 5.1561 6.6027 6.6027 8.6092 8.6092 15.4117 15.4117 16.9810 16.9810 20.3134 20.3134 24.6669 24.6669 k = 0.0000 0.2528-0.0000 ( 1030 PWs) bands (ev): -3.3967 -3.3967 -3.2609 -3.2609 -2.8852 -2.8852 -2.6773 -2.6773 -2.5266 -2.5266 -2.1589 -2.1589 5.0771 5.0771 6.5060 6.5060 8.8446 8.8446 15.6738 15.6738 17.2054 17.2054 20.2411 20.2411 24.5950 24.5950 k = 0.0000 0.2449-0.0000 ( 1030 PWs) bands (ev): -3.4027 -3.4027 -3.2694 -3.2694 -2.8919 -2.8919 -2.6764 -2.6764 -2.5260 -2.5260 -2.2298 -2.2298 4.9984 4.9984 6.4116 6.4116 9.0861 9.0861 15.9380 15.9380 17.4299 17.4299 20.1702 20.1702 24.5289 24.5289 k = 0.0000 0.2370-0.0000 ( 1030 PWs) bands (ev): -3.4098 -3.4098 -3.2788 -3.2788 -2.8990 -2.8990 -2.6757 -2.6757 -2.5260 -2.5260 -2.2955 -2.2955 4.9206 4.9206 6.3196 6.3196 9.3332 9.3332 16.2039 16.2039 17.6540 17.6540 20.1008 20.1008 24.4689 24.4689 k = 0.0000 0.2291-0.0000 ( 1028 PWs) bands (ev): -3.4181 -3.4181 -3.2891 -3.2891 -2.9066 -2.9066 -2.6752 -2.6752 -2.5269 -2.5269 -2.3549 -2.3549 4.8441 4.8441 6.2300 6.2300 9.5851 9.5851 16.4717 16.4717 17.8771 17.8771 20.0330 20.0330 24.4157 24.4157 k = 0.0000 0.2212-0.0000 ( 1028 PWs) bands (ev): -3.4279 -3.4279 -3.2999 -3.2999 -2.9148 -2.9148 -2.6750 -2.6750 -2.5299 -2.5299 -2.4066 -2.4066 4.7693 4.7693 6.1429 6.1429 9.8415 9.8415 16.7410 16.7410 18.0985 18.0985 19.9672 19.9672 24.3698 24.3698 k = 0.0000 0.2133-0.0000 ( 1028 PWs) bands (ev): -3.4397 -3.4397 -3.3110 -3.3110 -2.9240 -2.9240 -2.6753 -2.6753 -2.5376 -2.5376 -2.4474 -2.4474 4.6965 4.6965 6.0585 6.0585 10.1018 10.1018 17.0116 17.0116 18.3174 18.3174 19.9034 19.9034 24.3316 24.3316 k = 0.0000 0.2054-0.0000 ( 1027 PWs) bands (ev): -3.4538 -3.4538 -3.3220 -3.3220 -2.9342 -2.9342 -2.6761 -2.6761 -2.5538 -2.5538 -2.4732 -2.4732 4.6258 4.6258 5.9767 5.9767 10.3659 10.3659 17.2834 17.2834 18.5329 18.5329 19.8420 19.8420 24.2989 24.2989 k = 0.0000 0.1975-0.0000 ( 1027 PWs) bands (ev): -3.4706 -3.4706 -3.3326 -3.3326 -2.9457 -2.9457 -2.6779 -2.6779 -2.5769 -2.5769 -2.4851 -2.4851 4.5574 4.5574 5.8976 5.8976 10.6333 10.6333 17.5561 17.5561 18.7438 18.7438 19.7835 19.7835 24.2353 24.2353 k = 0.0000 0.1896-0.0000 ( 1027 PWs) bands (ev): -3.4901 -3.4901 -3.3424 -3.3424 -2.9583 -2.9583 -2.6810 -2.6810 -2.6000 -2.6000 -2.4894 -2.4894 4.4914 4.4914 5.8212 5.8212 10.9040 10.9040 17.8292 17.8292 18.9481 18.9481 19.7290 19.7290 24.1646 24.1646 k = 0.0000 0.1817-0.0000 ( 1029 PWs) bands (ev): -3.5125 -3.5125 -3.3515 -3.3515 -2.9721 -2.9721 -2.6862 -2.6862 -2.6186 -2.6186 -2.4906 -2.4906 4.4279 4.4279 5.7477 5.7477 11.1775 11.1775 18.1023 18.1023 19.1426 19.1426 19.6809 19.6809 24.0944 24.0944 k = 0.0000 0.1738-0.0000 ( 1033 PWs) bands (ev): -3.5373 -3.5373 -3.3597 -3.3597 -2.9868 -2.9868 -2.6933 -2.6933 -2.6315 -2.6315 -2.4902 -2.4902 4.3669 4.3669 5.6770 5.6770 11.4537 11.4537 18.3746 18.3746 19.3178 19.3178 19.6479 19.6479 24.0247 24.0247 k = 0.0000 0.1659-0.0000 ( 1029 PWs) bands (ev): -3.5643 -3.5643 -3.3671 -3.3671 -3.0019 -3.0019 -2.7014 -2.7014 -2.6393 -2.6393 -2.4891 -2.4891 4.3086 4.3086 5.6091 5.6091 11.7324 11.7324 18.6451 18.6451 19.4366 19.4366 19.6669 19.6669 23.9549 23.9549 k = 0.0000 0.1580-0.0000 ( 1029 PWs) bands (ev): -3.5930 -3.5930 -3.3738 -3.3738 -3.0172 -3.0172 -2.7093 -2.7093 -2.6439 -2.6439 -2.4875 -2.4875 4.2529 4.2529 5.5442 5.5442 12.0133 12.0133 18.9108 18.9108 19.4578 19.4578 19.7801 19.7801 23.8845 23.8845 k = 0.0000 0.1501-0.0000 ( 1029 PWs) bands (ev): -3.6229 -3.6229 -3.3799 -3.3799 -3.0322 -3.0322 -2.7162 -2.7162 -2.6465 -2.6465 -2.4857 -2.4857 4.1998 4.1998 5.4823 5.4823 12.2961 12.2961 19.1598 19.1598 19.4495 19.4495 19.9295 19.9295 23.8126 23.8126 k = 0.0000 0.1422-0.0000 ( 1027 PWs) bands (ev): -3.6534 -3.6534 -3.3855 -3.3855 -3.0467 -3.0467 -2.7216 -2.7216 -2.6481 -2.6481 -2.4837 -2.4837 4.1495 4.1495 5.4233 5.4233 12.5806 12.5806 19.3083 19.3083 19.5290 19.5290 20.0798 20.0798 23.7379 23.7379 k = 0.0000 0.1343-0.0000 ( 1031 PWs) bands (ev): -3.6842 -3.6842 -3.3908 -3.3908 -3.0605 -3.0605 -2.7257 -2.7257 -2.6490 -2.6490 -2.4817 -2.4817 4.1019 4.1019 5.3673 5.3673 12.8665 12.8665 19.3074 19.3074 19.7510 19.7510 20.2231 20.2231 23.6591 23.6591 k = 0.0000 0.1264-0.0000 ( 1029 PWs) bands (ev): -3.7148 -3.7148 -3.3958 -3.3958 -3.0734 -3.0734 -2.7287 -2.7287 -2.6496 -2.6496 -2.4796 -2.4796 4.0570 4.0570 5.3144 5.3144 13.1533 13.1533 19.2774 19.2774 19.9941 19.9941 20.3583 20.3583 23.5745 23.5745 k = 0.0000 0.1185-0.0000 ( 1029 PWs) bands (ev): -3.7449 -3.7449 -3.4004 -3.4004 -3.0854 -3.0854 -2.7306 -2.7306 -2.6499 -2.6499 -2.4775 -2.4775 4.0148 4.0148 5.2645 5.2645 13.4406 13.4406 19.2435 19.2435 20.2272 20.2272 20.4892 20.4892 23.4819 23.4819 k = 0.0000 0.1106-0.0000 ( 1029 PWs) bands (ev): -3.7741 -3.7741 -3.4048 -3.4048 -3.0965 -3.0965 -2.7318 -2.7318 -2.6500 -2.6500 -2.4754 -2.4754 3.9754 3.9754 5.2177 5.2177 13.7279 13.7279 19.2096 19.2096 20.4299 20.4299 20.6292 20.6292 23.3798 23.3798 k = 0.0000 0.1027-0.0000 ( 1033 PWs) bands (ev): -3.8022 -3.8022 -3.4091 -3.4091 -3.1067 -3.1067 -2.7325 -2.7325 -2.6501 -2.6501 -2.4734 -2.4734 3.9386 3.9386 5.1741 5.1741 14.0147 14.0147 19.1772 19.1772 20.5781 20.5781 20.7970 20.7970 23.2679 23.2679 k = 0.0000 0.0948-0.0000 ( 1033 PWs) bands (ev): -3.8289 -3.8289 -3.4130 -3.4130 -3.1159 -3.1159 -2.7326 -2.7326 -2.6501 -2.6501 -2.4714 -2.4714 3.9047 3.9047 5.1335 5.1335 14.3000 14.3000 19.1466 19.1466 20.6805 20.6805 20.9779 20.9779 23.1487 23.1487 k = 0.0000 0.0869-0.0000 ( 1029 PWs) bands (ev): -3.8540 -3.8540 -3.4166 -3.4166 -3.1243 -3.1243 -2.7323 -2.7323 -2.6500 -2.6500 -2.4695 -2.4695 3.8735 3.8735 5.0962 5.0962 14.5831 14.5831 19.1181 19.1181 20.7581 20.7581 21.1417 21.1417 23.0295 23.0295 k = 0.0000 0.0790-0.0000 ( 1033 PWs) bands (ev): -3.8774 -3.8774 -3.4201 -3.4201 -3.1318 -3.1318 -2.7319 -2.7319 -2.6499 -2.6499 -2.4678 -2.4678 3.8449 3.8449 5.0620 5.0620 14.8626 14.8626 19.0920 19.0920 20.8202 20.8202 21.2663 21.2663 22.9233 22.9233 k = 0.0000 0.0711-0.0000 ( 1035 PWs) bands (ev): -3.8989 -3.8989 -3.4232 -3.4232 -3.1384 -3.1384 -2.7313 -2.7313 -2.6499 -2.6499 -2.4662 -2.4662 3.8192 3.8192 5.0310 5.0310 15.1370 15.1370 19.0683 19.0683 20.8704 20.8704 21.3331 21.3331 22.8476 22.8476 k = 0.0000 0.0632-0.0000 ( 1035 PWs) bands (ev): -3.9184 -3.9184 -3.4261 -3.4261 -3.1443 -3.1443 -2.7306 -2.7306 -2.6498 -2.6498 -2.4647 -2.4647 3.7961 3.7961 5.0033 5.0033 15.4042 15.4042 19.0472 19.0472 20.9102 20.9102 21.3303 21.3303 22.8157 22.8157 k = 0.0000 0.0553-0.0000 ( 1031 PWs) bands (ev): -3.9358 -3.9358 -3.4286 -3.4286 -3.1494 -3.1494 -2.7298 -2.7298 -2.6496 -2.6496 -2.4633 -2.4633 3.7758 3.7758 4.9787 4.9787 15.6616 15.6616 19.0287 19.0287 20.9394 20.9394 21.2632 21.2632 22.8262 22.8262 k = 0.0000 0.0474-0.0000 ( 1027 PWs) bands (ev): -3.9510 -3.9510 -3.4308 -3.4308 -3.1538 -3.1538 -2.7290 -2.7290 -2.6495 -2.6495 -2.4621 -2.4621 3.7582 3.7582 4.9575 4.9575 15.9057 15.9057 19.0128 19.0128 20.9524 20.9524 21.1575 21.1575 22.8644 22.8644 k = 0.0000 0.0395-0.0000 ( 1027 PWs) bands (ev): -3.9640 -3.9640 -3.4327 -3.4327 -3.1575 -3.1575 -2.7284 -2.7284 -2.6494 -2.6494 -2.4611 -2.4611 3.7433 3.7433 4.9394 4.9394 16.1319 16.1319 18.9997 18.9997 20.9161 20.9161 21.0701 21.0701 22.9130 22.9130 k = 0.0000 0.0316-0.0000 ( 1025 PWs) bands (ev): -3.9747 -3.9747 -3.4343 -3.4343 -3.1604 -3.1604 -2.7278 -2.7278 -2.6493 -2.6493 -2.4603 -2.4603 3.7311 3.7311 4.9247 4.9247 16.3342 16.3342 18.9894 18.9894 20.8023 20.8023 21.0505 21.0505 22.9596 22.9596 k = 0.0000 0.0237-0.0000 ( 1029 PWs) bands (ev): -3.9831 -3.9831 -3.4356 -3.4356 -3.1627 -3.1627 -2.7273 -2.7273 -2.6493 -2.6493 -2.4597 -2.4597 3.7217 3.7217 4.9132 4.9132 16.5053 16.5053 18.9817 18.9817 20.6739 20.6739 21.0533 21.0533 22.9980 22.9980 k = 0.0000 0.0158-0.0000 ( 1029 PWs) bands (ev): -3.9891 -3.9891 -3.4365 -3.4365 -3.1644 -3.1644 -2.7269 -2.7269 -2.6493 -2.6493 -2.4592 -2.4592 3.7149 3.7149 4.9049 4.9049 16.6367 16.6367 18.9766 18.9766 20.5661 20.5661 21.0584 21.0584 23.0258 23.0258 k = 0.0000 0.0079-0.0000 ( 1033 PWs) bands (ev): -3.9927 -3.9927 -3.4370 -3.4370 -3.1654 -3.1654 -2.7267 -2.7267 -2.6493 -2.6493 -2.4590 -2.4590 3.7108 3.7108 4.9000 4.9000 16.7199 16.7199 18.9737 18.9737 20.4950 20.4950 21.0619 21.0619 23.0423 23.0423 k = 0.0000 0.0000 0.0000 ( 1033 PWs) bands (ev): -3.9939 -3.9939 -3.4371 -3.4371 -3.1657 -3.1657 -2.7267 -2.7267 -2.6493 -2.6493 -2.4589 -2.4589 3.7095 3.7095 4.8984 4.8984 16.7485 16.7485 18.9727 18.9727 20.4702 20.4702 21.0632 21.0632 23.0478 23.0478 k = 0.0000 0.0000 0.0000 ( 1033 PWs) bands (ev): -3.9939 -3.9939 -3.4371 -3.4371 -3.1657 -3.1657 -2.7267 -2.7267 -2.6493 -2.6493 -2.4589 -2.4589 3.7095 3.7095 4.8984 4.8984 16.7485 16.7485 18.9727 18.9727 20.4702 20.4702 21.0632 21.0632 23.0478 23.0478 k = 0.0000 0.0000 0.0078 ( 1033 PWs) bands (ev): -3.9933 -3.9926 -3.4373 -3.4371 -3.1671 -3.1645 -2.7275 -2.7258 -2.6493 -2.6492 -2.4589 -2.4589 3.6816 3.6828 4.9286 4.9299 16.7475 16.7499 18.9729 18.9737 20.4694 20.4722 21.0315 21.0386 23.0520 23.0649 k = 0.0000 0.0000 0.0156 ( 1033 PWs) bands (ev): -3.9910 -3.9896 -3.4374 -3.4370 -3.1685 -3.1633 -2.7284 -2.7250 -2.6493 -2.6492 -2.4589 -2.4588 3.6064 3.6085 5.0135 5.0158 16.7471 16.7518 18.9742 18.9758 20.4693 20.4760 20.9480 20.9597 23.0757 23.1001 k = 0.0000 0.0000 0.0234 ( 1033 PWs) bands (ev): -3.9870 -3.9848 -3.4376 -3.4368 -3.1702 -3.1624 -2.7293 -2.7241 -2.6494 -2.6492 -2.4590 -2.4588 3.4988 3.5015 5.1382 5.1413 16.7471 16.7543 18.9766 18.9789 20.4674 20.4815 20.8222 20.8330 23.1135 23.1470 k = 0.0000 0.0000 0.0311 ( 1033 PWs) bands (ev): -3.9812 -3.9783 -3.4377 -3.4367 -3.1719 -3.1615 -2.7301 -2.7233 -2.6495 -2.6492 -2.4590 -2.4588 3.3720 3.3751 5.2896 5.2931 16.7476 16.7572 18.9799 18.9832 20.4532 20.4888 20.6672 20.6735 23.1584 23.1984 k = 0.0000 0.0000 0.0389 ( 1029 PWs) bands (ev): -3.9737 -3.9701 -3.4378 -3.4366 -3.1738 -3.1608 -2.7310 -2.7224 -2.6496 -2.6492 -2.4589 -2.4587 3.2346 3.2379 5.4589 5.4626 16.7483 16.7607 18.9839 18.9884 20.3709 20.4670 20.5018 20.5658 23.2043 23.2487 k = 0.0000 0.0000 0.0467 ( 1029 PWs) bands (ev): -3.9645 -3.9602 -3.4379 -3.4364 -3.1758 -3.1602 -2.7318 -2.7216 -2.6497 -2.6493 -2.4589 -2.4586 3.0919 3.0953 5.6407 5.6447 16.7494 16.7647 18.9883 18.9945 20.1833 20.2490 20.5108 20.5430 23.2466 23.2934 k = 0.0000 0.0000 0.0545 ( 1031 PWs) bands (ev): -3.9537 -3.9486 -3.4380 -3.4363 -3.1780 -3.1598 -2.7327 -2.7209 -2.6499 -2.6493 -2.4590 -2.4586 2.9472 2.9506 5.8319 5.8360 16.7505 16.7690 18.9923 19.0010 19.9547 20.0109 20.5242 20.5468 23.2821 23.3299 k = 0.0000 0.0000 0.0623 ( 1037 PWs) bands (ev): -3.9413 -3.9354 -3.4382 -3.4362 -3.1803 -3.1596 -2.7337 -2.7202 -2.6500 -2.6494 -2.4590 -2.4586 2.8024 2.8058 6.0305 6.0348 16.7516 16.7737 18.9943 19.0073 19.7095 19.7598 20.5397 20.5583 23.3089 23.3564 k = 0.0000 0.0000 0.0701 ( 1037 PWs) bands (ev): -3.9273 -3.9207 -3.4383 -3.4360 -3.1828 -3.1595 -2.7345 -2.7195 -2.6502 -2.6495 -2.4590 -2.4586 2.6587 2.6621 6.2353 6.2396 16.7525 16.7787 18.9887 19.0108 19.4601 19.5016 20.5573 20.5739 23.3259 23.3721 k = 0.0000 0.0000 0.0779 ( 1041 PWs) bands (ev): -3.9119 -3.9044 -3.4384 -3.4359 -3.1855 -3.1596 -2.7353 -2.7188 -2.6504 -2.6496 -2.4590 -2.4585 2.5173 2.5206 6.4453 6.4497 16.7528 16.7839 18.9492 18.9991 19.2361 19.2518 20.5770 20.5925 23.3323 23.3762 k = 0.0000 0.0000 0.0856 ( 1041 PWs) bands (ev): -3.8952 -3.8868 -3.4385 -3.4357 -3.1883 -3.1599 -2.7361 -2.7181 -2.6506 -2.6497 -2.4590 -2.4585 2.3785 2.3818 6.6601 6.6646 16.7520 16.7891 18.7932 18.8805 19.1041 19.1226 20.5988 20.6137 23.3277 23.3685 k = 0.0000 0.0000 0.0934 ( 1045 PWs) bands (ev): -3.8771 -3.8678 -3.4387 -3.4355 -3.1913 -3.1605 -2.7369 -2.7175 -2.6509 -2.6499 -2.4590 -2.4585 2.2431 2.2463 6.8791 6.8836 16.7496 16.7941 18.5414 18.6296 19.0862 19.1005 20.6226 20.6372 23.3120 23.3490 k = 0.0000 0.0000 0.1012 ( 1045 PWs) bands (ev): -3.8577 -3.8475 -3.4388 -3.4353 -3.1946 -3.1613 -2.7376 -2.7169 -2.6511 -2.6500 -2.4590 -2.4584 2.1114 2.1145 7.1021 7.1066 16.7442 16.7985 18.2635 18.3550 19.0918 19.1018 20.6485 20.6629 23.2854 23.3180 k = 0.0000 0.0000 0.1090 ( 1045 PWs) bands (ev): -3.8373 -3.8261 -3.4390 -3.4351 -3.1980 -3.1623 -2.7382 -2.7164 -2.6514 -2.6502 -2.4590 -2.4584 1.9836 1.9867 7.3287 7.3333 16.7339 16.8016 17.9777 18.0780 19.1025 19.1100 20.6765 20.6908 23.2485 23.2763 k = 0.0000 0.0000 0.1168 ( 1047 PWs) bands (ev): -3.8158 -3.8037 -3.4392 -3.4349 -3.2018 -3.1637 -2.7388 -2.7159 -2.6516 -2.6503 -2.4589 -2.4583 1.8602 1.8632 7.5588 7.5635 16.7145 16.8018 17.6902 17.8064 19.1154 19.1211 20.7064 20.7209 23.2020 23.2249 k = 0.0000 0.0000 0.1246 ( 1047 PWs) bands (ev): -3.7935 -3.7803 -3.4393 -3.4346 -3.2057 -3.1654 -2.7393 -2.7155 -2.6519 -2.6505 -2.4589 -2.4583 1.7415 1.7443 7.7922 7.7970 16.6777 16.7946 17.4075 17.5500 19.1292 19.1338 20.7384 20.7530 23.1471 23.1653 k = 0.0000 0.0000 0.1324 ( 1043 PWs) bands (ev): -3.7704 -3.7562 -3.4395 -3.4344 -3.2099 -3.1674 -2.7397 -2.7151 -2.6522 -2.6507 -2.4589 -2.4582 1.6275 1.6303 8.0288 8.0337 16.6071 16.7626 17.1479 17.3262 19.1438 19.1475 20.7724 20.7872 23.0852 23.0988 k = 0.0000 0.0000 0.1401 ( 1043 PWs) bands (ev): -3.7466 -3.7314 -3.4397 -3.4340 -3.2144 -3.1699 -2.7400 -2.7148 -2.6525 -2.6509 -2.4588 -2.4582 1.5188 1.5213 8.2684 8.2733 16.4787 16.6426 16.9753 17.1597 19.1586 19.1617 20.8083 20.8233 23.0174 23.0268 k = 0.0000 0.0000 0.1479 ( 1043 PWs) bands (ev): -3.7224 -3.7062 -3.4399 -3.4337 -3.2192 -3.1729 -2.7403 -2.7147 -2.6528 -2.6511 -2.4587 -2.4581 1.4153 1.4178 8.5109 8.5159 16.2838 16.4059 16.9191 17.0594 19.1735 19.1761 20.8461 20.8613 22.9453 22.9509 k = 0.0000 0.0000 0.1557 ( 1043 PWs) bands (ev): -3.6979 -3.6807 -3.4401 -3.4333 -3.2243 -3.1764 -2.7404 -2.7146 -2.6531 -2.6514 -2.4587 -2.4580 1.3175 1.3198 8.7561 8.7611 16.0421 16.1268 16.9055 17.0063 19.1884 19.1905 20.8857 20.9011 22.8699 22.8722 k = 0.0000 0.0000 0.1635 ( 1039 PWs) bands (ev): -3.6732 -3.6552 -3.4403 -3.4328 -3.2298 -3.1804 -2.7403 -2.7147 -2.6534 -2.6515 -2.4585 -2.4579 1.2256 1.2278 9.0038 9.0090 15.7757 15.8367 16.9034 16.9784 19.2031 19.2048 20.9271 20.9426 22.7918 22.7924 k = 0.0000 0.0000 0.1713 ( 1041 PWs) bands (ev): -3.6485 -3.6298 -3.4406 -3.4322 -3.2355 -3.1851 -2.7402 -2.7150 -2.6537 -2.6518 -2.4585 -2.4579 1.1398 1.1418 9.2539 9.2592 15.4974 15.5434 16.9053 16.9633 19.2173 19.2187 20.9701 20.9856 22.7107 22.7138 k = 0.0000 0.0000 0.1791 ( 1043 PWs) bands (ev): -3.6240 -3.6047 -3.4409 -3.4316 -3.2416 -3.1904 -2.7398 -2.7153 -2.6540 -2.6521 -2.4584 -2.4578 1.0604 1.0622 9.5062 9.5116 15.2137 15.2496 16.9089 16.9550 19.2309 19.2321 21.0144 21.0301 22.6299 22.6350 k = 0.0000 0.0000 0.1869 ( 1047 PWs) bands (ev): -3.5999 -3.5804 -3.4413 -3.4308 -3.2479 -3.1964 -2.7393 -2.7159 -2.6542 -2.6524 -2.4583 -2.4578 0.9875 0.9892 9.7603 9.7658 14.9278 14.9567 16.9132 16.9505 19.2438 19.2447 21.0600 21.0755 22.5500 22.5569 k = 0.0000 0.0000 0.1946 ( 1044 PWs) bands (ev): -3.5764 -3.5571 -3.4416 -3.4299 -3.2543 -3.2031 -2.7386 -2.7166 -2.6544 -2.6526 -2.4582 -2.4577 0.9216 0.9231 10.0158 10.0215 14.6418 14.6657 16.9178 16.9482 19.2558 19.2566 21.1064 21.1217 22.4721 22.4803 k = 0.0000 0.0000 0.2024 ( 1048 PWs) bands (ev): -3.5537 -3.5353 -3.4421 -3.4288 -3.2607 -3.2105 -2.7378 -2.7175 -2.6546 -2.6529 -2.4582 -2.4577 0.8628 0.8641 10.2723 10.2781 14.3574 14.3774 16.9224 16.9472 19.2668 19.2674 21.1531 21.1681 22.3969 22.4060 k = 0.0000 0.0000 0.2102 ( 1048 PWs) bands (ev): -3.5319 -3.5153 -3.4426 -3.4274 -3.2669 -3.2186 -2.7367 -2.7185 -2.6547 -2.6532 -2.4581 -2.4577 0.8113 0.8124 10.5287 10.5346 14.0760 14.0930 16.9268 16.9468 19.2766 19.2771 21.1996 21.2140 22.3255 22.3352 k = 0.0000 0.0000 0.2180 ( 1048 PWs) bands (ev): -3.5113 -3.4978 -3.4432 -3.4260 -3.2724 -3.2273 -2.7355 -2.7197 -2.6548 -2.6534 -2.4580 -2.4576 0.7673 0.7682 10.7835 10.7896 13.7996 13.8142 16.9308 16.9468 19.2851 19.2855 21.2448 21.2582 22.2592 22.2689 k = 0.0000 0.0000 0.2258 ( 1046 PWs) bands (ev): -3.4923 -3.4832 -3.4439 -3.4245 -3.2767 -3.2364 -2.7341 -2.7211 -2.6548 -2.6537 -2.4579 -2.4576 0.7311 0.7318 11.0342 11.0403 13.5311 13.5437 16.9344 16.9468 19.2922 19.2925 21.2874 21.2995 22.1997 22.2089 k = 0.0000 0.0000 0.2336 ( 1042 PWs) bands (ev): -3.4753 -3.4719 -3.4446 -3.4238 -3.2792 -3.2458 -2.7325 -2.7225 -2.6548 -2.6539 -2.4578 -2.4576 0.7027 0.7033 11.2754 11.2814 13.2763 13.2869 16.9376 16.9467 19.2979 19.2981 21.3255 21.3356 22.1491 22.1571 k = 0.0000 0.0000 0.2414 ( 1040 PWs) bands (ev): -3.4636 -3.4614 -3.4448 -3.4245 -3.2793 -3.2551 -2.7309 -2.7241 -2.6547 -2.6541 -2.4578 -2.4576 0.6824 0.6828 11.4955 11.5009 13.0471 13.0555 16.9403 16.9462 19.3020 19.3021 21.3567 21.3641 22.1101 22.1162 k = 0.0000 0.0000 0.2491 ( 1040 PWs) bands (ev): -3.4579 -3.4541 -3.4412 -3.4277 -3.2766 -3.2638 -2.7292 -2.7258 -2.6546 -2.6543 -2.4577 -2.4576 0.6702 0.6704 11.6675 11.6711 12.8712 12.8763 16.9425 16.9455 19.3045 19.3046 21.3780 21.3819 22.0858 22.0891 k = 0.0000 0.0000 0.2569 ( 1040 PWs) bands (ev): -3.4545 -3.4545 -3.4338 -3.4338 -3.2712 -3.2712 -2.7275 -2.7275 -2.6545 -2.6545 -2.4577 -2.4577 0.6662 0.6662 11.7389 11.7389 12.8020 12.8020 16.9442 16.9442 19.3054 19.3054 21.3868 21.3868 22.0786 22.0786 k = 0.0000 0.0000 0.2569 ( 1040 PWs) bands (ev): -3.4545 -3.4545 -3.4338 -3.4338 -3.2712 -3.2712 -2.7275 -2.7275 -2.6545 -2.6545 -2.4577 -2.4577 0.6662 0.6662 11.7389 11.7389 12.8020 12.8020 16.9442 16.9442 19.3054 19.3054 21.3868 21.3868 22.0786 22.0786 k = 0.0078-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.4548 -3.4528 -3.4350 -3.4309 -3.2721 -3.2699 -2.7281 -2.7268 -2.6548 -2.6542 -2.4582 -2.4574 0.6676 0.6677 11.7400 11.7402 12.8033 12.8037 16.9453 16.9456 19.2734 19.2740 21.4014 21.4021 22.0801 22.0803 k = 0.0156-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.4539 -3.4498 -3.4345 -3.4262 -3.2727 -3.2683 -2.7287 -2.7260 -2.6553 -2.6540 -2.4590 -2.4574 0.6720 0.6720 11.7434 11.7438 12.8075 12.8083 16.9488 16.9494 19.1819 19.1831 21.4427 21.4441 22.0848 22.0852 k = 0.0234-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.4520 -3.4459 -3.4321 -3.4194 -3.2730 -3.2661 -2.7293 -2.7252 -2.6559 -2.6539 -2.4601 -2.4577 0.6792 0.6793 11.7492 11.7497 12.8146 12.8158 16.9546 16.9556 19.0401 19.0416 21.5032 21.5050 22.0926 22.0934 k = 0.0312-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.4494 -3.4419 -3.4269 -3.4103 -3.2730 -3.2633 -2.7297 -2.7243 -2.6565 -2.6539 -2.4614 -2.4582 0.6893 0.6895 11.7573 11.7580 12.8246 12.8263 16.9628 16.9642 18.8585 18.8604 21.5743 21.5765 22.1034 22.1047 k = 0.0391-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.4461 -3.4382 -3.4189 -3.3988 -3.2727 -3.2599 -2.7302 -2.7234 -2.6572 -2.6539 -2.4630 -2.4589 0.7024 0.7025 11.7678 11.7686 12.8375 12.8396 16.9731 16.9749 18.6471 18.6491 21.6493 21.6516 22.1172 22.1192 k = 0.0469-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.4423 -3.4346 -3.4084 -3.3848 -3.2721 -3.2555 -2.7306 -2.7223 -2.6579 -2.6540 -2.4649 -2.4599 0.7183 0.7185 11.7805 11.7815 12.8532 12.8557 16.9853 16.9876 18.4136 18.4157 21.7238 21.7263 22.1335 22.1369 k = 0.0547-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.4381 -3.4308 -3.3961 -3.3683 -3.2713 -3.2499 -2.7310 -2.7213 -2.6585 -2.6541 -2.4671 -2.4610 0.7372 0.7374 11.7956 11.7967 12.8717 12.8747 16.9990 17.0018 18.1645 18.1665 21.7957 21.7981 22.1518 22.1576 k = 0.0625-0.0000 0.2569 ( 1054 PWs) bands (ev): -3.4335 -3.4266 -3.3826 -3.3493 -3.2703 -3.2429 -2.7314 -2.7201 -2.6590 -2.6541 -2.4694 -2.4623 0.7590 0.7592 11.8128 11.8141 12.8929 12.8964 17.0128 17.0164 17.9053 17.9070 21.8639 21.8662 22.1698 22.1809 k = 0.0703-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.4285 -3.4220 -3.3683 -3.3278 -3.2689 -3.2339 -2.7317 -2.7189 -2.6593 -2.6540 -2.4720 -2.4636 0.7837 0.7840 11.8324 11.8338 12.9167 12.9207 17.0232 17.0280 17.6428 17.6438 21.9284 21.9306 22.1780 22.2045 k = 0.0781-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.4231 -3.4170 -3.3540 -3.3041 -3.2673 -3.2223 -2.7321 -2.7177 -2.6592 -2.6537 -2.4749 -2.4651 0.8113 0.8117 11.8541 11.8558 12.9430 12.9475 17.0161 17.0234 17.3928 17.3937 21.9888 21.9914 22.1016 22.1587 k = 0.0859-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.4175 -3.4117 -3.3404 -3.2782 -3.2653 -3.2077 -2.7324 -2.7166 -2.6587 -2.6532 -2.4779 -2.4666 0.8420 0.8424 11.8781 11.8799 12.9715 12.9766 16.9262 16.9362 17.2223 17.2253 21.8480 21.8710 22.0504 22.0521 k = 0.0938-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.4116 -3.4061 -3.3278 -3.2636 -3.2496 -3.1896 -2.7327 -2.7155 -2.6574 -2.6524 -2.4811 -2.4680 0.8755 0.8760 11.9041 11.9061 13.0022 13.0080 16.7029 16.7116 17.1887 17.1896 21.5531 21.5660 22.1070 22.1084 k = 0.1016-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.4055 -3.4003 -3.3167 -3.2611 -3.2196 -3.1679 -2.7330 -2.7147 -2.6553 -2.6512 -2.4846 -2.4693 0.9121 0.9126 11.9322 11.9344 13.0347 13.0411 16.4321 16.4400 17.2025 17.2031 21.2491 21.2578 22.1629 22.1641 k = 0.1094-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.3992 -3.3943 -3.3069 -3.2584 -3.1878 -3.1430 -2.7333 -2.7141 -2.6518 -2.6495 -2.4881 -2.4703 0.9516 0.9522 11.9623 11.9647 13.0684 13.0758 16.1498 16.1577 17.2290 17.2305 20.9423 20.9486 22.2182 22.2192 k = 0.1172-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.3928 -3.3882 -3.2982 -3.2554 -3.1544 -3.1153 -2.7335 -2.7138 -2.6472 -2.6468 -2.4917 -2.4709 0.9942 0.9947 11.9944 11.9969 13.1029 13.1112 15.8646 15.8729 17.2619 17.2640 20.6348 20.6396 22.2735 22.2742 k = 0.1250-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.3864 -3.3821 -3.2903 -3.2521 -3.1199 -3.0854 -2.7338 -2.7138 -2.6442 -2.6399 -2.4952 -2.4707 1.0397 1.0403 12.0283 12.0310 13.1371 13.1465 15.5803 15.5892 17.2990 17.3016 20.3276 20.3314 22.3290 22.3295 k = 0.1328-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3800 -3.3760 -3.2830 -3.2484 -3.0847 -3.0541 -2.7339 -2.7142 -2.6402 -2.6305 -2.4987 -2.4696 1.0883 1.0889 12.0639 12.0668 13.1694 13.1802 15.2996 15.3095 17.3395 17.3425 20.0214 20.0244 22.3852 22.3854 k = 0.1406-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3737 -3.3700 -3.2760 -3.2445 -3.0493 -3.0223 -2.7340 -2.7148 -2.6353 -2.6183 -2.5018 -2.4669 1.1399 1.1406 12.1011 12.1042 13.1974 13.2098 15.0258 15.0371 17.3829 17.3863 19.7167 19.7192 22.4422 22.4422 k = 0.1484-0.0000 0.2569 ( 1052 PWs) bands (ev): -3.3676 -3.3643 -3.2693 -3.2403 -3.0144 -2.9909 -2.7341 -2.7158 -2.6294 -2.6032 -2.5041 -2.4621 1.1945 1.1953 12.1396 12.1430 13.2165 13.2310 14.7639 14.7768 17.4291 17.4329 19.4140 19.4159 22.5001 22.5004 k = 0.1562-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.3617 -3.3587 -3.2627 -3.2358 -2.9808 -2.9607 -2.7342 -2.7169 -2.6227 -2.5853 -2.5046 -2.4541 1.2523 1.2530 12.1794 12.1831 13.2190 13.2359 14.5219 14.5370 17.4779 17.4820 19.1138 19.1153 22.5592 22.5598 k = 0.1641-0.0000 0.2569 ( 1056 PWs) bands (ev): -3.3559 -3.3533 -3.2560 -3.2311 -2.9493 -2.9327 -2.7342 -2.7182 -2.6155 -2.5669 -2.5001 -2.4416 1.3130 1.3139 12.2200 12.2240 13.1923 13.2114 14.3135 14.3306 17.5292 17.5336 18.8164 18.8175 22.6198 22.6206 k = 0.1719-0.0000 0.2569 ( 1058 PWs) bands (ev): -3.3504 -3.3483 -3.2494 -3.2262 -2.9207 -2.9075 -2.7341 -2.7196 -2.6085 -2.5535 -2.4847 -2.4232 1.3769 1.3777 12.2610 12.2654 13.1195 13.1395 14.1573 14.1752 17.5829 17.5876 18.5223 18.5231 22.6818 22.6829 k = 0.1797-0.0000 0.2569 ( 1054 PWs) bands (ev): -3.3452 -3.3434 -3.2428 -3.2211 -2.8955 -2.8854 -2.7340 -2.7209 -2.6023 -2.5483 -2.4547 -2.3977 1.4438 1.4447 12.3017 12.3065 12.9893 13.0079 14.0660 14.0824 17.6389 17.6439 18.2320 18.2324 22.7454 22.7468 k = 0.1875-0.0000 0.2569 ( 1054 PWs) bands (ev): -3.3403 -3.3390 -3.2362 -3.2159 -2.8740 -2.8665 -2.7339 -2.7223 -2.5976 -2.5484 -2.4131 -2.3642 1.5138 1.5148 12.3397 12.3454 12.8090 12.8243 14.0338 14.0472 17.6972 17.7025 17.9458 17.9459 22.8105 22.8122 k = 0.1953-0.0000 0.2569 ( 1050 PWs) bands (ev): -3.3357 -3.3347 -3.2297 -3.2107 -2.8559 -2.8505 -2.7338 -2.7236 -2.5943 -2.5507 -2.3633 -2.3226 1.5869 1.5880 12.3648 12.3726 12.6048 12.6154 14.0430 14.0534 17.6641 17.6641 17.7577 17.7636 22.8773 22.8792 k = 0.2031-0.0000 0.2569 ( 1054 PWs) bands (ev): -3.3314 -3.3308 -3.2234 -3.2055 -2.8410 -2.8370 -2.7337 -2.7249 -2.5925 -2.5540 -2.3069 -2.2735 1.6632 1.6642 12.2845 12.2973 12.4835 12.4870 14.0782 14.0861 17.3876 17.3881 17.8203 17.8264 22.9455 22.9477 k = 0.2109-0.0000 0.2569 ( 1046 PWs) bands (ev): -3.3272 -3.3270 -3.2173 -3.2005 -2.8285 -2.8256 -2.7337 -2.7261 -2.5917 -2.5578 -2.2450 -2.2175 1.7425 1.7436 12.0564 12.0673 12.4964 12.5004 14.1300 14.1358 17.1175 17.1183 17.8850 17.8914 23.0152 23.0177 k = 0.2188-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3236 -3.3234 -3.2114 -3.1956 -2.8180 -2.8157 -2.7338 -2.7272 -2.5919 -2.5619 -2.1781 -2.1554 1.8249 1.8261 11.8005 11.8097 12.5282 12.5329 14.1928 14.1970 16.8543 16.8554 17.9518 17.9585 23.0863 23.0890 k = 0.2266-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3204 -3.3199 -3.2059 -3.1911 -2.8090 -2.8072 -2.7341 -2.7283 -2.5928 -2.5660 -2.1068 -2.0880 1.9105 1.9117 11.5376 11.5456 12.5603 12.5655 14.2637 14.2665 16.5994 16.6008 18.0204 18.0275 23.1586 23.1616 k = 0.2344-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3174 -3.3166 -3.2007 -3.1868 -2.8010 -2.7995 -2.7345 -2.7292 -2.5940 -2.5700 -2.0316 -2.0158 1.9991 2.0004 11.2722 11.2792 12.5889 12.5945 14.3407 14.3425 16.3541 16.3559 18.0909 18.0983 23.2319 23.2351 k = 0.2422-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3145 -3.3135 -3.1960 -3.1830 -2.7938 -2.7927 -2.7351 -2.7299 -2.5954 -2.5740 -1.9526 -1.9393 2.0908 2.0921 11.0061 11.0123 12.6114 12.6175 14.4229 14.4237 16.1203 16.1225 18.1632 18.1709 23.3059 23.3094 k = 0.2500-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.3119 -3.3107 -3.1918 -3.1796 -2.7870 -2.7864 -2.7359 -2.7305 -2.5970 -2.5778 -1.8702 -1.8589 2.1857 2.1870 10.7405 10.7461 12.6256 12.6321 14.5092 14.5093 15.9001 15.9027 18.2371 18.2452 23.3802 23.3841 k = 0.2578-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.3094 -3.3080 -3.1880 -3.1766 -2.7807 -2.7805 -2.7368 -2.7307 -2.5985 -2.5814 -1.7846 -1.7750 2.2836 2.2850 10.4761 10.4812 12.6286 12.6355 14.5986 14.5994 15.6962 15.6992 18.3127 18.3211 23.4545 23.4586 k = 0.2656-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.3071 -3.3054 -3.1848 -3.1741 -2.7756 -2.7742 -2.7380 -2.7307 -2.6000 -2.5848 -1.6960 -1.6876 2.3846 2.3860 10.2134 10.2181 12.6175 12.6248 14.6914 14.6929 15.5115 15.5150 18.3897 18.3985 23.5279 23.5323 k = 0.2734-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.3049 -3.3031 -3.1821 -3.1722 -2.7712 -2.7680 -2.7393 -2.7301 -2.6013 -2.5879 -1.6044 -1.5972 2.4886 2.4901 9.9528 9.9571 12.5891 12.5968 14.7870 14.7894 15.3493 15.3532 18.4681 18.4773 23.5995 23.6043 k = 0.2812-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.3028 -3.3009 -3.1799 -3.1706 -2.7676 -2.7618 -2.7408 -2.7288 -2.6023 -2.5907 -1.5100 -1.5037 2.5957 2.5972 9.6946 9.6986 12.5406 12.5484 14.8848 14.8882 15.2128 15.2174 18.5477 18.5573 23.6683 23.6734 k = 0.2891-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.3008 -3.2988 -3.1782 -3.1696 -2.7650 -2.7559 -2.7423 -2.7268 -2.6031 -2.5931 -1.4130 -1.4075 2.7058 2.7074 9.4389 9.4427 12.4696 12.4776 14.9811 14.9868 15.1068 15.1132 18.6284 18.6384 23.7323 23.7377 k = 0.2969-0.0000 0.2569 ( 1036 PWs) bands (ev): -3.2990 -3.2968 -3.1770 -3.1691 -2.7633 -2.7507 -2.7433 -2.7239 -2.6036 -2.5951 -1.3134 -1.3086 2.8188 2.8205 9.1862 9.1896 12.3753 12.3832 15.0096 15.0114 15.1055 15.1076 18.7101 18.7205 23.7892 23.7949 k = 0.3047-0.0000 0.2569 ( 1036 PWs) bands (ev): -3.2973 -3.2950 -3.1762 -3.1690 -2.7626 -2.7489 -2.7412 -2.7203 -2.6037 -2.5967 -1.2114 -1.2072 2.9348 2.9365 8.9364 8.9397 12.2580 12.2657 14.9629 14.9641 15.2060 15.2076 18.7926 18.8035 23.8357 23.8416 k = 0.3125-0.0000 0.2569 ( 1036 PWs) bands (ev): -3.2956 -3.2934 -3.1759 -3.1692 -2.7627 -2.7503 -2.7361 -2.7161 -2.6035 -2.5979 -1.1071 -1.1034 3.0537 3.0555 8.6898 8.6929 12.1197 12.1272 14.9362 14.9378 15.3133 15.3160 18.8757 18.8870 23.8665 23.8729 k = 0.3203-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2941 -3.2918 -3.1760 -3.1699 -2.7633 -2.7524 -2.7305 -2.7117 -2.6029 -2.5986 -1.0006 -0.9974 3.1755 3.1773 8.4467 8.4496 11.9632 11.9704 14.9320 14.9335 15.4235 15.4269 18.9593 18.9711 23.7556 23.8077 k = 0.3281-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2927 -3.2903 -3.1765 -3.1709 -2.7644 -2.7549 -2.7249 -2.7071 -2.6019 -2.5988 -0.8921 -0.8892 3.3001 3.3019 8.2071 8.2098 11.7917 11.7985 14.9473 14.9486 15.5359 15.5398 19.0431 19.0553 23.5522 23.5921 k = 0.3359-0.0000 0.2569 ( 1034 PWs) bands (ev): -3.2913 -3.2889 -3.1771 -3.1720 -2.7658 -2.7574 -2.7195 -2.7026 -2.6004 -2.5984 -0.7817 -0.7791 3.4274 3.4292 7.9712 7.9738 11.6083 11.6148 14.9790 14.9801 15.6501 15.6544 19.1269 19.1397 23.3413 23.3728 k = 0.3438-0.0000 0.2569 ( 1034 PWs) bands (ev): -3.2901 -3.2877 -3.1781 -3.1735 -2.7675 -2.7600 -2.7143 -2.6982 -2.5986 -2.5976 -0.6695 -0.6673 3.5574 3.5593 7.7393 7.7417 11.4158 11.4220 15.0243 15.0250 15.7658 15.7705 19.2105 19.2238 23.1286 23.1545 k = 0.3516-0.0000 0.2569 ( 1036 PWs) bands (ev): -3.2890 -3.2866 -3.1793 -3.1752 -2.7693 -2.7627 -2.7095 -2.6941 -2.5964 -2.5962 -0.5558 -0.5539 3.6899 3.6919 7.5116 7.5139 11.2167 11.2226 15.0806 15.0810 15.8827 15.8878 19.2936 19.3075 22.9170 22.9388 k = 0.3594-0.0000 0.2569 ( 1032 PWs) bands (ev): -3.2879 -3.2855 -3.1806 -3.1769 -2.7713 -2.7654 -2.7050 -2.6904 -2.5943 -2.5939 -0.4408 -0.4391 3.8249 3.8269 7.2883 7.2905 11.0130 11.0185 15.1459 15.1460 16.0007 16.0060 19.3760 19.3904 22.7080 22.7268 k = 0.3672-0.0000 0.2569 ( 1032 PWs) bands (ev): -3.2869 -3.2845 -3.1821 -3.1788 -2.7733 -2.7681 -2.7008 -2.6870 -2.5920 -2.5911 -0.3247 -0.3232 3.9623 3.9643 7.0697 7.0717 10.8062 10.8115 15.2181 15.2182 16.1192 16.1249 19.4573 19.4724 22.5026 22.5191 k = 0.3750-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2861 -3.2838 -3.1838 -3.1808 -2.7755 -2.7708 -2.6971 -2.6841 -2.5894 -2.5880 -0.2079 -0.2066 4.1018 4.1039 6.8561 6.8580 10.5978 10.6028 15.2958 15.2962 16.2381 16.2441 19.5372 19.5529 22.3016 22.3162 k = 0.3828-0.0000 0.2569 ( 1042 PWs) bands (ev): -3.2852 -3.2830 -3.1854 -3.1828 -2.7775 -2.7734 -2.6936 -2.6815 -2.5863 -2.5847 -0.0906 -0.0895 4.2434 4.2454 6.6479 6.6497 10.3889 10.3937 15.3779 15.3785 16.3570 16.3632 19.6154 19.6318 22.1057 22.1187 k = 0.3906-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2845 -3.2823 -3.1871 -3.1848 -2.7796 -2.7759 -2.6905 -2.6792 -2.5830 -2.5813 0.0267 0.0276 4.3866 4.3887 6.4455 6.4472 10.1805 10.1851 15.4633 15.4641 16.4754 16.4818 19.6916 19.7086 21.9155 21.9272 k = 0.3984-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2838 -3.2816 -3.1888 -3.1868 -2.7816 -2.7783 -2.6878 -2.6774 -2.5795 -2.5778 0.1435 0.1443 4.5314 4.5335 6.2495 6.2511 9.9735 9.9779 15.5507 15.5516 16.5928 16.5993 19.7653 19.7830 21.7317 21.7423 k = 0.4062-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2831 -3.2811 -3.1905 -3.1888 -2.7835 -2.7807 -2.6853 -2.6758 -2.5760 -2.5743 0.2593 0.2600 4.6772 4.6793 6.0604 6.0619 9.7687 9.7728 15.6391 15.6402 16.7085 16.7152 19.8362 19.8545 21.5549 21.5645 k = 0.4141-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2825 -3.2806 -3.1921 -3.1906 -2.7853 -2.7828 -2.6831 -2.6745 -2.5725 -2.5708 0.3734 0.3739 4.8235 4.8257 5.8790 5.8804 9.5669 9.5709 15.7277 15.7289 16.8220 16.8287 19.9038 19.9227 21.3861 21.3947 k = 0.4219-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2820 -3.2802 -3.1937 -3.1924 -2.7870 -2.7848 -2.6811 -2.6734 -2.5690 -2.5674 0.4849 0.4853 4.9696 4.9718 5.7064 5.7076 9.3691 9.3729 15.8151 15.8163 16.9323 16.9391 19.9678 19.9872 21.2258 21.2336 k = 0.4297-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2815 -3.2798 -3.1951 -3.1940 -2.7886 -2.7867 -2.6794 -2.6725 -2.5657 -2.5643 0.5929 0.5933 5.1140 5.1161 5.5441 5.5452 9.1763 9.1799 15.9003 15.9016 17.0386 17.0452 20.0277 20.0475 21.0752 21.0822 k = 0.4375-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2811 -3.2796 -3.1965 -3.1955 -2.7901 -2.7885 -2.6779 -2.6718 -2.5626 -2.5613 0.6963 0.6965 5.2499 5.2516 5.3994 5.4002 8.9898 8.9931 15.9820 15.9833 17.1397 17.1461 20.0831 20.1031 20.9353 20.9415 k = 0.4453-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2807 -3.2793 -3.1977 -3.1969 -2.7914 -2.7900 -2.6765 -2.6713 -2.5598 -2.5586 0.7937 0.7939 5.2347 5.2356 5.4139 5.4159 8.8111 8.8142 16.0591 16.0604 17.2343 17.2405 20.1337 20.1535 20.8072 20.8126 k = 0.4531-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2804 -3.2792 -3.1987 -3.1981 -2.7925 -2.7914 -2.6753 -2.6709 -2.5572 -2.5562 0.8836 0.8837 5.1126 5.1135 5.5438 5.5458 8.6423 8.6452 16.1301 16.1313 17.3212 17.3269 20.1790 20.1982 20.6922 20.6968 k = 0.4609-0.0000 0.2569 ( 1044 PWs) bands (ev): -3.2801 -3.2791 -3.1997 -3.1992 -2.7935 -2.7926 -2.6743 -2.6707 -2.5549 -2.5541 0.9643 0.9644 5.0010 5.0017 5.6707 5.6725 8.4862 8.4888 16.1936 16.1947 17.3987 17.4038 20.2188 20.2368 20.5917 20.5955 k = 0.4688-0.0000 0.2569 ( 1036 PWs) bands (ev): -3.2798 -3.2790 -3.2004 -3.2000 -2.7942 -2.7935 -2.6734 -2.6705 -2.5530 -2.5524 1.0339 1.0340 4.9054 4.9060 5.7871 5.7887 8.3465 8.3488 16.2481 16.2491 17.4652 17.4696 20.2526 20.2688 20.5070 20.5099 k = 0.4766-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2796 -3.2790 -3.2010 -3.2007 -2.7948 -2.7943 -2.6726 -2.6705 -2.5515 -2.5510 1.0906 1.0906 4.8284 4.8289 5.8877 5.8890 8.2280 8.2298 16.2923 16.2931 17.5192 17.5227 20.2802 20.2937 20.4394 20.4414 k = 0.4844-0.0000 0.2569 ( 1040 PWs) bands (ev): -3.2794 -3.2790 -3.2014 -3.2012 -2.7952 -2.7949 -2.6720 -2.6705 -2.5504 -2.5501 1.1326 1.1327 4.7719 4.7722 5.9665 5.9675 8.1366 8.1378 16.3250 16.3255 17.5592 17.5616 20.3014 20.3114 20.3900 20.3910 k = 0.4922-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.2793 -3.2791 -3.2017 -3.2016 -2.7955 -2.7953 -2.6715 -2.6708 -2.5498 -2.5496 1.1585 1.1585 4.7373 4.7375 6.0174 6.0179 8.0784 8.0791 16.3450 16.3453 17.5840 17.5852 20.3162 20.3219 20.3593 20.3594 k = 0.5000-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.2792 -3.2792 -3.2018 -3.2018 -2.7955 -2.7955 -2.6711 -2.6711 -2.5495 -2.5495 1.1672 1.1672 4.7257 4.7257 6.0352 6.0352 8.0586 8.0586 16.3519 16.3519 17.5928 17.5928 20.3240 20.3240 20.3481 20.3481 k = 0.5000-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.2792 -3.2792 -3.2018 -3.2018 -2.7955 -2.7955 -2.6711 -2.6711 -2.5495 -2.5495 1.1672 1.1672 4.7257 4.7257 6.0352 6.0352 8.0586 8.0586 16.3519 16.3519 17.5928 17.5928 20.3240 20.3240 20.3481 20.3481 k = 0.5000 0.0079 0.2569 ( 1048 PWs) bands (ev): -3.2790 -3.2790 -3.2017 -3.2017 -2.7956 -2.7956 -2.6712 -2.6712 -2.5495 -2.5495 1.1688 1.1688 4.7270 4.7270 6.0365 6.0365 8.0603 8.0603 16.3528 16.3528 17.5940 17.5940 20.3072 20.3072 20.3492 20.3492 k = 0.5000 0.0158 0.2569 ( 1048 PWs) bands (ev): -3.2783 -3.2783 -3.2016 -3.2016 -2.7959 -2.7959 -2.6715 -2.6715 -2.5496 -2.5496 1.1734 1.1734 4.7309 4.7309 6.0406 6.0406 8.0653 8.0653 16.3555 16.3555 17.5975 17.5975 20.2572 20.2572 20.3526 20.3526 k = 0.5000 0.0237 0.2569 ( 1044 PWs) bands (ev): -3.2773 -3.2773 -3.2014 -3.2014 -2.7964 -2.7964 -2.6719 -2.6719 -2.5495 -2.5495 1.1811 1.1811 4.7373 4.7373 6.0473 6.0473 8.0736 8.0736 16.3600 16.3600 17.6033 17.6033 20.1757 20.1757 20.3583 20.3583 k = 0.5000 0.0316 0.2569 ( 1048 PWs) bands (ev): -3.2760 -3.2760 -3.2012 -3.2012 -2.7971 -2.7971 -2.6725 -2.6725 -2.5496 -2.5496 1.1919 1.1919 4.7462 4.7462 6.0567 6.0567 8.0852 8.0852 16.3662 16.3662 17.6111 17.6111 20.0656 20.0656 20.3662 20.3662 k = 0.5000 0.0395 0.2569 ( 1048 PWs) bands (ev): -3.2742 -3.2742 -3.2008 -3.2008 -2.7979 -2.7979 -2.6733 -2.6733 -2.5496 -2.5496 1.2058 1.2058 4.7577 4.7577 6.0687 6.0687 8.1001 8.1001 16.3742 16.3742 17.6208 17.6208 19.9302 19.9302 20.3763 20.3763 k = 0.5000 0.0474 0.2569 ( 1048 PWs) bands (ev): -3.2721 -3.2721 -3.2005 -3.2005 -2.7990 -2.7990 -2.6743 -2.6743 -2.5496 -2.5496 1.2228 1.2228 4.7717 4.7717 6.0835 6.0835 8.1184 8.1184 16.3839 16.3839 17.6319 17.6319 19.7731 19.7731 20.3886 20.3886 k = 0.5000 0.0553 0.2569 ( 1052 PWs) bands (ev): -3.2697 -3.2697 -3.2000 -3.2000 -2.8001 -2.8001 -2.6755 -2.6755 -2.5496 -2.5496 1.2428 1.2428 4.7883 4.7883 6.1009 6.1009 8.1399 8.1399 16.3953 16.3953 17.6439 17.6439 19.5983 19.5983 20.4030 20.4030 k = 0.5000 0.0632 0.2569 ( 1052 PWs) bands (ev): -3.2670 -3.2670 -3.1995 -3.1995 -2.8014 -2.8014 -2.6769 -2.6769 -2.5495 -2.5495 1.2658 1.2658 4.8074 4.8074 6.1211 6.1211 8.1647 8.1647 16.4083 16.4083 17.6557 17.6557 19.4099 19.4099 20.4194 20.4194 k = 0.5000 0.0711 0.2569 ( 1048 PWs) bands (ev): -3.2641 -3.2641 -3.1989 -3.1989 -2.8028 -2.8028 -2.6785 -2.6785 -2.5492 -2.5492 1.2920 1.2920 4.8290 4.8290 6.1439 6.1439 8.1927 8.1927 16.4228 16.4228 17.6658 17.6658 19.2123 19.2123 20.4377 20.4377 k = 0.5000 0.0790 0.2569 ( 1048 PWs) bands (ev): -3.2610 -3.2610 -3.1982 -3.1982 -2.8042 -2.8042 -2.6803 -2.6803 -2.5489 -2.5489 1.3211 1.3211 4.8531 4.8531 6.1695 6.1695 8.2240 8.2240 16.4388 16.4388 17.6714 17.6714 19.0108 19.0108 20.4578 20.4578 k = 0.5000 0.0869 0.2569 ( 1048 PWs) bands (ev): -3.2577 -3.2577 -3.1975 -3.1975 -2.8057 -2.8057 -2.6823 -2.6823 -2.5483 -2.5483 1.3533 1.3533 4.8797 4.8797 6.1977 6.1977 8.2585 8.2585 16.4562 16.4562 17.6676 17.6676 18.8123 18.8123 20.4796 20.4796 k = 0.5000 0.0948 0.2569 ( 1048 PWs) bands (ev): -3.2543 -3.2543 -3.1968 -3.1968 -2.8072 -2.8072 -2.6845 -2.6845 -2.5477 -2.5477 1.3886 1.3886 4.9088 4.9088 6.2288 6.2288 8.2962 8.2962 16.4747 16.4747 17.6460 17.6460 18.6274 18.6274 20.5030 20.5030 k = 0.5000 0.1027 0.2569 ( 1048 PWs) bands (ev): -3.2508 -3.2508 -3.1960 -3.1960 -2.8087 -2.8087 -2.6869 -2.6869 -2.5468 -2.5468 1.4268 1.4268 4.9403 4.9403 6.2625 6.2625 8.3371 8.3371 16.4942 16.4942 17.5930 17.5930 18.4710 18.4710 20.5276 20.5276 k = 0.5000 0.1106 0.2569 ( 1048 PWs) bands (ev): -3.2473 -3.2473 -3.1952 -3.1952 -2.8101 -2.8101 -2.6895 -2.6895 -2.5457 -2.5457 1.4681 1.4681 4.9743 4.9743 6.2990 6.2990 8.3811 8.3811 16.5142 16.5142 17.4940 17.4940 18.3595 18.3595 20.5532 20.5532 k = 0.5000 0.1185 0.2569 ( 1048 PWs) bands (ev): -3.2439 -3.2439 -3.1944 -3.1944 -2.8115 -2.8115 -2.6922 -2.6922 -2.5443 -2.5443 1.5123 1.5123 5.0106 5.0106 6.3382 6.3382 8.4283 8.4283 16.5339 16.5339 17.3451 17.3451 18.2986 18.2986 20.5796 20.5796 k = 0.5000 0.1264 0.2569 ( 1048 PWs) bands (ev): -3.2405 -3.2405 -3.1937 -3.1937 -2.8127 -2.8127 -2.6951 -2.6951 -2.5427 -2.5427 1.5595 1.5595 5.0494 5.0494 6.3802 6.3802 8.4785 8.4785 16.5516 16.5516 17.1579 17.1579 18.2790 18.2790 20.6064 20.6064 k = 0.5000 0.1343 0.2569 ( 1048 PWs) bands (ev): -3.2373 -3.2373 -3.1930 -3.1930 -2.8139 -2.8139 -2.6981 -2.6981 -2.5407 -2.5407 1.6097 1.6097 5.0905 5.0905 6.4249 6.4249 8.5317 8.5317 16.5611 16.5611 16.9528 16.9528 18.2873 18.2873 20.6332 20.6332 k = 0.5000 0.1422 0.2569 ( 1048 PWs) bands (ev): -3.2342 -3.2342 -3.1924 -3.1924 -2.8148 -2.8148 -2.7011 -2.7011 -2.5385 -2.5385 1.6628 1.6628 5.1339 5.1339 6.4724 6.4724 8.5880 8.5880 16.5309 16.5309 16.7714 16.7714 18.3135 18.3135 20.6593 20.6593 k = 0.5000 0.1501 0.2569 ( 1048 PWs) bands (ev): -3.2312 -3.2312 -3.1919 -3.1919 -2.8157 -2.8157 -2.7042 -2.7042 -2.5360 -2.5360 1.7189 1.7189 5.1796 5.1796 6.5227 6.5227 8.6472 8.6472 16.3788 16.3788 16.7022 16.7022 18.3518 18.3518 20.6841 20.6841 k = 0.5000 0.1580 0.2569 ( 1048 PWs) bands (ev): -3.2285 -3.2285 -3.1916 -3.1916 -2.8164 -2.8164 -2.7072 -2.7072 -2.5331 -2.5331 1.7779 1.7779 5.2276 5.2276 6.5758 6.5758 8.7094 8.7094 16.1500 16.1500 16.7036 16.7036 18.3987 18.3987 20.7067 20.7067 k = 0.5000 0.1659 0.2569 ( 1044 PWs) bands (ev): -3.2260 -3.2260 -3.1914 -3.1914 -2.8169 -2.8169 -2.7101 -2.7101 -2.5299 -2.5299 1.8398 1.8398 5.2778 5.2778 6.6317 6.6317 8.7745 8.7745 15.9019 15.9019 16.7201 16.7201 18.4523 18.4523 20.7260 20.7260 k = 0.5000 0.1738 0.2569 ( 1044 PWs) bands (ev): -3.2237 -3.2237 -3.1915 -3.1915 -2.8174 -2.8174 -2.7129 -2.7129 -2.5264 -2.5264 1.9046 1.9046 5.3301 5.3301 6.6904 6.6904 8.8424 8.8424 15.6471 15.6471 16.7401 16.7401 18.5113 18.5113 20.6074 20.6074 k = 0.5000 0.1817 0.2569 ( 1044 PWs) bands (ev): -3.2216 -3.2216 -3.1920 -3.1920 -2.8179 -2.8179 -2.7154 -2.7154 -2.5225 -2.5225 1.9723 1.9723 5.3846 5.3846 6.7520 6.7520 8.9131 8.9131 15.3893 15.3893 16.7606 16.7606 18.5750 18.5750 20.4231 20.4231 k = 0.5000 0.1896 0.2569 ( 1044 PWs) bands (ev): -3.2197 -3.2197 -3.1927 -3.1927 -2.8183 -2.8183 -2.7176 -2.7176 -2.5183 -2.5183 2.0429 2.0429 5.4411 5.4411 6.8163 6.8163 8.9866 8.9866 15.1302 15.1302 16.7797 16.7797 18.6428 18.6428 20.2255 20.2255 k = 0.5000 0.1975 0.2569 ( 1044 PWs) bands (ev): -3.2180 -3.2180 -3.1938 -3.1938 -2.8189 -2.8189 -2.7193 -2.7193 -2.5138 -2.5138 2.1162 2.1162 5.4996 5.4996 6.8835 6.8835 9.0627 9.0627 14.8707 14.8707 16.7961 16.7961 18.7144 18.7144 20.0179 20.0179 k = 0.5000 0.2054 0.2569 ( 1052 PWs) bands (ev): -3.2166 -3.2166 -3.1954 -3.1954 -2.8196 -2.8196 -2.7207 -2.7207 -2.5089 -2.5089 2.1924 2.1924 5.5601 5.5601 6.9534 6.9534 9.1415 9.1415 14.6115 14.6115 16.8085 16.8085 18.7894 18.7894 19.8030 19.8030 k = 0.5000 0.2133 0.2569 ( 1052 PWs) bands (ev): -3.2153 -3.2153 -3.1972 -3.1972 -2.8205 -2.8205 -2.7215 -2.7215 -2.5037 -2.5037 2.2715 2.2715 5.6225 5.6225 7.0263 7.0263 9.2228 9.2228 14.3531 14.3531 16.8154 16.8154 18.8675 18.8675 19.5832 19.5832 k = 0.5000 0.2212 0.2569 ( 1056 PWs) bands (ev): -3.2142 -3.2142 -3.1995 -3.1995 -2.8217 -2.8217 -2.7217 -2.7217 -2.4981 -2.4981 2.3532 2.3532 5.6866 5.6866 7.1019 7.1019 9.3067 9.3067 14.0958 14.0958 16.8149 16.8149 18.9484 18.9484 19.3603 19.3603 k = 0.5000 0.2291 0.2569 ( 1052 PWs) bands (ev): -3.2132 -3.2132 -3.2021 -3.2021 -2.8231 -2.8231 -2.7213 -2.7213 -2.4921 -2.4921 2.4378 2.4378 5.7525 5.7525 7.1804 7.1804 9.3930 9.3930 13.8399 13.8399 16.8051 16.8051 19.0307 19.0307 19.1369 19.1369 k = 0.5000 0.2370 0.2569 ( 1052 PWs) bands (ev): -3.2123 -3.2123 -3.2050 -3.2050 -2.8248 -2.8248 -2.7204 -2.7204 -2.4859 -2.4859 2.5251 2.5251 5.8200 5.8200 7.2616 7.2616 9.4816 9.4816 13.5857 13.5857 16.7835 16.7835 18.9097 18.9097 19.1175 19.1175 k = 0.5000 0.2449 0.2569 ( 1048 PWs) bands (ev): -3.2117 -3.2117 -3.2082 -3.2082 -2.8269 -2.8269 -2.7189 -2.7189 -2.4793 -2.4793 2.6151 2.6151 5.8890 5.8890 7.3457 7.3457 9.5725 9.5725 13.3333 13.3333 16.7475 16.7475 18.6858 18.6858 19.1938 19.1938 k = 0.5000 0.2528 0.2569 ( 1048 PWs) bands (ev): -3.2122 -3.2122 -3.2107 -3.2107 -2.8292 -2.8292 -2.7169 -2.7169 -2.4724 -2.4724 2.7077 2.7077 5.9594 5.9594 7.4326 7.4326 9.6656 9.6656 13.0830 13.0830 16.6947 16.6947 18.4630 18.4630 19.1626 19.1626 k = 0.5000 0.2607 0.2569 ( 1048 PWs) bands (ev): -3.2158 -3.2158 -3.2105 -3.2105 -2.8318 -2.8318 -2.7146 -2.7146 -2.4653 -2.4653 2.8030 2.8030 6.0311 6.0311 7.5222 7.5222 9.7608 9.7608 12.8350 12.8350 16.6231 16.6231 18.2422 18.2422 19.0472 19.0472 k = 0.5000 0.2686 0.2569 ( 1048 PWs) bands (ev): -3.2198 -3.2198 -3.2102 -3.2102 -2.8346 -2.8346 -2.7120 -2.7120 -2.4579 -2.4579 2.9009 2.9009 6.1039 6.1039 7.6146 7.6146 9.8579 9.8579 12.5892 12.5892 16.5315 16.5315 18.0241 18.0241 18.9468 18.9468 k = 0.5000 0.2765 0.2569 ( 1048 PWs) bands (ev): -3.2241 -3.2241 -3.2100 -3.2100 -2.8375 -2.8375 -2.7090 -2.7090 -2.4503 -2.4503 3.0014 3.0014 6.1778 6.1778 7.7097 7.7097 9.9569 9.9569 12.3460 12.3460 16.4200 16.4200 17.8090 17.8090 18.8687 18.8687 k = 0.5000 0.2844 0.2569 ( 1048 PWs) bands (ev): -3.2285 -3.2285 -3.2099 -3.2099 -2.8405 -2.8405 -2.7059 -2.7059 -2.4425 -2.4425 3.1043 3.1043 6.2525 6.2525 7.8075 7.8075 10.0576 10.0576 12.1055 12.1055 16.2900 16.2900 17.5976 17.5976 18.8127 18.8127 k = 0.5000 0.2923 0.2569 ( 1052 PWs) bands (ev): -3.2330 -3.2330 -3.2099 -3.2099 -2.8436 -2.8436 -2.7027 -2.7027 -2.4346 -2.4346 3.2097 3.2097 6.3279 6.3279 7.9078 7.9078 10.1599 10.1599 11.8678 11.8678 16.1434 16.1434 17.3901 17.3901 18.7767 18.7767 k = 0.5000 0.3002 0.2569 ( 1056 PWs) bands (ev): -3.2378 -3.2378 -3.2100 -3.2100 -2.8468 -2.8468 -2.6995 -2.6995 -2.4265 -2.4265 3.3175 3.3175 6.4038 6.4038 8.0108 8.0108 10.2635 10.2635 11.6330 11.6330 15.9831 15.9831 17.1870 17.1870 18.7581 18.7581 k = 0.5000 0.3081 0.2569 ( 1056 PWs) bands (ev): -3.2424 -3.2424 -3.2101 -3.2101 -2.8498 -2.8498 -2.6962 -2.6962 -2.4184 -2.4184 3.4275 3.4275 6.4799 6.4799 8.1163 8.1163 10.3684 10.3684 11.4013 11.4013 15.8119 15.8119 16.9887 16.9887 18.7538 18.7538 k = 0.5000 0.3160 0.2569 ( 1056 PWs) bands (ev): -3.2471 -3.2471 -3.2104 -3.2104 -2.8529 -2.8529 -2.6929 -2.6929 -2.4102 -2.4102 3.5398 3.5398 6.5561 6.5561 8.2241 8.2241 10.4742 10.4742 11.1728 11.1728 15.6323 15.6323 16.7954 16.7954 18.7588 18.7588 k = 0.5000 0.3239 0.2569 ( 1052 PWs) bands (ev): -3.2518 -3.2518 -3.2107 -3.2107 -2.8558 -2.8558 -2.6896 -2.6896 -2.4021 -2.4021 3.6542 3.6542 6.6322 6.6322 8.3343 8.3343 10.5806 10.5806 10.9480 10.9480 15.4467 15.4467 16.6076 16.6076 18.7057 18.7057 k = 0.5000 0.3318 0.2569 ( 1052 PWs) bands (ev): -3.2564 -3.2564 -3.2110 -3.2110 -2.8587 -2.8587 -2.6865 -2.6865 -2.3940 -2.3940 3.7705 3.7705 6.7077 6.7077 8.4466 8.4466 10.6825 10.6825 10.7318 10.7318 15.2571 15.2571 16.4256 16.4256 18.5310 18.5310 k = 0.5000 0.3397 0.2569 ( 1052 PWs) bands (ev): -3.2609 -3.2609 -3.2114 -3.2114 -2.8615 -2.8615 -2.6835 -2.6835 -2.3861 -2.3861 3.8887 3.8887 6.7825 6.7825 8.5609 8.5609 10.5069 10.5069 10.7970 10.7970 15.0650 15.0650 16.2498 16.2498 18.3513 18.3513 k = 0.5000 0.3476 0.2569 ( 1052 PWs) bands (ev): -3.2653 -3.2653 -3.2119 -3.2119 -2.8642 -2.8642 -2.6806 -2.6806 -2.3783 -2.3783 4.0085 4.0085 6.8562 6.8562 8.6770 8.6770 10.2936 10.2936 10.9039 10.9039 14.8720 14.8720 16.0805 16.0805 18.1734 18.1734 k = 0.5000 0.3555 0.2569 ( 1052 PWs) bands (ev): -3.2696 -3.2696 -3.2124 -3.2124 -2.8667 -2.8667 -2.6779 -2.6779 -2.3707 -2.3707 4.1297 4.1297 6.9285 6.9285 8.7946 8.7946 10.0843 10.0843 11.0106 11.0106 14.6792 14.6792 15.9181 15.9181 17.9989 17.9989 k = 0.5000 0.3634 0.2569 ( 1048 PWs) bands (ev): -3.2737 -3.2737 -3.2128 -3.2128 -2.8690 -2.8690 -2.6753 -2.6753 -2.3634 -2.3634 4.2520 4.2520 6.9990 6.9990 8.9133 8.9133 9.8797 9.8797 11.1164 11.1164 14.4877 14.4877 15.7632 15.7632 17.8288 17.8288 k = 0.5000 0.3713 0.2569 ( 1048 PWs) bands (ev): -3.2776 -3.2776 -3.2134 -3.2134 -2.8713 -2.8713 -2.6729 -2.6729 -2.3564 -2.3564 4.3751 4.3751 7.0673 7.0673 9.0324 9.0324 9.6807 9.6807 11.2208 11.2208 14.2984 14.2984 15.6160 15.6160 17.6636 17.6636 k = 0.5000 0.3792 0.2569 ( 1056 PWs) bands (ev): -3.2815 -3.2815 -3.2139 -3.2139 -2.8734 -2.8734 -2.6707 -2.6707 -2.3498 -2.3498 4.4985 4.4985 7.1330 7.1330 9.1498 9.1498 9.4892 9.4892 11.3231 11.3231 14.1124 14.1124 15.4770 15.4770 17.5041 17.5041 k = 0.5000 0.3871 0.2569 ( 1052 PWs) bands (ev): -3.2850 -3.2850 -3.2144 -3.2144 -2.8753 -2.8753 -2.6685 -2.6685 -2.3435 -2.3435 4.6218 4.6218 7.1956 7.1956 9.2360 9.2360 9.3349 9.3349 11.4227 11.4227 13.9305 13.9305 15.3467 15.3467 17.3516 17.3516 k = 0.5000 0.3950 0.2569 ( 1056 PWs) bands (ev): -3.2882 -3.2882 -3.2150 -3.2150 -2.8770 -2.8770 -2.6666 -2.6666 -2.3377 -2.3377 4.7442 4.7442 7.2547 7.2547 9.1027 9.1027 9.4061 9.4061 11.5189 11.5189 13.7538 13.7538 15.2255 15.2255 17.2067 17.2067 k = 0.5000 0.4029 0.2569 ( 1056 PWs) bands (ev): -3.2912 -3.2912 -3.2154 -3.2154 -2.8786 -2.8786 -2.6649 -2.6649 -2.3322 -2.3322 4.8649 4.8649 7.3098 7.3098 8.9321 8.9321 9.5207 9.5207 11.6108 11.6108 13.5834 13.5834 15.1140 15.1140 17.0705 17.0705 k = 0.5000 0.4108 0.2569 ( 1056 PWs) bands (ev): -3.2939 -3.2939 -3.2159 -3.2159 -2.8800 -2.8800 -2.6634 -2.6634 -2.3273 -2.3273 4.9828 4.9828 7.3603 7.3603 8.7675 8.7675 9.6353 9.6353 11.6974 11.6974 13.4207 13.4207 15.0126 15.0126 16.9440 16.9440 k = 0.5000 0.4187 0.2569 ( 1048 PWs) bands (ev): -3.2962 -3.2962 -3.2163 -3.2163 -2.8812 -2.8812 -2.6620 -2.6620 -2.3229 -2.3229 5.0965 5.0965 7.4057 7.4057 8.6127 8.6127 9.7464 9.7464 11.7777 11.7777 13.2673 13.2673 14.9217 14.9217 16.8286 16.8286 k = 0.5000 0.4266 0.2569 ( 1048 PWs) bands (ev): -3.2983 -3.2983 -3.2167 -3.2167 -2.8823 -2.8823 -2.6608 -2.6608 -2.3190 -2.3190 5.2041 5.2041 7.4455 7.4455 8.4697 8.4697 9.8519 9.8519 11.8506 11.8506 13.1251 13.1251 14.8419 14.8419 16.7249 16.7249 k = 0.5000 0.4345 0.2569 ( 1048 PWs) bands (ev): -3.3001 -3.3001 -3.2170 -3.2170 -2.8832 -2.8832 -2.6598 -2.6598 -2.3157 -2.3157 5.3034 5.3034 7.4792 7.4792 8.3412 8.3412 9.9494 9.9494 11.9150 11.9150 12.9965 12.9965 14.7735 14.7735 16.6344 16.6344 k = 0.5000 0.4424 0.2569 ( 1048 PWs) bands (ev): -3.3016 -3.3016 -3.2173 -3.2173 -2.8839 -2.8839 -2.6590 -2.6590 -2.3130 -2.3130 5.3918 5.3918 7.5062 7.5062 8.2300 8.2300 10.0360 10.0360 11.9696 11.9696 12.8844 12.8844 14.7170 14.7170 16.5582 16.5582 k = 0.5000 0.4503 0.2569 ( 1048 PWs) bands (ev): -3.3028 -3.3028 -3.2175 -3.2175 -2.8845 -2.8845 -2.6583 -2.6583 -2.3108 -2.3108 5.4658 5.4658 7.5265 7.5265 8.1394 8.1394 10.1086 10.1086 12.0134 12.0134 12.7920 12.7920 14.6727 14.6727 16.4976 16.4976 k = 0.5000 0.4582 0.2569 ( 1048 PWs) bands (ev): -3.3036 -3.3036 -3.2177 -3.2177 -2.8849 -2.8849 -2.6579 -2.6579 -2.3093 -2.3093 5.5222 5.5222 7.5399 7.5399 8.0723 8.0723 10.1638 10.1638 12.0454 12.0454 12.7226 12.7226 14.6408 14.6408 16.4535 16.4535 k = 0.5000 0.4661 0.2569 ( 1052 PWs) bands (ev): -3.3042 -3.3042 -3.2179 -3.2179 -2.8852 -2.8852 -2.6576 -2.6576 -2.3084 -2.3084 5.5576 5.5576 7.5474 7.5474 8.0312 8.0312 10.1984 10.1984 12.0649 12.0649 12.6795 12.6795 14.6216 14.6216 16.4267 16.4267 k = 0.5000 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.3044 -3.3044 -3.2179 -3.2179 -2.8853 -2.8853 -2.6576 -2.6576 -2.3081 -2.3081 5.5696 5.5696 7.5497 7.5497 8.0174 8.0174 10.2103 10.2103 12.0715 12.0715 12.6648 12.6648 14.6152 14.6152 16.4175 16.4175 k = 0.5000 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.3044 -3.3044 -3.2179 -3.2179 -2.8853 -2.8853 -2.6576 -2.6576 -2.3081 -2.3081 5.5696 5.5696 7.5497 7.5497 8.0174 8.0174 10.2103 10.2103 12.0715 12.0715 12.6648 12.6648 14.6152 14.6152 16.4175 16.4175 k = 0.4922 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.3042 -3.3041 -3.2182 -3.2175 -2.8855 -2.8848 -2.6577 -2.6575 -2.3085 -2.3085 5.5523 5.5553 7.5558 7.5774 8.0055 8.0242 10.1977 10.2068 12.0126 12.0582 12.6871 12.7243 14.6224 14.6225 16.4257 16.4268 k = 0.4844 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.3036 -3.3036 -3.2184 -3.2171 -2.8856 -2.8842 -2.6579 -2.6576 -2.3098 -2.3097 5.5053 5.5108 7.5911 7.6383 7.9873 8.0291 10.1694 10.1874 11.9103 11.9826 12.7812 12.8369 14.6441 14.6444 16.4508 16.4529 k = 0.4766 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.3028 -3.3026 -3.2185 -3.2167 -2.8855 -2.8833 -2.6582 -2.6577 -2.3119 -2.3117 5.4328 5.4403 7.6448 7.7286 7.9623 8.0387 10.1262 10.1524 11.7902 11.8760 12.9151 12.9769 14.6801 14.6807 16.4925 16.4958 k = 0.4688 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.3015 -3.3014 -3.2185 -3.2161 -2.8852 -2.8823 -2.6586 -2.6579 -2.3148 -2.3146 5.3404 5.3492 7.6984 7.8407 7.9330 8.0668 10.0694 10.1027 11.6639 11.7571 13.0696 13.1322 14.7302 14.7310 16.5503 16.5548 k = 0.4609 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2999 -3.2997 -3.2185 -3.2155 -2.8846 -2.8810 -2.6591 -2.6582 -2.3186 -2.3183 5.2331 5.2427 7.7291 7.8817 7.9876 8.1310 10.0002 10.0395 11.5362 11.6334 13.2362 13.2975 14.7940 14.7949 16.6236 16.6293 k = 0.4531 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2980 -3.2978 -3.2184 -3.2148 -2.8839 -2.8795 -2.6597 -2.6587 -2.3231 -2.3228 5.1152 5.1251 7.7275 7.8378 8.1361 8.2369 9.9202 9.9644 11.4090 11.5083 13.4110 13.4701 14.8709 14.8720 16.7115 16.7184 k = 0.4453 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2958 -3.2955 -3.2182 -3.2141 -2.8829 -2.8779 -2.6603 -2.6591 -2.3284 -2.3280 4.9899 5.0000 7.7009 7.7848 8.2999 8.3744 9.8310 9.8789 11.2830 11.3830 13.5918 13.6486 14.9604 14.9617 16.8131 16.8212 k = 0.4375 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.2933 -3.2931 -3.2180 -3.2134 -2.8818 -2.8761 -2.6611 -2.6597 -2.3345 -2.3340 4.8597 4.8697 7.6579 7.7254 8.4743 8.5327 9.7342 9.7847 11.1582 11.2579 13.7773 13.8319 15.0620 15.0634 16.9273 16.9367 k = 0.4297 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2905 -3.2902 -3.2177 -3.2125 -2.8805 -2.8741 -2.6619 -2.6604 -2.3413 -2.3407 4.7265 4.7363 7.6038 7.6603 8.6571 8.7052 9.6315 9.6835 11.0348 11.1333 13.9666 14.0193 15.1751 15.1766 17.0536 17.0643 k = 0.4219 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2874 -3.2871 -3.2173 -3.2116 -2.8789 -2.8719 -2.6628 -2.6611 -2.3488 -2.3482 4.5916 4.6011 7.5415 7.5902 8.8463 8.8877 9.5248 9.5771 10.9125 11.0091 14.1589 14.2099 15.2989 15.3007 17.1907 17.2028 k = 0.4141 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2841 -3.2838 -3.2168 -3.2107 -2.8772 -2.8696 -2.6638 -2.6619 -2.3570 -2.3563 4.4559 4.4651 7.4728 7.5157 9.0384 9.0765 9.4177 9.4683 10.7911 10.8856 14.3534 14.4033 15.4330 15.4349 17.3379 17.3512 k = 0.4062 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2805 -3.2803 -3.2162 -3.2097 -2.8752 -2.8670 -2.6649 -2.6628 -2.3658 -2.3649 4.3202 4.3291 7.3989 7.4374 9.2026 9.2513 9.3414 9.3771 10.6707 10.7627 14.5494 14.5986 15.5767 15.5788 17.4944 17.5089 k = 0.3984 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2768 -3.2767 -3.2154 -3.2086 -2.8731 -2.8643 -2.6660 -2.6637 -2.3752 -2.3742 4.1851 4.1937 7.3209 7.3557 9.1578 9.2158 9.4770 9.4998 10.5511 10.6404 14.7462 14.7952 15.7294 15.7316 17.6588 17.6744 k = 0.3906 0.4740 0.2569 ( 1044 PWs) bands (ev): -3.2731 -3.2730 -3.2146 -3.2075 -2.8707 -2.8615 -2.6672 -2.6648 -2.3852 -2.3841 4.0511 4.0593 7.2393 7.2712 9.0467 9.1023 9.6822 9.7042 10.4323 10.5189 14.9427 14.9922 15.8906 15.8930 17.8300 17.8464 k = 0.3828 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2694 -3.2692 -3.2136 -3.2063 -2.8683 -2.8585 -2.6685 -2.6659 -2.3957 -2.3945 3.9184 3.9262 7.1550 7.1845 8.9299 8.9838 9.8964 9.9173 10.3146 10.3986 15.1379 15.1885 16.0597 16.0622 18.0065 18.0227 k = 0.3750 0.4740 0.2569 ( 1044 PWs) bands (ev): -3.2658 -3.2653 -3.2123 -3.2049 -2.8655 -2.8553 -2.6698 -2.6670 -2.4066 -2.4053 3.7873 3.7949 7.0685 7.0958 8.8118 8.8641 10.1130 10.1314 10.2022 10.2822 15.3304 15.3829 16.2363 16.2390 18.1838 18.1974 k = 0.3672 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2623 -3.2615 -3.2108 -3.2035 -2.8627 -2.8521 -2.6711 -2.6682 -2.4179 -2.4165 3.6581 3.6653 6.9802 7.0057 8.6935 8.7443 10.0789 10.1529 10.3475 10.3617 15.5187 15.5738 16.4198 16.4226 18.3451 18.3457 k = 0.3594 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2590 -3.2577 -3.2090 -3.2018 -2.8597 -2.8488 -2.6725 -2.6694 -2.4296 -2.4280 3.5309 3.5378 6.8906 6.9145 8.5757 8.6250 9.9644 10.0379 10.5727 10.5882 15.7004 15.7590 16.6097 16.6127 18.4008 18.4347 k = 0.3516 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.2561 -3.2542 -3.2069 -3.2000 -2.8566 -2.8454 -2.6739 -2.6706 -2.4416 -2.4397 3.4058 3.4125 6.8000 6.8225 8.4589 8.5067 9.8506 9.9217 10.8038 10.8189 15.8730 15.9358 16.8056 16.8087 18.3908 18.4423 k = 0.3438 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.2535 -3.2510 -3.2044 -3.1980 -2.8534 -2.8420 -2.6752 -2.6718 -2.4537 -2.4517 3.2831 3.2894 6.7089 6.7302 8.3434 8.3896 9.7379 9.8066 11.0386 11.0531 16.0333 16.1009 17.0069 17.0102 18.3740 18.4357 k = 0.3359 0.4740 0.2569 ( 1060 PWs) bands (ev): -3.2514 -3.2482 -3.2015 -3.1957 -2.8501 -2.8386 -2.6765 -2.6731 -2.4659 -2.4637 3.1627 3.1687 6.6175 6.6377 8.2293 8.2741 9.6265 9.6927 11.2766 11.2907 16.1774 16.2502 17.2130 17.2165 18.3688 18.4393 k = 0.3281 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.2497 -3.2456 -3.1983 -3.1931 -2.8467 -2.8352 -2.6778 -2.6743 -2.4782 -2.4757 3.0447 3.0505 6.5262 6.5453 8.1170 8.1602 9.5167 9.5804 11.5177 11.5314 16.3015 16.3791 17.4233 17.4271 18.3833 18.4618 k = 0.3203 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.2485 -3.2436 -3.1948 -3.1904 -2.8434 -2.8320 -2.6789 -2.6755 -2.4904 -2.4877 2.9293 2.9348 6.4351 6.4532 8.0065 8.0483 9.4084 9.4697 11.7618 11.7752 16.4020 16.4833 17.6369 17.6410 18.4225 18.5080 k = 0.3125 0.4740 0.2569 ( 1044 PWs) bands (ev): -3.2476 -3.2419 -3.1910 -3.1873 -2.8399 -2.8288 -2.6798 -2.6765 -2.5024 -2.4995 2.8164 2.8216 6.3445 6.3618 7.8981 7.9384 9.3018 9.3608 12.0086 12.0218 16.4770 16.5602 17.8525 17.8570 18.4897 18.5804 k = 0.3047 0.4740 0.2569 ( 1044 PWs) bands (ev): -3.2471 -3.2407 -3.1872 -3.1842 -2.8366 -2.8258 -2.6806 -2.6775 -2.5142 -2.5111 2.7061 2.7111 6.2546 6.2711 7.7918 7.8307 9.1969 9.2537 12.2581 12.2712 16.5261 16.6090 18.0681 18.0730 18.5851 18.6790 k = 0.2969 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2471 -3.2400 -3.1835 -3.1812 -2.8335 -2.8232 -2.6812 -2.6785 -2.5257 -2.5223 2.5985 2.6032 6.1656 6.1814 7.6877 7.7252 9.0940 9.1486 12.5101 12.5231 16.5513 16.6320 18.2802 18.2855 18.7061 18.8017 k = 0.2891 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2473 -3.2396 -3.1799 -3.1782 -2.8304 -2.8208 -2.6815 -2.6792 -2.5367 -2.5332 2.4936 2.4981 6.0777 6.0928 7.5860 7.6221 8.9930 9.0455 12.7645 12.7776 16.5558 16.6330 18.4823 18.4877 18.8483 18.9447 k = 0.2812 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.2477 -3.2396 -3.1765 -3.1754 -2.8276 -2.8188 -2.6816 -2.6799 -2.5472 -2.5435 2.3913 2.3956 5.9910 6.0054 7.4866 7.5213 8.8941 8.9445 13.0211 13.0344 16.5434 16.6163 18.6616 18.6655 19.0071 19.1033 k = 0.2734 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.2485 -3.2399 -3.1736 -3.1730 -2.8250 -2.8171 -2.6813 -2.6804 -2.5571 -2.5533 2.2918 2.2959 5.9057 5.9195 7.3897 7.4231 8.7973 8.8457 13.2799 13.2935 16.5178 16.5863 18.7953 18.7956 19.1788 19.2730 k = 0.2656 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.2494 -3.2405 -3.1710 -3.1709 -2.8225 -2.8158 -2.6807 -2.6807 -2.5662 -2.5623 2.1951 2.1989 5.8218 5.8350 7.2953 7.3274 8.7027 8.7492 13.5406 13.5546 16.4823 16.5463 18.8563 18.8626 19.3597 19.4495 k = 0.2578 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.2504 -3.2413 -3.1693 -3.1690 -2.8203 -2.8148 -2.6807 -2.6796 -2.5745 -2.5706 2.1011 2.1047 5.7396 5.7522 7.2034 7.2343 8.6104 8.6549 13.8030 13.8176 16.4395 16.4993 18.8556 18.8669 19.5439 19.6281 k = 0.2500 0.4740 0.2569 ( 1052 PWs) bands (ev): -3.2517 -3.2424 -3.1683 -3.1676 -2.8183 -2.8141 -2.6806 -2.6783 -2.5819 -2.5780 2.0099 2.0133 5.6590 5.6711 7.1142 7.1437 8.5203 8.5631 14.0670 14.0823 16.3914 16.4473 18.8176 18.8325 19.7249 19.8042 k = 0.2422 0.4740 0.2569 ( 1048 PWs) bands (ev): -3.2531 -3.2436 -3.1680 -3.1669 -2.8165 -2.8136 -2.6804 -2.6768 -2.5883 -2.5845 1.9215 1.9247 5.5803 5.5919 7.0275 7.0558 8.4327 8.4736 14.3321 14.3483 16.3397 16.3920 18.7610 18.7788 19.8984 19.9733 k = 0.2344 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2546 -3.2450 -3.1684 -3.1670 -2.8148 -2.8132 -2.6800 -2.6751 -2.5936 -2.5900 1.8359 1.8389 5.5034 5.5145 6.9434 6.9706 8.3474 8.3866 14.5981 14.6155 16.2858 16.3349 18.6956 18.7164 20.0606 20.1317 k = 0.2266 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2562 -3.2466 -3.1697 -3.1680 -2.8132 -2.8128 -2.6797 -2.6734 -2.5978 -2.5945 1.7531 1.7559 5.4285 5.4391 6.8620 6.8880 8.2647 8.3022 14.8644 14.8831 16.2307 16.2770 18.6266 18.6505 20.2078 20.2752 k = 0.2188 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2580 -3.2483 -3.1718 -3.1699 -2.8124 -2.8117 -2.6795 -2.6720 -2.6008 -2.5978 1.6732 1.6757 5.3556 5.3658 6.7833 6.8081 8.1844 8.2203 15.1299 15.1503 16.1757 16.2196 18.5568 18.5843 20.3372 20.4007 k = 0.2109 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2599 -3.2502 -3.1748 -3.1727 -2.8118 -2.8100 -2.6794 -2.6708 -2.6026 -2.5999 1.5960 1.5984 5.2848 5.2946 6.7073 6.7309 8.1067 8.1410 15.3931 15.4152 16.1226 16.1647 18.4881 18.5198 20.4467 20.5059 k = 0.2031 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2619 -3.2522 -3.1786 -3.1763 -2.8110 -2.8083 -2.6796 -2.6700 -2.6033 -2.6008 1.5217 1.5239 5.2162 5.2256 6.6339 6.6565 8.0316 8.0643 15.6482 15.6719 16.0766 16.1182 18.4218 18.4584 20.5353 20.5901 k = 0.1953 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2639 -3.2543 -3.1832 -3.1808 -2.8099 -2.8064 -2.6800 -2.6697 -2.6029 -2.6005 1.4502 1.4522 5.1499 5.1588 6.5633 6.5848 7.9591 7.9902 15.8605 15.8834 16.0718 16.1163 18.3591 18.4018 20.6037 20.6541 k = 0.1875 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2660 -3.2565 -3.1886 -3.1860 -2.8084 -2.8042 -2.6806 -2.6698 -2.6014 -2.5990 1.3815 1.3834 5.0858 5.0942 6.4954 6.5158 7.8893 7.9189 15.9033 15.9293 16.2333 16.2784 18.3016 18.3519 20.6537 20.6997 k = 0.1797 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2683 -3.2589 -3.1946 -3.1919 -2.8066 -2.8019 -2.6814 -2.6704 -2.5992 -2.5967 1.3156 1.3174 5.0240 5.0320 6.4302 6.4496 7.8222 7.8503 15.8662 15.8932 16.4691 16.5191 18.2514 18.3113 20.6877 20.7295 k = 0.1719 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2706 -3.2613 -3.2011 -3.1984 -2.8045 -2.7993 -2.6823 -2.6712 -2.5962 -2.5935 1.2526 1.2542 4.9646 4.9722 6.3678 6.3861 7.7578 7.7844 15.8190 15.8453 16.7055 16.7647 18.2119 18.2841 20.7085 20.7465 k = 0.1641 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2730 -3.2639 -3.2081 -3.2054 -2.8020 -2.7966 -2.6832 -2.6722 -2.5926 -2.5898 1.1924 1.1938 4.9075 4.9148 6.3080 6.3254 7.6961 7.7214 15.7705 15.7955 16.9271 16.9990 18.1894 18.2770 20.7187 20.7531 k = 0.1562 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2755 -3.2666 -3.2154 -3.2127 -2.7994 -2.7937 -2.6842 -2.6734 -2.5887 -2.5856 1.1350 1.1363 4.8530 4.8599 6.2511 6.2674 7.6372 7.6611 15.7225 15.7462 17.1217 17.2081 18.1950 18.2999 20.7206 20.7518 k = 0.1484 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2781 -3.2695 -3.2229 -3.2202 -2.7965 -2.7907 -2.6850 -2.6745 -2.5844 -2.5811 1.0805 1.0817 4.8009 4.8074 6.1969 6.2123 7.5811 7.6036 15.6758 15.6981 17.2759 17.3735 18.2464 18.3652 20.7162 20.7446 k = 0.1406 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2809 -3.2725 -3.2303 -3.2277 -2.7935 -2.7876 -2.6859 -2.6756 -2.5799 -2.5765 1.0287 1.0298 4.7513 4.7575 6.1454 6.1598 7.5278 7.5490 15.6307 15.6517 17.3807 17.4789 18.3586 18.4810 20.7071 20.7329 k = 0.1328 0.4740 0.2569 ( 1040 PWs) bands (ev): -3.2839 -3.2759 -3.2376 -3.2351 -2.7904 -2.7845 -2.6865 -2.6767 -2.5752 -2.5717 0.9798 0.9808 4.7042 4.7101 6.0967 6.1102 7.4774 7.4972 15.5876 15.6072 17.4391 17.5276 18.5273 18.6434 20.6948 20.7182 k = 0.1250 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2871 -3.2795 -3.2443 -3.2421 -2.7872 -2.7814 -2.6870 -2.6775 -2.5705 -2.5669 0.9337 0.9346 4.6598 4.6652 6.0508 6.0634 7.4297 7.4483 15.5465 15.5648 17.4632 17.5385 18.7325 18.8391 20.6802 20.7015 k = 0.1172 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2906 -3.2836 -3.2507 -3.2488 -2.7841 -2.7784 -2.6874 -2.6783 -2.5658 -2.5622 0.8905 0.8912 4.6179 4.6230 6.0076 6.0193 7.3850 7.4022 15.5076 15.5246 17.4658 17.5288 18.9552 19.0538 20.6640 20.6833 k = 0.1094 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2945 -3.2883 -3.2563 -3.2548 -2.7811 -2.7755 -2.6875 -2.6790 -2.5611 -2.5576 0.8500 0.8506 4.5786 4.5833 5.9672 5.9781 7.3431 7.3590 15.4709 15.4866 17.4559 17.5087 19.1832 19.2764 20.6471 20.6645 k = 0.1016 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.2987 -3.2933 -3.2611 -3.2602 -2.7782 -2.7728 -2.6875 -2.6795 -2.5566 -2.5532 0.8123 0.8129 4.5420 4.5463 5.9296 5.9396 7.3040 7.3188 15.4366 15.4511 17.4392 17.4838 19.4079 19.4984 20.6299 20.6456 k = 0.0938 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3033 -3.2987 -3.2652 -3.2649 -2.7754 -2.7703 -2.6874 -2.6799 -2.5522 -2.5489 0.7775 0.7780 4.5080 4.5120 5.8948 5.9040 7.2679 7.2814 15.4047 15.4179 17.4190 17.4569 19.6224 19.7120 20.6129 20.6270 k = 0.0859 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3081 -3.3043 -3.2688 -3.2687 -2.7728 -2.7681 -2.6871 -2.6801 -2.5481 -2.5449 0.7454 0.7458 4.4767 4.4803 5.8628 5.8711 7.2347 7.2470 15.3752 15.3872 17.3974 17.4298 19.8195 19.9089 20.5964 20.6090 k = 0.0781 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3130 -3.3099 -3.2721 -3.2716 -2.7705 -2.7661 -2.6866 -2.6803 -2.5441 -2.5411 0.7162 0.7165 4.4480 4.4514 5.8335 5.8411 7.2043 7.2155 15.3481 15.3590 17.3758 17.4035 19.9915 20.0795 20.5807 20.5919 k = 0.0703 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3177 -3.3152 -3.2748 -3.2740 -2.7683 -2.7643 -2.6860 -2.6803 -2.5405 -2.5377 0.6897 0.6900 4.4221 4.4251 5.8071 5.8139 7.1769 7.1870 15.3236 15.3334 17.3550 17.3786 20.1315 20.2146 20.5662 20.5761 k = 0.0625 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3223 -3.3203 -3.2771 -3.2761 -2.7664 -2.7628 -2.6854 -2.6803 -2.5372 -2.5346 0.6660 0.6663 4.3989 4.4015 5.7835 5.7895 7.1525 7.1613 15.3017 15.3103 17.3355 17.3556 20.2366 20.3102 20.5528 20.5614 k = 0.0547 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3266 -3.3250 -3.2789 -3.2779 -2.7647 -2.7615 -2.6847 -2.6802 -2.5341 -2.5318 0.6451 0.6454 4.3784 4.3807 5.7627 5.7679 7.1309 7.1386 15.2823 15.2898 17.3178 17.3348 20.3098 20.3712 20.5408 20.5481 k = 0.0469 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3305 -3.3293 -3.2804 -3.2795 -2.7632 -2.7605 -2.6839 -2.6801 -2.5314 -2.5294 0.6271 0.6272 4.3606 4.3626 5.7447 5.7491 7.1123 7.1189 15.2656 15.2720 17.3022 17.3163 20.3582 20.4073 20.5303 20.5365 k = 0.0391 0.4740 0.2569 ( 1032 PWs) bands (ev): -3.3339 -3.3329 -3.2816 -3.2807 -2.7619 -2.7596 -2.6832 -2.6800 -2.5290 -2.5273 0.6118 0.6119 4.3456 4.3473 5.7295 5.7332 7.0966 7.1021 15.2515 15.2568 17.2889 17.3004 20.3894 20.4274 20.5214 20.5265 k = 0.0312 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3367 -3.3360 -3.2826 -3.2818 -2.7608 -2.7590 -2.6825 -2.6800 -2.5271 -2.5257 0.5992 0.5993 4.3333 4.3347 5.7171 5.7201 7.0839 7.0883 15.2400 15.2442 17.2780 17.2870 20.4094 20.4379 20.5141 20.5182 k = 0.0234 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3390 -3.3384 -3.2832 -3.2827 -2.7600 -2.7586 -2.6819 -2.6800 -2.5255 -2.5244 0.5895 0.5896 4.3238 4.3248 5.7076 5.7098 7.0741 7.0774 15.2311 15.2343 17.2697 17.2763 20.4224 20.4427 20.5086 20.5116 k = 0.0156 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3406 -3.3402 -3.2837 -3.2833 -2.7593 -2.7584 -2.6813 -2.6800 -2.5243 -2.5236 0.5826 0.5826 4.3171 4.3178 5.7009 5.7024 7.0673 7.0694 15.2250 15.2271 17.2640 17.2684 20.4310 20.4440 20.5047 20.5068 k = 0.0078 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3415 -3.3413 -3.2839 -3.2837 -2.7588 -2.7584 -2.6808 -2.6802 -2.5235 -2.5232 0.5784 0.5784 4.3131 4.3134 5.6970 5.6978 7.0634 7.0645 15.2215 15.2225 17.2609 17.2631 20.4368 20.4431 20.5026 20.5036 k = 0.0000 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3417 -3.3417 -3.2839 -3.2839 -2.7585 -2.7585 -2.6804 -2.6804 -2.5231 -2.5231 0.5770 0.5770 4.3119 4.3119 5.6960 5.6960 7.0624 7.0624 15.2207 15.2207 17.2607 17.2607 20.4407 20.4407 20.5023 20.5023 k = 0.0000 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3417 -3.3417 -3.2839 -3.2839 -2.7585 -2.7585 -2.6804 -2.6804 -2.5231 -2.5231 0.5770 0.5770 4.3119 4.3119 5.6960 5.6960 7.0624 7.0624 15.2207 15.2207 17.2607 17.2607 20.4407 20.4407 20.5023 20.5023 k = 0.0000 0.4661 0.2569 ( 1040 PWs) bands (ev): -3.3418 -3.3418 -3.2839 -3.2839 -2.7586 -2.7586 -2.6806 -2.6806 -2.5232 -2.5232 0.5696 0.5696 4.3223 4.3223 5.6718 5.6718 7.0894 7.0894 15.2166 15.2166 17.2515 17.2515 20.4520 20.4520 20.5098 20.5098 k = 0.0000 0.4582 0.2569 ( 1036 PWs) bands (ev): -3.3419 -3.3419 -3.2837 -3.2837 -2.7587 -2.7587 -2.6808 -2.6808 -2.5232 -2.5232 0.5477 0.5477 4.3532 4.3532 5.6044 5.6044 7.1651 7.1651 15.2044 15.2044 17.2244 17.2244 20.4860 20.4860 20.5326 20.5326 k = 0.0000 0.4503 0.2569 ( 1036 PWs) bands (ev): -3.3420 -3.3420 -3.2834 -3.2834 -2.7589 -2.7589 -2.6812 -2.6812 -2.5233 -2.5233 0.5120 0.5120 4.4039 4.4039 5.5049 5.5049 7.2784 7.2784 15.1844 15.1844 17.1804 17.1804 20.5405 20.5405 20.5709 20.5709 k = 0.0000 0.4424 0.2569 ( 1036 PWs) bands (ev): -3.3422 -3.3422 -3.2829 -3.2829 -2.7592 -2.7592 -2.6817 -2.6817 -2.5235 -2.5235 0.4636 0.4636 4.4732 4.4732 5.3842 5.3842 7.4185 7.4185 15.1570 15.1570 17.1214 17.1214 20.6088 20.6088 20.6294 20.6294 k = 0.0000 0.4345 0.2569 ( 1038 PWs) bands (ev): -3.3424 -3.3424 -3.2824 -3.2824 -2.7596 -2.7596 -2.6823 -2.6823 -2.5237 -2.5237 0.4038 0.4038 4.5598 4.5598 5.2507 5.2507 7.5770 7.5770 15.1226 15.1226 17.0492 17.0492 20.6794 20.6794 20.7172 20.7172 k = 0.0000 0.4266 0.2569 ( 1038 PWs) bands (ev): -3.3427 -3.3427 -3.2818 -3.2818 -2.7602 -2.7602 -2.6831 -2.6831 -2.5240 -2.5240 0.3341 0.3341 4.6619 4.6619 5.1098 5.1098 7.7486 7.7486 15.0819 15.0819 16.9659 16.9659 20.7585 20.7585 20.8254 20.8254 k = 0.0000 0.4187 0.2569 ( 1038 PWs) bands (ev): -3.3431 -3.3431 -3.2810 -3.2810 -2.7610 -2.7610 -2.6839 -2.6839 -2.5242 -2.5242 0.2561 0.2561 4.7762 4.7762 4.9668 4.9668 7.9299 7.9299 15.0356 15.0356 16.8735 16.8735 20.8491 20.8491 20.9482 20.9482 k = 0.0000 0.4108 0.2569 ( 1038 PWs) bands (ev): -3.3435 -3.3435 -3.2802 -3.2802 -2.7620 -2.7620 -2.6848 -2.6848 -2.5245 -2.5245 0.1710 0.1710 4.8051 4.8051 4.9201 4.9201 8.1185 8.1185 14.9844 14.9844 16.7739 16.7739 20.9511 20.9511 21.0829 21.0829 k = 0.0000 0.4029 0.2569 ( 1038 PWs) bands (ev): -3.3440 -3.3440 -3.2792 -3.2792 -2.7632 -2.7632 -2.6856 -2.6856 -2.5248 -2.5248 0.0803 0.0803 4.6628 4.6628 5.0557 5.0557 8.3129 8.3129 14.9290 14.9290 16.6686 16.6686 21.0638 21.0638 21.2274 21.2274 k = 0.0000 0.3950 0.2569 ( 1038 PWs) bands (ev): -3.3446 -3.3446 -3.2782 -3.2782 -2.7647 -2.7647 -2.6864 -2.6864 -2.5251 -2.5251 -0.0149 -0.0149 4.5155 4.5155 5.2070 5.2070 8.5120 8.5120 14.8703 14.8703 16.5589 16.5589 21.1863 21.1863 21.3788 21.3788 k = 0.0000 0.3871 0.2569 ( 1038 PWs) bands (ev): -3.3453 -3.3453 -3.2770 -3.2770 -2.7666 -2.7666 -2.6871 -2.6871 -2.5254 -2.5254 -0.1136 -0.1136 4.3686 4.3686 5.3684 5.3684 8.7150 8.7150 14.8091 14.8091 16.4460 16.4460 21.3167 21.3167 21.5257 21.5257 k = 0.0000 0.3792 0.2569 ( 1038 PWs) bands (ev): -3.3460 -3.3460 -3.2759 -3.2759 -2.7688 -2.7688 -2.6878 -2.6878 -2.5257 -2.5257 -0.2147 -0.2147 4.2229 4.2229 5.5386 5.5386 8.9211 8.9211 14.7461 14.7461 16.3308 16.3308 21.4463 21.4463 21.5761 21.5761 k = 0.0000 0.3713 0.2569 ( 1038 PWs) bands (ev): -3.3468 -3.3468 -3.2746 -3.2746 -2.7714 -2.7714 -2.6882 -2.6882 -2.5259 -2.5259 -0.3177 -0.3177 4.0791 4.0791 5.7165 5.7165 9.1299 9.1299 14.6821 14.6821 16.2142 16.2142 21.4877 21.4877 21.6376 21.6376 k = 0.0000 0.3634 0.2569 ( 1042 PWs) bands (ev): -3.3477 -3.3477 -3.2734 -3.2734 -2.7744 -2.7744 -2.6886 -2.6886 -2.5262 -2.5262 -0.4218 -0.4218 3.9374 3.9374 5.9016 5.9016 9.3408 9.3408 14.6179 14.6179 16.0968 16.0968 21.4402 21.4402 21.7856 21.7856 k = 0.0000 0.3555 0.2569 ( 1040 PWs) bands (ev): -3.3486 -3.3486 -3.2721 -3.2721 -2.7779 -2.7779 -2.6887 -2.6887 -2.5263 -2.5263 -0.5264 -0.5264 3.7980 3.7980 6.0932 6.0932 9.5532 9.5532 14.5543 14.5543 15.9791 15.9791 21.3805 21.3805 21.9495 21.9495 k = 0.0000 0.3476 0.2569 ( 1040 PWs) bands (ev): -3.3497 -3.3497 -3.2708 -3.2708 -2.7818 -2.7818 -2.6886 -2.6886 -2.5264 -2.5264 -0.6311 -0.6311 3.6610 3.6610 6.2909 6.2909 9.7666 9.7666 14.4921 14.4921 15.8616 15.8616 21.3167 21.3167 22.1219 22.1219 k = 0.0000 0.3397 0.2569 ( 1044 PWs) bands (ev): -3.3508 -3.3508 -3.2696 -3.2696 -2.7861 -2.7861 -2.6883 -2.6883 -2.5265 -2.5265 -0.7354 -0.7354 3.5267 3.5267 6.4941 6.4941 9.9803 9.9803 14.4323 14.4323 15.7448 15.7448 21.2505 21.2505 22.3015 22.3015 k = 0.0000 0.3318 0.2569 ( 1044 PWs) bands (ev): -3.3521 -3.3521 -3.2684 -3.2684 -2.7908 -2.7908 -2.6879 -2.6879 -2.5265 -2.5265 -0.8389 -0.8389 3.3951 3.3951 6.7025 6.7025 10.1936 10.1936 14.3759 14.3759 15.6288 15.6288 21.1827 21.1827 22.4875 22.4875 k = 0.0000 0.3239 0.2569 ( 1044 PWs) bands (ev): -3.3534 -3.3534 -3.2673 -3.2673 -2.7959 -2.7959 -2.6872 -2.6872 -2.5264 -2.5264 -0.9415 -0.9415 3.2664 3.2664 6.9159 6.9159 10.4054 10.4054 14.3240 14.3240 15.5141 15.5141 21.1137 21.1137 22.6795 22.6795 k = 0.0000 0.3160 0.2569 ( 1044 PWs) bands (ev): -3.3548 -3.3548 -3.2662 -3.2662 -2.8014 -2.8014 -2.6864 -2.6864 -2.5262 -2.5262 -1.0427 -1.0427 3.1405 3.1405 7.1338 7.1338 10.6148 10.6148 14.2779 14.2779 15.4009 15.4009 21.0439 21.0439 22.8770 22.8770 k = 0.0000 0.3081 0.2569 ( 1044 PWs) bands (ev): -3.3563 -3.3563 -3.2653 -3.2653 -2.8073 -2.8073 -2.6855 -2.6855 -2.5260 -2.5260 -1.1423 -1.1423 3.0175 3.0175 7.3560 7.3560 10.8203 10.8203 14.2392 14.2392 15.2894 15.2894 20.9735 20.9735 23.0797 23.0797 k = 0.0000 0.3002 0.2569 ( 1044 PWs) bands (ev): -3.3579 -3.3579 -3.2645 -3.2645 -2.8135 -2.8135 -2.6844 -2.6844 -2.5257 -2.5257 -1.2402 -1.2402 2.8976 2.8976 7.5824 7.5824 11.0202 11.0202 14.2098 14.2098 15.1797 15.1797 20.9029 20.9029 23.2872 23.2872 k = 0.0000 0.2923 0.2569 ( 1044 PWs) bands (ev): -3.3595 -3.3595 -3.2639 -3.2639 -2.8200 -2.8200 -2.6833 -2.6833 -2.5253 -2.5253 -1.3362 -1.3362 2.7807 2.7807 7.8127 7.8127 11.2124 11.2124 14.1920 14.1920 15.0721 15.0721 20.8322 20.8322 23.4994 23.4994 k = 0.0000 0.2844 0.2569 ( 1040 PWs) bands (ev): -3.3613 -3.3613 -3.2634 -3.2634 -2.8269 -2.8269 -2.6820 -2.6820 -2.5248 -2.5248 -1.4299 -1.4299 2.6668 2.6668 8.0466 8.0466 11.3942 11.3942 14.1884 14.1884 14.9668 14.9668 20.7618 20.7618 23.7158 23.7158 k = 0.0000 0.2765 0.2569 ( 1036 PWs) bands (ev): -3.3631 -3.3631 -3.2631 -3.2631 -2.8340 -2.8340 -2.6807 -2.6807 -2.5242 -2.5242 -1.5214 -1.5214 2.5561 2.5561 8.2841 8.2841 11.5628 11.5628 14.2020 14.2020 14.8639 14.8639 20.6917 20.6917 23.9362 23.9362 k = 0.0000 0.2686 0.2569 ( 1034 PWs) bands (ev): -3.3650 -3.3650 -3.2631 -3.2631 -2.8414 -2.8414 -2.6794 -2.6794 -2.5236 -2.5236 -1.6103 -1.6103 2.4485 2.4485 8.5249 8.5249 11.7150 11.7150 14.2360 14.2360 14.7636 14.7636 20.6222 20.6222 24.1604 24.1604 k = 0.0000 0.2607 0.2569 ( 1036 PWs) bands (ev): -3.3671 -3.3671 -3.2633 -3.2633 -2.8491 -2.8491 -2.6780 -2.6780 -2.5230 -2.5230 -1.6966 -1.6966 2.3440 2.3440 8.7688 8.7688 11.8479 11.8479 14.2933 14.2933 14.6664 14.6664 20.5535 20.5535 24.3873 24.3873 k = 0.0000 0.2528 0.2569 ( 1036 PWs) bands (ev): -3.3692 -3.3692 -3.2639 -3.2639 -2.8572 -2.8572 -2.6766 -2.6766 -2.5224 -2.5224 -1.7801 -1.7801 2.2426 2.2426 9.0156 9.0156 11.9593 11.9593 14.3748 14.3748 14.5736 14.5736 20.4856 20.4856 24.5468 24.5468 k = 0.0000 0.2449 0.2569 ( 1036 PWs) bands (ev): -3.3714 -3.3714 -3.2646 -3.2646 -2.8657 -2.8657 -2.6753 -2.6753 -2.5217 -2.5217 -1.8606 -1.8606 2.1445 2.1445 9.2652 9.2652 12.0480 12.0480 14.4513 14.4513 14.5157 14.5157 20.4188 20.4188 24.6470 24.6470 k = 0.0000 0.2370 0.2569 ( 1036 PWs) bands (ev): -3.3737 -3.3737 -3.2657 -3.2657 -2.8746 -2.8746 -2.6739 -2.6739 -2.5212 -2.5212 -1.9379 -1.9379 2.0495 2.0495 9.5174 9.5174 12.1147 12.1147 14.3829 14.3829 14.6322 14.6322 20.3532 20.3532 24.7217 24.7217 k = 0.0000 0.2291 0.2569 ( 1032 PWs) bands (ev): -3.3760 -3.3760 -3.2671 -3.2671 -2.8840 -2.8840 -2.6726 -2.6726 -2.5207 -2.5207 -2.0117 -2.0117 1.9577 1.9577 9.7718 9.7718 12.1611 12.1611 14.2989 14.2989 14.7924 14.7924 20.2889 20.2889 24.7711 24.7711 k = 0.0000 0.2212 0.2569 ( 1028 PWs) bands (ev): -3.3785 -3.3785 -3.2688 -3.2688 -2.8940 -2.8940 -2.6713 -2.6713 -2.5204 -2.5204 -2.0819 -2.0819 1.8691 1.8691 10.0282 10.0282 12.1900 12.1900 14.2171 14.2171 14.9760 14.9760 20.2259 20.2259 24.7967 24.7967 k = 0.0000 0.2133 0.2569 ( 1024 PWs) bands (ev): -3.3810 -3.3810 -3.2708 -3.2708 -2.9048 -2.9048 -2.6700 -2.6700 -2.5205 -2.5205 -2.1480 -2.1480 1.7837 1.7837 10.2861 10.2861 12.2044 12.2044 14.1387 14.1387 15.1790 15.1790 20.1645 20.1645 24.8014 24.8014 k = 0.0000 0.2054 0.2569 ( 1028 PWs) bands (ev): -3.3837 -3.3837 -3.2732 -3.2732 -2.9165 -2.9165 -2.6688 -2.6688 -2.5211 -2.5211 -2.2098 -2.2098 1.7015 1.7015 10.5453 10.5453 12.2074 12.2074 14.0642 14.0642 15.3982 15.3982 20.1047 20.1047 24.7889 24.7889 k = 0.0000 0.1975 0.2569 ( 1030 PWs) bands (ev): -3.3864 -3.3864 -3.2759 -3.2759 -2.9293 -2.9293 -2.6677 -2.6677 -2.5225 -2.5225 -2.2665 -2.2665 1.6225 1.6225 10.8048 10.8048 12.2016 12.2016 13.9942 13.9942 15.6310 15.6310 20.0466 20.0466 24.7625 24.7625 k = 0.0000 0.1896 0.2569 ( 1034 PWs) bands (ev): -3.3893 -3.3893 -3.2789 -3.2789 -2.9434 -2.9434 -2.6667 -2.6667 -2.5254 -2.5254 -2.3176 -2.3176 1.5467 1.5467 11.0640 11.0640 12.1893 12.1893 13.9294 13.9294 15.8751 15.8751 19.9903 19.9903 24.7248 24.7248 k = 0.0000 0.1817 0.2569 ( 1034 PWs) bands (ev): -3.3922 -3.3922 -3.2821 -3.2821 -2.9588 -2.9588 -2.6657 -2.6657 -2.5304 -2.5304 -2.3620 -2.3620 1.4741 1.4741 11.3213 11.3213 12.1728 12.1728 13.8706 13.8706 16.1288 16.1288 19.9358 19.9358 24.6777 24.6777 k = 0.0000 0.1738 0.2569 ( 1034 PWs) bands (ev): -3.3952 -3.3952 -3.2857 -3.2857 -2.9757 -2.9757 -2.6647 -2.6647 -2.5389 -2.5389 -2.3982 -2.3982 1.4047 1.4047 11.5740 11.5740 12.1545 12.1545 13.8194 13.8194 16.3906 16.3906 19.8832 19.8832 24.6225 24.6225 k = 0.0000 0.1659 0.2569 ( 1034 PWs) bands (ev): -3.3983 -3.3983 -3.2896 -3.2896 -2.9943 -2.9943 -2.6639 -2.6639 -2.5518 -2.5518 -2.4251 -2.4251 1.3384 1.3384 11.8152 11.8152 12.1402 12.1402 13.7779 13.7779 16.6593 16.6593 19.8326 19.8326 24.5597 24.5597 k = 0.0000 0.1580 0.2569 ( 1034 PWs) bands (ev): -3.4014 -3.4014 -3.2938 -3.2938 -3.0145 -3.0145 -2.6631 -2.6631 -2.5690 -2.5690 -2.4429 -2.4429 1.2754 1.2754 12.0036 12.0036 12.1683 12.1683 13.7497 13.7497 16.9338 16.9338 19.7841 19.7841 24.4893 24.4893 k = 0.0000 0.1501 0.2569 ( 1036 PWs) bands (ev): -3.4046 -3.4046 -3.2984 -3.2984 -3.0361 -3.0361 -2.6625 -2.6625 -2.5886 -2.5886 -2.4536 -2.4536 1.2155 1.2155 12.0393 12.0393 12.3335 12.3335 13.7406 13.7406 17.2134 17.2134 19.7376 19.7376 24.4106 24.4106 k = 0.0000 0.1422 0.2569 ( 1040 PWs) bands (ev): -3.4079 -3.4079 -3.3033 -3.3033 -3.0588 -3.0588 -2.6620 -2.6620 -2.6084 -2.6084 -2.4597 -2.4597 1.1587 1.1587 12.0231 12.0231 12.5262 12.5262 13.7595 13.7595 17.4975 17.4975 19.6933 19.6933 24.3223 24.3223 k = 0.0000 0.1343 0.2569 ( 1042 PWs) bands (ev): -3.4112 -3.4112 -3.3087 -3.3087 -3.0821 -3.0821 -2.6618 -2.6618 -2.6266 -2.6266 -2.4630 -2.4630 1.1052 1.1052 11.9995 11.9995 12.6901 12.6901 13.8185 13.8185 17.7854 17.7854 19.6512 19.6512 24.2225 24.2225 k = 0.0000 0.1264 0.2569 ( 1036 PWs) bands (ev): -3.4144 -3.4144 -3.3145 -3.3145 -3.1056 -3.1056 -2.6623 -2.6623 -2.6420 -2.6420 -2.4646 -2.4646 1.0547 1.0547 11.9744 11.9744 12.8095 12.8095 13.9273 13.9273 18.0767 18.0767 19.6114 19.6114 24.1090 24.1090 k = 0.0000 0.1185 0.2569 ( 1034 PWs) bands (ev): -3.4177 -3.4177 -3.3209 -3.3209 -3.1287 -3.1287 -2.6658 -2.6658 -2.6524 -2.6524 -2.4653 -2.4653 1.0074 1.0074 11.9491 11.9491 12.8828 12.8828 14.0860 14.0860 18.3706 18.3706 19.5739 19.5739 23.9791 23.9791 k = 0.0000 0.1106 0.2569 ( 1030 PWs) bands (ev): -3.4209 -3.4209 -3.3281 -3.3281 -3.1509 -3.1509 -2.6743 -2.6743 -2.6557 -2.6557 -2.4653 -2.4653 0.9632 0.9632 11.9244 11.9244 12.9195 12.9195 14.2841 14.2841 18.6668 18.6668 19.5387 19.5387 23.8306 23.8306 k = 0.0000 0.1027 0.2569 ( 1034 PWs) bands (ev): -3.4241 -3.4241 -3.3361 -3.3361 -3.1715 -3.1715 -2.6837 -2.6837 -2.6563 -2.6563 -2.4650 -2.4650 0.9221 0.9221 11.9006 11.9006 12.9321 12.9321 14.5082 14.5082 18.9645 18.9645 19.5060 19.5060 23.6623 23.6623 k = 0.0000 0.0948 0.2569 ( 1038 PWs) bands (ev): -3.4274 -3.4274 -3.3450 -3.3450 -3.1903 -3.1903 -2.6921 -2.6921 -2.6563 -2.6563 -2.4644 -2.4644 0.8841 0.8841 11.8779 11.8779 12.9304 12.9304 14.7477 14.7477 19.2626 19.2626 19.4761 19.4761 23.4746 23.4746 k = 0.0000 0.0869 0.2569 ( 1038 PWs) bands (ev): -3.4305 -3.4305 -3.3547 -3.3547 -3.2068 -3.2068 -2.6993 -2.6993 -2.6561 -2.6561 -2.4637 -2.4637 0.8491 0.8491 11.8567 11.8567 12.9206 12.9206 14.9951 14.9951 19.4453 19.4453 19.5646 19.5646 23.2696 23.2696 k = 0.0000 0.0790 0.2569 ( 1038 PWs) bands (ev): -3.4334 -3.4334 -3.3651 -3.3651 -3.2210 -3.2210 -2.7053 -2.7053 -2.6559 -2.6559 -2.4629 -2.4629 0.8173 0.8173 11.8369 11.8369 12.9067 12.9067 15.2452 15.2452 19.4210 19.4210 19.8618 19.8618 23.0511 23.0511 k = 0.0000 0.0711 0.2569 ( 1038 PWs) bands (ev): -3.4363 -3.4363 -3.3759 -3.3759 -3.2328 -3.2328 -2.7103 -2.7103 -2.6557 -2.6557 -2.4620 -2.4620 0.7885 0.7885 11.8187 11.8187 12.8909 12.8909 15.4940 15.4940 19.3982 19.3982 20.1583 20.1583 22.8241 22.8241 k = 0.0000 0.0632 0.2569 ( 1034 PWs) bands (ev): -3.4390 -3.4390 -3.3867 -3.3867 -3.2424 -3.2424 -2.7144 -2.7144 -2.6554 -2.6554 -2.4612 -2.4612 0.7628 0.7628 11.8023 11.8023 12.8747 12.8747 15.7378 15.7378 19.3778 19.3778 20.4516 20.4516 22.5938 22.5938 k = 0.0000 0.0553 0.2569 ( 1038 PWs) bands (ev): -3.4416 -3.4416 -3.3972 -3.3972 -3.2502 -3.2502 -2.7179 -2.7179 -2.6552 -2.6552 -2.4605 -2.4605 0.7401 0.7401 11.7876 11.7876 12.8592 12.8592 15.9729 15.9729 19.3599 19.3599 20.7394 20.7394 22.3659 22.3659 k = 0.0000 0.0474 0.2569 ( 1042 PWs) bands (ev): -3.4442 -3.4442 -3.4068 -3.4068 -3.2565 -3.2565 -2.7207 -2.7207 -2.6550 -2.6550 -2.4598 -2.4598 0.7205 0.7205 11.7748 11.7748 12.8449 12.8449 16.1951 16.1951 19.3447 19.3447 21.0183 21.0183 22.1464 22.1464 k = 0.0000 0.0395 0.2569 ( 1044 PWs) bands (ev): -3.4466 -3.4466 -3.4153 -3.4153 -3.2614 -3.2614 -2.7229 -2.7229 -2.6549 -2.6549 -2.4592 -2.4592 0.7039 0.7039 11.7639 11.7639 12.8322 12.8322 16.3997 16.3997 19.3320 19.3320 21.2843 21.2843 21.9416 21.9416 k = 0.0000 0.0316 0.2569 ( 1044 PWs) bands (ev): -3.4489 -3.4489 -3.4222 -3.4222 -3.2651 -3.2651 -2.7246 -2.7246 -2.6547 -2.6547 -2.4587 -2.4587 0.6903 0.6903 11.7549 11.7549 12.8216 12.8216 16.5810 16.5810 19.3220 19.3220 21.5303 21.5303 21.7587 21.7587 k = 0.0000 0.0237 0.2569 ( 1040 PWs) bands (ev): -3.4510 -3.4510 -3.4274 -3.4274 -3.2679 -3.2679 -2.7259 -2.7259 -2.6546 -2.6546 -2.4582 -2.4582 0.6798 0.6798 11.7480 11.7480 12.8131 12.8131 16.7325 16.7325 19.3145 19.3145 21.6029 21.6029 21.7490 21.7490 k = 0.0000 0.0158 0.2569 ( 1040 PWs) bands (ev): -3.4528 -3.4528 -3.4310 -3.4310 -3.2697 -3.2697 -2.7268 -2.7268 -2.6545 -2.6545 -2.4579 -2.4579 0.6722 0.6722 11.7429 11.7429 12.8070 12.8070 16.8475 16.8475 19.3093 19.3093 21.4859 21.4859 21.9229 21.9229 k = 0.0000 0.0079 0.2569 ( 1040 PWs) bands (ev): -3.4540 -3.4540 -3.4331 -3.4331 -3.2708 -3.2708 -2.7273 -2.7273 -2.6545 -2.6545 -2.4577 -2.4577 0.6677 0.6677 11.7399 11.7399 12.8033 12.8033 16.9196 16.9196 19.3063 19.3063 21.4121 21.4121 22.0380 22.0380 k = 0.0000 0.0000 0.2569 ( 1040 PWs) bands (ev): -3.4545 -3.4545 -3.4338 -3.4338 -3.2712 -3.2712 -2.7275 -2.7275 -2.6545 -2.6545 -2.4577 -2.4577 0.6662 0.6662 11.7389 11.7389 12.8020 12.8020 16.9442 16.9442 19.3054 19.3054 21.3868 21.3868 22.0786 22.0786 k = 0.0000 0.4740-0.0000 ( 1050 PWs) bands (ev): -3.3446 -3.3446 -3.2381 -3.2381 -2.7731 -2.7731 -2.6884 -2.6884 -2.5325 -2.5325 0.1974 0.1974 3.6911 3.6911 9.0541 9.0541 9.1241 9.1241 9.6136 9.6136 12.6330 12.6330 21.8565 21.8565 26.9463 26.9463 k = 0.0000 0.4740 0.0078 ( 1046 PWs) bands (ev): -3.3448 -3.3444 -3.2392 -3.2371 -2.7746 -2.7716 -2.6887 -2.6881 -2.5327 -2.5323 0.1976 0.1987 3.6920 3.6921 8.9054 8.9175 9.2531 9.2807 9.5977 9.6154 12.6454 12.6472 21.8567 21.8567 26.8251 26.8411 k = 0.0000 0.4740 0.0156 ( 1042 PWs) bands (ev): -3.3449 -3.3442 -3.2405 -3.2364 -2.7760 -2.7700 -2.6889 -2.6878 -2.5328 -2.5321 0.1994 0.2016 3.6950 3.6951 8.7360 8.7460 9.3981 9.4623 9.5644 9.6229 12.6835 12.6871 21.8573 21.8573 26.6263 26.6450 k = 0.0000 0.4740 0.0234 ( 1050 PWs) bands (ev): -3.3451 -3.3440 -3.2421 -3.2359 -2.7774 -2.7684 -2.6891 -2.6875 -2.5329 -2.5319 0.2026 0.2059 3.6999 3.7001 8.5679 8.5768 9.4517 9.5138 9.6482 9.7076 12.7461 12.7514 21.8583 21.8584 26.4021 26.4223 k = 0.0000 0.4740 0.0311 ( 1050 PWs) bands (ev): -3.3452 -3.3438 -3.2437 -3.2356 -2.7786 -2.7668 -2.6892 -2.6870 -2.5330 -2.5316 0.2074 0.2118 3.7068 3.7071 8.4026 8.4110 9.4158 9.4477 9.8373 9.8691 12.8310 12.8377 21.8597 21.8598 26.1611 26.1825 k = 0.0000 0.4740 0.0389 ( 1050 PWs) bands (ev): -3.3453 -3.3436 -3.2455 -3.2355 -2.7797 -2.7653 -2.6893 -2.6866 -2.5330 -2.5313 0.2137 0.2191 3.7157 3.7161 8.2405 8.2487 9.3475 9.3685 10.0295 10.0522 12.9355 12.9435 21.8616 21.8617 25.9071 25.9294 k = 0.0000 0.4740 0.0467 ( 1050 PWs) bands (ev): -3.3454 -3.3433 -3.2474 -3.2357 -2.7806 -2.7638 -2.6894 -2.6861 -2.5330 -2.5310 0.2214 0.2277 3.7265 3.7269 8.0819 8.0901 9.2630 9.2785 10.2245 10.2433 13.0572 13.0664 21.8637 21.8638 25.6429 25.6660 k = 0.0000 0.4740 0.0545 ( 1050 PWs) bands (ev): -3.3455 -3.3431 -3.2494 -3.2362 -2.7814 -2.7624 -2.6894 -2.6856 -2.5329 -2.5306 0.2305 0.2377 3.7392 3.7397 7.9270 7.9353 9.1678 9.1800 10.4224 10.4391 13.1936 13.2039 21.8663 21.8664 25.3706 25.3944 k = 0.0000 0.4740 0.0623 ( 1056 PWs) bands (ev): -3.3456 -3.3429 -3.2516 -3.2370 -2.7821 -2.7610 -2.6894 -2.6851 -2.5328 -2.5303 0.2410 0.2490 3.7537 3.7544 7.7759 7.7846 9.0650 9.0751 10.6228 10.6384 13.3425 13.3538 21.8691 21.8692 25.0921 25.1165 k = 0.0000 0.4740 0.0701 ( 1048 PWs) bands (ev): -3.3457 -3.3427 -3.2537 -3.2378 -2.7825 -2.7597 -2.6893 -2.6845 -2.5326 -2.5299 0.2527 0.2614 3.7701 3.7709 7.6288 7.6379 8.9569 8.9656 10.8259 10.8409 13.5023 13.5144 21.8723 21.8724 24.8094 24.8343 k = 0.0000 0.4740 0.0779 ( 1044 PWs) bands (ev): -3.3457 -3.3424 -3.2559 -3.2389 -2.7828 -2.7585 -2.6891 -2.6839 -2.5323 -2.5294 0.2655 0.2750 3.7882 3.7891 7.4859 7.4953 8.8452 8.8529 11.0313 11.0460 13.6713 13.6841 21.8757 21.8757 24.5237 24.5490 k = 0.0000 0.4740 0.0856 ( 1042 PWs) bands (ev): -3.3457 -3.3422 -3.2581 -3.2403 -2.7829 -2.7573 -2.6890 -2.6834 -2.5321 -2.5290 0.2794 0.2895 3.8080 3.8090 7.3472 7.3571 8.7313 8.7383 11.2390 11.2536 13.8481 13.8616 21.8793 21.8793 24.2362 24.2618 k = 0.0000 0.4740 0.0934 ( 1042 PWs) bands (ev): -3.3457 -3.3420 -3.2603 -3.2418 -2.7828 -2.7563 -2.6888 -2.6828 -2.5318 -2.5286 0.2944 0.3049 3.8294 3.8306 7.2129 7.2233 8.6164 8.6229 11.4488 11.4633 14.0316 14.0457 21.8830 21.8830 23.9479 23.9739 k = 0.0000 0.4740 0.1012 ( 1042 PWs) bands (ev): -3.3457 -3.3418 -3.2625 -3.2436 -2.7825 -2.7554 -2.6886 -2.6823 -2.5314 -2.5282 0.3101 0.3211 3.8523 3.8537 7.0831 7.0940 8.5014 8.5076 11.6604 11.6751 14.2208 14.2355 21.8867 21.8868 23.6600 23.6862 k = 0.0000 0.4740 0.1090 ( 1042 PWs) bands (ev): -3.3457 -3.3416 -3.2647 -3.2456 -2.7821 -2.7546 -2.6884 -2.6817 -2.5311 -2.5278 0.3266 0.3380 3.8766 3.8783 6.9580 6.9693 8.3871 8.3932 11.8738 11.8887 14.4149 14.4301 21.8903 21.8905 23.3735 23.4000 k = 0.0000 0.4740 0.1168 ( 1042 PWs) bands (ev): -3.3456 -3.3414 -3.2669 -3.2477 -2.7814 -2.7539 -2.6881 -2.6812 -2.5306 -2.5274 0.3438 0.3553 3.9022 3.9041 6.8378 6.8495 8.2742 8.2802 12.0887 12.1037 14.6129 14.6286 21.8936 21.8941 23.0893 23.1162 k = 0.0000 0.4740 0.1246 ( 1040 PWs) bands (ev): -3.3455 -3.3411 -3.2690 -3.2498 -2.7807 -2.7533 -2.6879 -2.6808 -2.5302 -2.5270 0.3614 0.3730 3.9290 3.9312 6.7224 6.7346 8.1634 8.1693 12.3048 12.3200 14.8142 14.8303 21.8962 21.8971 22.8089 22.8362 k = 0.0000 0.4740 0.1324 ( 1040 PWs) bands (ev): -3.3454 -3.3410 -3.2710 -3.2522 -2.7797 -2.7528 -2.6875 -2.6803 -2.5297 -2.5266 0.3793 0.3910 3.9569 3.9592 6.6122 6.6248 8.0552 8.0611 12.5218 12.5372 15.0179 15.0344 21.8972 21.8987 22.5336 22.5617 k = 0.0000 0.4740 0.1401 ( 1040 PWs) bands (ev): -3.3453 -3.3408 -3.2729 -3.2546 -2.7787 -2.7525 -2.6872 -2.6799 -2.5292 -2.5262 0.3974 0.4090 3.9855 3.9881 6.5073 6.5203 7.9501 7.9560 12.7393 12.7549 15.2231 15.2400 21.8931 21.8959 22.2678 22.2971 k = 0.0000 0.4740 0.1479 ( 1040 PWs) bands (ev): -3.3452 -3.3407 -3.2748 -3.2571 -2.7775 -2.7522 -2.6868 -2.6796 -2.5287 -2.5258 0.4155 0.4269 4.0148 4.0177 6.4079 6.4211 7.8487 7.8545 12.9570 12.9727 15.4290 15.4462 21.8630 21.8660 22.0350 22.0646 k = 0.0000 0.4740 0.1557 ( 1040 PWs) bands (ev): -3.3450 -3.3406 -3.2765 -3.2596 -2.7763 -2.7520 -2.6864 -2.6793 -2.5282 -2.5254 0.4335 0.4445 4.0445 4.0476 6.3140 6.3274 7.7512 7.7571 13.1741 13.1900 15.6344 15.6519 21.6972 21.7107 21.9486 21.9618 k = 0.0000 0.4740 0.1635 ( 1036 PWs) bands (ev): -3.3448 -3.3405 -3.2781 -3.2621 -2.7749 -2.7519 -2.6860 -2.6790 -2.5276 -2.5250 0.4511 0.4618 4.0743 4.0777 6.2260 6.2395 7.6584 7.6641 13.3901 13.4061 15.8380 15.8557 21.4609 21.4803 21.9388 21.9460 k = 0.0000 0.4740 0.1713 ( 1036 PWs) bands (ev): -3.3447 -3.3404 -3.2796 -3.2646 -2.7735 -2.7519 -2.6855 -2.6788 -2.5271 -2.5246 0.4682 0.4784 4.1040 4.1075 6.1440 6.1574 7.5705 7.5762 13.6042 13.6202 16.0383 16.0561 21.2264 21.2475 21.9381 21.9439 k = 0.0000 0.4740 0.1791 ( 1036 PWs) bands (ev): -3.3445 -3.3404 -3.2809 -3.2670 -2.7721 -2.7521 -2.6851 -2.6787 -2.5266 -2.5243 0.4846 0.4942 4.1332 4.1369 6.0682 6.0814 7.4880 7.4936 13.8153 13.8312 16.2332 16.2510 21.0035 21.0252 21.9393 21.9447 k = 0.0000 0.4740 0.1869 ( 1036 PWs) bands (ev): -3.3442 -3.3404 -3.2821 -3.2694 -2.7706 -2.7523 -2.6846 -2.6786 -2.5261 -2.5240 0.5002 0.5091 4.1616 4.1654 5.9987 6.0116 7.4115 7.4168 14.0221 14.0378 16.4202 16.4380 20.7970 20.8189 21.9404 21.9464 k = 0.0000 0.4740 0.1946 ( 1032 PWs) bands (ev): -3.3440 -3.3404 -3.2831 -3.2716 -2.7691 -2.7526 -2.6841 -2.6786 -2.5255 -2.5237 0.5147 0.5229 4.1888 4.1926 5.9359 5.9482 7.3414 7.3464 14.2230 14.2384 16.5963 16.6138 20.6115 20.6333 21.9395 21.9478 k = 0.0000 0.4740 0.2024 ( 1032 PWs) bands (ev): -3.3437 -3.3404 -3.2839 -3.2738 -2.7676 -2.7530 -2.6836 -2.6787 -2.5251 -2.5235 0.5281 0.5354 4.2144 4.2181 5.8799 5.8915 7.2781 7.2828 14.4159 14.4307 16.7577 16.7748 20.4520 20.4737 21.9242 21.9426 k = 0.0000 0.4740 0.2102 ( 1038 PWs) bands (ev): -3.3435 -3.3406 -3.2845 -3.2758 -2.7662 -2.7535 -2.6832 -2.6788 -2.5247 -2.5233 0.5401 0.5465 4.2379 4.2415 5.8310 5.8415 7.2222 7.2264 14.5980 14.6119 16.9005 16.9167 20.3243 20.3458 21.7527 21.7645 k = 0.0000 0.4740 0.2180 ( 1038 PWs) bands (ev): -3.3432 -3.3407 -3.2849 -3.2776 -2.7648 -2.7541 -2.6827 -2.6790 -2.5244 -2.5232 0.5506 0.5560 4.2589 4.2621 5.7893 5.7986 7.1741 7.1777 14.7658 14.7787 17.0205 17.0355 20.2346 20.2561 21.4995 21.5186 k = 0.0000 0.4740 0.2258 ( 1038 PWs) bands (ev): -3.3429 -3.3409 -3.2852 -3.2793 -2.7634 -2.7548 -2.6822 -2.6792 -2.5240 -2.5231 0.5595 0.5639 4.2769 4.2797 5.7551 5.7629 7.1341 7.1371 14.9152 14.9264 17.1148 17.1281 20.1884 20.2098 21.2564 21.2774 k = 0.0000 0.4740 0.2336 ( 1038 PWs) bands (ev): -3.3426 -3.3411 -3.2852 -3.2808 -2.7621 -2.7556 -2.6818 -2.6794 -2.5237 -2.5230 0.5667 0.5700 4.2916 4.2938 5.7285 5.7346 7.1027 7.1050 15.0409 15.0500 17.1830 17.1938 20.1889 20.2103 21.0274 21.0490 k = 0.0000 0.4740 0.2414 ( 1036 PWs) bands (ev): -3.3423 -3.3413 -3.2850 -3.2820 -2.7608 -2.7565 -2.6813 -2.6797 -2.5235 -2.5230 0.5720 0.5743 4.3025 4.3040 5.7098 5.7139 7.0801 7.0817 15.1372 15.1437 17.2272 17.2349 20.2364 20.2578 20.8160 20.8377 k = 0.0000 0.4740 0.2491 ( 1036 PWs) bands (ev): -3.3420 -3.3415 -3.2846 -3.2831 -2.7596 -2.7575 -2.6809 -2.6801 -2.5233 -2.5230 0.5755 0.5766 4.3093 4.3101 5.6989 5.7010 7.0667 7.0675 15.1985 15.2019 17.2517 17.2557 20.3271 20.3483 20.6272 20.6486 k = 0.0000 0.4740 0.2569 ( 1036 PWs) bands (ev): -3.3417 -3.3417 -3.2839 -3.2839 -2.7585 -2.7585 -2.6804 -2.6804 -2.5231 -2.5231 0.5770 0.5770 4.3119 4.3119 5.6960 5.6960 7.0624 7.0624 15.2207 15.2207 17.2607 17.2607 20.4407 20.4407 20.5023 20.5023 k = 0.5000-0.0000 0.2569 ( 1048 PWs) bands (ev): -3.2792 -3.2792 -3.2018 -3.2018 -2.7955 -2.7955 -2.6711 -2.6711 -2.5495 -2.5495 1.1672 1.1672 4.7257 4.7257 6.0352 6.0352 8.0586 8.0586 16.3519 16.3519 17.5928 17.5928 20.3240 20.3240 20.3481 20.3481 k = 0.5000-0.0000 0.2491 ( 1048 PWs) bands (ev): -3.2793 -3.2791 -3.2018 -3.2017 -2.7956 -2.7954 -2.6714 -2.6708 -2.5500 -2.5493 1.1670 1.1670 4.7240 4.7241 6.0384 6.0385 8.0624 8.0624 16.2909 16.2971 17.6467 17.6579 20.2778 20.2783 20.3273 20.3356 k = 0.5000-0.0000 0.2414 ( 1048 PWs) bands (ev): -3.2794 -3.2790 -3.2018 -3.2016 -2.7958 -2.7953 -2.6717 -2.6706 -2.5508 -2.5494 1.1662 1.1663 4.7190 4.7190 6.0481 6.0484 8.0738 8.0738 16.1402 16.1498 17.7961 17.8160 20.1231 20.1232 20.3231 20.3387 k = 0.5000-0.0000 0.2336 ( 1052 PWs) bands (ev): -3.2796 -3.2790 -3.2018 -3.2016 -2.7960 -2.7953 -2.6721 -2.6705 -2.5519 -2.5499 1.1649 1.1651 4.7106 4.7107 6.0642 6.0646 8.0927 8.0927 15.9396 15.9504 18.0002 18.0271 19.9209 19.9211 20.3205 20.3443 k = 0.5000-0.0000 0.2258 ( 1056 PWs) bands (ev): -3.2797 -3.2790 -3.2019 -3.2015 -2.7962 -2.7953 -2.6724 -2.6703 -2.5533 -2.5506 1.1632 1.1635 4.6992 4.6993 6.0868 6.0874 8.1188 8.1189 15.7141 15.7251 18.2323 18.2664 19.6983 19.6986 20.3184 20.3517 k = 0.5000-0.0000 0.2180 ( 1048 PWs) bands (ev): -3.2799 -3.2790 -3.2017 -3.2012 -2.7964 -2.7953 -2.6728 -2.6702 -2.5550 -2.5516 1.1610 1.1614 4.6849 4.6850 6.1158 6.1165 8.1521 8.1521 15.4762 15.4869 18.4787 18.5211 19.4673 19.4676 20.3170 20.3615 k = 0.5000-0.0000 0.2102 ( 1050 PWs) bands (ev): -3.2801 -3.2790 -3.2017 -3.2011 -2.7966 -2.7953 -2.6732 -2.6701 -2.5569 -2.5529 1.1584 1.1589 4.6679 4.6680 6.1511 6.1520 8.1920 8.1921 15.2320 15.2423 18.7313 18.7843 19.2332 19.2332 20.3167 20.3750 k = 0.5000-0.0000 0.2024 ( 1050 PWs) bands (ev): -3.2804 -3.2792 -3.2015 -3.2009 -2.7969 -2.7954 -2.6737 -2.6700 -2.5590 -2.5544 1.1554 1.1560 4.6485 4.6487 6.1928 6.1938 8.2383 8.2384 14.9848 14.9947 18.9814 18.9932 19.0016 19.0577 20.3181 20.3944 k = 0.5000-0.0000 0.1946 ( 1046 PWs) bands (ev): -3.2805 -3.2792 -3.2014 -3.2007 -2.7971 -2.7955 -2.6741 -2.6700 -2.5613 -2.5562 1.1521 1.1527 4.6271 4.6272 6.2406 6.2418 8.2906 8.2908 14.7367 14.7461 18.7637 18.7646 19.2330 19.3229 20.3229 20.4235 k = 0.5000-0.0000 0.1869 ( 1046 PWs) bands (ev): -3.2808 -3.2793 -3.2013 -3.2006 -2.7974 -2.7956 -2.6746 -2.6700 -2.5639 -2.5581 1.1485 1.1491 4.6039 4.6041 6.2946 6.2959 8.3485 8.3487 14.4887 14.4977 18.5325 18.5332 19.4676 19.5881 20.3347 20.4693 k = 0.5000-0.0000 0.1791 ( 1046 PWs) bands (ev): -3.2810 -3.2794 -3.2012 -3.2004 -2.7977 -2.7957 -2.6751 -2.6701 -2.5665 -2.5603 1.1446 1.1453 4.5793 4.5795 6.3546 6.3561 8.4115 8.4117 14.2417 14.2503 18.3042 18.3048 19.6763 19.8376 20.3645 20.5433 k = 0.5000-0.0000 0.1713 ( 1046 PWs) bands (ev): -3.2813 -3.2796 -3.2010 -3.2002 -2.7980 -2.7959 -2.6756 -2.6702 -2.5693 -2.5626 1.1405 1.1412 4.5536 4.5537 6.4206 6.4222 8.4792 8.4794 13.9961 14.0043 18.0792 18.0798 19.8436 20.0383 20.4446 20.6604 k = 0.5000-0.0000 0.1635 ( 1050 PWs) bands (ev): -3.2816 -3.2797 -3.2009 -3.2000 -2.7984 -2.7961 -2.6762 -2.6705 -2.5722 -2.5651 1.1362 1.1370 4.5270 4.5272 6.4924 6.4941 8.5511 8.5513 13.7524 13.7602 17.8582 17.8588 19.9609 20.1465 20.6181 20.8284 k = 0.5000-0.0000 0.1557 ( 1052 PWs) bands (ev): -3.2819 -3.2800 -3.2008 -3.1999 -2.7987 -2.7964 -2.6768 -2.6707 -2.5751 -2.5676 1.1318 1.1326 4.4999 4.5001 6.5699 6.5717 8.6267 8.6269 13.5108 13.5184 17.6415 17.6420 20.0351 20.1876 20.8592 21.0401 k = 0.5000-0.0000 0.1479 ( 1052 PWs) bands (ev): -3.2822 -3.2802 -3.2006 -3.1997 -2.7991 -2.7966 -2.6773 -2.6710 -2.5780 -2.5702 1.1273 1.1281 4.4726 4.4728 6.6529 6.6549 8.7055 8.7057 13.2716 13.2789 17.4295 17.4300 20.0805 20.2031 21.1256 21.2804 k = 0.5000-0.0000 0.1401 ( 1052 PWs) bands (ev): -3.2825 -3.2804 -3.2005 -3.1995 -2.7994 -2.7969 -2.6779 -2.6714 -2.5808 -2.5728 1.1228 1.1236 4.4453 4.4455 6.7415 6.7436 8.7870 8.7871 13.0351 13.0421 17.2225 17.2230 20.1089 20.2090 21.4009 21.5374 k = 0.5000-0.0000 0.1324 ( 1048 PWs) bands (ev): -3.2827 -3.2807 -3.2003 -3.1993 -2.7998 -2.7972 -2.6785 -2.6718 -2.5837 -2.5755 1.1183 1.1191 4.4183 4.4185 6.8354 6.8377 8.8706 8.8708 12.8013 12.8081 17.0212 17.0217 20.1270 20.2105 21.6793 21.8034 k = 0.5000-0.0000 0.1246 ( 1048 PWs) bands (ev): -3.2830 -3.2809 -3.2001 -3.1991 -2.8001 -2.7976 -2.6791 -2.6723 -2.5864 -2.5781 1.1138 1.1146 4.3918 4.3920 6.9345 6.9369 8.9558 8.9560 12.5704 12.5770 16.8256 16.8261 20.1390 20.2098 21.9580 22.0740 k = 0.5000-0.0000 0.1168 ( 1048 PWs) bands (ev): -3.2833 -3.2812 -3.1999 -3.1990 -2.8005 -2.7979 -2.6797 -2.6728 -2.5890 -2.5807 1.1094 1.1102 4.3660 4.3662 7.0387 7.0412 9.0420 9.0422 12.3426 12.3490 16.6364 16.6368 20.1469 20.2078 22.2352 22.3462 k = 0.5000-0.0000 0.1090 ( 1048 PWs) bands (ev): -3.2836 -3.2815 -3.1998 -3.1989 -2.8008 -2.7983 -2.6803 -2.6734 -2.5915 -2.5833 1.1052 1.1059 4.3411 4.3413 7.1477 7.1504 9.1286 9.1288 12.1181 12.1243 16.4540 16.4544 20.1523 20.2050 22.5097 22.6178 k = 0.5000-0.0000 0.1012 ( 1052 PWs) bands (ev): -3.2838 -3.2818 -3.1997 -3.1988 -2.8012 -2.7987 -2.6809 -2.6741 -2.5938 -2.5857 1.1010 1.1018 4.3172 4.3174 7.2615 7.2643 9.2149 9.2151 11.8970 11.9029 16.2789 16.2793 20.1558 20.2018 22.7802 22.8873 k = 0.5000-0.0000 0.0934 ( 1052 PWs) bands (ev): -3.2841 -3.2822 -3.1995 -3.1986 -2.8015 -2.7991 -2.6814 -2.6748 -2.5959 -2.5881 1.0971 1.0979 4.2946 4.2947 7.3798 7.3827 9.3003 9.3004 11.6794 11.6852 16.1119 16.1123 20.1580 20.1984 23.0453 23.1528 k = 0.5000-0.0000 0.0856 ( 1048 PWs) bands (ev): -3.2843 -3.2825 -3.1994 -3.1985 -2.8018 -2.7995 -2.6819 -2.6756 -2.5978 -2.5903 1.0934 1.0941 4.2733 4.2734 7.5025 7.5055 9.3838 9.3840 11.4656 11.4712 15.9535 15.9538 20.1595 20.1948 23.3039 23.4129 k = 0.5000-0.0000 0.0779 ( 1040 PWs) bands (ev): -3.2845 -3.2827 -3.1992 -3.1984 -2.8020 -2.7998 -2.6823 -2.6763 -2.5995 -2.5924 1.0900 1.0906 4.2534 4.2536 7.6291 7.6322 9.4647 9.4649 11.2558 11.2612 15.8045 15.8048 20.1603 20.1912 23.5542 23.6660 k = 0.5000-0.0000 0.0701 ( 1040 PWs) bands (ev): -3.2846 -3.2830 -3.1991 -3.1984 -2.8023 -2.8002 -2.6827 -2.6771 -2.6010 -2.5944 1.0868 1.0874 4.2352 4.2353 7.7595 7.7627 9.5422 9.5424 11.0504 11.0556 15.6656 15.6658 20.1608 20.1877 23.7945 23.9101 k = 0.5000-0.0000 0.0623 ( 1040 PWs) bands (ev): -3.2848 -3.2833 -3.1990 -3.1983 -2.8025 -2.8006 -2.6831 -2.6779 -2.6023 -2.5962 1.0839 1.0844 4.2186 4.2187 7.8931 7.8964 9.6152 9.6155 10.8498 10.8548 15.5377 15.5379 20.1610 20.1843 24.0231 24.1433 k = 0.5000-0.0000 0.0545 ( 1048 PWs) bands (ev): -3.2850 -3.2836 -3.1989 -3.1984 -2.8027 -2.8010 -2.6835 -2.6788 -2.6034 -2.5979 1.0813 1.0818 4.2038 4.2039 8.0294 8.0328 9.6828 9.6831 10.6545 10.6594 15.4216 15.4218 20.1612 20.1810 24.2378 24.3635 k = 0.5000-0.0000 0.0467 ( 1048 PWs) bands (ev): -3.2851 -3.2839 -3.1988 -3.1983 -2.8029 -2.8014 -2.6837 -2.6796 -2.6043 -2.5995 1.0790 1.0794 4.1908 4.1909 8.1674 8.1708 9.7440 9.7443 10.4657 10.4703 15.3185 15.3187 20.1613 20.1780 24.4366 24.5683 k = 0.5000-0.0000 0.0389 ( 1048 PWs) bands (ev): -3.2852 -3.2842 -3.1988 -3.1983 -2.8030 -2.8017 -2.6838 -2.6804 -2.6049 -2.6008 1.0770 1.0774 4.1797 4.1798 8.3057 8.3091 9.7973 9.7978 10.2850 10.2892 15.2292 15.2293 20.1615 20.1752 24.6175 24.7553 k = 0.5000-0.0000 0.0311 ( 1048 PWs) bands (ev): -3.2852 -3.2844 -3.1987 -3.1983 -2.8031 -2.8020 -2.6839 -2.6811 -2.6053 -2.6020 1.0754 1.0757 4.1706 4.1707 8.4419 8.4452 9.8412 9.8419 10.1157 10.1193 15.1545 15.1547 20.1618 20.1726 24.7787 24.9217 k = 0.5000-0.0000 0.0234 ( 1048 PWs) bands (ev): -3.2852 -3.2846 -3.1986 -3.1983 -2.8031 -2.8023 -2.6839 -2.6817 -2.6056 -2.6031 1.0742 1.0744 4.1635 4.1635 8.5715 8.5746 9.8678 9.8698 9.9691 9.9709 15.0955 15.0956 20.1623 20.1703 24.9189 25.0640 k = 0.5000-0.0000 0.0156 ( 1048 PWs) bands (ev): -3.2852 -3.2848 -3.1985 -3.1984 -2.8031 -2.8025 -2.6837 -2.6823 -2.6056 -2.6039 1.0733 1.0735 4.1583 4.1584 8.6861 8.6887 9.8076 9.8113 9.9218 9.9224 15.0528 15.0528 20.1630 20.1683 25.0373 25.1748 k = 0.5000-0.0000 0.0078 ( 1046 PWs) bands (ev): -3.2851 -3.2849 -3.1985 -3.1984 -2.8030 -2.8027 -2.6835 -2.6828 -2.6055 -2.6046 1.0728 1.0729 4.1553 4.1553 8.7707 8.7723 9.7188 9.7208 9.9321 9.9323 15.0269 15.0269 20.1639 20.1666 25.1332 25.2287 k = 0.5000-0.0000-0.0000 ( 1042 PWs) bands (ev): -3.2850 -3.2850 -3.1984 -3.1984 -2.8028 -2.8028 -2.6832 -2.6832 -2.6051 -2.6051 1.0727 1.0727 4.1542 4.1542 8.8036 8.8036 9.6847 9.6847 9.9368 9.9368 15.0183 15.0183 20.1651 20.1651 25.2032 25.2032 k = 0.5000 0.4740-0.0000 ( 1044 PWs) bands (ev): -3.3047 -3.3047 -3.2146 -3.2146 -2.8771 -2.8771 -2.6752 -2.6752 -2.3085 -2.3085 5.1969 5.1969 7.3880 7.3880 7.7656 7.7656 11.7259 11.7259 12.8166 12.8166 14.0462 14.0462 15.6575 15.6575 16.3124 16.3124 k = 0.5000 0.4740 0.0078 ( 1044 PWs) bands (ev): -3.3047 -3.3046 -3.2148 -3.2145 -2.8772 -2.8771 -2.6754 -2.6750 -2.3086 -2.3085 5.1976 5.1977 7.3883 7.3883 7.7660 7.7662 11.7262 11.7269 12.7910 12.8081 14.0412 14.0742 15.6424 15.6580 16.3058 16.3058 k = 0.5000 0.4740 0.0156 ( 1040 PWs) bands (ev): -3.3047 -3.3046 -3.2150 -3.2143 -2.8773 -2.8770 -2.6754 -2.6746 -2.3086 -2.3085 5.1998 5.2000 7.3892 7.3894 7.7673 7.7676 11.7276 11.7291 12.7353 12.7665 14.0572 14.1200 15.6161 15.6467 16.2862 16.2862 k = 0.5000 0.4740 0.0234 ( 1040 PWs) bands (ev): -3.3047 -3.3045 -3.2152 -3.2141 -2.8774 -2.8771 -2.6754 -2.6743 -2.3086 -2.3085 5.2035 5.2037 7.3909 7.3912 7.7695 7.7700 11.7303 11.7326 12.6563 12.6972 14.0863 14.1739 15.5869 15.6312 16.2542 16.2544 k = 0.5000 0.4740 0.0311 ( 1044 PWs) bands (ev): -3.3048 -3.3045 -3.2155 -3.2141 -2.8776 -2.8772 -2.6754 -2.6738 -2.3086 -2.3084 5.2085 5.2088 7.3932 7.3936 7.7726 7.7733 11.7340 11.7373 12.5608 12.6075 14.1175 14.2243 15.5660 15.6215 16.2111 16.2115 k = 0.5000 0.4740 0.0389 ( 1048 PWs) bands (ev): -3.3048 -3.3045 -3.2157 -3.2140 -2.8779 -2.8773 -2.6752 -2.6733 -2.3086 -2.3084 5.2150 5.2154 7.3962 7.3967 7.7765 7.7775 11.7386 11.7433 12.4544 12.5038 14.1403 14.2600 15.5646 15.6275 16.1583 16.1590 k = 0.5000 0.4740 0.0467 ( 1056 PWs) bands (ev): -3.3049 -3.3045 -3.2160 -3.2140 -2.8782 -2.8775 -2.6750 -2.6728 -2.3087 -2.3085 5.2228 5.2233 7.3997 7.4004 7.7814 7.7826 11.7440 11.7504 12.3415 12.3911 14.1465 14.2721 15.5918 15.6565 16.0976 16.0983 k = 0.5000 0.4740 0.0545 ( 1056 PWs) bands (ev): -3.3049 -3.3045 -3.2162 -3.2139 -2.8784 -2.8777 -2.6747 -2.6721 -2.3087 -2.3085 5.2320 5.2325 7.4039 7.4046 7.7871 7.7885 11.7496 11.7587 12.2253 12.2729 14.1322 14.2570 15.6512 15.7121 16.0307 16.0311 k = 0.5000 0.4740 0.0623 ( 1056 PWs) bands (ev): -3.3050 -3.3044 -3.2164 -3.2139 -2.8787 -2.8779 -2.6743 -2.6715 -2.3087 -2.3084 5.2424 5.2430 7.4087 7.4095 7.7936 7.7952 11.7545 11.7682 12.1089 12.1517 14.0973 14.2167 15.7413 15.7926 15.9586 15.9606 k = 0.5000 0.4740 0.0701 ( 1056 PWs) bands (ev): -3.3050 -3.3044 -3.2167 -3.2138 -2.8791 -2.8782 -2.6738 -2.6707 -2.3087 -2.3084 5.2541 5.2546 7.4139 7.4149 7.8009 7.8027 11.7554 11.7787 11.9967 12.0293 14.0447 14.1561 15.8571 15.8589 15.8824 15.9248 k = 0.5000 0.4740 0.0779 ( 1052 PWs) bands (ev): -3.3050 -3.3043 -3.2168 -3.2138 -2.8794 -2.8784 -2.6732 -2.6699 -2.3087 -2.3084 5.2668 5.2674 7.4197 7.4207 7.8089 7.8109 11.7412 11.7902 11.9011 11.9070 13.9786 14.0812 15.7955 15.8035 15.9928 16.0356 k = 0.5000 0.4740 0.0856 ( 1056 PWs) bands (ev): -3.3050 -3.3043 -3.2171 -3.2139 -2.8798 -2.8788 -2.6727 -2.6691 -2.3087 -2.3083 5.2806 5.2812 7.4259 7.4270 7.8177 7.8198 11.6836 11.7849 11.8034 11.8512 13.9027 13.9967 15.7167 15.7231 16.1436 16.1759 k = 0.5000 0.4740 0.0934 ( 1052 PWs) bands (ev): -3.3050 -3.3043 -3.2173 -3.2139 -2.8802 -2.8791 -2.6719 -2.6682 -2.3087 -2.3083 5.2953 5.2960 7.4324 7.4337 7.8270 7.8294 11.5874 11.6660 11.8161 11.8426 13.8206 13.9066 15.6362 15.6421 16.3056 16.3295 k = 0.5000 0.4740 0.1012 ( 1048 PWs) bands (ev): -3.3049 -3.3042 -3.2175 -3.2140 -2.8805 -2.8794 -2.6712 -2.6673 -2.3087 -2.3082 5.3108 5.3115 7.4394 7.4408 7.8370 7.8395 11.4802 11.5489 11.8302 11.8483 13.7349 13.8136 15.5556 15.5612 16.4759 16.4928 k = 0.5000 0.4740 0.1090 ( 1052 PWs) bands (ev): -3.3049 -3.3042 -3.2177 -3.2141 -2.8809 -2.8798 -2.6705 -2.6665 -2.3087 -2.3082 5.3270 5.3278 7.4465 7.4481 7.8475 7.8502 11.3717 11.4346 11.8449 11.8589 13.6475 13.7197 15.4757 15.4812 16.6524 16.6633 k = 0.5000 0.4740 0.1168 ( 1052 PWs) bands (ev): -3.3049 -3.3041 -3.2179 -3.2142 -2.8813 -2.8801 -2.6697 -2.6657 -2.3087 -2.3082 5.3439 5.3446 7.4539 7.4556 7.8584 7.8613 11.2649 11.3235 11.8602 11.8717 13.5600 13.6263 15.3972 15.4027 16.8335 16.8394 k = 0.5000 0.4740 0.1246 ( 1048 PWs) bands (ev): -3.3049 -3.3041 -3.2180 -3.2143 -2.8817 -2.8805 -2.6688 -2.6648 -2.3086 -2.3082 5.3612 5.3619 7.4615 7.4632 7.8697 7.8728 11.1610 11.2161 11.8760 11.8859 13.4736 13.5345 15.3208 15.3261 17.0174 17.0195 k = 0.5000 0.4740 0.1324 ( 1052 PWs) bands (ev): -3.3048 -3.3040 -3.2182 -3.2145 -2.8821 -2.8809 -2.6680 -2.6640 -2.3086 -2.3082 5.3787 5.3795 7.4691 7.4709 7.8813 7.8846 11.0605 11.1126 11.8921 11.9008 13.3892 13.4451 15.2467 15.2520 17.1931 17.2023 k = 0.5000 0.4740 0.1401 ( 1048 PWs) bands (ev): -3.3048 -3.3040 -3.2183 -3.2146 -2.8824 -2.8812 -2.6671 -2.6632 -2.3086 -2.3081 5.3965 5.3973 7.4768 7.4787 7.8932 7.8965 10.9642 11.0134 11.9084 11.9162 13.3076 13.3588 15.1755 15.1807 17.1303 17.1342 k = 0.5000 0.4740 0.1479 ( 1048 PWs) bands (ev): -3.3048 -3.3040 -3.2184 -3.2148 -2.8828 -2.8816 -2.6663 -2.6624 -2.3085 -2.3081 5.4142 5.4150 7.4844 7.4863 7.9051 7.9086 10.8723 10.9186 11.9247 11.9318 13.2293 13.2762 15.1075 15.1125 17.0444 17.0477 k = 0.5000 0.4740 0.1557 ( 1048 PWs) bands (ev): -3.3048 -3.3040 -3.2185 -3.2150 -2.8832 -2.8820 -2.6654 -2.6616 -2.3085 -2.3081 5.4318 5.4326 7.4919 7.4939 7.9171 7.9206 10.7851 10.8287 11.9409 11.9475 13.1549 13.1976 15.0430 15.0478 16.9627 16.9657 k = 0.5000 0.4740 0.1635 ( 1048 PWs) bands (ev): -3.3047 -3.3040 -3.2185 -3.2152 -2.8835 -2.8824 -2.6645 -2.6609 -2.3085 -2.3080 5.4491 5.4498 7.4992 7.5012 7.9289 7.9325 10.7031 10.7439 11.9569 11.9629 13.0847 13.1235 14.9822 14.9869 16.8857 16.8886 k = 0.5000 0.4740 0.1713 ( 1048 PWs) bands (ev): -3.3047 -3.3040 -3.2186 -3.2154 -2.8838 -2.8827 -2.6637 -2.6602 -2.3084 -2.3080 5.4658 5.4665 7.5062 7.5082 7.9405 7.9441 10.6264 10.6643 11.9724 11.9780 13.0191 13.0542 14.9255 14.9299 16.8138 16.8165 k = 0.5000 0.4740 0.1791 ( 1048 PWs) bands (ev): -3.3047 -3.3040 -3.2186 -3.2156 -2.8841 -2.8831 -2.6628 -2.6596 -2.3084 -2.3080 5.4818 5.4825 7.5130 7.5149 7.9518 7.9553 10.5554 10.5904 11.9874 11.9926 12.9583 12.9898 14.8730 14.8771 16.7472 16.7498 k = 0.5000 0.4740 0.1869 ( 1048 PWs) bands (ev): -3.3046 -3.3040 -3.2187 -3.2159 -2.8844 -2.8834 -2.6621 -2.6591 -2.3083 -2.3080 5.4970 5.4976 7.5193 7.5211 7.9626 7.9661 10.4903 10.5223 12.0016 12.0064 12.9028 12.9308 14.8250 14.8288 16.6862 16.6886 k = 0.5000 0.4740 0.1946 ( 1048 PWs) bands (ev): -3.3046 -3.3041 -3.2186 -3.2161 -2.8846 -2.8837 -2.6613 -2.6586 -2.3083 -2.3080 5.5111 5.5117 7.5252 7.5269 7.9728 7.9761 10.4314 10.4603 12.0149 12.0193 12.8527 12.8772 14.7816 14.7851 16.6309 16.6331 k = 0.5000 0.4740 0.2024 ( 1048 PWs) bands (ev): -3.3046 -3.3041 -3.2186 -3.2164 -2.8848 -2.8840 -2.6606 -2.6582 -2.3083 -2.3080 5.5241 5.5246 7.5305 7.5322 7.9823 7.9853 10.3790 10.4046 12.0271 12.0310 12.8081 12.8294 14.7429 14.7460 16.5817 16.5836 k = 0.5000 0.4740 0.2102 ( 1044 PWs) bands (ev): -3.3045 -3.3041 -3.2185 -3.2166 -2.8849 -2.8842 -2.6599 -2.6578 -2.3082 -2.3080 5.5356 5.5361 7.5353 7.5368 7.9908 7.9936 10.3333 10.3556 12.0381 12.0416 12.7694 12.7874 14.7092 14.7119 16.5386 16.5403 k = 0.5000 0.4740 0.2180 ( 1044 PWs) bands (ev): -3.3045 -3.3041 -3.2185 -3.2168 -2.8851 -2.8845 -2.6593 -2.6575 -2.3082 -2.3080 5.5457 5.5461 7.5395 7.5408 7.9984 8.0008 10.2946 10.3133 12.0477 12.0507 12.7365 12.7514 14.6804 14.6828 16.5019 16.5033 k = 0.5000 0.4740 0.2258 ( 1044 PWs) bands (ev): -3.3045 -3.3042 -3.2184 -3.2170 -2.8852 -2.8847 -2.6588 -2.6573 -2.3082 -2.3080 5.5542 5.5544 7.5430 7.5441 8.0048 8.0069 10.2629 10.2781 12.0558 12.0583 12.7097 12.7215 14.6569 14.6587 16.4716 16.4728 k = 0.5000 0.4740 0.2336 ( 1044 PWs) bands (ev): -3.3044 -3.3042 -3.2183 -3.2172 -2.8852 -2.8849 -2.6583 -2.6572 -2.3081 -2.3080 5.5608 5.5611 7.5458 7.5466 8.0100 8.0116 10.2385 10.2500 12.0624 12.0643 12.6891 12.6978 14.6385 14.6399 16.4480 16.4489 k = 0.5000 0.4740 0.2414 ( 1048 PWs) bands (ev): -3.3044 -3.3042 -3.2182 -3.2175 -2.8853 -2.8850 -2.6581 -2.6573 -2.3081 -2.3080 5.5657 5.5658 7.5479 7.5484 8.0139 8.0150 10.2216 10.2293 12.0672 12.0685 12.6746 12.6804 14.6254 14.6263 16.4311 16.4317 k = 0.5000 0.4740 0.2491 ( 1052 PWs) bands (ev): -3.3044 -3.3043 -3.2181 -3.2177 -2.8853 -2.8852 -2.6578 -2.6574 -2.3081 -2.3080 5.5686 5.5687 7.5492 7.5495 8.0164 8.0169 10.2121 10.2160 12.0702 12.0709 12.6665 12.6694 14.6176 14.6181 16.4210 16.4213 k = 0.5000 0.4740 0.2569 ( 1056 PWs) bands (ev): -3.3044 -3.3044 -3.2179 -3.2179 -2.8853 -2.8853 -2.6576 -2.6576 -2.3081 -2.3081 5.5696 5.5696 7.5497 7.5497 8.0174 8.0174 10.2103 10.2103 12.0715 12.0715 12.6648 12.6648 14.6152 14.6152 16.4175 16.4175 Writing output data file GaAs.save init_run : 0.13s CPU 0.37s WALL ( 1 calls) electrons : 76.67s CPU 77.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 76.66s CPU 77.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 640 calls) cegterg : 71.61s CPU 72.52s WALL ( 816 calls) Called by sum_band: Called by *egterg: h_psi : 39.44s CPU 44.95s WALL ( 13387 calls) s_psi : 2.65s CPU 2.78s WALL ( 13387 calls) g_psi : 0.10s CPU 0.11s WALL ( 11931 calls) cdiaghg : 22.83s CPU 23.41s WALL ( 12571 calls) cegterg:over : 1.92s CPU 1.93s WALL ( 11931 calls) cegterg:upda : 0.55s CPU 0.54s WALL ( 11931 calls) cegterg:last : 0.41s CPU 0.43s WALL ( 2599 calls) Called by h_psi: h_psi:vloc : 36.99s CPU 42.15s WALL ( 13387 calls) h_psi:vnl : 2.44s CPU 2.75s WALL ( 13387 calls) add_vuspsi : 1.55s CPU 1.66s WALL ( 13387 calls) General routines calbec : 0.87s CPU 1.06s WALL ( 13387 calls) fft : 0.00s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 35.87s CPU 40.61s WALL ( 798724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.11s WALL ( 1280 calls) Parallel routines fft_scatter : 25.42s CPU 28.51s WALL ( 798747 calls) PWSCF : 1m31.62s CPU 1m36.09s WALL This run was terminated on: 14:49:52 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=