Program PWSCF v.5.1.1 starts on 21May2015 at 12:38:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdTe.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 32 7 2 1714 185 34 Max 33 8 3 1717 214 41 Sum 1549 375 119 82323 9577 1753 bravais-lattice index = 14 lattice parameter (alat) = 5.3105 a.u. unit-cell volume = 301.7832 (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 = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.310508 celldm(2)= 1.076970 celldm(3)= 1.871041 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 1.076970 0.000000 ) a(3) = ( 0.000000 0.000000 1.871041 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.928531 -0.000000 ) b(3) = ( 0.000000 0.000000 0.534462 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 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= 564 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0017730 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0017730 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0017730 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0017730 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0017730 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0017730 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0017730 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0017730 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0017730 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0017730 k( 12) = ( 0.0982143 -0.0000000 -0.0000000), wk = 0.0017730 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0017730 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0017730 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0017730 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0017730 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0017730 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0017730 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0017730 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0017730 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0017730 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0017730 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0017730 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0017730 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0017730 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0017730 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0017730 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0017730 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0017730 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0017730 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0017730 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0017730 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0017730 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0017730 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0017730 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0017730 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0017730 k( 38) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0017730 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0017730 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0017730 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0017730 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0017730 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0017730 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0017730 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0017730 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0017730 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0017730 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0017730 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0017730 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0017730 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0017730 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0017730 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0017730 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0017730 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0017730 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0017730 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0017730 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0017730 k( 59) = ( 0.5000000 0.0089282 -0.0000000), wk = 0.0017730 k( 60) = ( 0.5000000 0.0178564 -0.0000000), wk = 0.0017730 k( 61) = ( 0.5000000 0.0267846 -0.0000000), wk = 0.0017730 k( 62) = ( 0.5000000 0.0357127 -0.0000000), wk = 0.0017730 k( 63) = ( 0.5000000 0.0446409 -0.0000000), wk = 0.0017730 k( 64) = ( 0.5000000 0.0535691 -0.0000000), wk = 0.0017730 k( 65) = ( 0.5000000 0.0624973 -0.0000000), wk = 0.0017730 k( 66) = ( 0.5000000 0.0714255 -0.0000000), wk = 0.0017730 k( 67) = ( 0.5000000 0.0803537 -0.0000000), wk = 0.0017730 k( 68) = ( 0.5000000 0.0892819 -0.0000000), wk = 0.0017730 k( 69) = ( 0.5000000 0.0982100 -0.0000000), wk = 0.0017730 k( 70) = ( 0.5000000 0.1071382 -0.0000000), wk = 0.0017730 k( 71) = ( 0.5000000 0.1160664 -0.0000000), wk = 0.0017730 k( 72) = ( 0.5000000 0.1249946 -0.0000000), wk = 0.0017730 k( 73) = ( 0.5000000 0.1339228 -0.0000000), wk = 0.0017730 k( 74) = ( 0.5000000 0.1428510 -0.0000000), wk = 0.0017730 k( 75) = ( 0.5000000 0.1517792 -0.0000000), wk = 0.0017730 k( 76) = ( 0.5000000 0.1607073 -0.0000000), wk = 0.0017730 k( 77) = ( 0.5000000 0.1696355 -0.0000000), wk = 0.0017730 k( 78) = ( 0.5000000 0.1785637 -0.0000000), wk = 0.0017730 k( 79) = ( 0.5000000 0.1874919 -0.0000000), wk = 0.0017730 k( 80) = ( 0.5000000 0.1964201 -0.0000000), wk = 0.0017730 k( 81) = ( 0.5000000 0.2053483 -0.0000000), wk = 0.0017730 k( 82) = ( 0.5000000 0.2142765 -0.0000000), wk = 0.0017730 k( 83) = ( 0.5000000 0.2232046 -0.0000000), wk = 0.0017730 k( 84) = ( 0.5000000 0.2321328 -0.0000000), wk = 0.0017730 k( 85) = ( 0.5000000 0.2410610 -0.0000000), wk = 0.0017730 k( 86) = ( 0.5000000 0.2499892 -0.0000000), wk = 0.0017730 k( 87) = ( 0.5000000 0.2589174 -0.0000000), wk = 0.0017730 k( 88) = ( 0.5000000 0.2678456 -0.0000000), wk = 0.0017730 k( 89) = ( 0.5000000 0.2767738 -0.0000000), wk = 0.0017730 k( 90) = ( 0.5000000 0.2857019 -0.0000000), wk = 0.0017730 k( 91) = ( 0.5000000 0.2946301 -0.0000000), wk = 0.0017730 k( 92) = ( 0.5000000 0.3035583 -0.0000000), wk = 0.0017730 k( 93) = ( 0.5000000 0.3124865 -0.0000000), wk = 0.0017730 k( 94) = ( 0.5000000 0.3214147 -0.0000000), wk = 0.0017730 k( 95) = ( 0.5000000 0.3303429 -0.0000000), wk = 0.0017730 k( 96) = ( 0.5000000 0.3392711 -0.0000000), wk = 0.0017730 k( 97) = ( 0.5000000 0.3481992 -0.0000000), wk = 0.0017730 k( 98) = ( 0.5000000 0.3571274 -0.0000000), wk = 0.0017730 k( 99) = ( 0.5000000 0.3660556 -0.0000000), wk = 0.0017730 k( 100) = ( 0.5000000 0.3749838 -0.0000000), wk = 0.0017730 k( 101) = ( 0.5000000 0.3839120 -0.0000000), wk = 0.0017730 k( 102) = ( 0.5000000 0.3928402 -0.0000000), wk = 0.0017730 k( 103) = ( 0.5000000 0.4017684 -0.0000000), wk = 0.0017730 k( 104) = ( 0.5000000 0.4106965 -0.0000000), wk = 0.0017730 k( 105) = ( 0.5000000 0.4196247 -0.0000000), wk = 0.0017730 k( 106) = ( 0.5000000 0.4285529 -0.0000000), wk = 0.0017730 k( 107) = ( 0.5000000 0.4374811 -0.0000000), wk = 0.0017730 k( 108) = ( 0.5000000 0.4464093 -0.0000000), wk = 0.0017730 k( 109) = ( 0.5000000 0.4553375 -0.0000000), wk = 0.0017730 k( 110) = ( 0.5000000 0.4642657 -0.0000000), wk = 0.0017730 k( 111) = ( 0.5000000 0.4642657 -0.0000000), wk = 0.0017730 k( 112) = ( 0.4910714 0.4642657 -0.0000000), wk = 0.0017730 k( 113) = ( 0.4821429 0.4642657 -0.0000000), wk = 0.0017730 k( 114) = ( 0.4732143 0.4642657 -0.0000000), wk = 0.0017730 k( 115) = ( 0.4642857 0.4642657 -0.0000000), wk = 0.0017730 k( 116) = ( 0.4553571 0.4642657 -0.0000000), wk = 0.0017730 k( 117) = ( 0.4464286 0.4642657 -0.0000000), wk = 0.0017730 k( 118) = ( 0.4375000 0.4642657 -0.0000000), wk = 0.0017730 k( 119) = ( 0.4285714 0.4642657 -0.0000000), wk = 0.0017730 k( 120) = ( 0.4196429 0.4642657 -0.0000000), wk = 0.0017730 k( 121) = ( 0.4107143 0.4642657 -0.0000000), wk = 0.0017730 k( 122) = ( 0.4017857 0.4642657 -0.0000000), wk = 0.0017730 k( 123) = ( 0.3928571 0.4642657 -0.0000000), wk = 0.0017730 k( 124) = ( 0.3839286 0.4642657 -0.0000000), wk = 0.0017730 k( 125) = ( 0.3750000 0.4642657 -0.0000000), wk = 0.0017730 k( 126) = ( 0.3660714 0.4642657 -0.0000000), wk = 0.0017730 k( 127) = ( 0.3571429 0.4642657 -0.0000000), wk = 0.0017730 k( 128) = ( 0.3482143 0.4642657 -0.0000000), wk = 0.0017730 k( 129) = ( 0.3392857 0.4642657 -0.0000000), wk = 0.0017730 k( 130) = ( 0.3303571 0.4642657 -0.0000000), wk = 0.0017730 k( 131) = ( 0.3214286 0.4642657 -0.0000000), wk = 0.0017730 k( 132) = ( 0.3125000 0.4642657 -0.0000000), wk = 0.0017730 k( 133) = ( 0.3035714 0.4642657 -0.0000000), wk = 0.0017730 k( 134) = ( 0.2946429 0.4642657 -0.0000000), wk = 0.0017730 k( 135) = ( 0.2857143 0.4642657 -0.0000000), wk = 0.0017730 k( 136) = ( 0.2767857 0.4642657 -0.0000000), wk = 0.0017730 k( 137) = ( 0.2678571 0.4642657 -0.0000000), wk = 0.0017730 k( 138) = ( 0.2589286 0.4642657 -0.0000000), wk = 0.0017730 k( 139) = ( 0.2500000 0.4642657 -0.0000000), wk = 0.0017730 k( 140) = ( 0.2410714 0.4642657 -0.0000000), wk = 0.0017730 k( 141) = ( 0.2321429 0.4642657 -0.0000000), wk = 0.0017730 k( 142) = ( 0.2232143 0.4642657 -0.0000000), wk = 0.0017730 k( 143) = ( 0.2142857 0.4642657 -0.0000000), wk = 0.0017730 k( 144) = ( 0.2053571 0.4642657 -0.0000000), wk = 0.0017730 k( 145) = ( 0.1964286 0.4642657 -0.0000000), wk = 0.0017730 k( 146) = ( 0.1875000 0.4642657 -0.0000000), wk = 0.0017730 k( 147) = ( 0.1785714 0.4642657 -0.0000000), wk = 0.0017730 k( 148) = ( 0.1696429 0.4642657 -0.0000000), wk = 0.0017730 k( 149) = ( 0.1607143 0.4642657 -0.0000000), wk = 0.0017730 k( 150) = ( 0.1517857 0.4642657 -0.0000000), wk = 0.0017730 k( 151) = ( 0.1428571 0.4642657 -0.0000000), wk = 0.0017730 k( 152) = ( 0.1339286 0.4642657 -0.0000000), wk = 0.0017730 k( 153) = ( 0.1250000 0.4642657 -0.0000000), wk = 0.0017730 k( 154) = ( 0.1160714 0.4642657 -0.0000000), wk = 0.0017730 k( 155) = ( 0.1071429 0.4642657 -0.0000000), wk = 0.0017730 k( 156) = ( 0.0982143 0.4642657 -0.0000000), wk = 0.0017730 k( 157) = ( 0.0892857 0.4642657 -0.0000000), wk = 0.0017730 k( 158) = ( 0.0803571 0.4642657 -0.0000000), wk = 0.0017730 k( 159) = ( 0.0714286 0.4642657 -0.0000000), wk = 0.0017730 k( 160) = ( 0.0625000 0.4642657 -0.0000000), wk = 0.0017730 k( 161) = ( 0.0535714 0.4642657 -0.0000000), wk = 0.0017730 k( 162) = ( 0.0446429 0.4642657 -0.0000000), wk = 0.0017730 k( 163) = ( 0.0357143 0.4642657 -0.0000000), wk = 0.0017730 k( 164) = ( 0.0267857 0.4642657 -0.0000000), wk = 0.0017730 k( 165) = ( 0.0178571 0.4642657 -0.0000000), wk = 0.0017730 k( 166) = ( 0.0089286 0.4642657 -0.0000000), wk = 0.0017730 k( 167) = ( 0.0000000 0.4642657 -0.0000000), wk = 0.0017730 k( 168) = ( 0.0000000 0.4642657 -0.0000000), wk = 0.0017730 k( 169) = ( 0.0000000 0.4553375 -0.0000000), wk = 0.0017730 k( 170) = ( 0.0000000 0.4464093 -0.0000000), wk = 0.0017730 k( 171) = ( 0.0000000 0.4374811 -0.0000000), wk = 0.0017730 k( 172) = ( 0.0000000 0.4285529 -0.0000000), wk = 0.0017730 k( 173) = ( 0.0000000 0.4196247 -0.0000000), wk = 0.0017730 k( 174) = ( 0.0000000 0.4106965 -0.0000000), wk = 0.0017730 k( 175) = ( 0.0000000 0.4017684 -0.0000000), wk = 0.0017730 k( 176) = ( 0.0000000 0.3928402 -0.0000000), wk = 0.0017730 k( 177) = ( 0.0000000 0.3839120 -0.0000000), wk = 0.0017730 k( 178) = ( 0.0000000 0.3749838 -0.0000000), wk = 0.0017730 k( 179) = ( 0.0000000 0.3660556 -0.0000000), wk = 0.0017730 k( 180) = ( 0.0000000 0.3571274 -0.0000000), wk = 0.0017730 k( 181) = ( 0.0000000 0.3481992 -0.0000000), wk = 0.0017730 k( 182) = ( 0.0000000 0.3392711 -0.0000000), wk = 0.0017730 k( 183) = ( 0.0000000 0.3303429 -0.0000000), wk = 0.0017730 k( 184) = ( 0.0000000 0.3214147 -0.0000000), wk = 0.0017730 k( 185) = ( 0.0000000 0.3124865 -0.0000000), wk = 0.0017730 k( 186) = ( 0.0000000 0.3035583 -0.0000000), wk = 0.0017730 k( 187) = ( 0.0000000 0.2946301 -0.0000000), wk = 0.0017730 k( 188) = ( 0.0000000 0.2857019 -0.0000000), wk = 0.0017730 k( 189) = ( 0.0000000 0.2767738 -0.0000000), wk = 0.0017730 k( 190) = ( 0.0000000 0.2678456 -0.0000000), wk = 0.0017730 k( 191) = ( 0.0000000 0.2589174 -0.0000000), wk = 0.0017730 k( 192) = ( 0.0000000 0.2499892 -0.0000000), wk = 0.0017730 k( 193) = ( 0.0000000 0.2410610 -0.0000000), wk = 0.0017730 k( 194) = ( 0.0000000 0.2321328 -0.0000000), wk = 0.0017730 k( 195) = ( 0.0000000 0.2232046 -0.0000000), wk = 0.0017730 k( 196) = ( 0.0000000 0.2142765 -0.0000000), wk = 0.0017730 k( 197) = ( 0.0000000 0.2053483 -0.0000000), wk = 0.0017730 k( 198) = ( 0.0000000 0.1964201 -0.0000000), wk = 0.0017730 k( 199) = ( 0.0000000 0.1874919 -0.0000000), wk = 0.0017730 k( 200) = ( 0.0000000 0.1785637 -0.0000000), wk = 0.0017730 k( 201) = ( 0.0000000 0.1696355 -0.0000000), wk = 0.0017730 k( 202) = ( 0.0000000 0.1607073 -0.0000000), wk = 0.0017730 k( 203) = ( 0.0000000 0.1517792 -0.0000000), wk = 0.0017730 k( 204) = ( 0.0000000 0.1428510 -0.0000000), wk = 0.0017730 k( 205) = ( 0.0000000 0.1339228 -0.0000000), wk = 0.0017730 k( 206) = ( 0.0000000 0.1249946 -0.0000000), wk = 0.0017730 k( 207) = ( 0.0000000 0.1160664 -0.0000000), wk = 0.0017730 k( 208) = ( 0.0000000 0.1071382 -0.0000000), wk = 0.0017730 k( 209) = ( 0.0000000 0.0982100 -0.0000000), wk = 0.0017730 k( 210) = ( 0.0000000 0.0892819 -0.0000000), wk = 0.0017730 k( 211) = ( 0.0000000 0.0803537 -0.0000000), wk = 0.0017730 k( 212) = ( 0.0000000 0.0714255 -0.0000000), wk = 0.0017730 k( 213) = ( 0.0000000 0.0624973 -0.0000000), wk = 0.0017730 k( 214) = ( 0.0000000 0.0535691 -0.0000000), wk = 0.0017730 k( 215) = ( 0.0000000 0.0446409 -0.0000000), wk = 0.0017730 k( 216) = ( 0.0000000 0.0357127 -0.0000000), wk = 0.0017730 k( 217) = ( 0.0000000 0.0267846 -0.0000000), wk = 0.0017730 k( 218) = ( 0.0000000 0.0178564 -0.0000000), wk = 0.0017730 k( 219) = ( 0.0000000 0.0089282 -0.0000000), wk = 0.0017730 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 222) = ( 0.0000000 0.0000000 0.0089077), wk = 0.0017730 k( 223) = ( 0.0000000 0.0000000 0.0178154), wk = 0.0017730 k( 224) = ( 0.0000000 0.0000000 0.0267231), wk = 0.0017730 k( 225) = ( 0.0000000 0.0000000 0.0356308), wk = 0.0017730 k( 226) = ( 0.0000000 0.0000000 0.0445385), wk = 0.0017730 k( 227) = ( 0.0000000 0.0000000 0.0534462), wk = 0.0017730 k( 228) = ( 0.0000000 0.0000000 0.0623539), wk = 0.0017730 k( 229) = ( 0.0000000 0.0000000 0.0712616), wk = 0.0017730 k( 230) = ( 0.0000000 0.0000000 0.0801693), wk = 0.0017730 k( 231) = ( 0.0000000 0.0000000 0.0890770), wk = 0.0017730 k( 232) = ( 0.0000000 0.0000000 0.0979847), wk = 0.0017730 k( 233) = ( 0.0000000 0.0000000 0.1068924), wk = 0.0017730 k( 234) = ( 0.0000000 0.0000000 0.1158001), wk = 0.0017730 k( 235) = ( 0.0000000 0.0000000 0.1247077), wk = 0.0017730 k( 236) = ( 0.0000000 0.0000000 0.1336154), wk = 0.0017730 k( 237) = ( 0.0000000 0.0000000 0.1425231), wk = 0.0017730 k( 238) = ( 0.0000000 0.0000000 0.1514308), wk = 0.0017730 k( 239) = ( 0.0000000 0.0000000 0.1603385), wk = 0.0017730 k( 240) = ( 0.0000000 0.0000000 0.1692462), wk = 0.0017730 k( 241) = ( 0.0000000 0.0000000 0.1781539), wk = 0.0017730 k( 242) = ( 0.0000000 0.0000000 0.1870616), wk = 0.0017730 k( 243) = ( 0.0000000 0.0000000 0.1959693), wk = 0.0017730 k( 244) = ( 0.0000000 0.0000000 0.2048770), wk = 0.0017730 k( 245) = ( 0.0000000 0.0000000 0.2137847), wk = 0.0017730 k( 246) = ( 0.0000000 0.0000000 0.2226924), wk = 0.0017730 k( 247) = ( 0.0000000 0.0000000 0.2316001), wk = 0.0017730 k( 248) = ( 0.0000000 0.0000000 0.2405078), wk = 0.0017730 k( 249) = ( 0.0000000 0.0000000 0.2494155), wk = 0.0017730 k( 250) = ( 0.0000000 0.0000000 0.2583232), wk = 0.0017730 k( 251) = ( 0.0000000 0.0000000 0.2672309), wk = 0.0017730 k( 252) = ( 0.0000000 0.0000000 0.2672309), wk = 0.0017730 k( 253) = ( 0.0089286 -0.0000000 0.2672309), wk = 0.0017730 k( 254) = ( 0.0178571 -0.0000000 0.2672309), wk = 0.0017730 k( 255) = ( 0.0267857 -0.0000000 0.2672309), wk = 0.0017730 k( 256) = ( 0.0357143 -0.0000000 0.2672309), wk = 0.0017730 k( 257) = ( 0.0446429 -0.0000000 0.2672309), wk = 0.0017730 k( 258) = ( 0.0535714 -0.0000000 0.2672309), wk = 0.0017730 k( 259) = ( 0.0625000 -0.0000000 0.2672309), wk = 0.0017730 k( 260) = ( 0.0714286 -0.0000000 0.2672309), wk = 0.0017730 k( 261) = ( 0.0803571 -0.0000000 0.2672309), wk = 0.0017730 k( 262) = ( 0.0892857 -0.0000000 0.2672309), wk = 0.0017730 k( 263) = ( 0.0982143 -0.0000000 0.2672309), wk = 0.0017730 k( 264) = ( 0.1071429 -0.0000000 0.2672309), wk = 0.0017730 k( 265) = ( 0.1160714 -0.0000000 0.2672309), wk = 0.0017730 k( 266) = ( 0.1250000 -0.0000000 0.2672309), wk = 0.0017730 k( 267) = ( 0.1339286 -0.0000000 0.2672309), wk = 0.0017730 k( 268) = ( 0.1428571 -0.0000000 0.2672309), wk = 0.0017730 k( 269) = ( 0.1517857 -0.0000000 0.2672309), wk = 0.0017730 k( 270) = ( 0.1607143 -0.0000000 0.2672309), wk = 0.0017730 k( 271) = ( 0.1696429 -0.0000000 0.2672309), wk = 0.0017730 k( 272) = ( 0.1785714 -0.0000000 0.2672309), wk = 0.0017730 k( 273) = ( 0.1875000 -0.0000000 0.2672309), wk = 0.0017730 k( 274) = ( 0.1964286 -0.0000000 0.2672309), wk = 0.0017730 k( 275) = ( 0.2053571 -0.0000000 0.2672309), wk = 0.0017730 k( 276) = ( 0.2142857 -0.0000000 0.2672309), wk = 0.0017730 k( 277) = ( 0.2232143 -0.0000000 0.2672309), wk = 0.0017730 k( 278) = ( 0.2321429 -0.0000000 0.2672309), wk = 0.0017730 k( 279) = ( 0.2410714 -0.0000000 0.2672309), wk = 0.0017730 k( 280) = ( 0.2500000 -0.0000000 0.2672309), wk = 0.0017730 k( 281) = ( 0.2589286 -0.0000000 0.2672309), wk = 0.0017730 k( 282) = ( 0.2678571 -0.0000000 0.2672309), wk = 0.0017730 k( 283) = ( 0.2767857 -0.0000000 0.2672309), wk = 0.0017730 k( 284) = ( 0.2857143 -0.0000000 0.2672309), wk = 0.0017730 k( 285) = ( 0.2946429 -0.0000000 0.2672309), wk = 0.0017730 k( 286) = ( 0.3035714 -0.0000000 0.2672309), wk = 0.0017730 k( 287) = ( 0.3125000 -0.0000000 0.2672309), wk = 0.0017730 k( 288) = ( 0.3214286 -0.0000000 0.2672309), wk = 0.0017730 k( 289) = ( 0.3303571 -0.0000000 0.2672309), wk = 0.0017730 k( 290) = ( 0.3392857 -0.0000000 0.2672309), wk = 0.0017730 k( 291) = ( 0.3482143 -0.0000000 0.2672309), wk = 0.0017730 k( 292) = ( 0.3571429 -0.0000000 0.2672309), wk = 0.0017730 k( 293) = ( 0.3660714 -0.0000000 0.2672309), wk = 0.0017730 k( 294) = ( 0.3750000 -0.0000000 0.2672309), wk = 0.0017730 k( 295) = ( 0.3839286 -0.0000000 0.2672309), wk = 0.0017730 k( 296) = ( 0.3928571 -0.0000000 0.2672309), wk = 0.0017730 k( 297) = ( 0.4017857 -0.0000000 0.2672309), wk = 0.0017730 k( 298) = ( 0.4107143 -0.0000000 0.2672309), wk = 0.0017730 k( 299) = ( 0.4196429 -0.0000000 0.2672309), wk = 0.0017730 k( 300) = ( 0.4285714 -0.0000000 0.2672309), wk = 0.0017730 k( 301) = ( 0.4375000 -0.0000000 0.2672309), wk = 0.0017730 k( 302) = ( 0.4464286 -0.0000000 0.2672309), wk = 0.0017730 k( 303) = ( 0.4553571 -0.0000000 0.2672309), wk = 0.0017730 k( 304) = ( 0.4642857 -0.0000000 0.2672309), wk = 0.0017730 k( 305) = ( 0.4732143 -0.0000000 0.2672309), wk = 0.0017730 k( 306) = ( 0.4821429 -0.0000000 0.2672309), wk = 0.0017730 k( 307) = ( 0.4910714 -0.0000000 0.2672309), wk = 0.0017730 k( 308) = ( 0.5000000 -0.0000000 0.2672309), wk = 0.0017730 k( 309) = ( 0.5000000 -0.0000000 0.2672309), wk = 0.0017730 k( 310) = ( 0.5000000 0.0089282 0.2672309), wk = 0.0017730 k( 311) = ( 0.5000000 0.0178564 0.2672309), wk = 0.0017730 k( 312) = ( 0.5000000 0.0267846 0.2672309), wk = 0.0017730 k( 313) = ( 0.5000000 0.0357127 0.2672309), wk = 0.0017730 k( 314) = ( 0.5000000 0.0446409 0.2672309), wk = 0.0017730 k( 315) = ( 0.5000000 0.0535691 0.2672309), wk = 0.0017730 k( 316) = ( 0.5000000 0.0624973 0.2672309), wk = 0.0017730 k( 317) = ( 0.5000000 0.0714255 0.2672309), wk = 0.0017730 k( 318) = ( 0.5000000 0.0803537 0.2672309), wk = 0.0017730 k( 319) = ( 0.5000000 0.0892819 0.2672309), wk = 0.0017730 k( 320) = ( 0.5000000 0.0982100 0.2672309), wk = 0.0017730 k( 321) = ( 0.5000000 0.1071382 0.2672309), wk = 0.0017730 k( 322) = ( 0.5000000 0.1160664 0.2672309), wk = 0.0017730 k( 323) = ( 0.5000000 0.1249946 0.2672309), wk = 0.0017730 k( 324) = ( 0.5000000 0.1339228 0.2672309), wk = 0.0017730 k( 325) = ( 0.5000000 0.1428510 0.2672309), wk = 0.0017730 k( 326) = ( 0.5000000 0.1517792 0.2672309), wk = 0.0017730 k( 327) = ( 0.5000000 0.1607073 0.2672309), wk = 0.0017730 k( 328) = ( 0.5000000 0.1696355 0.2672309), wk = 0.0017730 k( 329) = ( 0.5000000 0.1785637 0.2672309), wk = 0.0017730 k( 330) = ( 0.5000000 0.1874919 0.2672309), wk = 0.0017730 k( 331) = ( 0.5000000 0.1964201 0.2672309), wk = 0.0017730 k( 332) = ( 0.5000000 0.2053483 0.2672309), wk = 0.0017730 k( 333) = ( 0.5000000 0.2142765 0.2672309), wk = 0.0017730 k( 334) = ( 0.5000000 0.2232046 0.2672309), wk = 0.0017730 k( 335) = ( 0.5000000 0.2321328 0.2672309), wk = 0.0017730 k( 336) = ( 0.5000000 0.2410610 0.2672309), wk = 0.0017730 k( 337) = ( 0.5000000 0.2499892 0.2672309), wk = 0.0017730 k( 338) = ( 0.5000000 0.2589174 0.2672309), wk = 0.0017730 k( 339) = ( 0.5000000 0.2678456 0.2672309), wk = 0.0017730 k( 340) = ( 0.5000000 0.2767738 0.2672309), wk = 0.0017730 k( 341) = ( 0.5000000 0.2857019 0.2672309), wk = 0.0017730 k( 342) = ( 0.5000000 0.2946301 0.2672309), wk = 0.0017730 k( 343) = ( 0.5000000 0.3035583 0.2672309), wk = 0.0017730 k( 344) = ( 0.5000000 0.3124865 0.2672309), wk = 0.0017730 k( 345) = ( 0.5000000 0.3214147 0.2672309), wk = 0.0017730 k( 346) = ( 0.5000000 0.3303429 0.2672309), wk = 0.0017730 k( 347) = ( 0.5000000 0.3392711 0.2672309), wk = 0.0017730 k( 348) = ( 0.5000000 0.3481992 0.2672309), wk = 0.0017730 k( 349) = ( 0.5000000 0.3571274 0.2672309), wk = 0.0017730 k( 350) = ( 0.5000000 0.3660556 0.2672309), wk = 0.0017730 k( 351) = ( 0.5000000 0.3749838 0.2672309), wk = 0.0017730 k( 352) = ( 0.5000000 0.3839120 0.2672309), wk = 0.0017730 k( 353) = ( 0.5000000 0.3928402 0.2672309), wk = 0.0017730 k( 354) = ( 0.5000000 0.4017684 0.2672309), wk = 0.0017730 k( 355) = ( 0.5000000 0.4106965 0.2672309), wk = 0.0017730 k( 356) = ( 0.5000000 0.4196247 0.2672309), wk = 0.0017730 k( 357) = ( 0.5000000 0.4285529 0.2672309), wk = 0.0017730 k( 358) = ( 0.5000000 0.4374811 0.2672309), wk = 0.0017730 k( 359) = ( 0.5000000 0.4464093 0.2672309), wk = 0.0017730 k( 360) = ( 0.5000000 0.4553375 0.2672309), wk = 0.0017730 k( 361) = ( 0.5000000 0.4642657 0.2672309), wk = 0.0017730 k( 362) = ( 0.5000000 0.4642657 0.2672309), wk = 0.0017730 k( 363) = ( 0.4910714 0.4642657 0.2672309), wk = 0.0017730 k( 364) = ( 0.4821429 0.4642657 0.2672309), wk = 0.0017730 k( 365) = ( 0.4732143 0.4642657 0.2672309), wk = 0.0017730 k( 366) = ( 0.4642857 0.4642657 0.2672309), wk = 0.0017730 k( 367) = ( 0.4553571 0.4642657 0.2672309), wk = 0.0017730 k( 368) = ( 0.4464286 0.4642657 0.2672309), wk = 0.0017730 k( 369) = ( 0.4375000 0.4642657 0.2672309), wk = 0.0017730 k( 370) = ( 0.4285714 0.4642657 0.2672309), wk = 0.0017730 k( 371) = ( 0.4196429 0.4642657 0.2672309), wk = 0.0017730 k( 372) = ( 0.4107143 0.4642657 0.2672309), wk = 0.0017730 k( 373) = ( 0.4017857 0.4642657 0.2672309), wk = 0.0017730 k( 374) = ( 0.3928571 0.4642657 0.2672309), wk = 0.0017730 k( 375) = ( 0.3839286 0.4642657 0.2672309), wk = 0.0017730 k( 376) = ( 0.3750000 0.4642657 0.2672309), wk = 0.0017730 k( 377) = ( 0.3660714 0.4642657 0.2672309), wk = 0.0017730 k( 378) = ( 0.3571429 0.4642657 0.2672309), wk = 0.0017730 k( 379) = ( 0.3482143 0.4642657 0.2672309), wk = 0.0017730 k( 380) = ( 0.3392857 0.4642657 0.2672309), wk = 0.0017730 k( 381) = ( 0.3303571 0.4642657 0.2672309), wk = 0.0017730 k( 382) = ( 0.3214286 0.4642657 0.2672309), wk = 0.0017730 k( 383) = ( 0.3125000 0.4642657 0.2672309), wk = 0.0017730 k( 384) = ( 0.3035714 0.4642657 0.2672309), wk = 0.0017730 k( 385) = ( 0.2946429 0.4642657 0.2672309), wk = 0.0017730 k( 386) = ( 0.2857143 0.4642657 0.2672309), wk = 0.0017730 k( 387) = ( 0.2767857 0.4642657 0.2672309), wk = 0.0017730 k( 388) = ( 0.2678571 0.4642657 0.2672309), wk = 0.0017730 k( 389) = ( 0.2589286 0.4642657 0.2672309), wk = 0.0017730 k( 390) = ( 0.2500000 0.4642657 0.2672309), wk = 0.0017730 k( 391) = ( 0.2410714 0.4642657 0.2672309), wk = 0.0017730 k( 392) = ( 0.2321429 0.4642657 0.2672309), wk = 0.0017730 k( 393) = ( 0.2232143 0.4642657 0.2672309), wk = 0.0017730 k( 394) = ( 0.2142857 0.4642657 0.2672309), wk = 0.0017730 k( 395) = ( 0.2053571 0.4642657 0.2672309), wk = 0.0017730 k( 396) = ( 0.1964286 0.4642657 0.2672309), wk = 0.0017730 k( 397) = ( 0.1875000 0.4642657 0.2672309), wk = 0.0017730 k( 398) = ( 0.1785714 0.4642657 0.2672309), wk = 0.0017730 k( 399) = ( 0.1696429 0.4642657 0.2672309), wk = 0.0017730 k( 400) = ( 0.1607143 0.4642657 0.2672309), wk = 0.0017730 k( 401) = ( 0.1517857 0.4642657 0.2672309), wk = 0.0017730 k( 402) = ( 0.1428571 0.4642657 0.2672309), wk = 0.0017730 k( 403) = ( 0.1339286 0.4642657 0.2672309), wk = 0.0017730 k( 404) = ( 0.1250000 0.4642657 0.2672309), wk = 0.0017730 k( 405) = ( 0.1160714 0.4642657 0.2672309), wk = 0.0017730 k( 406) = ( 0.1071429 0.4642657 0.2672309), wk = 0.0017730 k( 407) = ( 0.0982143 0.4642657 0.2672309), wk = 0.0017730 k( 408) = ( 0.0892857 0.4642657 0.2672309), wk = 0.0017730 k( 409) = ( 0.0803571 0.4642657 0.2672309), wk = 0.0017730 k( 410) = ( 0.0714286 0.4642657 0.2672309), wk = 0.0017730 k( 411) = ( 0.0625000 0.4642657 0.2672309), wk = 0.0017730 k( 412) = ( 0.0535714 0.4642657 0.2672309), wk = 0.0017730 k( 413) = ( 0.0446429 0.4642657 0.2672309), wk = 0.0017730 k( 414) = ( 0.0357143 0.4642657 0.2672309), wk = 0.0017730 k( 415) = ( 0.0267857 0.4642657 0.2672309), wk = 0.0017730 k( 416) = ( 0.0178571 0.4642657 0.2672309), wk = 0.0017730 k( 417) = ( 0.0089286 0.4642657 0.2672309), wk = 0.0017730 k( 418) = ( 0.0000000 0.4642657 0.2672309), wk = 0.0017730 k( 419) = ( 0.0000000 0.4642657 0.2672309), wk = 0.0017730 k( 420) = ( 0.0000000 0.4553375 0.2672309), wk = 0.0017730 k( 421) = ( 0.0000000 0.4464093 0.2672309), wk = 0.0017730 k( 422) = ( 0.0000000 0.4374811 0.2672309), wk = 0.0017730 k( 423) = ( 0.0000000 0.4285529 0.2672309), wk = 0.0017730 k( 424) = ( 0.0000000 0.4196247 0.2672309), wk = 0.0017730 k( 425) = ( 0.0000000 0.4106965 0.2672309), wk = 0.0017730 k( 426) = ( 0.0000000 0.4017684 0.2672309), wk = 0.0017730 k( 427) = ( 0.0000000 0.3928402 0.2672309), wk = 0.0017730 k( 428) = ( 0.0000000 0.3839120 0.2672309), wk = 0.0017730 k( 429) = ( 0.0000000 0.3749838 0.2672309), wk = 0.0017730 k( 430) = ( 0.0000000 0.3660556 0.2672309), wk = 0.0017730 k( 431) = ( 0.0000000 0.3571274 0.2672309), wk = 0.0017730 k( 432) = ( 0.0000000 0.3481992 0.2672309), wk = 0.0017730 k( 433) = ( 0.0000000 0.3392711 0.2672309), wk = 0.0017730 k( 434) = ( 0.0000000 0.3303429 0.2672309), wk = 0.0017730 k( 435) = ( 0.0000000 0.3214147 0.2672309), wk = 0.0017730 k( 436) = ( 0.0000000 0.3124865 0.2672309), wk = 0.0017730 k( 437) = ( 0.0000000 0.3035583 0.2672309), wk = 0.0017730 k( 438) = ( 0.0000000 0.2946301 0.2672309), wk = 0.0017730 k( 439) = ( 0.0000000 0.2857019 0.2672309), wk = 0.0017730 k( 440) = ( 0.0000000 0.2767738 0.2672309), wk = 0.0017730 k( 441) = ( 0.0000000 0.2678456 0.2672309), wk = 0.0017730 k( 442) = ( 0.0000000 0.2589174 0.2672309), wk = 0.0017730 k( 443) = ( 0.0000000 0.2499892 0.2672309), wk = 0.0017730 k( 444) = ( 0.0000000 0.2410610 0.2672309), wk = 0.0017730 k( 445) = ( 0.0000000 0.2321328 0.2672309), wk = 0.0017730 k( 446) = ( 0.0000000 0.2232046 0.2672309), wk = 0.0017730 k( 447) = ( 0.0000000 0.2142765 0.2672309), wk = 0.0017730 k( 448) = ( 0.0000000 0.2053483 0.2672309), wk = 0.0017730 k( 449) = ( 0.0000000 0.1964201 0.2672309), wk = 0.0017730 k( 450) = ( 0.0000000 0.1874919 0.2672309), wk = 0.0017730 k( 451) = ( 0.0000000 0.1785637 0.2672309), wk = 0.0017730 k( 452) = ( 0.0000000 0.1696355 0.2672309), wk = 0.0017730 k( 453) = ( 0.0000000 0.1607073 0.2672309), wk = 0.0017730 k( 454) = ( 0.0000000 0.1517792 0.2672309), wk = 0.0017730 k( 455) = ( 0.0000000 0.1428510 0.2672309), wk = 0.0017730 k( 456) = ( 0.0000000 0.1339228 0.2672309), wk = 0.0017730 k( 457) = ( 0.0000000 0.1249946 0.2672309), wk = 0.0017730 k( 458) = ( 0.0000000 0.1160664 0.2672309), wk = 0.0017730 k( 459) = ( 0.0000000 0.1071382 0.2672309), wk = 0.0017730 k( 460) = ( 0.0000000 0.0982100 0.2672309), wk = 0.0017730 k( 461) = ( 0.0000000 0.0892819 0.2672309), wk = 0.0017730 k( 462) = ( 0.0000000 0.0803537 0.2672309), wk = 0.0017730 k( 463) = ( 0.0000000 0.0714255 0.2672309), wk = 0.0017730 k( 464) = ( 0.0000000 0.0624973 0.2672309), wk = 0.0017730 k( 465) = ( 0.0000000 0.0535691 0.2672309), wk = 0.0017730 k( 466) = ( 0.0000000 0.0446409 0.2672309), wk = 0.0017730 k( 467) = ( 0.0000000 0.0357127 0.2672309), wk = 0.0017730 k( 468) = ( 0.0000000 0.0267846 0.2672309), wk = 0.0017730 k( 469) = ( 0.0000000 0.0178564 0.2672309), wk = 0.0017730 k( 470) = ( 0.0000000 0.0089282 0.2672309), wk = 0.0017730 k( 471) = ( 0.0000000 0.0000000 0.2672309), wk = 0.0017730 k( 472) = ( 0.0000000 0.4642657 -0.0000000), wk = 0.0017730 k( 473) = ( 0.0000000 0.4642657 0.0089077), wk = 0.0017730 k( 474) = ( 0.0000000 0.4642657 0.0178154), wk = 0.0017730 k( 475) = ( 0.0000000 0.4642657 0.0267231), wk = 0.0017730 k( 476) = ( 0.0000000 0.4642657 0.0356308), wk = 0.0017730 k( 477) = ( 0.0000000 0.4642657 0.0445385), wk = 0.0017730 k( 478) = ( 0.0000000 0.4642657 0.0534462), wk = 0.0017730 k( 479) = ( 0.0000000 0.4642657 0.0623539), wk = 0.0017730 k( 480) = ( 0.0000000 0.4642657 0.0712616), wk = 0.0017730 k( 481) = ( 0.0000000 0.4642657 0.0801693), wk = 0.0017730 k( 482) = ( 0.0000000 0.4642657 0.0890770), wk = 0.0017730 k( 483) = ( 0.0000000 0.4642657 0.0979847), wk = 0.0017730 k( 484) = ( 0.0000000 0.4642657 0.1068924), wk = 0.0017730 k( 485) = ( 0.0000000 0.4642657 0.1158001), wk = 0.0017730 k( 486) = ( 0.0000000 0.4642657 0.1247077), wk = 0.0017730 k( 487) = ( 0.0000000 0.4642657 0.1336154), wk = 0.0017730 k( 488) = ( 0.0000000 0.4642657 0.1425231), wk = 0.0017730 k( 489) = ( 0.0000000 0.4642657 0.1514308), wk = 0.0017730 k( 490) = ( 0.0000000 0.4642657 0.1603385), wk = 0.0017730 k( 491) = ( 0.0000000 0.4642657 0.1692462), wk = 0.0017730 k( 492) = ( 0.0000000 0.4642657 0.1781539), wk = 0.0017730 k( 493) = ( 0.0000000 0.4642657 0.1870616), wk = 0.0017730 k( 494) = ( 0.0000000 0.4642657 0.1959693), wk = 0.0017730 k( 495) = ( 0.0000000 0.4642657 0.2048770), wk = 0.0017730 k( 496) = ( 0.0000000 0.4642657 0.2137847), wk = 0.0017730 k( 497) = ( 0.0000000 0.4642657 0.2226924), wk = 0.0017730 k( 498) = ( 0.0000000 0.4642657 0.2316001), wk = 0.0017730 k( 499) = ( 0.0000000 0.4642657 0.2405078), wk = 0.0017730 k( 500) = ( 0.0000000 0.4642657 0.2494155), wk = 0.0017730 k( 501) = ( 0.0000000 0.4642657 0.2583232), wk = 0.0017730 k( 502) = ( 0.0000000 0.4642657 0.2672309), wk = 0.0017730 k( 503) = ( 0.5000000 -0.0000000 0.2672309), wk = 0.0017730 k( 504) = ( 0.5000000 -0.0000000 0.2583232), wk = 0.0017730 k( 505) = ( 0.5000000 -0.0000000 0.2494155), wk = 0.0017730 k( 506) = ( 0.5000000 -0.0000000 0.2405078), wk = 0.0017730 k( 507) = ( 0.5000000 -0.0000000 0.2316001), wk = 0.0017730 k( 508) = ( 0.5000000 -0.0000000 0.2226924), wk = 0.0017730 k( 509) = ( 0.5000000 -0.0000000 0.2137847), wk = 0.0017730 k( 510) = ( 0.5000000 -0.0000000 0.2048770), wk = 0.0017730 k( 511) = ( 0.5000000 -0.0000000 0.1959693), wk = 0.0017730 k( 512) = ( 0.5000000 -0.0000000 0.1870616), wk = 0.0017730 k( 513) = ( 0.5000000 -0.0000000 0.1781539), wk = 0.0017730 k( 514) = ( 0.5000000 -0.0000000 0.1692462), wk = 0.0017730 k( 515) = ( 0.5000000 -0.0000000 0.1603385), wk = 0.0017730 k( 516) = ( 0.5000000 -0.0000000 0.1514308), wk = 0.0017730 k( 517) = ( 0.5000000 -0.0000000 0.1425231), wk = 0.0017730 k( 518) = ( 0.5000000 -0.0000000 0.1336154), wk = 0.0017730 k( 519) = ( 0.5000000 -0.0000000 0.1247077), wk = 0.0017730 k( 520) = ( 0.5000000 -0.0000000 0.1158001), wk = 0.0017730 k( 521) = ( 0.5000000 -0.0000000 0.1068924), wk = 0.0017730 k( 522) = ( 0.5000000 -0.0000000 0.0979847), wk = 0.0017730 k( 523) = ( 0.5000000 -0.0000000 0.0890770), wk = 0.0017730 k( 524) = ( 0.5000000 -0.0000000 0.0801693), wk = 0.0017730 k( 525) = ( 0.5000000 -0.0000000 0.0712616), wk = 0.0017730 k( 526) = ( 0.5000000 -0.0000000 0.0623539), wk = 0.0017730 k( 527) = ( 0.5000000 -0.0000000 0.0534462), wk = 0.0017730 k( 528) = ( 0.5000000 -0.0000000 0.0445385), wk = 0.0017730 k( 529) = ( 0.5000000 -0.0000000 0.0356308), wk = 0.0017730 k( 530) = ( 0.5000000 -0.0000000 0.0267231), wk = 0.0017730 k( 531) = ( 0.5000000 -0.0000000 0.0178154), wk = 0.0017730 k( 532) = ( 0.5000000 -0.0000000 0.0089077), wk = 0.0017730 k( 533) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0017730 k( 534) = ( 0.5000000 0.4642657 -0.0000000), wk = 0.0017730 k( 535) = ( 0.5000000 0.4642657 0.0089077), wk = 0.0017730 k( 536) = ( 0.5000000 0.4642657 0.0178154), wk = 0.0017730 k( 537) = ( 0.5000000 0.4642657 0.0267231), wk = 0.0017730 k( 538) = ( 0.5000000 0.4642657 0.0356308), wk = 0.0017730 k( 539) = ( 0.5000000 0.4642657 0.0445385), wk = 0.0017730 k( 540) = ( 0.5000000 0.4642657 0.0534462), wk = 0.0017730 k( 541) = ( 0.5000000 0.4642657 0.0623539), wk = 0.0017730 k( 542) = ( 0.5000000 0.4642657 0.0712616), wk = 0.0017730 k( 543) = ( 0.5000000 0.4642657 0.0801693), wk = 0.0017730 k( 544) = ( 0.5000000 0.4642657 0.0890770), wk = 0.0017730 k( 545) = ( 0.5000000 0.4642657 0.0979847), wk = 0.0017730 k( 546) = ( 0.5000000 0.4642657 0.1068924), wk = 0.0017730 k( 547) = ( 0.5000000 0.4642657 0.1158001), wk = 0.0017730 k( 548) = ( 0.5000000 0.4642657 0.1247077), wk = 0.0017730 k( 549) = ( 0.5000000 0.4642657 0.1336154), wk = 0.0017730 k( 550) = ( 0.5000000 0.4642657 0.1425231), wk = 0.0017730 k( 551) = ( 0.5000000 0.4642657 0.1514308), wk = 0.0017730 k( 552) = ( 0.5000000 0.4642657 0.1603385), wk = 0.0017730 k( 553) = ( 0.5000000 0.4642657 0.1692462), wk = 0.0017730 k( 554) = ( 0.5000000 0.4642657 0.1781539), wk = 0.0017730 k( 555) = ( 0.5000000 0.4642657 0.1870616), wk = 0.0017730 k( 556) = ( 0.5000000 0.4642657 0.1959693), wk = 0.0017730 k( 557) = ( 0.5000000 0.4642657 0.2048770), wk = 0.0017730 k( 558) = ( 0.5000000 0.4642657 0.2137847), wk = 0.0017730 k( 559) = ( 0.5000000 0.4642657 0.2226924), wk = 0.0017730 k( 560) = ( 0.5000000 0.4642657 0.2316001), wk = 0.0017730 k( 561) = ( 0.5000000 0.4642657 0.2405078), wk = 0.0017730 k( 562) = ( 0.5000000 0.4642657 0.2494155), wk = 0.0017730 k( 563) = ( 0.5000000 0.4642657 0.2583232), wk = 0.0017730 k( 564) = ( 0.5000000 0.4642657 0.2672309), wk = 0.0017730 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0017730 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0017730 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0017730 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0017730 k( 6) = ( 0.0446429 -0.0000000 0.0000000), wk = 0.0017730 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0017730 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0017730 k( 9) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0017730 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0017730 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0017730 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0017730 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0017730 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0017730 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0017730 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0017730 k( 17) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0017730 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0017730 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0017730 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0017730 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0017730 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0017730 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0017730 k( 24) = ( 0.2053571 -0.0000000 0.0000000), wk = 0.0017730 k( 25) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0017730 k( 26) = ( 0.2232143 0.0000000 -0.0000000), wk = 0.0017730 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0017730 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0017730 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0017730 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0017730 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0017730 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0017730 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0017730 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0017730 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0017730 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0017730 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0017730 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0017730 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0017730 k( 40) = ( 0.3482143 -0.0000000 0.0000000), wk = 0.0017730 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0017730 k( 42) = ( 0.3660714 -0.0000000 0.0000000), wk = 0.0017730 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0017730 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0017730 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0017730 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0017730 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0017730 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0017730 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0017730 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0017730 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0017730 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0017730 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0017730 k( 54) = ( 0.4732143 -0.0000000 0.0000000), wk = 0.0017730 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0017730 k( 56) = ( 0.4910714 -0.0000000 0.0000000), wk = 0.0017730 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017730 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017730 k( 59) = ( 0.5000000 0.0096154 0.0000000), wk = 0.0017730 k( 60) = ( 0.5000000 0.0192308 0.0000000), wk = 0.0017730 k( 61) = ( 0.5000000 0.0288462 0.0000000), wk = 0.0017730 k( 62) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0017730 k( 63) = ( 0.5000000 0.0480769 0.0000000), wk = 0.0017730 k( 64) = ( 0.5000000 0.0576923 0.0000000), wk = 0.0017730 k( 65) = ( 0.5000000 0.0673077 0.0000000), wk = 0.0017730 k( 66) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0017730 k( 67) = ( 0.5000000 0.0865385 0.0000000), wk = 0.0017730 k( 68) = ( 0.5000000 0.0961538 0.0000000), wk = 0.0017730 k( 69) = ( 0.5000000 0.1057692 0.0000000), wk = 0.0017730 k( 70) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0017730 k( 71) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0017730 k( 72) = ( 0.5000000 0.1346154 0.0000000), wk = 0.0017730 k( 73) = ( 0.5000000 0.1442308 0.0000000), wk = 0.0017730 k( 74) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0017730 k( 75) = ( 0.5000000 0.1634615 0.0000000), wk = 0.0017730 k( 76) = ( 0.5000000 0.1730769 0.0000000), wk = 0.0017730 k( 77) = ( 0.5000000 0.1826923 0.0000000), wk = 0.0017730 k( 78) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0017730 k( 79) = ( 0.5000000 0.2019231 0.0000000), wk = 0.0017730 k( 80) = ( 0.5000000 0.2115385 0.0000000), wk = 0.0017730 k( 81) = ( 0.5000000 0.2211538 0.0000000), wk = 0.0017730 k( 82) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0017730 k( 83) = ( 0.5000000 0.2403846 0.0000000), wk = 0.0017730 k( 84) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0017730 k( 85) = ( 0.5000000 0.2596154 0.0000000), wk = 0.0017730 k( 86) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0017730 k( 87) = ( 0.5000000 0.2788461 0.0000000), wk = 0.0017730 k( 88) = ( 0.5000000 0.2884615 0.0000000), wk = 0.0017730 k( 89) = ( 0.5000000 0.2980769 0.0000000), wk = 0.0017730 k( 90) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0017730 k( 91) = ( 0.5000000 0.3173077 0.0000000), wk = 0.0017730 k( 92) = ( 0.5000000 0.3269231 0.0000000), wk = 0.0017730 k( 93) = ( 0.5000000 0.3365385 0.0000000), wk = 0.0017730 k( 94) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0017730 k( 95) = ( 0.5000000 0.3557692 0.0000000), wk = 0.0017730 k( 96) = ( 0.5000000 0.3653846 0.0000000), wk = 0.0017730 k( 97) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0017730 k( 98) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0017730 k( 99) = ( 0.5000000 0.3942308 0.0000000), wk = 0.0017730 k( 100) = ( 0.5000000 0.4038461 0.0000000), wk = 0.0017730 k( 101) = ( 0.5000000 0.4134615 0.0000000), wk = 0.0017730 k( 102) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0017730 k( 103) = ( 0.5000000 0.4326923 0.0000000), wk = 0.0017730 k( 104) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0017730 k( 105) = ( 0.5000000 0.4519231 0.0000000), wk = 0.0017730 k( 106) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0017730 k( 107) = ( 0.5000000 0.4711538 -0.0000000), wk = 0.0017730 k( 108) = ( 0.5000000 0.4807692 0.0000000), wk = 0.0017730 k( 109) = ( 0.5000000 0.4903846 0.0000000), wk = 0.0017730 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017730 k( 111) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017730 k( 112) = ( 0.4910714 0.5000000 0.0000000), wk = 0.0017730 k( 113) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0017730 k( 114) = ( 0.4732143 0.5000000 0.0000000), wk = 0.0017730 k( 115) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0017730 k( 116) = ( 0.4553571 0.5000000 0.0000000), wk = 0.0017730 k( 117) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0017730 k( 118) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0017730 k( 119) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0017730 k( 120) = ( 0.4196429 0.5000000 0.0000000), wk = 0.0017730 k( 121) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0017730 k( 122) = ( 0.4017857 0.5000000 0.0000000), wk = 0.0017730 k( 123) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0017730 k( 124) = ( 0.3839286 0.5000000 0.0000000), wk = 0.0017730 k( 125) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0017730 k( 126) = ( 0.3660714 0.5000000 0.0000000), wk = 0.0017730 k( 127) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0017730 k( 128) = ( 0.3482143 0.5000000 0.0000000), wk = 0.0017730 k( 129) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0017730 k( 130) = ( 0.3303571 0.5000000 0.0000000), wk = 0.0017730 k( 131) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0017730 k( 132) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0017730 k( 133) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0017730 k( 134) = ( 0.2946429 0.5000000 0.0000000), wk = 0.0017730 k( 135) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0017730 k( 136) = ( 0.2767857 0.5000000 0.0000000), wk = 0.0017730 k( 137) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0017730 k( 138) = ( 0.2589286 0.5000000 0.0000000), wk = 0.0017730 k( 139) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0017730 k( 140) = ( 0.2410714 0.5000000 -0.0000000), wk = 0.0017730 k( 141) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0017730 k( 142) = ( 0.2232143 0.5000000 0.0000000), wk = 0.0017730 k( 143) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0017730 k( 144) = ( 0.2053571 0.5000000 0.0000000), wk = 0.0017730 k( 145) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0017730 k( 146) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0017730 k( 147) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0017730 k( 148) = ( 0.1696429 0.5000000 0.0000000), wk = 0.0017730 k( 149) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0017730 k( 150) = ( 0.1517857 0.5000000 -0.0000000), wk = 0.0017730 k( 151) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0017730 k( 152) = ( 0.1339286 0.5000000 0.0000000), wk = 0.0017730 k( 153) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0017730 k( 154) = ( 0.1160714 0.5000000 0.0000000), wk = 0.0017730 k( 155) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0017730 k( 156) = ( 0.0982143 0.5000000 0.0000000), wk = 0.0017730 k( 157) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0017730 k( 158) = ( 0.0803571 0.5000000 0.0000000), wk = 0.0017730 k( 159) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0017730 k( 160) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0017730 k( 161) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0017730 k( 162) = ( 0.0446429 0.5000000 0.0000000), wk = 0.0017730 k( 163) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0017730 k( 164) = ( 0.0267857 0.5000000 0.0000000), wk = 0.0017730 k( 165) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0017730 k( 166) = ( 0.0089286 0.5000000 0.0000000), wk = 0.0017730 k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017730 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017730 k( 169) = ( 0.0000000 0.4903846 0.0000000), wk = 0.0017730 k( 170) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0017730 k( 171) = ( 0.0000000 0.4711538 0.0000000), wk = 0.0017730 k( 172) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0017730 k( 173) = ( 0.0000000 0.4519231 0.0000000), wk = 0.0017730 k( 174) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0017730 k( 175) = ( 0.0000000 0.4326923 0.0000000), wk = 0.0017730 k( 176) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0017730 k( 177) = ( 0.0000000 0.4134615 0.0000000), wk = 0.0017730 k( 178) = ( 0.0000000 0.4038461 0.0000000), wk = 0.0017730 k( 179) = ( 0.0000000 0.3942308 0.0000000), wk = 0.0017730 k( 180) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0017730 k( 181) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0017730 k( 182) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0017730 k( 183) = ( 0.0000000 0.3557692 0.0000000), wk = 0.0017730 k( 184) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0017730 k( 185) = ( 0.0000000 0.3365385 0.0000000), wk = 0.0017730 k( 186) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0017730 k( 187) = ( 0.0000000 0.3173077 0.0000000), wk = 0.0017730 k( 188) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0017730 k( 189) = ( 0.0000000 0.2980769 -0.0000000), wk = 0.0017730 k( 190) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0017730 k( 191) = ( 0.0000000 0.2788462 0.0000000), wk = 0.0017730 k( 192) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0017730 k( 193) = ( 0.0000000 0.2596154 0.0000000), wk = 0.0017730 k( 194) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0017730 k( 195) = ( 0.0000000 0.2403846 0.0000000), wk = 0.0017730 k( 196) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0017730 k( 197) = ( 0.0000000 0.2211538 0.0000000), wk = 0.0017730 k( 198) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0017730 k( 199) = ( 0.0000000 0.2019231 0.0000000), wk = 0.0017730 k( 200) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0017730 k( 201) = ( 0.0000000 0.1826923 0.0000000), wk = 0.0017730 k( 202) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0017730 k( 203) = ( 0.0000000 0.1634615 0.0000000), wk = 0.0017730 k( 204) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0017730 k( 205) = ( 0.0000000 0.1442308 0.0000000), wk = 0.0017730 k( 206) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0017730 k( 207) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0017730 k( 208) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0017730 k( 209) = ( 0.0000000 0.1057692 0.0000000), wk = 0.0017730 k( 210) = ( 0.0000000 0.0961538 0.0000000), wk = 0.0017730 k( 211) = ( 0.0000000 0.0865385 0.0000000), wk = 0.0017730 k( 212) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0017730 k( 213) = ( 0.0000000 0.0673077 0.0000000), wk = 0.0017730 k( 214) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0017730 k( 215) = ( 0.0000000 0.0480769 0.0000000), wk = 0.0017730 k( 216) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0017730 k( 217) = ( 0.0000000 0.0288462 0.0000000), wk = 0.0017730 k( 218) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0017730 k( 219) = ( 0.0000000 0.0096154 0.0000000), wk = 0.0017730 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 222) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0017730 k( 223) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0017730 k( 224) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0017730 k( 225) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0017730 k( 226) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0017730 k( 227) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0017730 k( 228) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0017730 k( 229) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0017730 k( 230) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0017730 k( 231) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017730 k( 232) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0017730 k( 233) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0017730 k( 234) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0017730 k( 235) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0017730 k( 236) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017730 k( 237) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0017730 k( 238) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0017730 k( 239) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0017730 k( 240) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0017730 k( 241) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017730 k( 242) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0017730 k( 243) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0017730 k( 244) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0017730 k( 245) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0017730 k( 246) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0017730 k( 247) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0017730 k( 248) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0017730 k( 249) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0017730 k( 250) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0017730 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017730 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017730 k( 253) = ( 0.0089286 0.0000000 0.5000000), wk = 0.0017730 k( 254) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0017730 k( 255) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0017730 k( 256) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0017730 k( 257) = ( 0.0446429 -0.0000000 0.5000000), wk = 0.0017730 k( 258) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0017730 k( 259) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0017730 k( 260) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0017730 k( 261) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0017730 k( 262) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0017730 k( 263) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0017730 k( 264) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0017730 k( 265) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0017730 k( 266) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0017730 k( 267) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0017730 k( 268) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0017730 k( 269) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0017730 k( 270) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0017730 k( 271) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0017730 k( 272) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0017730 k( 273) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0017730 k( 274) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0017730 k( 275) = ( 0.2053571 -0.0000000 0.5000000), wk = 0.0017730 k( 276) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0017730 k( 277) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0017730 k( 278) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0017730 k( 279) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0017730 k( 280) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0017730 k( 281) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0017730 k( 282) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0017730 k( 283) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0017730 k( 284) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0017730 k( 285) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0017730 k( 286) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0017730 k( 287) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0017730 k( 288) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0017730 k( 289) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0017730 k( 290) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0017730 k( 291) = ( 0.3482143 -0.0000000 0.5000000), wk = 0.0017730 k( 292) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0017730 k( 293) = ( 0.3660714 -0.0000000 0.5000000), wk = 0.0017730 k( 294) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0017730 k( 295) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0017730 k( 296) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0017730 k( 297) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0017730 k( 298) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0017730 k( 299) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0017730 k( 300) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0017730 k( 301) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0017730 k( 302) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0017730 k( 303) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0017730 k( 304) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0017730 k( 305) = ( 0.4732143 -0.0000000 0.5000000), wk = 0.0017730 k( 306) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0017730 k( 307) = ( 0.4910714 -0.0000000 0.5000000), wk = 0.0017730 k( 308) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 309) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 310) = ( 0.5000000 0.0096154 0.5000000), wk = 0.0017730 k( 311) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0017730 k( 312) = ( 0.5000000 0.0288462 0.5000000), wk = 0.0017730 k( 313) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0017730 k( 314) = ( 0.5000000 0.0480769 0.5000000), wk = 0.0017730 k( 315) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0017730 k( 316) = ( 0.5000000 0.0673077 0.5000000), wk = 0.0017730 k( 317) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0017730 k( 318) = ( 0.5000000 0.0865385 0.5000000), wk = 0.0017730 k( 319) = ( 0.5000000 0.0961538 0.5000000), wk = 0.0017730 k( 320) = ( 0.5000000 0.1057692 0.5000000), wk = 0.0017730 k( 321) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0017730 k( 322) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0017730 k( 323) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0017730 k( 324) = ( 0.5000000 0.1442308 0.5000000), wk = 0.0017730 k( 325) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0017730 k( 326) = ( 0.5000000 0.1634615 0.5000000), wk = 0.0017730 k( 327) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0017730 k( 328) = ( 0.5000000 0.1826923 0.5000000), wk = 0.0017730 k( 329) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0017730 k( 330) = ( 0.5000000 0.2019231 0.5000000), wk = 0.0017730 k( 331) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0017730 k( 332) = ( 0.5000000 0.2211538 0.5000000), wk = 0.0017730 k( 333) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0017730 k( 334) = ( 0.5000000 0.2403846 0.5000000), wk = 0.0017730 k( 335) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0017730 k( 336) = ( 0.5000000 0.2596154 0.5000000), wk = 0.0017730 k( 337) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0017730 k( 338) = ( 0.5000000 0.2788461 0.5000000), wk = 0.0017730 k( 339) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0017730 k( 340) = ( 0.5000000 0.2980769 0.5000000), wk = 0.0017730 k( 341) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0017730 k( 342) = ( 0.5000000 0.3173077 0.5000000), wk = 0.0017730 k( 343) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0017730 k( 344) = ( 0.5000000 0.3365385 0.5000000), wk = 0.0017730 k( 345) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0017730 k( 346) = ( 0.5000000 0.3557692 0.5000000), wk = 0.0017730 k( 347) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0017730 k( 348) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0017730 k( 349) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0017730 k( 350) = ( 0.5000000 0.3942308 0.5000000), wk = 0.0017730 k( 351) = ( 0.5000000 0.4038461 0.5000000), wk = 0.0017730 k( 352) = ( 0.5000000 0.4134615 0.5000000), wk = 0.0017730 k( 353) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0017730 k( 354) = ( 0.5000000 0.4326923 0.5000000), wk = 0.0017730 k( 355) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0017730 k( 356) = ( 0.5000000 0.4519231 0.5000000), wk = 0.0017730 k( 357) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0017730 k( 358) = ( 0.5000000 0.4711538 0.5000000), wk = 0.0017730 k( 359) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0017730 k( 360) = ( 0.5000000 0.4903846 0.5000000), wk = 0.0017730 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 362) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 363) = ( 0.4910714 0.5000000 0.5000000), wk = 0.0017730 k( 364) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0017730 k( 365) = ( 0.4732143 0.5000000 0.5000000), wk = 0.0017730 k( 366) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0017730 k( 367) = ( 0.4553571 0.5000000 0.5000000), wk = 0.0017730 k( 368) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0017730 k( 369) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0017730 k( 370) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0017730 k( 371) = ( 0.4196429 0.5000000 0.5000000), wk = 0.0017730 k( 372) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0017730 k( 373) = ( 0.4017857 0.5000000 0.5000000), wk = 0.0017730 k( 374) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0017730 k( 375) = ( 0.3839286 0.5000000 0.5000000), wk = 0.0017730 k( 376) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0017730 k( 377) = ( 0.3660714 0.5000000 0.5000000), wk = 0.0017730 k( 378) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0017730 k( 379) = ( 0.3482143 0.5000000 0.5000000), wk = 0.0017730 k( 380) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0017730 k( 381) = ( 0.3303571 0.5000000 0.5000000), wk = 0.0017730 k( 382) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0017730 k( 383) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0017730 k( 384) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0017730 k( 385) = ( 0.2946429 0.5000000 0.5000000), wk = 0.0017730 k( 386) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0017730 k( 387) = ( 0.2767857 0.5000000 0.5000000), wk = 0.0017730 k( 388) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0017730 k( 389) = ( 0.2589286 0.5000000 0.5000000), wk = 0.0017730 k( 390) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0017730 k( 391) = ( 0.2410714 0.5000000 0.5000000), wk = 0.0017730 k( 392) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0017730 k( 393) = ( 0.2232143 0.5000000 0.5000000), wk = 0.0017730 k( 394) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0017730 k( 395) = ( 0.2053571 0.5000000 0.5000000), wk = 0.0017730 k( 396) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0017730 k( 397) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0017730 k( 398) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0017730 k( 399) = ( 0.1696429 0.5000000 0.5000000), wk = 0.0017730 k( 400) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0017730 k( 401) = ( 0.1517857 0.5000000 0.5000000), wk = 0.0017730 k( 402) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0017730 k( 403) = ( 0.1339286 0.5000000 0.5000000), wk = 0.0017730 k( 404) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0017730 k( 405) = ( 0.1160714 0.5000000 0.5000000), wk = 0.0017730 k( 406) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0017730 k( 407) = ( 0.0982143 0.5000000 0.5000000), wk = 0.0017730 k( 408) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0017730 k( 409) = ( 0.0803571 0.5000000 0.5000000), wk = 0.0017730 k( 410) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0017730 k( 411) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0017730 k( 412) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0017730 k( 413) = ( 0.0446429 0.5000000 0.5000000), wk = 0.0017730 k( 414) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0017730 k( 415) = ( 0.0267857 0.5000000 0.5000000), wk = 0.0017730 k( 416) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0017730 k( 417) = ( 0.0089286 0.5000000 0.5000000), wk = 0.0017730 k( 418) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017730 k( 419) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017730 k( 420) = ( 0.0000000 0.4903846 0.5000000), wk = 0.0017730 k( 421) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0017730 k( 422) = ( 0.0000000 0.4711538 0.5000000), wk = 0.0017730 k( 423) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0017730 k( 424) = ( 0.0000000 0.4519231 0.5000000), wk = 0.0017730 k( 425) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0017730 k( 426) = ( 0.0000000 0.4326923 0.5000000), wk = 0.0017730 k( 427) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0017730 k( 428) = ( 0.0000000 0.4134615 0.5000000), wk = 0.0017730 k( 429) = ( 0.0000000 0.4038461 0.5000000), wk = 0.0017730 k( 430) = ( 0.0000000 0.3942308 0.5000000), wk = 0.0017730 k( 431) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0017730 k( 432) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0017730 k( 433) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0017730 k( 434) = ( 0.0000000 0.3557692 0.5000000), wk = 0.0017730 k( 435) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0017730 k( 436) = ( 0.0000000 0.3365385 0.5000000), wk = 0.0017730 k( 437) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0017730 k( 438) = ( 0.0000000 0.3173077 0.5000000), wk = 0.0017730 k( 439) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0017730 k( 440) = ( 0.0000000 0.2980769 0.5000000), wk = 0.0017730 k( 441) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0017730 k( 442) = ( 0.0000000 0.2788462 0.5000000), wk = 0.0017730 k( 443) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0017730 k( 444) = ( 0.0000000 0.2596154 0.5000000), wk = 0.0017730 k( 445) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0017730 k( 446) = ( 0.0000000 0.2403846 0.5000000), wk = 0.0017730 k( 447) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0017730 k( 448) = ( 0.0000000 0.2211538 0.5000000), wk = 0.0017730 k( 449) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0017730 k( 450) = ( 0.0000000 0.2019231 0.5000000), wk = 0.0017730 k( 451) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0017730 k( 452) = ( 0.0000000 0.1826923 0.5000000), wk = 0.0017730 k( 453) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0017730 k( 454) = ( 0.0000000 0.1634615 0.5000000), wk = 0.0017730 k( 455) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0017730 k( 456) = ( 0.0000000 0.1442308 0.5000000), wk = 0.0017730 k( 457) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0017730 k( 458) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0017730 k( 459) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0017730 k( 460) = ( 0.0000000 0.1057692 0.5000000), wk = 0.0017730 k( 461) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0017730 k( 462) = ( 0.0000000 0.0865385 0.5000000), wk = 0.0017730 k( 463) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0017730 k( 464) = ( 0.0000000 0.0673077 0.5000000), wk = 0.0017730 k( 465) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0017730 k( 466) = ( 0.0000000 0.0480769 0.5000000), wk = 0.0017730 k( 467) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0017730 k( 468) = ( 0.0000000 0.0288462 0.5000000), wk = 0.0017730 k( 469) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0017730 k( 470) = ( 0.0000000 0.0096154 0.5000000), wk = 0.0017730 k( 471) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017730 k( 472) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017730 k( 473) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0017730 k( 474) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0017730 k( 475) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0017730 k( 476) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0017730 k( 477) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0017730 k( 478) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0017730 k( 479) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0017730 k( 480) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0017730 k( 481) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0017730 k( 482) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0017730 k( 483) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0017730 k( 484) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0017730 k( 485) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0017730 k( 486) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0017730 k( 487) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0017730 k( 488) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0017730 k( 489) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0017730 k( 490) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0017730 k( 491) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0017730 k( 492) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0017730 k( 493) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0017730 k( 494) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0017730 k( 495) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0017730 k( 496) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0017730 k( 497) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0017730 k( 498) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0017730 k( 499) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0017730 k( 500) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0017730 k( 501) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0017730 k( 502) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017730 k( 503) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 504) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0017730 k( 505) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0017730 k( 506) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0017730 k( 507) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0017730 k( 508) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0017730 k( 509) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0017730 k( 510) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0017730 k( 511) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0017730 k( 512) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0017730 k( 513) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0017730 k( 514) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0017730 k( 515) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0017730 k( 516) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0017730 k( 517) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0017730 k( 518) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0017730 k( 519) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0017730 k( 520) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0017730 k( 521) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0017730 k( 522) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0017730 k( 523) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0017730 k( 524) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0017730 k( 525) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0017730 k( 526) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0017730 k( 527) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0017730 k( 528) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0017730 k( 529) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0017730 k( 530) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0017730 k( 531) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0017730 k( 532) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0017730 k( 533) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017730 k( 534) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017730 k( 535) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0017730 k( 536) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0017730 k( 537) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0017730 k( 538) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0017730 k( 539) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0017730 k( 540) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0017730 k( 541) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0017730 k( 542) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0017730 k( 543) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0017730 k( 544) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0017730 k( 545) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0017730 k( 546) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0017730 k( 547) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0017730 k( 548) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0017730 k( 549) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0017730 k( 550) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0017730 k( 551) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0017730 k( 552) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0017730 k( 553) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0017730 k( 554) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0017730 k( 555) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0017730 k( 556) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0017730 k( 557) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0017730 k( 558) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0017730 k( 559) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0017730 k( 560) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0017730 k( 561) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0017730 k( 562) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0017730 k( 563) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0017730 k( 564) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 Dense grid: 82323 G-vectors FFT dimensions: ( 45, 48, 80) Smooth grid: 9577 G-vectors FFT dimensions: ( 24, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 40, 26) NL pseudopotentials 0.02 Mb ( 20, 68) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1717) G-vector shells 0.01 Mb ( 841) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 40, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./CdTe.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 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 43.0 secs Computing kpt #: 3 total cpu time spent up to now is 43.4 secs Computing kpt #: 4 total cpu time spent up to now is 43.7 secs Computing kpt #: 5 total cpu time spent up to now is 44.1 secs Computing kpt #: 6 total cpu time spent up to now is 44.5 secs Computing kpt #: 7 total cpu time spent up to now is 44.9 secs Computing kpt #: 8 total cpu time spent up to now is 45.2 secs Computing kpt #: 9 total cpu time spent up to now is 45.6 secs Computing kpt #: 10 total cpu time spent up to now is 46.0 secs Computing kpt #: 11 total cpu time spent up to now is 46.5 secs Computing kpt #: 12 total cpu time spent up to now is 47.1 secs Computing kpt #: 13 total cpu time spent up to now is 47.8 secs Computing kpt #: 14 total cpu time spent up to now is 48.3 secs Computing kpt #: 15 total cpu time spent up to now is 48.8 secs Computing kpt #: 16 total cpu time spent up to now is 49.3 secs Computing kpt #: 17 total cpu time spent up to now is 49.7 secs Computing kpt #: 18 total cpu time spent up to now is 50.2 secs Computing kpt #: 19 total cpu time spent up to now is 50.6 secs Computing kpt #: 20 total cpu time spent up to now is 51.0 secs Computing kpt #: 21 total cpu time spent up to now is 51.4 secs Computing kpt #: 22 total cpu time spent up to now is 51.8 secs Computing kpt #: 23 total cpu time spent up to now is 52.2 secs Computing kpt #: 24 total cpu time spent up to now is 52.6 secs Computing kpt #: 25 total cpu time spent up to now is 53.0 secs Computing kpt #: 26 total cpu time spent up to now is 53.3 secs Computing kpt #: 27 total cpu time spent up to now is 53.7 secs Computing kpt #: 28 total cpu time spent up to now is 54.1 secs Computing kpt #: 29 total cpu time spent up to now is 54.4 secs Computing kpt #: 30 total cpu time spent up to now is 54.8 secs Computing kpt #: 31 total cpu time spent up to now is 55.1 secs Computing kpt #: 32 total cpu time spent up to now is 55.5 secs Computing kpt #: 33 total cpu time spent up to now is 55.8 secs Computing kpt #: 34 total cpu time spent up to now is 56.1 secs Computing kpt #: 35 total cpu time spent up to now is 56.4 secs Computing kpt #: 36 total cpu time spent up to now is 56.7 secs Computing kpt #: 37 total cpu time spent up to now is 57.0 secs Computing kpt #: 38 total cpu time spent up to now is 57.3 secs Computing kpt #: 39 total cpu time spent up to now is 57.7 secs Computing kpt #: 40 total cpu time spent up to now is 58.0 secs Computing kpt #: 41 total cpu time spent up to now is 58.3 secs Computing kpt #: 42 total cpu time spent up to now is 58.6 secs Computing kpt #: 43 total cpu time spent up to now is 59.0 secs Computing kpt #: 44 total cpu time spent up to now is 59.4 secs Computing kpt #: 45 total cpu time spent up to now is 59.8 secs Computing kpt #: 46 total cpu time spent up to now is 60.3 secs Computing kpt #: 47 total cpu time spent up to now is 60.6 secs Computing kpt #: 48 total cpu time spent up to now is 61.1 secs Computing kpt #: 49 total cpu time spent up to now is 61.7 secs Computing kpt #: 50 total cpu time spent up to now is 62.4 secs Computing kpt #: 51 total cpu time spent up to now is 62.9 secs Computing kpt #: 52 total cpu time spent up to now is 63.3 secs Computing kpt #: 53 total cpu time spent up to now is 64.5 secs Computing kpt #: 54 total cpu time spent up to now is 64.9 secs Computing kpt #: 55 total cpu time spent up to now is 65.4 secs Computing kpt #: 56 total cpu time spent up to now is 66.1 secs Computing kpt #: 57 total cpu time spent up to now is 66.5 secs Computing kpt #: 58 total cpu time spent up to now is 67.1 secs Computing kpt #: 59 total cpu time spent up to now is 69.6 secs Computing kpt #: 60 total cpu time spent up to now is 70.4 secs Computing kpt #: 61 total cpu time spent up to now is 70.8 secs Computing kpt #: 62 total cpu time spent up to now is 72.0 secs Computing kpt #: 63 total cpu time spent up to now is 72.5 secs Computing kpt #: 64 total cpu time spent up to now is 73.0 secs Computing kpt #: 65 total cpu time spent up to now is 73.6 secs Computing kpt #: 66 total cpu time spent up to now is 74.1 secs Computing kpt #: 67 total cpu time spent up to now is 74.5 secs Computing kpt #: 68 total cpu time spent up to now is 74.9 secs Computing kpt #: 69 total cpu time spent up to now is 75.3 secs Computing kpt #: 70 total cpu time spent up to now is 75.6 secs Computing kpt #: 71 total cpu time spent up to now is 76.0 secs Computing kpt #: 72 total cpu time spent up to now is 76.3 secs Computing kpt #: 73 total cpu time spent up to now is 76.7 secs Computing kpt #: 74 total cpu time spent up to now is 77.0 secs Computing kpt #: 75 total cpu time spent up to now is 77.4 secs Computing kpt #: 76 total cpu time spent up to now is 77.7 secs Computing kpt #: 77 total cpu time spent up to now is 78.0 secs Computing kpt #: 78 total cpu time spent up to now is 78.4 secs Computing kpt #: 79 total cpu time spent up to now is 78.8 secs Computing kpt #: 80 total cpu time spent up to now is 79.1 secs Computing kpt #: 81 total cpu time spent up to now is 79.6 secs Computing kpt #: 82 total cpu time spent up to now is 80.0 secs Computing kpt #: 83 total cpu time spent up to now is 80.6 secs Computing kpt #: 84 total cpu time spent up to now is 80.9 secs Computing kpt #: 85 total cpu time spent up to now is 81.3 secs Computing kpt #: 86 total cpu time spent up to now is 81.7 secs Computing kpt #: 87 total cpu time spent up to now is 82.0 secs Computing kpt #: 88 total cpu time spent up to now is 82.4 secs Computing kpt #: 89 total cpu time spent up to now is 82.7 secs Computing kpt #: 90 total cpu time spent up to now is 83.1 secs Computing kpt #: 91 total cpu time spent up to now is 83.4 secs Computing kpt #: 92 total cpu time spent up to now is 83.9 secs Computing kpt #: 93 total cpu time spent up to now is 84.4 secs Computing kpt #: 94 total cpu time spent up to now is 84.9 secs Computing kpt #: 95 total cpu time spent up to now is 85.3 secs Computing kpt #: 96 total cpu time spent up to now is 85.7 secs Computing kpt #: 97 total cpu time spent up to now is 86.2 secs Computing kpt #: 98 total cpu time spent up to now is 86.6 secs Computing kpt #: 99 total cpu time spent up to now is 87.1 secs Computing kpt #: 100 total cpu time spent up to now is 87.6 secs Computing kpt #: 101 total cpu time spent up to now is 88.1 secs Computing kpt #: 102 total cpu time spent up to now is 88.6 secs Computing kpt #: 103 total cpu time spent up to now is 89.1 secs Computing kpt #: 104 total cpu time spent up to now is 90.1 secs Computing kpt #: 105 total cpu time spent up to now is 90.5 secs Computing kpt #: 106 total cpu time spent up to now is 90.9 secs Computing kpt #: 107 total cpu time spent up to now is 91.3 secs Computing kpt #: 108 total cpu time spent up to now is 91.7 secs Computing kpt #: 109 total cpu time spent up to now is 92.1 secs Computing kpt #: 110 total cpu time spent up to now is 92.5 secs Computing kpt #: 111 total cpu time spent up to now is 92.8 secs Computing kpt #: 112 total cpu time spent up to now is 93.2 secs Computing kpt #: 113 total cpu time spent up to now is 93.7 secs Computing kpt #: 114 total cpu time spent up to now is 94.4 secs Computing kpt #: 115 total cpu time spent up to now is 94.8 secs Computing kpt #: 116 total cpu time spent up to now is 95.3 secs Computing kpt #: 117 total cpu time spent up to now is 96.1 secs Computing kpt #: 118 total cpu time spent up to now is 96.6 secs Computing kpt #: 119 total cpu time spent up to now is 97.1 secs Computing kpt #: 120 total cpu time spent up to now is 97.6 secs Computing kpt #: 121 total cpu time spent up to now is 98.0 secs Computing kpt #: 122 total cpu time spent up to now is 98.3 secs Computing kpt #: 123 total cpu time spent up to now is 98.7 secs Computing kpt #: 124 total cpu time spent up to now is 99.0 secs Computing kpt #: 125 total cpu time spent up to now is 99.3 secs Computing kpt #: 126 total cpu time spent up to now is 99.7 secs Computing kpt #: 127 total cpu time spent up to now is 100.0 secs Computing kpt #: 128 total cpu time spent up to now is 100.3 secs Computing kpt #: 129 total cpu time spent up to now is 100.7 secs Computing kpt #: 130 total cpu time spent up to now is 101.0 secs Computing kpt #: 131 total cpu time spent up to now is 101.4 secs Computing kpt #: 132 total cpu time spent up to now is 101.7 secs Computing kpt #: 133 total cpu time spent up to now is 102.0 secs Computing kpt #: 134 total cpu time spent up to now is 102.3 secs Computing kpt #: 135 total cpu time spent up to now is 102.6 secs Computing kpt #: 136 total cpu time spent up to now is 102.9 secs Computing kpt #: 137 total cpu time spent up to now is 103.2 secs Computing kpt #: 138 total cpu time spent up to now is 103.5 secs Computing kpt #: 139 total cpu time spent up to now is 103.8 secs Computing kpt #: 140 total cpu time spent up to now is 104.1 secs Computing kpt #: 141 total cpu time spent up to now is 104.4 secs Computing kpt #: 142 total cpu time spent up to now is 104.7 secs Computing kpt #: 143 total cpu time spent up to now is 105.0 secs Computing kpt #: 144 total cpu time spent up to now is 106.2 secs Computing kpt #: 145 total cpu time spent up to now is 106.7 secs Computing kpt #: 146 total cpu time spent up to now is 108.1 secs Computing kpt #: 147 total cpu time spent up to now is 108.8 secs Computing kpt #: 148 total cpu time spent up to now is 109.8 secs Computing kpt #: 149 total cpu time spent up to now is 110.3 secs Computing kpt #: 150 total cpu time spent up to now is 111.4 secs Computing kpt #: 151 total cpu time spent up to now is 112.0 secs Computing kpt #: 152 total cpu time spent up to now is 112.5 secs Computing kpt #: 153 total cpu time spent up to now is 113.0 secs Computing kpt #: 154 total cpu time spent up to now is 113.5 secs Computing kpt #: 155 total cpu time spent up to now is 113.9 secs Computing kpt #: 156 total cpu time spent up to now is 114.3 secs Computing kpt #: 157 total cpu time spent up to now is 114.7 secs Computing kpt #: 158 total cpu time spent up to now is 115.2 secs Computing kpt #: 159 total cpu time spent up to now is 115.6 secs Computing kpt #: 160 total cpu time spent up to now is 116.1 secs Computing kpt #: 161 total cpu time spent up to now is 116.6 secs Computing kpt #: 162 total cpu time spent up to now is 117.2 secs Computing kpt #: 163 total cpu time spent up to now is 117.9 secs Computing kpt #: 164 total cpu time spent up to now is 118.6 secs Computing kpt #: 165 total cpu time spent up to now is 119.1 secs Computing kpt #: 166 total cpu time spent up to now is 119.6 secs Computing kpt #: 167 total cpu time spent up to now is 120.1 secs Computing kpt #: 168 total cpu time spent up to now is 120.5 secs Computing kpt #: 169 total cpu time spent up to now is 121.2 secs Computing kpt #: 170 total cpu time spent up to now is 121.6 secs Computing kpt #: 171 total cpu time spent up to now is 122.0 secs Computing kpt #: 172 total cpu time spent up to now is 122.5 secs Computing kpt #: 173 total cpu time spent up to now is 122.9 secs Computing kpt #: 174 total cpu time spent up to now is 123.5 secs Computing kpt #: 175 total cpu time spent up to now is 124.1 secs Computing kpt #: 176 total cpu time spent up to now is 124.6 secs Computing kpt #: 177 total cpu time spent up to now is 125.0 secs Computing kpt #: 178 total cpu time spent up to now is 125.4 secs Computing kpt #: 179 total cpu time spent up to now is 125.8 secs Computing kpt #: 180 total cpu time spent up to now is 126.2 secs Computing kpt #: 181 total cpu time spent up to now is 128.2 secs Computing kpt #: 182 total cpu time spent up to now is 128.6 secs Computing kpt #: 183 total cpu time spent up to now is 129.0 secs Computing kpt #: 184 total cpu time spent up to now is 129.3 secs Computing kpt #: 185 total cpu time spent up to now is 129.7 secs Computing kpt #: 186 total cpu time spent up to now is 130.1 secs Computing kpt #: 187 total cpu time spent up to now is 131.3 secs Computing kpt #: 188 total cpu time spent up to now is 131.7 secs Computing kpt #: 189 total cpu time spent up to now is 132.1 secs Computing kpt #: 190 total cpu time spent up to now is 132.4 secs Computing kpt #: 191 total cpu time spent up to now is 132.8 secs Computing kpt #: 192 total cpu time spent up to now is 133.2 secs Computing kpt #: 193 total cpu time spent up to now is 133.6 secs Computing kpt #: 194 total cpu time spent up to now is 134.8 secs Computing kpt #: 195 total cpu time spent up to now is 135.6 secs Computing kpt #: 196 total cpu time spent up to now is 136.0 secs Computing kpt #: 197 total cpu time spent up to now is 136.7 secs Computing kpt #: 198 total cpu time spent up to now is 137.2 secs Computing kpt #: 199 total cpu time spent up to now is 137.8 secs Computing kpt #: 200 total cpu time spent up to now is 138.2 secs Computing kpt #: 201 total cpu time spent up to now is 138.8 secs Computing kpt #: 202 total cpu time spent up to now is 139.4 secs Computing kpt #: 203 total cpu time spent up to now is 139.8 secs Computing kpt #: 204 total cpu time spent up to now is 140.2 secs Computing kpt #: 205 total cpu time spent up to now is 140.6 secs Computing kpt #: 206 total cpu time spent up to now is 141.0 secs Computing kpt #: 207 total cpu time spent up to now is 141.4 secs Computing kpt #: 208 total cpu time spent up to now is 141.8 secs Computing kpt #: 209 total cpu time spent up to now is 142.2 secs Computing kpt #: 210 total cpu time spent up to now is 142.5 secs Computing kpt #: 211 total cpu time spent up to now is 143.7 secs Computing kpt #: 212 total cpu time spent up to now is 144.3 secs Computing kpt #: 213 total cpu time spent up to now is 144.9 secs Computing kpt #: 214 total cpu time spent up to now is 145.3 secs Computing kpt #: 215 total cpu time spent up to now is 146.0 secs Computing kpt #: 216 total cpu time spent up to now is 146.4 secs Computing kpt #: 217 total cpu time spent up to now is 147.0 secs Computing kpt #: 218 total cpu time spent up to now is 147.8 secs Computing kpt #: 219 total cpu time spent up to now is 148.2 secs Computing kpt #: 220 total cpu time spent up to now is 148.7 secs Computing kpt #: 221 total cpu time spent up to now is 149.1 secs Computing kpt #: 222 total cpu time spent up to now is 149.4 secs Computing kpt #: 223 total cpu time spent up to now is 149.7 secs Computing kpt #: 224 total cpu time spent up to now is 150.1 secs Computing kpt #: 225 total cpu time spent up to now is 150.4 secs Computing kpt #: 226 total cpu time spent up to now is 150.8 secs Computing kpt #: 227 total cpu time spent up to now is 151.2 secs Computing kpt #: 228 total cpu time spent up to now is 151.9 secs Computing kpt #: 229 total cpu time spent up to now is 152.3 secs Computing kpt #: 230 total cpu time spent up to now is 152.7 secs Computing kpt #: 231 total cpu time spent up to now is 153.1 secs Computing kpt #: 232 total cpu time spent up to now is 153.5 secs Computing kpt #: 233 total cpu time spent up to now is 154.3 secs Computing kpt #: 234 total cpu time spent up to now is 154.8 secs Computing kpt #: 235 total cpu time spent up to now is 155.3 secs Computing kpt #: 236 total cpu time spent up to now is 155.7 secs Computing kpt #: 237 total cpu time spent up to now is 156.2 secs Computing kpt #: 238 total cpu time spent up to now is 156.6 secs Computing kpt #: 239 total cpu time spent up to now is 157.1 secs Computing kpt #: 240 total cpu time spent up to now is 157.6 secs Computing kpt #: 241 total cpu time spent up to now is 158.1 secs Computing kpt #: 242 total cpu time spent up to now is 158.5 secs Computing kpt #: 243 total cpu time spent up to now is 159.1 secs Computing kpt #: 244 total cpu time spent up to now is 159.5 secs Computing kpt #: 245 total cpu time spent up to now is 160.0 secs Computing kpt #: 246 total cpu time spent up to now is 160.5 secs Computing kpt #: 247 total cpu time spent up to now is 160.9 secs Computing kpt #: 248 total cpu time spent up to now is 161.4 secs Computing kpt #: 249 total cpu time spent up to now is 161.8 secs Computing kpt #: 250 total cpu time spent up to now is 162.3 secs Computing kpt #: 251 total cpu time spent up to now is 162.7 secs Computing kpt #: 252 total cpu time spent up to now is 163.3 secs Computing kpt #: 253 total cpu time spent up to now is 163.8 secs Computing kpt #: 254 total cpu time spent up to now is 164.4 secs Computing kpt #: 255 total cpu time spent up to now is 164.8 secs Computing kpt #: 256 total cpu time spent up to now is 165.2 secs Computing kpt #: 257 total cpu time spent up to now is 165.7 secs Computing kpt #: 258 total cpu time spent up to now is 166.0 secs Computing kpt #: 259 total cpu time spent up to now is 166.4 secs Computing kpt #: 260 total cpu time spent up to now is 166.8 secs Computing kpt #: 261 total cpu time spent up to now is 167.2 secs Computing kpt #: 262 total cpu time spent up to now is 167.6 secs Computing kpt #: 263 total cpu time spent up to now is 168.1 secs Computing kpt #: 264 total cpu time spent up to now is 168.5 secs Computing kpt #: 265 total cpu time spent up to now is 169.0 secs Computing kpt #: 266 total cpu time spent up to now is 169.4 secs Computing kpt #: 267 total cpu time spent up to now is 169.7 secs Computing kpt #: 268 total cpu time spent up to now is 170.1 secs Computing kpt #: 269 total cpu time spent up to now is 170.5 secs Computing kpt #: 270 total cpu time spent up to now is 170.8 secs Computing kpt #: 271 total cpu time spent up to now is 171.2 secs Computing kpt #: 272 total cpu time spent up to now is 171.6 secs Computing kpt #: 273 total cpu time spent up to now is 172.0 secs Computing kpt #: 274 total cpu time spent up to now is 172.4 secs Computing kpt #: 275 total cpu time spent up to now is 172.8 secs Computing kpt #: 276 total cpu time spent up to now is 173.2 secs Computing kpt #: 277 total cpu time spent up to now is 173.8 secs Computing kpt #: 278 total cpu time spent up to now is 174.4 secs Computing kpt #: 279 total cpu time spent up to now is 174.9 secs Computing kpt #: 280 total cpu time spent up to now is 175.3 secs Computing kpt #: 281 total cpu time spent up to now is 175.7 secs Computing kpt #: 282 total cpu time spent up to now is 176.1 secs Computing kpt #: 283 total cpu time spent up to now is 176.7 secs Computing kpt #: 284 total cpu time spent up to now is 177.7 secs Computing kpt #: 285 total cpu time spent up to now is 178.1 secs Computing kpt #: 286 total cpu time spent up to now is 178.5 secs Computing kpt #: 287 total cpu time spent up to now is 178.9 secs Computing kpt #: 288 total cpu time spent up to now is 179.3 secs Computing kpt #: 289 total cpu time spent up to now is 179.7 secs Computing kpt #: 290 total cpu time spent up to now is 180.1 secs Computing kpt #: 291 total cpu time spent up to now is 180.6 secs Computing kpt #: 292 total cpu time spent up to now is 181.1 secs Computing kpt #: 293 total cpu time spent up to now is 181.6 secs Computing kpt #: 294 total cpu time spent up to now is 182.5 secs Computing kpt #: 295 total cpu time spent up to now is 183.3 secs Computing kpt #: 296 total cpu time spent up to now is 184.0 secs Computing kpt #: 297 total cpu time spent up to now is 184.7 secs Computing kpt #: 298 total cpu time spent up to now is 185.3 secs Computing kpt #: 299 total cpu time spent up to now is 185.8 secs Computing kpt #: 300 total cpu time spent up to now is 186.3 secs Computing kpt #: 301 total cpu time spent up to now is 186.9 secs Computing kpt #: 302 total cpu time spent up to now is 187.3 secs Computing kpt #: 303 total cpu time spent up to now is 187.8 secs Computing kpt #: 304 total cpu time spent up to now is 188.2 secs Computing kpt #: 305 total cpu time spent up to now is 188.6 secs Computing kpt #: 306 total cpu time spent up to now is 188.9 secs Computing kpt #: 307 total cpu time spent up to now is 189.3 secs Computing kpt #: 308 total cpu time spent up to now is 189.6 secs Computing kpt #: 309 total cpu time spent up to now is 190.0 secs Computing kpt #: 310 total cpu time spent up to now is 190.4 secs Computing kpt #: 311 total cpu time spent up to now is 190.8 secs Computing kpt #: 312 total cpu time spent up to now is 191.2 secs Computing kpt #: 313 total cpu time spent up to now is 191.5 secs Computing kpt #: 314 total cpu time spent up to now is 191.9 secs Computing kpt #: 315 total cpu time spent up to now is 192.3 secs Computing kpt #: 316 total cpu time spent up to now is 192.7 secs Computing kpt #: 317 total cpu time spent up to now is 193.1 secs Computing kpt #: 318 total cpu time spent up to now is 193.4 secs Computing kpt #: 319 total cpu time spent up to now is 193.8 secs Computing kpt #: 320 total cpu time spent up to now is 194.3 secs Computing kpt #: 321 total cpu time spent up to now is 194.8 secs Computing kpt #: 322 total cpu time spent up to now is 195.4 secs Computing kpt #: 323 total cpu time spent up to now is 196.2 secs Computing kpt #: 324 total cpu time spent up to now is 197.4 secs Computing kpt #: 325 total cpu time spent up to now is 198.0 secs Computing kpt #: 326 total cpu time spent up to now is 198.4 secs Computing kpt #: 327 total cpu time spent up to now is 199.0 secs Computing kpt #: 328 total cpu time spent up to now is 199.5 secs Computing kpt #: 329 total cpu time spent up to now is 200.1 secs Computing kpt #: 330 total cpu time spent up to now is 200.5 secs Computing kpt #: 331 total cpu time spent up to now is 200.9 secs Computing kpt #: 332 total cpu time spent up to now is 201.4 secs Computing kpt #: 333 total cpu time spent up to now is 201.8 secs Computing kpt #: 334 total cpu time spent up to now is 202.2 secs Computing kpt #: 335 total cpu time spent up to now is 202.7 secs Computing kpt #: 336 total cpu time spent up to now is 203.2 secs Computing kpt #: 337 total cpu time spent up to now is 203.7 secs Computing kpt #: 338 total cpu time spent up to now is 204.3 secs Computing kpt #: 339 total cpu time spent up to now is 205.0 secs Computing kpt #: 340 total cpu time spent up to now is 205.5 secs Computing kpt #: 341 total cpu time spent up to now is 206.3 secs Computing kpt #: 342 total cpu time spent up to now is 206.9 secs Computing kpt #: 343 total cpu time spent up to now is 207.4 secs Computing kpt #: 344 total cpu time spent up to now is 207.9 secs Computing kpt #: 345 total cpu time spent up to now is 208.4 secs Computing kpt #: 346 total cpu time spent up to now is 208.9 secs Computing kpt #: 347 total cpu time spent up to now is 209.3 secs Computing kpt #: 348 total cpu time spent up to now is 209.8 secs Computing kpt #: 349 total cpu time spent up to now is 210.2 secs Computing kpt #: 350 total cpu time spent up to now is 210.6 secs Computing kpt #: 351 total cpu time spent up to now is 211.0 secs Computing kpt #: 352 total cpu time spent up to now is 211.4 secs Computing kpt #: 353 total cpu time spent up to now is 211.7 secs Computing kpt #: 354 total cpu time spent up to now is 212.1 secs Computing kpt #: 355 total cpu time spent up to now is 212.5 secs Computing kpt #: 356 total cpu time spent up to now is 213.0 secs Computing kpt #: 357 total cpu time spent up to now is 213.6 secs Computing kpt #: 358 total cpu time spent up to now is 214.2 secs Computing kpt #: 359 total cpu time spent up to now is 214.7 secs Computing kpt #: 360 total cpu time spent up to now is 215.1 secs Computing kpt #: 361 total cpu time spent up to now is 215.9 secs Computing kpt #: 362 total cpu time spent up to now is 217.3 secs Computing kpt #: 363 total cpu time spent up to now is 218.4 secs Computing kpt #: 364 total cpu time spent up to now is 219.4 secs Computing kpt #: 365 total cpu time spent up to now is 219.9 secs Computing kpt #: 366 total cpu time spent up to now is 220.9 secs Computing kpt #: 367 total cpu time spent up to now is 221.7 secs Computing kpt #: 368 total cpu time spent up to now is 222.1 secs Computing kpt #: 369 total cpu time spent up to now is 222.5 secs Computing kpt #: 370 total cpu time spent up to now is 222.9 secs Computing kpt #: 371 total cpu time spent up to now is 223.3 secs Computing kpt #: 372 total cpu time spent up to now is 223.7 secs Computing kpt #: 373 total cpu time spent up to now is 224.2 secs Computing kpt #: 374 total cpu time spent up to now is 224.9 secs Computing kpt #: 375 total cpu time spent up to now is 225.7 secs Computing kpt #: 376 total cpu time spent up to now is 226.7 secs Computing kpt #: 377 total cpu time spent up to now is 227.4 secs Computing kpt #: 378 total cpu time spent up to now is 227.9 secs Computing kpt #: 379 total cpu time spent up to now is 228.4 secs Computing kpt #: 380 total cpu time spent up to now is 228.9 secs Computing kpt #: 381 total cpu time spent up to now is 229.3 secs Computing kpt #: 382 total cpu time spent up to now is 229.8 secs Computing kpt #: 383 total cpu time spent up to now is 230.2 secs Computing kpt #: 384 total cpu time spent up to now is 230.6 secs Computing kpt #: 385 total cpu time spent up to now is 231.1 secs Computing kpt #: 386 total cpu time spent up to now is 231.7 secs Computing kpt #: 387 total cpu time spent up to now is 232.2 secs Computing kpt #: 388 total cpu time spent up to now is 232.8 secs Computing kpt #: 389 total cpu time spent up to now is 233.3 secs Computing kpt #: 390 total cpu time spent up to now is 233.7 secs Computing kpt #: 391 total cpu time spent up to now is 234.2 secs Computing kpt #: 392 total cpu time spent up to now is 234.6 secs Computing kpt #: 393 total cpu time spent up to now is 235.0 secs Computing kpt #: 394 total cpu time spent up to now is 235.4 secs Computing kpt #: 395 total cpu time spent up to now is 235.8 secs Computing kpt #: 396 total cpu time spent up to now is 236.2 secs Computing kpt #: 397 total cpu time spent up to now is 236.8 secs Computing kpt #: 398 total cpu time spent up to now is 237.6 secs Computing kpt #: 399 total cpu time spent up to now is 238.1 secs Computing kpt #: 400 total cpu time spent up to now is 238.7 secs Computing kpt #: 401 total cpu time spent up to now is 239.3 secs Computing kpt #: 402 total cpu time spent up to now is 240.1 secs Computing kpt #: 403 total cpu time spent up to now is 240.7 secs Computing kpt #: 404 total cpu time spent up to now is 241.2 secs Computing kpt #: 405 total cpu time spent up to now is 241.8 secs Computing kpt #: 406 total cpu time spent up to now is 242.3 secs Computing kpt #: 407 total cpu time spent up to now is 242.7 secs Computing kpt #: 408 total cpu time spent up to now is 243.2 secs Computing kpt #: 409 total cpu time spent up to now is 243.6 secs Computing kpt #: 410 total cpu time spent up to now is 244.1 secs Computing kpt #: 411 total cpu time spent up to now is 244.5 secs Computing kpt #: 412 total cpu time spent up to now is 245.0 secs Computing kpt #: 413 total cpu time spent up to now is 245.4 secs Computing kpt #: 414 total cpu time spent up to now is 245.9 secs Computing kpt #: 415 total cpu time spent up to now is 246.3 secs Computing kpt #: 416 total cpu time spent up to now is 246.7 secs Computing kpt #: 417 total cpu time spent up to now is 247.1 secs Computing kpt #: 418 total cpu time spent up to now is 247.5 secs Computing kpt #: 419 total cpu time spent up to now is 247.9 secs Computing kpt #: 420 total cpu time spent up to now is 248.3 secs Computing kpt #: 421 total cpu time spent up to now is 248.7 secs Computing kpt #: 422 total cpu time spent up to now is 249.2 secs Computing kpt #: 423 total cpu time spent up to now is 249.6 secs Computing kpt #: 424 total cpu time spent up to now is 250.1 secs Computing kpt #: 425 total cpu time spent up to now is 250.7 secs Computing kpt #: 426 total cpu time spent up to now is 251.2 secs Computing kpt #: 427 total cpu time spent up to now is 251.7 secs Computing kpt #: 428 total cpu time spent up to now is 252.1 secs Computing kpt #: 429 total cpu time spent up to now is 252.9 secs Computing kpt #: 430 total cpu time spent up to now is 253.5 secs Computing kpt #: 431 total cpu time spent up to now is 253.9 secs Computing kpt #: 432 total cpu time spent up to now is 254.4 secs Computing kpt #: 433 total cpu time spent up to now is 254.8 secs Computing kpt #: 434 total cpu time spent up to now is 255.3 secs Computing kpt #: 435 total cpu time spent up to now is 255.7 secs Computing kpt #: 436 total cpu time spent up to now is 256.2 secs Computing kpt #: 437 total cpu time spent up to now is 256.9 secs Computing kpt #: 438 total cpu time spent up to now is 257.5 secs Computing kpt #: 439 total cpu time spent up to now is 258.0 secs Computing kpt #: 440 total cpu time spent up to now is 258.5 secs Computing kpt #: 441 total cpu time spent up to now is 259.0 secs Computing kpt #: 442 total cpu time spent up to now is 259.5 secs Computing kpt #: 443 total cpu time spent up to now is 260.0 secs Computing kpt #: 444 total cpu time spent up to now is 261.1 secs Computing kpt #: 445 total cpu time spent up to now is 261.6 secs Computing kpt #: 446 total cpu time spent up to now is 262.1 secs Computing kpt #: 447 total cpu time spent up to now is 262.5 secs Computing kpt #: 448 total cpu time spent up to now is 262.9 secs Computing kpt #: 449 total cpu time spent up to now is 263.3 secs Computing kpt #: 450 total cpu time spent up to now is 263.7 secs Computing kpt #: 451 total cpu time spent up to now is 264.1 secs Computing kpt #: 452 total cpu time spent up to now is 264.6 secs Computing kpt #: 453 total cpu time spent up to now is 265.0 secs Computing kpt #: 454 total cpu time spent up to now is 265.4 secs Computing kpt #: 455 total cpu time spent up to now is 265.8 secs Computing kpt #: 456 total cpu time spent up to now is 266.2 secs Computing kpt #: 457 total cpu time spent up to now is 266.6 secs Computing kpt #: 458 total cpu time spent up to now is 267.0 secs Computing kpt #: 459 total cpu time spent up to now is 267.4 secs Computing kpt #: 460 total cpu time spent up to now is 267.9 secs Computing kpt #: 461 total cpu time spent up to now is 268.3 secs Computing kpt #: 462 total cpu time spent up to now is 268.8 secs Computing kpt #: 463 total cpu time spent up to now is 269.2 secs Computing kpt #: 464 total cpu time spent up to now is 269.6 secs Computing kpt #: 465 total cpu time spent up to now is 269.9 secs Computing kpt #: 466 total cpu time spent up to now is 270.3 secs Computing kpt #: 467 total cpu time spent up to now is 270.7 secs Computing kpt #: 468 total cpu time spent up to now is 271.0 secs Computing kpt #: 469 total cpu time spent up to now is 271.4 secs Computing kpt #: 470 total cpu time spent up to now is 271.8 secs Computing kpt #: 471 total cpu time spent up to now is 272.1 secs Computing kpt #: 472 total cpu time spent up to now is 272.5 secs Computing kpt #: 473 total cpu time spent up to now is 273.0 secs Computing kpt #: 474 total cpu time spent up to now is 273.5 secs Computing kpt #: 475 total cpu time spent up to now is 274.0 secs Computing kpt #: 476 total cpu time spent up to now is 274.5 secs Computing kpt #: 477 total cpu time spent up to now is 275.0 secs Computing kpt #: 478 total cpu time spent up to now is 275.5 secs Computing kpt #: 479 total cpu time spent up to now is 276.0 secs Computing kpt #: 480 total cpu time spent up to now is 276.5 secs Computing kpt #: 481 total cpu time spent up to now is 277.0 secs Computing kpt #: 482 total cpu time spent up to now is 277.4 secs Computing kpt #: 483 total cpu time spent up to now is 277.8 secs Computing kpt #: 484 total cpu time spent up to now is 278.2 secs Computing kpt #: 485 total cpu time spent up to now is 278.6 secs Computing kpt #: 486 total cpu time spent up to now is 279.0 secs Computing kpt #: 487 total cpu time spent up to now is 279.4 secs Computing kpt #: 488 total cpu time spent up to now is 279.8 secs Computing kpt #: 489 total cpu time spent up to now is 280.2 secs Computing kpt #: 490 total cpu time spent up to now is 280.5 secs Computing kpt #: 491 total cpu time spent up to now is 280.9 secs Computing kpt #: 492 total cpu time spent up to now is 281.3 secs Computing kpt #: 493 total cpu time spent up to now is 282.0 secs Computing kpt #: 494 total cpu time spent up to now is 283.1 secs Computing kpt #: 495 total cpu time spent up to now is 283.8 secs Computing kpt #: 496 total cpu time spent up to now is 284.5 secs Computing kpt #: 497 total cpu time spent up to now is 284.9 secs Computing kpt #: 498 total cpu time spent up to now is 285.3 secs Computing kpt #: 499 total cpu time spent up to now is 285.8 secs Computing kpt #: 500 total cpu time spent up to now is 286.2 secs Computing kpt #: 501 total cpu time spent up to now is 286.7 secs Computing kpt #: 502 total cpu time spent up to now is 287.1 secs Computing kpt #: 503 total cpu time spent up to now is 287.5 secs Computing kpt #: 504 total cpu time spent up to now is 287.8 secs Computing kpt #: 505 total cpu time spent up to now is 288.2 secs Computing kpt #: 506 total cpu time spent up to now is 288.6 secs Computing kpt #: 507 total cpu time spent up to now is 288.9 secs Computing kpt #: 508 total cpu time spent up to now is 289.2 secs Computing kpt #: 509 total cpu time spent up to now is 289.5 secs Computing kpt #: 510 total cpu time spent up to now is 290.4 secs Computing kpt #: 511 total cpu time spent up to now is 290.9 secs Computing kpt #: 512 total cpu time spent up to now is 291.3 secs Computing kpt #: 513 total cpu time spent up to now is 292.2 secs Computing kpt #: 514 total cpu time spent up to now is 292.5 secs Computing kpt #: 515 total cpu time spent up to now is 292.9 secs Computing kpt #: 516 total cpu time spent up to now is 293.3 secs Computing kpt #: 517 total cpu time spent up to now is 293.7 secs Computing kpt #: 518 total cpu time spent up to now is 294.2 secs Computing kpt #: 519 total cpu time spent up to now is 294.7 secs Computing kpt #: 520 total cpu time spent up to now is 295.2 secs Computing kpt #: 521 total cpu time spent up to now is 295.6 secs Computing kpt #: 522 total cpu time spent up to now is 296.0 secs Computing kpt #: 523 total cpu time spent up to now is 296.4 secs Computing kpt #: 524 total cpu time spent up to now is 296.8 secs Computing kpt #: 525 total cpu time spent up to now is 297.2 secs Computing kpt #: 526 total cpu time spent up to now is 297.6 secs Computing kpt #: 527 total cpu time spent up to now is 297.9 secs Computing kpt #: 528 total cpu time spent up to now is 298.3 secs Computing kpt #: 529 total cpu time spent up to now is 298.7 secs Computing kpt #: 530 total cpu time spent up to now is 299.3 secs Computing kpt #: 531 total cpu time spent up to now is 300.0 secs Computing kpt #: 532 total cpu time spent up to now is 300.9 secs Computing kpt #: 533 total cpu time spent up to now is 301.3 secs Computing kpt #: 534 total cpu time spent up to now is 301.7 secs Computing kpt #: 535 total cpu time spent up to now is 302.2 secs Computing kpt #: 536 total cpu time spent up to now is 302.8 secs Computing kpt #: 537 total cpu time spent up to now is 303.2 secs Computing kpt #: 538 total cpu time spent up to now is 303.6 secs Computing kpt #: 539 total cpu time spent up to now is 304.1 secs Computing kpt #: 540 total cpu time spent up to now is 304.6 secs Computing kpt #: 541 total cpu time spent up to now is 305.0 secs Computing kpt #: 542 total cpu time spent up to now is 305.4 secs Computing kpt #: 543 total cpu time spent up to now is 305.8 secs Computing kpt #: 544 total cpu time spent up to now is 306.2 secs Computing kpt #: 545 total cpu time spent up to now is 306.6 secs Computing kpt #: 546 total cpu time spent up to now is 307.1 secs Computing kpt #: 547 total cpu time spent up to now is 307.6 secs Computing kpt #: 548 total cpu time spent up to now is 308.5 secs Computing kpt #: 549 total cpu time spent up to now is 309.0 secs Computing kpt #: 550 total cpu time spent up to now is 309.6 secs Computing kpt #: 551 total cpu time spent up to now is 310.1 secs Computing kpt #: 552 total cpu time spent up to now is 310.6 secs Computing kpt #: 553 total cpu time spent up to now is 311.1 secs Computing kpt #: 554 total cpu time spent up to now is 311.6 secs Computing kpt #: 555 total cpu time spent up to now is 312.1 secs Computing kpt #: 556 total cpu time spent up to now is 312.5 secs Computing kpt #: 557 total cpu time spent up to now is 312.9 secs Computing kpt #: 558 total cpu time spent up to now is 313.3 secs Computing kpt #: 559 total cpu time spent up to now is 313.7 secs Computing kpt #: 560 total cpu time spent up to now is 314.1 secs Computing kpt #: 561 total cpu time spent up to now is 314.5 secs Computing kpt #: 562 total cpu time spent up to now is 315.0 secs Computing kpt #: 563 total cpu time spent up to now is 315.4 secs Computing kpt #: 564 total cpu time spent up to now is 315.7 secs ethr = 5.56E-11, avg # of iterations = 33.7 total cpu time spent up to now is 315.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -3.6441 -3.6441 1.2921 1.2921 1.6718 1.6718 2.5154 2.5154 2.7414 2.7414 3.1200 3.1200 5.2354 5.2354 6.2475 6.2475 13.0259 13.0259 15.3159 15.3159 17.3181 17.3181 20.3047 20.3047 20.4284 20.4284 k = 0.0089-0.0000-0.0000 ( 1213 PWs) bands (ev): -3.6428 -3.6426 1.2930 1.2932 1.6718 1.6722 2.5138 2.5172 2.7391 2.7423 3.1183 3.1205 5.2367 5.2379 6.2486 6.2489 13.0260 13.0276 15.2919 15.2946 17.3203 17.3241 20.2933 20.3209 20.4356 20.4623 k = 0.0179-0.0000-0.0000 ( 1201 PWs) bands (ev): -3.6385 -3.6383 1.2959 1.2963 1.6723 1.6731 2.5122 2.5190 2.7353 2.7418 3.1156 3.1199 5.2416 5.2441 6.2522 6.2528 13.0278 13.0312 15.2242 15.2295 17.3302 17.3375 20.2918 20.3304 20.4941 20.5310 k = 0.0268-0.0000-0.0000 ( 1203 PWs) bands (ev): -3.6313 -3.6310 1.3007 1.3013 1.6733 1.6745 2.5106 2.5209 2.7301 2.7399 3.1117 3.1181 5.2502 5.2539 6.2584 6.2593 13.0312 13.0363 15.1171 15.1248 17.3466 17.3568 20.2976 20.3360 20.5980 20.6343 k = 0.0357-0.0000-0.0000 ( 1203 PWs) bands (ev): -3.6212 -3.6208 1.3075 1.3083 1.6747 1.6763 2.5091 2.5229 2.7235 2.7368 3.1068 3.1152 5.2625 5.2674 6.2671 6.2683 13.0357 13.0429 14.9766 14.9864 17.3679 17.3804 20.3079 20.3429 20.7376 20.7707 k = 0.0446-0.0000-0.0000 ( 1209 PWs) bands (ev): -3.6083 -3.6077 1.3161 1.3171 1.6766 1.6787 2.5076 2.5250 2.7156 2.7324 3.1009 3.1112 5.2784 5.2844 6.2784 6.2799 13.0410 13.0504 14.8089 14.8208 17.3926 17.4070 20.3209 20.3523 20.9063 20.9366 k = 0.0536-0.0000-0.0000 ( 1205 PWs) bands (ev): -3.5925 -3.5918 1.3265 1.3276 1.6791 1.6815 2.5061 2.5273 2.7063 2.7268 3.0939 3.1062 5.2978 5.3048 6.2923 6.2940 13.0460 13.0581 14.6204 14.6346 17.4198 17.4355 20.3360 20.3641 21.0983 21.1272 k = 0.0625-0.0000-0.0000 ( 1205 PWs) bands (ev): -3.5738 -3.5730 1.3386 1.3399 1.6820 1.6850 2.5046 2.5296 2.6958 2.7203 3.0861 3.1001 5.3207 5.3287 6.3087 6.3108 13.0490 13.0644 14.4173 14.4342 17.4489 17.4657 20.3526 20.3781 21.3080 21.3373 k = 0.0714-0.0000-0.0000 ( 1201 PWs) bands (ev): -3.5522 -3.5513 1.3523 1.3538 1.6854 1.6890 2.5029 2.5320 2.6842 2.7129 3.0774 3.0930 5.3470 5.3558 6.3278 6.3301 13.0472 13.0667 14.2062 14.2266 17.4796 17.4974 20.3702 20.3935 21.5294 21.5619 k = 0.0804-0.0000-0.0000 ( 1201 PWs) bands (ev): -3.5278 -3.5268 1.3675 1.3692 1.6895 1.6936 2.5011 2.5346 2.6715 2.7047 3.0678 3.0850 5.3767 5.3862 6.3496 6.3522 13.0349 13.0597 13.9958 14.0208 17.5120 17.5305 20.3881 20.4096 21.7557 21.7955 k = 0.0893-0.0000-0.0000 ( 1201 PWs) bands (ev): -3.5005 -3.4994 1.3840 1.3859 1.6941 1.6989 2.4992 2.5372 2.6579 2.6959 3.0575 3.0762 5.4095 5.4197 6.3741 6.3769 13.0014 13.0323 13.7996 13.8300 17.5459 17.5652 20.4053 20.4255 21.9771 22.0320 k = 0.0982-0.0000-0.0000 ( 1201 PWs) bands (ev): -3.4703 -3.4691 1.4017 1.4037 1.6993 1.7049 2.4970 2.5400 2.6435 2.6868 3.0464 3.0665 5.4454 5.4562 6.4013 6.4044 12.9290 12.9645 13.6397 13.6739 17.5815 17.6017 20.4206 20.4396 22.1733 22.2607 k = 0.1071-0.0000-0.0000 ( 1189 PWs) bands (ev): -3.4374 -3.4361 1.4203 1.4224 1.7053 1.7117 2.4946 2.5428 2.6285 2.6774 3.0347 3.0560 5.4843 5.4956 6.4314 6.4346 12.8010 12.8358 13.5383 13.5711 17.6189 17.6400 20.4319 20.4499 22.2884 22.4186 k = 0.1161-0.0000-0.0000 ( 1181 PWs) bands (ev): -3.4016 -3.4002 1.4397 1.4418 1.7120 1.7194 2.4919 2.5457 2.6130 2.6680 3.0225 3.0449 5.5261 5.5377 6.4642 6.4677 12.6191 12.6490 13.4939 13.5210 17.6580 17.6802 20.4367 20.4539 22.2314 22.2524 k = 0.1250-0.0000-0.0000 ( 1181 PWs) bands (ev): -3.3630 -3.3615 1.4595 1.4616 1.7196 1.7281 2.4889 2.5487 2.5971 2.6587 3.0096 3.0332 5.5707 5.5826 6.5000 6.5037 12.4005 12.4250 13.4866 13.5076 17.6989 17.7224 20.4312 20.4475 22.0121 22.0463 k = 0.1339-0.0000-0.0000 ( 1185 PWs) bands (ev): -3.3217 -3.3200 1.4795 1.4816 1.7281 1.7378 2.4855 2.5517 2.5811 2.6498 2.9964 3.0210 5.6180 5.6300 6.5387 6.5426 12.1607 12.1810 13.5003 13.5163 17.7416 17.7666 20.4104 20.4257 21.7615 21.8160 k = 0.1429-0.0000-0.0000 ( 1185 PWs) bands (ev): -3.2776 -3.2758 1.4994 1.5014 1.7375 1.7487 2.4818 2.5548 2.5652 2.6413 2.9827 3.0083 5.6678 5.6799 6.5805 6.5845 11.9089 11.9263 13.5262 13.5385 17.7860 17.8128 20.3683 20.3825 21.5044 21.5671 k = 0.1518-0.0000-0.0000 ( 1189 PWs) bands (ev): -3.2307 -3.2288 1.5189 1.5207 1.7480 1.7608 2.4780 2.5496 2.5579 2.6335 2.9687 2.9953 5.7200 5.7322 6.6253 6.6294 11.6504 11.6655 13.5603 13.5696 17.8319 17.8610 20.2994 20.3122 21.2423 21.3084 k = 0.1607-0.0000-0.0000 ( 1189 PWs) bands (ev): -3.1811 -3.1792 1.5377 1.5392 1.7594 1.7741 2.4740 2.5345 2.5609 2.6264 2.9544 2.9820 5.7746 5.7867 6.6733 6.6776 11.3881 11.4016 13.6002 13.6070 17.8791 17.9110 20.2002 20.2113 20.9768 21.0446 k = 0.1696-0.0000-0.0000 ( 1193 PWs) bands (ev): -3.1289 -3.1268 1.5555 1.5567 1.7718 1.7885 2.4703 2.5203 2.5640 2.6200 2.9399 2.9685 5.8313 5.8434 6.7245 6.7289 11.1239 11.1361 13.6446 13.6495 17.9272 17.9626 20.0711 20.0807 20.7093 20.7785 k = 0.1786-0.0000-0.0000 ( 1197 PWs) bands (ev): -3.0739 -3.0717 1.5722 1.5731 1.7850 1.8038 2.4669 2.5071 2.5671 2.6144 2.9254 2.9549 5.8902 5.9021 6.7790 6.7835 10.8589 10.8702 13.6929 13.6961 17.9756 18.0156 19.9162 19.9247 20.4412 20.5125 k = 0.1875-0.0000-0.0000 ( 1195 PWs) bands (ev): -3.0164 -3.0141 1.5876 1.5882 1.7986 1.8198 2.4643 2.4955 2.5700 2.6095 2.9109 2.9413 5.9510 5.9628 6.8368 6.8414 10.5940 10.6046 13.7445 13.7462 18.0233 18.0692 19.7416 19.7494 20.1740 20.2485 k = 0.1964-0.0000-0.0000 ( 1195 PWs) bands (ev): -2.9562 -2.9538 1.6017 1.6020 1.8124 1.8358 2.4628 2.4856 2.5729 2.6053 2.8964 2.9279 6.0137 6.0252 6.8981 6.9028 10.3299 10.3399 13.7991 13.7994 18.0688 18.1226 19.5526 19.5607 19.9094 19.9887 k = 0.2054-0.0000-0.0000 ( 1195 PWs) bands (ev): -2.8935 -2.8910 1.6145 1.6146 1.8258 1.8515 2.4628 2.4780 2.5756 2.6016 2.8822 2.9147 6.0781 6.0894 6.9629 6.9676 10.0671 10.0766 13.8554 13.8563 18.1092 18.1737 19.3542 19.3634 19.6497 19.7362 k = 0.2143-0.0000-0.0000 ( 1194 PWs) bands (ev): -2.8284 -2.8257 1.6260 1.6262 1.8383 1.8663 2.4646 2.4729 2.5781 2.5983 2.8683 2.9018 6.1441 6.1551 7.0312 7.0360 9.8060 9.8151 13.9140 13.9160 18.1392 18.2185 19.1502 19.1618 19.3988 19.4958 k = 0.2232-0.0000-0.0000 ( 1194 PWs) bands (ev): -2.7607 -2.7580 1.6365 1.6368 1.8495 1.8795 2.4685 2.4708 2.5804 2.5955 2.8549 2.8895 6.2115 6.2222 7.1032 7.1081 9.5470 9.5558 13.9748 13.9780 18.1492 18.2479 18.9454 18.9598 19.1640 19.2762 k = 0.2321-0.0000-0.0000 ( 1198 PWs) bands (ev): -2.6907 -2.6879 1.6461 1.6465 1.8590 1.8906 2.4719 2.4746 2.5824 2.5930 2.8421 2.8779 6.2802 6.2906 7.1789 7.1838 9.2905 9.2990 14.0378 14.0421 18.1222 18.2401 18.7465 18.7602 18.9625 19.0933 k = 0.2411-0.0000-0.0000 ( 1198 PWs) bands (ev): -2.6184 -2.6155 1.6549 1.6554 1.8664 1.8993 2.4763 2.4830 2.5841 2.5909 2.8302 2.8671 6.3499 6.3601 7.2584 7.2633 9.0368 9.0451 14.1027 14.1081 18.0381 18.1583 18.5549 18.5626 18.8311 18.9692 k = 0.2500-0.0000-0.0000 ( 1204 PWs) bands (ev): -2.5439 -2.5408 1.6631 1.6635 1.8716 1.9052 2.4840 2.4934 2.5853 2.5893 2.8194 2.8574 6.4203 6.4303 7.3417 7.3466 8.7863 8.7943 14.1694 14.1758 17.8913 17.9921 18.3592 18.3637 18.7929 18.9140 k = 0.2589-0.0000-0.0000 ( 1212 PWs) bands (ev): -2.4672 -2.4640 1.6706 1.6711 1.8744 1.9083 2.4948 2.5052 2.5860 2.5884 2.8099 2.8489 6.4912 6.5010 7.4289 7.4336 8.5396 8.5472 14.2376 14.2452 17.6975 17.7752 18.1584 18.1629 18.8160 18.9135 k = 0.2679-0.0000-0.0000 ( 1216 PWs) bands (ev): -2.3884 -2.3852 1.6777 1.6781 1.8751 1.9088 2.5081 2.5172 2.5862 2.5889 2.8020 2.8421 6.5619 6.5717 7.5199 7.5243 8.2974 8.3044 14.3071 14.3160 17.4762 17.5357 17.9571 17.9621 18.8684 18.9470 k = 0.2768-0.0000-0.0000 ( 1212 PWs) bands (ev): -2.3077 -2.3044 1.6843 1.6847 1.8736 1.9067 2.5231 2.5278 2.5861 2.5920 2.7962 2.8371 6.6318 6.6416 7.6145 7.6179 8.0614 8.0669 14.3777 14.3881 17.2402 17.2862 17.7579 17.7632 18.9356 19.0006 k = 0.2857-0.0000-0.0000 ( 1208 PWs) bands (ev): -2.2252 -2.2218 1.6904 1.6908 1.8703 1.9024 2.5349 2.5387 2.5861 2.5990 2.7928 2.8345 6.6990 6.7093 7.7056 7.7098 7.8393 7.8420 14.4492 14.4612 16.9963 17.0322 17.5618 17.5672 19.0116 19.0668 k = 0.2946-0.0000-0.0000 ( 1208 PWs) bands (ev): -2.1410 -2.1375 1.6962 1.6965 1.8654 1.8963 2.5377 2.5522 2.5878 2.6099 2.7924 2.8346 6.7603 6.7715 7.5961 7.6082 7.8223 7.8342 14.5212 14.5351 16.7486 16.7764 17.3695 17.3748 19.0936 19.1416 k = 0.3036-0.0000-0.0000 ( 1204 PWs) bands (ev): -2.0554 -2.0517 1.7016 1.7018 1.8593 1.8886 2.5371 2.5597 2.5944 2.6231 2.7952 2.8380 6.8063 6.8194 7.3993 7.4066 7.9280 7.9372 14.5933 14.6096 16.4994 16.5203 17.1813 17.1866 19.1801 19.2227 k = 0.3125-0.0000-0.0000 ( 1204 PWs) bands (ev): -1.9683 -1.9646 1.7067 1.7069 1.8521 1.8799 2.5342 2.5602 2.6062 2.6365 2.8019 2.8452 6.8095 6.8262 7.2458 7.2489 8.0394 8.0480 14.6650 14.6845 16.2505 16.2647 16.9976 17.0028 19.2704 19.3087 k = 0.3214-0.0000-0.0000 ( 1204 PWs) bands (ev): -1.8802 -1.8764 1.7115 1.7115 1.8442 1.8703 2.5299 2.5568 2.6192 2.6489 2.8126 2.8564 6.7232 6.7422 7.1853 7.1859 8.1552 8.1638 14.7352 14.7594 16.0033 16.0102 16.8187 16.8239 19.3640 19.3989 k = 0.3304-0.0000-0.0000 ( 1196 PWs) bands (ev): -1.7911 -1.7873 1.7159 1.7160 1.8358 1.8601 2.5247 2.5516 2.6313 2.6594 2.8274 2.8716 6.5612 6.5798 7.2043 7.2054 8.2754 8.2840 14.8023 14.8339 15.7575 15.7600 16.6449 16.6501 19.4604 19.4926 k = 0.3393-0.0000-0.0000 ( 1200 PWs) bands (ev): -1.7014 -1.6976 1.7200 1.7202 1.8271 1.8497 2.5189 2.5455 2.6417 2.6678 2.8459 2.8907 6.3712 6.3893 7.2552 7.2570 8.3998 8.4086 14.8616 14.9071 15.5073 15.5252 16.4766 16.4819 19.5595 19.5895 k = 0.3482-0.0000-0.0000 ( 1206 PWs) bands (ev): -1.6114 -1.6075 1.7237 1.7241 1.8183 1.8391 2.5127 2.5388 2.6504 2.6744 2.8677 2.9129 6.1740 6.1921 7.3173 7.3196 8.5285 8.5376 14.8969 14.9761 15.2624 15.3152 16.3141 16.3196 19.6611 19.6892 k = 0.3571-0.0000-0.0000 ( 1206 PWs) bands (ev): -1.5214 -1.5175 1.7271 1.7278 1.8096 1.8286 2.5064 2.5318 2.6575 2.6793 2.8920 2.9378 5.9767 5.9950 7.3835 7.3860 8.6615 8.6708 14.8487 14.9746 15.0891 15.1893 16.1580 16.1636 19.7650 19.7914 k = 0.3661-0.0000-0.0000 ( 1204 PWs) bands (ev): -1.4318 -1.4279 1.7301 1.7312 1.8013 1.8183 2.5001 2.5246 2.6635 2.6831 2.9185 2.9648 5.7821 5.8009 7.4508 7.4534 8.7987 8.8083 14.6786 14.7531 15.1363 15.1855 16.0085 16.0146 19.8710 19.8961 k = 0.3750-0.0000-0.0000 ( 1198 PWs) bands (ev): -1.3430 -1.3391 1.7328 1.7343 1.7933 1.8083 2.4938 2.5176 2.6685 2.6861 2.9465 2.9934 5.5917 5.6112 7.5179 7.5205 8.9401 8.9500 14.4612 14.5131 15.2021 15.2287 15.8666 15.8734 19.9789 20.0028 k = 0.3839-0.0000-0.0000 ( 1194 PWs) bands (ev): -1.2555 -1.2517 1.7350 1.7372 1.7860 1.7989 2.4878 2.5107 2.6728 2.6884 2.9759 3.0233 5.4064 5.4267 7.5837 7.5862 9.0856 9.0959 14.2325 14.2737 15.2663 15.2814 15.7333 15.7414 20.0886 20.1114 k = 0.3929-0.0000-0.0000 ( 1198 PWs) bands (ev): -1.1699 -1.1661 1.7366 1.7398 1.7796 1.7900 2.4820 2.5040 2.6765 2.6902 3.0065 3.0544 5.2269 5.2482 7.6475 7.6500 9.2353 9.2459 14.0015 14.0365 15.3245 15.3308 15.6116 15.6228 20.1997 20.2216 k = 0.4018-0.0000-0.0000 ( 1198 PWs) bands (ev): -1.0868 -1.0831 1.7376 1.7421 1.7741 1.7819 2.4767 2.4977 2.6798 2.6917 3.0382 3.0866 5.0537 5.0761 7.7088 7.7111 9.3890 9.4000 13.7710 13.8018 15.3576 15.3619 15.5161 15.5341 20.3120 20.3331 k = 0.4107-0.0000-0.0000 ( 1200 PWs) bands (ev): -1.0068 -1.0032 1.7377 1.7440 1.7699 1.7746 2.4718 2.4918 2.6827 2.6929 3.0712 3.1199 4.8875 4.9111 7.7669 7.7692 9.5466 9.5580 13.5421 13.5699 15.3187 15.3260 15.4991 15.5175 20.4252 20.4454 k = 0.4196-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.9306 -0.9272 1.7370 1.7453 1.7671 1.7684 2.4674 2.4863 2.6853 2.6939 3.1056 3.1545 4.7288 4.7537 7.8215 7.8235 9.7081 9.7198 13.3155 13.3410 15.2361 15.2399 15.5375 15.5504 20.5386 20.5580 k = 0.4286-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.8592 -0.8560 1.7356 1.7457 1.7638 1.7654 2.4636 2.4812 2.6875 2.6947 3.1416 3.1904 4.5781 4.6043 7.8719 7.8738 9.8733 9.8854 13.0918 13.1154 15.1494 15.1514 15.5834 15.5929 20.6516 20.6703 k = 0.4375-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.7933 -0.7903 1.7338 1.7446 1.7611 1.7647 2.4604 2.4765 2.6895 2.6954 3.1794 3.2280 4.4360 4.4636 7.9177 7.9194 10.0419 10.0544 12.8712 12.8933 15.0686 15.0697 15.6277 15.6349 20.7634 20.7811 k = 0.4464-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.7337 -0.7311 1.7319 1.7422 1.7604 1.7645 2.4579 2.4723 2.6913 2.6960 3.2195 3.2672 4.3034 4.3322 7.9585 7.9600 10.2137 10.2265 12.6543 12.6750 14.9964 14.9970 15.6679 15.6735 20.8724 20.8891 k = 0.4554-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.6814 -0.6791 1.7302 1.7392 1.7607 1.7646 2.4560 2.4685 2.6928 2.6965 3.2618 3.3081 4.1811 4.2109 7.9938 7.9951 10.3881 10.4011 12.4417 12.4613 14.9342 14.9345 15.7032 15.7075 20.9769 20.9923 k = 0.4643-0.0000-0.0000 ( 1200 PWs) bands (ev): -0.6372 -0.6353 1.7289 1.7362 1.7614 1.7648 2.4548 2.4651 2.6940 2.6968 3.3064 3.3502 4.0705 4.1006 8.0233 8.0243 10.5640 10.5773 12.2346 12.2529 14.8824 14.8826 15.7328 15.7361 21.0741 21.0878 k = 0.4732-0.0000-0.0000 ( 1198 PWs) bands (ev): -0.6018 -0.6004 1.7281 1.7336 1.7623 1.7650 2.4542 2.4622 2.6950 2.6970 3.3523 3.3919 3.9740 4.0031 8.0467 8.0474 10.7394 10.7527 12.0352 12.0522 14.8417 14.8418 15.7564 15.7587 21.1600 21.1714 k = 0.4821-0.0000-0.0000 ( 1198 PWs) bands (ev): -0.5759 -0.5750 1.7277 1.7314 1.7632 1.7650 2.4542 2.4596 2.6958 2.6971 3.3973 3.4296 3.8961 3.9212 8.0636 8.0641 10.9092 10.9218 11.8491 11.8641 14.8124 14.8124 15.7736 15.7751 21.2294 21.2377 k = 0.4911-0.0000-0.0000 ( 1198 PWs) bands (ev): -0.5601 -0.5596 1.7279 1.7297 1.7639 1.7649 2.4548 2.4576 2.6964 2.6970 3.4360 3.4553 3.8453 3.8609 8.0738 8.0741 11.0572 11.0668 11.6941 11.7049 14.7947 14.7947 15.7841 15.7848 21.2758 21.2803 k = 0.5000-0.0000-0.0000 ( 1190 PWs) bands (ev): -0.5546 -0.5546 1.7286 1.7286 1.7645 1.7645 2.4559 2.4559 2.6968 2.6968 3.4584 3.4584 3.8325 3.8325 8.0774 8.0774 11.1307 11.1307 11.6273 11.6273 14.7888 14.7888 15.7879 15.7879 21.2937 21.2937 k = 0.5000-0.0000-0.0000 ( 1190 PWs) bands (ev): -0.5546 -0.5546 1.7286 1.7286 1.7645 1.7645 2.4559 2.4559 2.6968 2.6968 3.4584 3.4584 3.8325 3.8325 8.0774 8.0774 11.1307 11.1307 11.6273 11.6273 14.7888 14.7888 15.7879 15.7879 21.2937 21.2937 k = 0.5000 0.0089-0.0000 ( 1202 PWs) bands (ev): -0.5534 -0.5534 1.7287 1.7287 1.7650 1.7650 2.4555 2.4555 2.6963 2.6963 3.4585 3.4585 3.8339 3.8339 8.0791 8.0791 11.1326 11.1326 11.6283 11.6283 14.7899 14.7899 15.7711 15.7711 21.3105 21.3105 k = 0.5000 0.0179-0.0000 ( 1202 PWs) bands (ev): -0.5496 -0.5496 1.7290 1.7290 1.7666 1.7666 2.4543 2.4543 2.6948 2.6948 3.4587 3.4587 3.8383 3.8383 8.0844 8.0844 11.1381 11.1381 11.6315 11.6315 14.7932 14.7932 15.7215 15.7215 21.3601 21.3601 k = 0.5000 0.0268-0.0000 ( 1198 PWs) bands (ev): -0.5434 -0.5434 1.7295 1.7295 1.7692 1.7692 2.4523 2.4523 2.6923 2.6923 3.4592 3.4592 3.8454 3.8454 8.0932 8.0932 11.1473 11.1473 11.6367 11.6367 14.7987 14.7987 15.6409 15.6409 21.4401 21.4401 k = 0.5000 0.0357-0.0000 ( 1198 PWs) bands (ev): -0.5347 -0.5347 1.7301 1.7301 1.7729 1.7729 2.4496 2.4496 2.6888 2.6888 3.4599 3.4599 3.8554 3.8554 8.1054 8.1054 11.1602 11.1602 11.6441 11.6441 14.8063 14.8063 15.5322 15.5322 21.4729 21.4729 k = 0.5000 0.0446-0.0000 ( 1198 PWs) bands (ev): -0.5235 -0.5235 1.7310 1.7310 1.7774 1.7774 2.4463 2.4463 2.6844 2.6844 3.4609 3.4609 3.8682 3.8682 8.1211 8.1211 11.1767 11.1767 11.6536 11.6536 14.8162 14.8162 15.3987 15.3987 21.2030 21.2030 k = 0.5000 0.0536-0.0000 ( 1198 PWs) bands (ev): -0.5099 -0.5099 1.7319 1.7319 1.7829 1.7829 2.4424 2.4424 2.6792 2.6792 3.4620 3.4620 3.8837 3.8837 8.1403 8.1403 11.1968 11.1968 11.6652 11.6652 14.8282 14.8282 15.2440 15.2440 20.9337 20.9337 k = 0.5000 0.0625-0.0000 ( 1198 PWs) bands (ev): -0.4938 -0.4938 1.7329 1.7329 1.7892 1.7892 2.4381 2.4381 2.6732 2.6732 3.4633 3.4633 3.9019 3.9019 8.1628 8.1628 11.2203 11.2203 11.6789 11.6789 14.8423 14.8423 15.0716 15.0716 20.6673 20.6673 k = 0.5000 0.0714-0.0000 ( 1198 PWs) bands (ev): -0.4753 -0.4753 1.7341 1.7341 1.7961 1.7961 2.4335 2.4335 2.6665 2.6665 3.4649 3.4649 3.9227 3.9227 8.1886 8.1886 11.2473 11.2473 11.6947 11.6947 14.8559 14.8559 14.8872 14.8872 20.4040 20.4040 k = 0.5000 0.0804-0.0000 ( 1200 PWs) bands (ev): -0.4544 -0.4544 1.7353 1.7353 1.8035 1.8035 2.4288 2.4288 2.6593 2.6593 3.4667 3.4667 3.9460 3.9460 8.2177 8.2177 11.2776 11.2776 11.7126 11.7126 14.6843 14.6843 14.8782 14.8782 20.1439 20.1439 k = 0.5000 0.0893-0.0000 ( 1188 PWs) bands (ev): -0.4312 -0.4312 1.7366 1.7366 1.8112 1.8112 2.4240 2.4240 2.6515 2.6515 3.4688 3.4688 3.9719 3.9719 8.2500 8.2500 11.3111 11.3111 11.7327 11.7327 14.4758 14.4758 14.8988 14.8988 19.8873 19.8873 k = 0.5000 0.0982-0.0000 ( 1188 PWs) bands (ev): -0.4056 -0.4056 1.7379 1.7379 1.8191 1.8191 2.4195 2.4195 2.6435 2.6435 3.4711 3.4711 4.0002 4.0002 8.2854 8.2854 11.3477 11.3477 11.7549 11.7549 14.2598 14.2598 14.9218 14.9218 19.6342 19.6342 k = 0.5000 0.1071-0.0000 ( 1192 PWs) bands (ev): -0.3776 -0.3776 1.7392 1.7392 1.8269 1.8269 2.4152 2.4152 2.6354 2.6354 3.4737 3.4737 4.0308 4.0308 8.3239 8.3239 11.3873 11.3873 11.7791 11.7791 14.0382 14.0382 14.9470 14.9470 19.3847 19.3847 k = 0.5000 0.1161-0.0000 ( 1184 PWs) bands (ev): -0.3474 -0.3474 1.7406 1.7406 1.8343 1.8343 2.4113 2.4113 2.6273 2.6273 3.4766 3.4766 4.0637 4.0637 8.3653 8.3653 11.4297 11.4297 11.8052 11.8052 13.8125 13.8125 14.9745 14.9745 19.1390 19.1390 k = 0.5000 0.1250-0.0000 ( 1188 PWs) bands (ev): -0.3150 -0.3150 1.7419 1.7419 1.8413 1.8413 2.4079 2.4079 2.6196 2.6196 3.4797 3.4797 4.0987 4.0987 8.4096 8.4096 11.4748 11.4748 11.8331 11.8331 13.5842 13.5842 15.0041 15.0041 18.8972 18.8972 k = 0.5000 0.1339-0.0000 ( 1188 PWs) bands (ev): -0.2804 -0.2804 1.7431 1.7431 1.8474 1.8474 2.4051 2.4051 2.6126 2.6126 3.4831 3.4831 4.1359 4.1359 8.4567 8.4567 11.5222 11.5222 11.8625 11.8625 13.3548 13.3548 15.0359 15.0359 18.6595 18.6595 k = 0.5000 0.1429-0.0000 ( 1192 PWs) bands (ev): -0.2437 -0.2437 1.7442 1.7442 1.8527 1.8527 2.4026 2.4026 2.6067 2.6067 3.4868 3.4868 4.1752 4.1752 8.5064 8.5064 11.5719 11.5719 11.8927 11.8927 13.1258 13.1258 15.0700 15.0700 18.4260 18.4260 k = 0.5000 0.1518-0.0000 ( 1186 PWs) bands (ev): -0.2049 -0.2049 1.7452 1.7452 1.8568 1.8568 2.4003 2.4003 2.6024 2.6024 3.4909 3.4909 4.2164 4.2164 8.5586 8.5586 11.6233 11.6233 11.9224 11.9224 12.8997 12.8997 15.1062 15.1062 18.1969 18.1969 k = 0.5000 0.1607-0.0000 ( 1192 PWs) bands (ev): -0.1641 -0.1641 1.7460 1.7460 1.8598 1.8598 2.3980 2.3980 2.6002 2.6002 3.4952 3.4952 4.2594 4.2594 8.6133 8.6133 11.6760 11.6760 11.9483 11.9483 12.6808 12.6808 15.1446 15.1446 17.9724 17.9724 k = 0.5000 0.1696-0.0000 ( 1192 PWs) bands (ev): -0.1214 -0.1214 1.7464 1.7464 1.8615 1.8615 2.3951 2.3951 2.6007 2.6007 3.4998 3.4998 4.3043 4.3043 8.6702 8.6702 11.7284 11.7284 11.9615 11.9615 12.4796 12.4796 15.1852 15.1852 17.7527 17.7527 k = 0.5000 0.1786-0.0000 ( 1192 PWs) bands (ev): -0.0768 -0.0768 1.7465 1.7465 1.8620 1.8620 2.3915 2.3915 2.6043 2.6043 3.5048 3.5048 4.3509 4.3509 8.7293 8.7293 11.7747 11.7747 11.9389 11.9389 12.3258 12.3258 15.2280 15.2280 17.5380 17.5380 k = 0.5000 0.1875-0.0000 ( 1192 PWs) bands (ev): -0.0305 -0.0305 1.7461 1.7461 1.8615 1.8615 2.3867 2.3867 2.6114 2.6114 3.5101 3.5101 4.3990 4.3990 8.7902 8.7902 11.7590 11.7590 11.8949 11.8949 12.2608 12.2608 15.2729 15.2729 17.3287 17.3287 k = 0.5000 0.1964-0.0000 ( 1192 PWs) bands (ev): 0.0175 0.0175 1.7450 1.7450 1.8600 1.8600 2.3807 2.3807 2.6222 2.6222 3.5157 3.5157 4.4487 4.4487 8.8529 8.8529 11.6025 11.6025 11.9279 11.9279 12.2653 12.2653 15.3200 15.3200 17.1250 17.1250 k = 0.5000 0.2053-0.0000 ( 1204 PWs) bands (ev): 0.0670 0.0670 1.7433 1.7433 1.8579 1.8579 2.3734 2.3734 2.6365 2.6365 3.5217 3.5217 4.4998 4.4998 8.9171 8.9171 11.4016 11.4016 11.9818 11.9818 12.2991 12.2991 15.3692 15.3692 16.9273 16.9273 k = 0.5000 0.2143-0.0000 ( 1208 PWs) bands (ev): 0.1179 0.1179 1.7406 1.7406 1.8555 1.8555 2.3650 2.3650 2.6542 2.6542 3.5280 3.5280 4.5521 4.5521 8.9824 8.9824 11.1901 11.1901 12.0393 12.0393 12.3458 12.3458 15.4205 15.4205 16.7359 16.7359 k = 0.5000 0.2232-0.0000 ( 1208 PWs) bands (ev): 0.1701 0.1701 1.7370 1.7370 1.8529 1.8529 2.3557 2.3557 2.6749 2.6749 3.5347 3.5347 4.6056 4.6056 9.0485 9.0485 10.9766 10.9766 12.0977 12.0977 12.3998 12.3998 15.4740 15.4740 16.5514 16.5514 k = 0.5000 0.2321-0.0000 ( 1204 PWs) bands (ev): 0.2234 0.2234 1.7322 1.7322 1.8505 1.8505 2.3456 2.3456 2.6983 2.6983 3.5417 3.5417 4.6602 4.6602 9.1147 9.1147 10.7644 10.7644 12.1558 12.1558 12.4589 12.4589 15.5295 15.5295 16.3743 16.3743 k = 0.5000 0.2411-0.0000 ( 1208 PWs) bands (ev): 0.2776 0.2776 1.7264 1.7264 1.8484 1.8484 2.3351 2.3351 2.7242 2.7242 3.5490 3.5490 4.7156 4.7156 9.1800 9.1800 10.5560 10.5560 12.2129 12.2129 12.5222 12.5222 15.5869 15.5869 16.2052 16.2052 k = 0.5000 0.2500-0.0000 ( 1208 PWs) bands (ev): 0.3327 0.3327 1.7195 1.7195 1.8468 1.8468 2.3243 2.3243 2.7521 2.7521 3.5567 3.5567 4.7718 4.7718 9.2427 9.2427 10.3538 10.3538 12.2684 12.2684 12.5890 12.5890 15.6463 15.6463 16.0448 16.0448 k = 0.5000 0.2589-0.0000 ( 1208 PWs) bands (ev): 0.3883 0.3883 1.7115 1.7115 1.8457 1.8457 2.3134 2.3134 2.7818 2.7818 3.5648 3.5648 4.8285 4.8285 9.2992 9.2992 10.1616 10.1616 12.3214 12.3214 12.6590 12.6590 15.7069 15.7069 15.8945 15.8945 k = 0.5000 0.2678-0.0000 ( 1208 PWs) bands (ev): 0.4443 0.4443 1.7027 1.7027 1.8453 1.8453 2.3025 2.3025 2.8130 2.8130 3.5732 3.5732 4.8856 4.8856 9.3415 9.3415 9.9880 9.9880 12.3712 12.3712 12.7321 12.7321 15.7406 15.7406 15.7831 15.7831 k = 0.5000 0.2768-0.0000 ( 1208 PWs) bands (ev): 0.5005 0.5005 1.6931 1.6931 1.8454 1.8454 2.2917 2.2917 2.8455 2.8455 3.5819 3.5819 4.9429 4.9429 9.3498 9.3498 9.8527 9.8527 12.4168 12.4168 12.8081 12.8081 15.6197 15.6197 15.8393 15.8393 k = 0.5000 0.2857-0.0000 ( 1208 PWs) bands (ev): 0.5566 0.5566 1.6831 1.6831 1.8460 1.8460 2.2811 2.2811 2.8792 2.8792 3.5910 3.5910 5.0002 5.0002 9.2938 9.2938 9.7862 9.7862 12.4572 12.4572 12.8871 12.8871 15.5022 15.5022 15.9057 15.9057 k = 0.5000 0.2946-0.0000 ( 1200 PWs) bands (ev): 0.6122 0.6122 1.6726 1.6726 1.8471 1.8471 2.2708 2.2708 2.9138 2.9138 3.6004 3.6004 5.0573 5.0573 9.1729 9.1729 9.7892 9.7892 12.4913 12.4913 12.9690 12.9690 15.3971 15.3971 15.9744 15.9744 k = 0.5000 0.3036-0.0000 ( 1200 PWs) bands (ev): 0.6673 0.6673 1.6620 1.6620 1.8487 1.8487 2.2610 2.2610 2.9491 2.9491 3.6101 3.6101 5.1139 5.1139 9.0194 9.0194 9.8296 9.8296 12.5183 12.5183 13.0539 13.0539 15.3056 15.3056 16.0447 16.0447 k = 0.5000 0.3125-0.0000 ( 1200 PWs) bands (ev): 0.7213 0.7213 1.6513 1.6513 1.8507 1.8507 2.2515 2.2515 2.9849 2.9849 3.6201 3.6201 5.1698 5.1698 8.8549 8.8549 9.8857 9.8857 12.5373 12.5373 13.1418 13.1418 15.2283 15.2283 16.1165 16.1165 k = 0.5000 0.3214-0.0000 ( 1196 PWs) bands (ev): 0.7742 0.7742 1.6406 1.6406 1.8531 1.8531 2.2425 2.2425 3.0212 3.0212 3.6304 3.6304 5.2246 5.2246 8.6885 8.6885 9.9486 9.9486 12.5477 12.5477 13.2327 13.2327 15.1656 15.1656 16.1896 16.1896 k = 0.5000 0.3303-0.0000 ( 1192 PWs) bands (ev): 0.8254 0.8254 1.6302 1.6302 1.8558 1.8558 2.2341 2.2341 3.0576 3.0576 3.6410 3.6410 5.2782 5.2782 8.5244 8.5244 10.0141 10.0141 12.5495 12.5495 13.3266 13.3266 15.1177 15.1177 16.2639 16.2639 k = 0.5000 0.3393-0.0000 ( 1196 PWs) bands (ev): 0.8747 0.8747 1.6200 1.6200 1.8590 1.8590 2.2262 2.2262 3.0940 3.0940 3.6519 3.6519 5.3302 5.3302 8.3646 8.3646 10.0803 10.0803 12.5427 12.5427 13.4233 13.4233 15.0841 15.0841 16.3390 16.3390 k = 0.5000 0.3482-0.0000 ( 1194 PWs) bands (ev): 0.9219 0.9219 1.6102 1.6102 1.8624 1.8624 2.2188 2.2188 3.1302 3.1302 3.6631 3.6631 5.3802 5.3802 8.2105 8.2105 10.1459 10.1459 12.5282 12.5282 13.5226 13.5226 15.0640 15.0640 16.4146 16.4146 k = 0.5000 0.3571-0.0000 ( 1194 PWs) bands (ev): 0.9665 0.9665 1.6009 1.6009 1.8661 1.8661 2.2120 2.2120 3.1658 3.1658 3.6745 3.6745 5.4280 5.4280 8.0631 8.0631 10.2100 10.2100 12.5069 12.5069 13.6244 13.6244 15.0560 15.0560 16.4905 16.4905 k = 0.5000 0.3661-0.0000 ( 1194 PWs) bands (ev): 1.0083 1.0083 1.5921 1.5921 1.8701 1.8701 2.2058 2.2058 3.2006 3.2006 3.6861 3.6861 5.4732 5.4732 7.9233 7.9233 10.2719 10.2719 12.4801 12.4801 13.7282 13.7282 15.0587 15.0587 16.5661 16.5661 k = 0.5000 0.3750-0.0000 ( 1194 PWs) bands (ev): 1.0471 1.0471 1.5839 1.5839 1.8743 1.8743 2.2002 2.2002 3.2342 3.2342 3.6979 3.6979 5.5155 5.5155 7.7920 7.7920 10.3309 10.3309 12.4493 12.4493 13.8335 13.8335 15.0703 15.0703 16.6408 16.6408 k = 0.5000 0.3839-0.0000 ( 1194 PWs) bands (ev): 1.0825 1.0825 1.5763 1.5763 1.8787 1.8787 2.1951 2.1951 3.2662 3.2662 3.7098 3.7098 5.5545 5.5545 7.6699 7.6699 10.3865 10.3865 12.4162 12.4162 13.9397 13.9397 15.0889 15.0889 16.7141 16.7141 k = 0.5000 0.3928-0.0000 ( 1200 PWs) bands (ev): 1.1145 1.1145 1.5694 1.5694 1.8831 1.8831 2.1906 2.1906 3.2961 3.2961 3.7218 3.7218 5.5899 5.5899 7.5578 7.5578 10.4381 10.4381 12.3822 12.3822 14.0459 14.0459 15.1126 15.1126 16.7850 16.7850 k = 0.5000 0.4018-0.0000 ( 1196 PWs) bands (ev): 1.1429 1.1429 1.5633 1.5633 1.8875 1.8875 2.1867 2.1867 3.3236 3.3236 3.7335 3.7335 5.6215 5.6215 7.4566 7.4566 10.4852 10.4852 12.3487 12.3487 14.1507 14.1507 15.1398 15.1398 16.8525 16.8525 k = 0.5000 0.4107-0.0000 ( 1196 PWs) bands (ev): 1.1676 1.1676 1.5578 1.5578 1.8916 1.8916 2.1833 2.1833 3.3482 3.3482 3.7449 3.7449 5.6491 5.6491 7.3670 7.3670 10.5272 10.5272 12.3170 12.3170 14.2525 14.2525 15.1687 15.1687 16.9141 16.9141 k = 0.5000 0.4196-0.0000 ( 1204 PWs) bands (ev): 1.1884 1.1884 1.5532 1.5532 1.8955 1.8955 2.1805 2.1805 3.3696 3.3696 3.7556 3.7556 5.6725 5.6725 7.2897 7.2897 10.5637 10.5637 12.2883 12.2883 14.3489 14.3489 15.1978 15.1978 16.7884 16.7884 k = 0.5000 0.4286-0.0000 ( 1200 PWs) bands (ev): 1.2055 1.2055 1.5494 1.5494 1.8989 1.8989 2.1782 2.1782 3.3874 3.3874 3.7652 3.7652 5.6915 5.6915 7.2256 7.2256 10.5942 10.5942 12.2636 12.2636 14.4368 14.4368 15.2255 15.2255 16.6601 16.6601 k = 0.5000 0.4375-0.0000 ( 1200 PWs) bands (ev): 1.2188 1.2188 1.5464 1.5464 1.9017 1.9017 2.1764 2.1764 3.4015 3.4015 3.7733 3.7733 5.7062 5.7062 7.1750 7.1750 10.6183 10.6183 12.2435 12.2435 14.5123 14.5123 15.2504 15.2504 16.5506 16.5506 k = 0.5000 0.4464-0.0000 ( 1200 PWs) bands (ev): 1.2282 1.2282 1.5442 1.5442 1.9038 1.9038 2.1752 2.1752 3.4117 3.4117 3.7795 3.7795 5.7167 5.7167 7.1386 7.1386 10.6358 10.6358 12.2287 12.2287 14.5711 14.5711 15.2706 15.2706 16.4656 16.4656 k = 0.5000 0.4553-0.0000 ( 1200 PWs) bands (ev): 1.2339 1.2339 1.5430 1.5430 1.9051 1.9051 2.1744 2.1744 3.4178 3.4178 3.7833 3.7833 5.7229 5.7229 7.1166 7.1166 10.6464 10.6464 12.2197 12.2197 14.6086 14.6086 15.2841 15.2841 16.4112 16.4112 k = 0.5000 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.2358 1.2358 1.5425 1.5425 1.9055 1.9055 2.1742 2.1742 3.4198 3.4198 3.7847 3.7847 5.7250 5.7250 7.1093 7.1093 10.6500 10.6500 12.2167 12.2167 14.6216 14.6216 15.2889 15.2889 16.3924 16.3924 k = 0.5000 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.2358 1.2358 1.5425 1.5425 1.9055 1.9055 2.1742 2.1742 3.4198 3.4198 3.7847 3.7847 5.7250 5.7250 7.1093 7.1093 10.6500 10.6500 12.2167 12.2167 14.6216 14.6216 15.2889 15.2889 16.3924 16.3924 k = 0.4911 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.2321 1.2338 1.5429 1.5436 1.9033 1.9066 2.1730 2.1758 3.4172 3.4202 3.7687 3.7855 5.7259 5.7499 7.0980 7.1138 10.6447 10.6484 12.2208 12.2212 14.5946 14.6330 15.2410 15.2994 16.4107 16.4286 k = 0.4821 0.4643-0.0000 ( 1200 PWs) bands (ev): 1.2229 1.2262 1.5446 1.5460 1.9001 1.9068 2.1722 2.1779 3.4124 3.4184 3.7389 3.7714 5.7520 5.7999 7.0797 7.1120 10.6329 10.6402 12.2335 12.2344 14.5532 14.6283 15.1650 15.2736 16.4816 16.5104 k = 0.4732 0.4643-0.0000 ( 1200 PWs) bands (ev): 1.2081 1.2131 1.5478 1.5497 1.8958 1.9061 2.1718 2.1805 3.4054 3.4145 3.6973 3.7441 5.8009 5.8727 7.0544 7.1048 10.6146 10.6252 12.2541 12.2555 14.4989 14.6068 15.0739 15.2215 16.5942 16.6240 k = 0.4643 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.1878 1.1945 1.5523 1.5544 1.8907 1.9047 2.1717 2.1837 3.3962 3.4085 3.6468 3.7059 5.8691 5.9657 7.0226 7.0936 10.5900 10.6038 12.2816 12.2836 14.4339 14.5680 14.9795 15.1540 16.7181 16.7306 k = 0.4554 0.4643-0.0000 ( 1196 PWs) bands (ev): 1.1618 1.1703 1.5580 1.5602 1.8848 1.9028 2.1719 2.1875 3.3848 3.4004 3.5900 3.6595 5.9518 6.0758 6.9848 7.0807 10.5596 10.5761 12.3147 12.3171 14.3610 14.5117 14.8901 15.0794 16.6662 16.6892 k = 0.4464 0.4643-0.0000 ( 1200 PWs) bands (ev): 1.1303 1.1405 1.5648 1.5669 1.8783 1.9007 2.1726 2.1919 3.3713 3.3903 3.5294 3.6078 6.0434 6.1998 6.9422 7.0693 10.5235 10.5425 12.3514 12.3542 14.2833 14.4395 14.8108 15.0026 16.5874 16.6046 k = 0.4375 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.0934 1.1052 1.5727 1.5744 1.8714 1.8984 2.1736 2.1970 3.3555 3.3783 3.4671 3.5531 6.1369 6.3340 6.8966 7.0645 10.4824 10.5035 12.3895 12.3924 14.2038 14.3548 14.7435 14.9271 16.5010 16.5138 k = 0.4286 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.0512 1.0645 1.5815 1.5826 1.8644 1.8962 2.1750 2.2027 3.3373 3.3640 3.4050 3.4973 6.2232 6.4718 6.8538 7.0739 10.4364 10.4593 12.4264 12.4288 14.1252 14.2625 14.6881 14.8557 16.4095 16.4187 k = 0.4196 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.0038 1.0186 1.5912 1.5915 1.8573 1.8942 2.1769 2.2092 3.3166 3.3372 3.3545 3.4423 6.2916 6.5898 6.8359 7.1071 10.3861 10.4106 12.4590 12.4601 14.0495 14.1668 14.6453 14.7916 16.3143 16.3205 k = 0.4107 0.4643-0.0000 ( 1204 PWs) bands (ev): 0.9516 0.9676 1.6009 1.6018 1.8502 1.8925 2.1793 2.2165 3.2801 3.2926 3.3345 3.3897 6.3331 6.6246 6.9060 7.1722 10.3320 10.3577 12.4828 12.4842 13.9777 14.0704 14.6165 14.7384 16.2165 16.2201 k = 0.4018 0.4643-0.0000 ( 1196 PWs) bands (ev): 0.8948 0.9118 1.6108 1.6131 1.8434 1.8912 2.1822 2.2245 3.2223 3.2641 3.3161 3.3416 6.3449 6.5863 7.0535 7.2716 10.2744 10.3012 12.4938 12.4991 13.9094 13.9744 14.6044 14.7006 16.1169 16.1182 k = 0.3929 0.4643-0.0000 ( 1196 PWs) bands (ev): 0.8338 0.8517 1.6212 1.6251 1.8368 1.8904 2.1857 2.2332 3.1666 3.2295 3.2967 3.3000 6.3310 6.5256 7.2273 7.4009 10.2139 10.2416 12.4909 12.5014 13.8427 13.8791 14.6119 14.6830 16.0157 16.0163 k = 0.3839 0.4643-0.0000 ( 1196 PWs) bands (ev): 0.7691 0.7877 1.6318 1.6378 1.8304 1.8901 2.1899 2.2428 3.1132 3.1891 3.2650 3.2764 6.2981 6.4570 7.4130 7.5531 10.1509 10.1795 12.4732 12.4897 13.7748 13.7841 14.6410 14.6897 15.9129 15.9152 k = 0.3750 0.4643-0.0000 ( 1200 PWs) bands (ev): 0.7012 0.7202 1.6427 1.6510 1.8243 1.8904 2.1948 2.2531 3.0622 3.1455 3.2344 3.2552 6.2522 6.3844 7.6063 7.7221 10.0861 10.1154 12.4412 12.4643 13.6887 13.7031 14.6928 14.7231 15.8104 15.8142 k = 0.3661 0.4643-0.0000 ( 1192 PWs) bands (ev): 0.6305 0.6498 1.6536 1.6648 1.8184 1.8911 2.2003 2.2642 3.0136 3.1008 3.2058 3.2335 6.1975 6.3094 7.8056 7.9035 10.0198 10.0498 12.3965 12.4261 13.5925 13.6263 14.7668 14.7832 15.7084 15.7136 k = 0.3571 0.4643-0.0000 ( 1192 PWs) bands (ev): 0.5575 0.5770 1.6645 1.6789 1.8127 1.8924 2.2064 2.2761 2.9671 3.0565 3.1782 3.2112 6.1369 6.2329 8.0095 8.0941 9.9529 9.9835 12.3415 12.3771 13.4953 13.5441 14.8615 14.8683 15.6074 15.6139 k = 0.3482 0.4643-0.0000 ( 1192 PWs) bands (ev): 0.4827 0.5021 1.6751 1.6933 1.8072 1.8942 2.2132 2.2888 2.9227 3.0129 3.1511 3.1887 6.0723 6.1557 8.2170 8.2914 9.8861 9.9174 12.2785 12.3195 13.3972 13.4571 14.9747 14.9753 15.5077 15.5153 k = 0.3393 0.4643-0.0000 ( 1196 PWs) bands (ev): 0.4065 0.4258 1.6854 1.7080 1.8018 1.8966 2.2206 2.3023 2.8803 2.9702 3.1244 3.1661 6.0051 6.0782 8.4266 8.4933 9.8208 9.8528 12.2098 12.2555 13.2984 13.3663 15.1011 15.1040 15.4094 15.4186 k = 0.3304 0.4643-0.0000 ( 1190 PWs) bands (ev): 0.3294 0.3485 1.6950 1.7227 1.7965 1.8996 2.2284 2.3165 2.8396 2.9286 3.0980 3.1435 5.9362 6.0008 8.6361 8.6966 9.7593 9.7918 12.1371 12.1869 13.1990 13.2728 15.2414 15.2418 15.3143 15.3293 k = 0.3214 0.4643-0.0000 ( 1190 PWs) bands (ev): 0.2518 0.2705 1.7038 1.7372 1.7914 1.9032 2.2365 2.3314 2.8008 2.8880 3.0719 3.1212 5.8666 5.9238 8.8408 8.8961 9.7063 9.7392 12.0620 12.1155 13.0994 13.1775 15.2157 15.2214 15.4007 15.4125 k = 0.3125 0.4643-0.0000 ( 1190 PWs) bands (ev): 0.1740 0.1924 1.7116 1.7514 1.7864 1.9074 2.2449 2.3469 2.7639 2.8485 3.0463 3.0992 5.7966 5.8476 9.0299 9.0788 9.6744 9.7055 11.9858 12.0425 13.0000 13.0813 15.1228 15.1308 15.5679 15.5787 k = 0.3036 0.4643-0.0000 ( 1190 PWs) bands (ev): 0.0963 0.1143 1.7183 1.7647 1.7818 1.9120 2.2532 2.3630 2.7291 2.8102 3.0212 3.0777 5.7269 5.7724 9.1774 9.2129 9.6951 9.7168 11.9093 11.9693 12.9010 12.9849 15.0315 15.0403 15.7458 15.7564 k = 0.2946 0.4643-0.0000 ( 1190 PWs) bands (ev): 0.0192 0.0366 1.7238 1.7722 1.7823 1.9168 2.2613 2.3796 2.6967 2.7733 2.9967 3.0568 5.6577 5.6984 9.2467 9.2609 9.8054 9.8093 11.8334 11.8967 12.8028 12.8889 14.9421 14.9515 15.9327 15.9432 k = 0.2857 0.4643-0.0000 ( 1190 PWs) bands (ev): -0.0573 -0.0404 1.7281 1.7690 1.7926 1.9216 2.2688 2.3966 2.6670 2.7380 2.9727 3.0367 5.5895 5.6259 9.2427 9.2439 9.9769 9.9849 11.7588 11.8260 12.7058 12.7940 14.8549 14.8647 16.1277 16.1379 k = 0.2768 0.4643-0.0000 ( 1190 PWs) bands (ev): -0.1328 -0.1164 1.7312 1.7640 1.8034 1.9260 2.2756 2.4138 2.6405 2.7047 2.9494 3.0173 5.5224 5.5550 9.1961 9.2052 10.1828 10.1948 11.6862 11.7581 12.6103 12.7007 14.7698 14.7799 16.3299 16.3397 k = 0.2679 0.4643-0.0000 ( 1186 PWs) bands (ev): -0.2071 -0.1913 1.7330 1.7587 1.8128 1.9293 2.2814 2.4309 2.6178 2.6739 2.9266 2.9988 5.4568 5.4858 9.1386 9.1516 10.4049 10.4162 11.6164 11.6949 12.5166 12.6097 14.6870 14.6973 16.5387 16.5481 k = 0.2589 0.4643-0.0000 ( 1190 PWs) bands (ev): -0.2800 -0.2648 1.7339 1.7533 1.8204 1.9310 2.2862 2.4477 2.5993 2.6463 2.9045 2.9813 5.3927 5.4184 9.0765 9.0917 10.6327 10.6392 11.5510 11.6397 12.4253 12.5219 14.6065 14.6170 16.7534 16.7625 k = 0.2500 0.4643-0.0000 ( 1190 PWs) bands (ev): -0.3514 -0.3367 1.7337 1.7478 1.8258 1.9303 2.2900 2.4634 2.5854 2.6227 2.8830 2.9648 5.3303 5.3531 9.0125 9.0291 10.8533 10.8578 11.4941 11.5999 12.3370 12.4386 14.5284 14.5390 16.9738 16.9824 k = 0.2411 0.4643-0.0000 ( 1186 PWs) bands (ev): -0.4211 -0.4070 1.7328 1.7422 1.8286 1.9267 2.2933 2.4772 2.5760 2.6045 2.8621 2.9494 5.2697 5.2898 8.9482 8.9654 11.0366 11.0621 11.4596 11.5948 12.2532 12.3626 14.4528 14.4634 17.1993 17.2076 k = 0.2321 0.4643-0.0000 ( 1186 PWs) bands (ev): -0.4890 -0.4755 1.7311 1.7365 1.8285 1.9196 2.2966 2.4873 2.5709 2.5934 2.8419 2.9352 5.2112 5.2287 8.8841 8.9018 11.1488 11.1874 11.4992 11.6602 12.1779 12.2993 14.3796 14.3902 17.4298 17.4377 k = 0.2232 0.4643-0.0000 ( 1186 PWs) bands (ev): -0.5549 -0.5420 1.7288 1.7307 1.8254 1.9088 2.3005 2.4926 2.5695 2.5909 2.8225 2.9223 5.1546 5.1698 8.8209 8.8387 11.1758 11.1949 11.6367 11.7935 12.1273 12.2635 14.3090 14.3195 17.6648 17.6724 k = 0.2143 0.4643-0.0000 ( 1182 PWs) bands (ev): -0.6187 -0.6064 1.7248 1.7260 1.8191 1.8941 2.3056 2.4936 2.5711 2.5965 2.8038 2.9107 5.1002 5.1132 8.7588 8.7766 11.1555 11.1561 11.7638 11.8810 12.1770 12.2916 14.2411 14.2515 17.9043 17.9115 k = 0.2054 0.4643-0.0000 ( 1182 PWs) bands (ev): -0.6805 -0.6687 1.7188 1.7228 1.8097 1.8759 2.3122 2.4927 2.5749 2.6075 2.7861 2.9006 5.0480 5.0590 8.6981 8.7157 11.1065 11.1169 11.8078 11.8548 12.3658 12.4206 14.1758 14.1860 18.1479 18.1549 k = 0.1964 0.4643-0.0000 ( 1182 PWs) bands (ev): -0.7400 -0.7288 1.7125 1.7192 1.7975 1.8547 2.3203 2.4921 2.5802 2.6211 2.7697 2.8921 4.9980 5.0071 8.6390 8.6564 11.0544 11.0714 11.7870 11.7944 12.6022 12.6234 14.1134 14.1234 18.3955 18.4022 k = 0.1875 0.4643-0.0000 ( 1184 PWs) bands (ev): -0.7972 -0.7866 1.7058 1.7154 1.7829 1.8310 2.3297 2.4932 2.5864 2.6351 2.7551 2.8852 4.9502 4.9575 8.5816 8.5987 11.0024 11.0235 11.7280 11.7399 12.8533 12.8588 14.0540 14.0637 18.6470 18.6535 k = 0.1786 0.4643-0.0000 ( 1184 PWs) bands (ev): -0.8520 -0.8420 1.6985 1.7113 1.7667 1.8054 2.3402 2.4964 2.5930 2.6474 2.7437 2.8801 4.9047 4.9104 8.5262 8.5429 10.9515 10.9752 11.6615 11.6835 13.1078 13.1105 13.9982 14.0075 18.9022 18.9085 k = 0.1696 0.4643-0.0000 ( 1180 PWs) bands (ev): -0.9045 -0.8949 1.6900 1.7070 1.7499 1.7788 2.3514 2.5016 2.5997 2.6552 2.7378 2.8768 4.8615 4.8657 8.4728 8.4890 10.9021 10.9274 11.5968 11.6244 13.3618 13.3693 13.9473 13.9560 19.1610 19.1671 k = 0.1607 0.4643-0.0000 ( 1184 PWs) bands (ev): -0.9544 -0.9454 1.6795 1.7023 1.7337 1.7516 2.3630 2.5086 2.6061 2.6558 2.7396 2.8753 4.8205 4.8234 8.4215 8.4373 10.8545 10.8807 11.5346 11.5655 13.6103 13.6213 13.9084 13.9161 19.4233 19.4292 k = 0.1518 0.4643-0.0000 ( 1184 PWs) bands (ev): -1.0019 -0.9934 1.6661 1.6966 1.7196 1.7252 2.3747 2.5172 2.6121 2.6499 2.7485 2.8756 4.7819 4.7835 8.3725 8.3877 10.8089 10.8355 11.4754 11.5080 13.7755 13.7878 13.9575 13.9654 19.6889 19.6947 k = 0.1429 0.4643-0.0000 ( 1188 PWs) bands (ev): -1.0467 -1.0388 1.6495 1.6856 1.7042 1.7083 2.3861 2.5270 2.6177 2.6401 2.7616 2.8774 4.7455 4.7461 8.3258 8.3404 10.7654 10.7919 11.4195 11.4527 13.7674 13.7773 14.1833 14.1945 19.9577 19.9635 k = 0.1339 0.4643-0.0000 ( 1180 PWs) bands (ev): -1.0890 -1.0817 1.6304 1.6634 1.6949 1.6996 2.3970 2.5376 2.6228 2.6285 2.7766 2.8806 4.7110 4.7114 8.2815 8.2954 10.7240 10.7501 11.3669 11.4000 13.7308 13.7397 14.4399 14.4526 20.2298 20.2355 k = 0.1250 0.4643-0.0000 ( 1180 PWs) bands (ev): -1.1287 -1.1218 1.6099 1.6379 1.6896 1.6927 2.4073 2.5487 2.6165 2.6277 2.7923 2.8851 4.6784 4.6796 8.2398 8.2530 10.6849 10.7102 11.3178 11.3502 13.6923 13.7005 14.6997 14.7132 20.5048 20.5106 k = 0.1161 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.1657 -1.1594 1.5890 1.6127 1.6853 1.6869 2.4168 2.5596 2.6049 2.6323 2.8081 2.8904 4.6481 4.6500 8.2006 8.2130 10.6480 10.6723 11.2723 11.3036 13.6552 13.6628 14.9583 14.9723 20.7828 20.7886 k = 0.1071 0.4643-0.0000 ( 1178 PWs) bands (ev): -1.2001 -1.1942 1.5683 1.5884 1.6814 1.6820 2.4253 2.5690 2.5951 2.6368 2.8236 2.8963 4.6202 4.6227 8.1640 8.1757 10.6135 10.6366 11.2303 11.2602 13.6202 13.6274 15.2138 15.2280 21.0637 21.0696 k = 0.0982 0.4643-0.0000 ( 1178 PWs) bands (ev): -1.2317 -1.2264 1.5483 1.5654 1.6777 1.6778 2.4329 2.5710 2.5929 2.6413 2.8386 2.9026 4.5947 4.5976 8.1302 8.1410 10.5815 10.6032 11.1920 11.2201 13.5878 13.5944 15.4644 15.4788 21.3472 21.3533 k = 0.0893 0.4643-0.0000 ( 1174 PWs) bands (ev): -1.2607 -1.2558 1.5294 1.5438 1.6739 1.6744 2.4396 2.5635 2.6004 2.6457 2.8528 2.9090 4.5715 4.5747 8.0992 8.1091 10.5520 10.5721 11.1572 11.1834 13.5581 13.5641 15.7086 15.7229 21.6333 21.6397 k = 0.0804 0.4643-0.0000 ( 1174 PWs) bands (ev): -1.2869 -1.2825 1.5117 1.5239 1.6705 1.6713 2.4455 2.5538 2.6101 2.6501 2.8662 2.9152 4.5506 4.5539 8.0710 8.0800 10.5251 10.5435 11.1260 11.1500 13.5310 13.5365 15.9443 15.9583 21.9217 21.9285 k = 0.0714 0.4643-0.0000 ( 1184 PWs) bands (ev): -1.3103 -1.3065 1.4955 1.5058 1.6675 1.6685 2.4506 2.5440 2.6200 2.6543 2.8787 2.9211 4.5321 4.5354 8.0456 8.0538 10.5008 10.5174 11.0984 11.1200 13.5068 13.5117 16.1693 16.1829 22.2121 22.2195 k = 0.0625 0.4643-0.0000 ( 1180 PWs) bands (ev): -1.3310 -1.3276 1.4809 1.4895 1.6649 1.6660 2.4553 2.5346 2.6292 2.6582 2.8902 2.9264 4.5158 4.5190 8.0232 8.0304 10.4793 10.4940 11.0743 11.0935 13.4854 13.4898 16.3810 16.3939 22.5040 22.5122 k = 0.0536 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.3489 -1.3461 1.4681 1.4752 1.6627 1.6637 2.4595 2.5257 2.6378 2.6618 2.9005 2.9310 4.5018 4.5047 8.0038 8.0100 10.4607 10.4734 11.0537 11.0703 13.4669 13.4706 16.5763 16.5882 22.7959 22.8054 k = 0.0446 0.4643-0.0000 ( 1172 PWs) bands (ev): -1.3641 -1.3617 1.4571 1.4628 1.6608 1.6618 2.4635 2.5174 2.6454 2.6648 2.9098 2.9348 4.4900 4.4926 7.9874 7.9926 10.4450 10.4556 11.0366 11.0505 13.4513 13.4544 16.7518 16.7624 23.0827 23.0943 k = 0.0357 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.3764 -1.3745 1.4482 1.4526 1.6593 1.6601 2.4674 2.5097 2.6521 2.6672 2.9178 2.9376 4.4804 4.4827 7.9740 7.9782 10.4322 10.4408 11.0229 11.0341 13.4385 13.4410 16.9035 16.9125 23.2914 23.2921 k = 0.0268 0.4643-0.0000 ( 1178 PWs) bands (ev): -1.3860 -1.3846 1.4412 1.4445 1.6582 1.6588 2.4714 2.5027 2.6577 2.6688 2.9246 2.9393 4.4731 4.4749 7.9637 7.9669 10.4224 10.4289 11.0126 11.0210 13.4286 13.4305 17.0275 17.0346 23.2119 23.2258 k = 0.0179 0.4643-0.0000 ( 1180 PWs) bands (ev): -1.3928 -1.3918 1.4364 1.4385 1.6574 1.6579 2.4756 2.4962 2.6622 2.6695 2.9302 2.9399 4.4680 4.4692 7.9565 7.9586 10.4158 10.4201 11.0057 11.0113 13.4217 13.4229 17.1198 17.1248 23.1282 23.1387 k = 0.0089 0.4643-0.0000 ( 1180 PWs) bands (ev): -1.3967 -1.3963 1.4337 1.4347 1.6570 1.6572 2.4801 2.4904 2.6656 2.6692 2.9345 2.9393 4.4650 4.4656 7.9523 7.9534 10.4122 10.4143 11.0021 11.0049 13.4176 13.4182 17.1773 17.1799 23.0760 23.0814 k = 0.0000 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.3979 -1.3979 1.4331 1.4331 1.6570 1.6570 2.4850 2.4850 2.6680 2.6680 2.9375 2.9375 4.4643 4.4643 7.9513 7.9513 10.4117 10.4117 11.0018 11.0018 13.4165 13.4165 17.1976 17.1976 23.0600 23.0600 k = 0.0000 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.3979 -1.3979 1.4331 1.4331 1.6570 1.6570 2.4850 2.4850 2.6680 2.6680 2.9375 2.9375 4.4643 4.4643 7.9513 7.9513 10.4117 10.4117 11.0018 11.0018 13.4165 13.4165 17.1976 17.1976 23.0600 23.0600 k = 0.0000 0.4553-0.0000 ( 1176 PWs) bands (ev): -1.4016 -1.4016 1.4330 1.4330 1.6573 1.6573 2.4856 2.4856 2.6681 2.6681 2.9378 2.9378 4.4695 4.4695 7.9474 7.9474 10.3633 10.3633 11.0540 11.0540 13.4228 13.4228 17.1951 17.1951 23.0503 23.0503 k = 0.0000 0.4464-0.0000 ( 1176 PWs) bands (ev): -1.4127 -1.4127 1.4328 1.4328 1.6584 1.6584 2.4874 2.4874 2.6685 2.6685 2.9385 2.9385 4.4851 4.4851 7.9358 7.9358 10.2496 10.2496 11.1790 11.1790 13.4419 13.4419 17.1876 17.1876 23.0221 23.0221 k = 0.0000 0.4375-0.0000 ( 1180 PWs) bands (ev): -1.4309 -1.4309 1.4323 1.4323 1.6602 1.6602 2.4903 2.4903 2.6692 2.6692 2.9397 2.9397 4.5112 4.5112 7.9165 7.9165 10.1099 10.1099 11.3375 11.3375 13.4735 13.4735 17.1752 17.1752 22.9778 22.9778 k = 0.0000 0.4286-0.0000 ( 1184 PWs) bands (ev): -1.4560 -1.4560 1.4317 1.4317 1.6627 1.6627 2.4939 2.4939 2.6702 2.6702 2.9412 2.9412 4.5477 4.5477 7.8900 7.8900 9.9613 9.9613 11.5125 11.5125 13.5173 13.5173 17.1580 17.1580 22.9208 22.9208 k = 0.0000 0.4196-0.0000 ( 1184 PWs) bands (ev): -1.4876 -1.4876 1.4309 1.4309 1.6659 1.6659 2.4980 2.4980 2.6713 2.6713 2.9431 2.9431 4.5947 4.5947 7.8565 7.8565 9.8105 9.8105 11.6971 11.6971 13.5730 13.5730 17.1362 17.1362 22.8541 22.8541 k = 0.0000 0.4107-0.0000 ( 1176 PWs) bands (ev): -1.5252 -1.5252 1.4299 1.4299 1.6698 1.6698 2.5023 2.5023 2.6726 2.6726 2.9453 2.9453 4.6520 4.6520 7.8166 7.8166 9.6605 9.6605 11.8885 11.8885 13.6400 13.6400 17.1100 17.1100 22.7805 22.7805 k = 0.0000 0.4018-0.0000 ( 1180 PWs) bands (ev): -1.5684 -1.5684 1.4287 1.4287 1.6744 1.6744 2.5064 2.5064 2.6740 2.6740 2.9476 2.9476 4.7196 4.7196 7.7707 7.7707 9.5127 9.5127 12.0853 12.0853 13.7180 13.7180 17.0797 17.0797 22.7020 22.7020 k = 0.0000 0.3928-0.0000 ( 1176 PWs) bands (ev): -1.6165 -1.6165 1.4274 1.4274 1.6797 1.6797 2.5101 2.5101 2.6756 2.6756 2.9501 2.9501 4.7972 4.7972 7.7193 7.7193 9.3681 9.3681 12.2865 12.2865 13.8064 13.8064 17.0454 17.0454 22.6204 22.6204 k = 0.0000 0.3839-0.0000 ( 1174 PWs) bands (ev): -1.6689 -1.6689 1.4258 1.4258 1.6856 1.6856 2.5129 2.5129 2.6772 2.6772 2.9526 2.9526 4.8847 4.8847 7.6631 7.6631 9.2270 9.2270 12.4917 12.4917 13.9045 13.9045 17.0076 17.0076 22.5369 22.5369 k = 0.0000 0.3750-0.0000 ( 1174 PWs) bands (ev): -1.7253 -1.7253 1.4241 1.4241 1.6921 1.6921 2.5149 2.5149 2.6789 2.6789 2.9551 2.9551 4.9815 4.9815 7.6026 7.6026 9.0899 9.0899 12.7005 12.7005 14.0119 14.0119 16.9665 16.9665 22.4523 22.4523 k = 0.0000 0.3661-0.0000 ( 1174 PWs) bands (ev): -1.7848 -1.7848 1.4222 1.4222 1.6992 1.6992 2.5157 2.5157 2.6807 2.6807 2.9575 2.9575 5.0873 5.0873 7.5384 7.5384 8.9572 8.9572 12.9126 12.9126 14.1280 14.1280 16.9225 16.9225 22.3673 22.3673 k = 0.0000 0.3571-0.0000 ( 1177 PWs) bands (ev): -1.8472 -1.8472 1.4201 1.4201 1.7068 1.7068 2.5152 2.5152 2.6825 2.6825 2.9599 2.9599 5.2015 5.2015 7.4710 7.4710 8.8291 8.8291 13.1277 13.1277 14.2522 14.2522 16.8759 16.8759 22.2825 22.2825 k = 0.0000 0.3482-0.0000 ( 1181 PWs) bands (ev): -1.9117 -1.9117 1.4178 1.4178 1.7150 1.7150 2.5134 2.5134 2.6845 2.6845 2.9622 2.9622 5.3234 5.3234 7.4009 7.4009 8.7061 8.7061 13.3458 13.3458 14.3840 14.3840 16.8271 16.8271 22.1983 22.1983 k = 0.0000 0.3393-0.0000 ( 1181 PWs) bands (ev): -1.9781 -1.9781 1.4153 1.4153 1.7235 1.7235 2.5103 2.5103 2.6866 2.6866 2.9645 2.9645 5.4522 5.4522 7.3287 7.3287 8.5883 8.5883 13.5665 13.5665 14.5229 14.5229 16.7764 16.7764 22.1149 22.1149 k = 0.0000 0.3303-0.0000 ( 1177 PWs) bands (ev): -2.0458 -2.0458 1.4127 1.4127 1.7324 1.7324 2.5058 2.5058 2.6889 2.6889 2.9667 2.9667 5.5871 5.5871 7.2550 7.2550 8.4765 8.4765 13.7896 13.7896 14.6685 14.6685 16.7244 16.7244 22.0325 22.0325 k = 0.0000 0.3214-0.0000 ( 1177 PWs) bands (ev): -2.1144 -2.1144 1.4099 1.4099 1.7415 1.7415 2.5001 2.5001 2.6913 2.6913 2.9690 2.9690 5.7268 5.7268 7.1801 7.1801 8.3710 8.3710 14.0149 14.0149 14.8203 14.8203 16.6713 16.6713 21.9514 21.9514 k = 0.0000 0.3125-0.0000 ( 1179 PWs) bands (ev): -2.1836 -2.1836 1.4070 1.4070 1.7509 1.7509 2.4931 2.4931 2.6937 2.6937 2.9714 2.9714 5.8700 5.8700 7.1049 7.1049 8.2728 8.2728 14.2421 14.2421 14.9778 14.9778 16.6177 16.6177 21.8715 21.8715 k = 0.0000 0.3036-0.0000 ( 1179 PWs) bands (ev): -2.2530 -2.2530 1.4039 1.4039 1.7603 1.7603 2.4852 2.4852 2.6963 2.6963 2.9738 2.9738 6.0145 6.0145 7.0299 7.0299 8.1831 8.1831 14.4709 14.4709 15.1407 15.1407 16.5641 16.5641 21.7930 21.7930 k = 0.0000 0.2946-0.0000 ( 1179 PWs) bands (ev): -2.3224 -2.3224 1.4007 1.4007 1.7696 1.7696 2.4763 2.4763 2.6989 2.6989 2.9765 2.9765 6.1575 6.1575 6.9564 6.9564 8.1036 8.1036 14.7007 14.7007 15.3082 15.3082 16.5113 16.5113 21.7159 21.7159 k = 0.0000 0.2857-0.0000 ( 1183 PWs) bands (ev): -2.3914 -2.3914 1.3973 1.3973 1.7788 1.7788 2.4668 2.4668 2.7016 2.7016 2.9794 2.9794 6.2940 6.2940 6.8865 6.8865 8.0368 8.0368 14.9309 14.9309 15.4799 15.4799 16.4604 16.4604 21.6403 21.6403 k = 0.0000 0.2768-0.0000 ( 1179 PWs) bands (ev): -2.4599 -2.4599 1.3938 1.3938 1.7876 1.7876 2.4569 2.4569 2.7042 2.7042 2.9825 2.9825 6.4149 6.4149 6.8255 6.8255 7.9867 7.9867 15.1601 15.1601 15.6546 15.6546 16.4136 16.4136 21.5661 21.5661 k = 0.0000 0.2678-0.0000 ( 1183 PWs) bands (ev): -2.5275 -2.5275 1.3902 1.3902 1.7960 1.7960 2.4468 2.4468 2.7069 2.7069 2.9859 2.9859 6.5000 6.5000 6.7881 6.7881 7.9585 7.9585 15.3861 15.3861 15.8299 15.8299 16.3753 16.3753 21.4932 21.4932 k = 0.0000 0.2589-0.0000 ( 1183 PWs) bands (ev): -2.5942 -2.5942 1.3865 1.3865 1.8037 1.8037 2.4367 2.4367 2.7094 2.7094 2.9896 2.9896 6.5196 6.5196 6.7970 6.7970 7.9592 7.9592 15.6030 15.6030 15.9994 15.9994 16.3574 16.3574 21.4215 21.4215 k = 0.0000 0.2500-0.0000 ( 1183 PWs) bands (ev): -2.6597 -2.6597 1.3827 1.3827 1.8105 1.8105 2.4270 2.4270 2.7119 2.7119 2.9936 2.9936 6.4832 6.4832 6.8358 6.8358 7.9955 7.9955 15.7945 15.7945 16.1464 16.1464 16.3925 16.3925 21.3509 21.3509 k = 0.0000 0.2411-0.0000 ( 1183 PWs) bands (ev): -2.7238 -2.7238 1.3788 1.3788 1.8163 1.8163 2.4180 2.4180 2.7142 2.7142 2.9980 2.9980 6.4242 6.4242 6.8676 6.8676 8.0707 8.0707 15.9187 15.9187 16.2780 16.2780 16.5149 16.5149 21.2812 21.2812 k = 0.0000 0.2321-0.0000 ( 1191 PWs) bands (ev): -2.7865 -2.7865 1.3748 1.3748 1.8209 1.8209 2.4098 2.4098 2.7164 2.7164 3.0026 3.0026 6.3577 6.3577 6.8792 6.8792 8.1828 8.1828 15.9524 15.9524 16.4502 16.4502 16.6916 16.6916 21.2122 21.2122 k = 0.0000 0.2232-0.0000 ( 1187 PWs) bands (ev): -2.8475 -2.8475 1.3708 1.3708 1.8242 1.8242 2.4028 2.4028 2.7185 2.7185 3.0075 3.0075 6.2888 6.2888 6.8716 6.8716 8.3256 8.3256 15.9368 15.9368 16.6540 16.6540 16.8895 16.8895 21.1435 21.1435 k = 0.0000 0.2143-0.0000 ( 1183 PWs) bands (ev): -2.9068 -2.9068 1.3667 1.3667 1.8259 1.8259 2.3972 2.3972 2.7205 2.7205 3.0127 3.0127 6.2194 6.2194 6.8498 6.8498 8.4919 8.4919 15.9030 15.9030 16.8682 16.8682 17.0981 17.0981 21.0747 21.0747 k = 0.0000 0.2053-0.0000 ( 1187 PWs) bands (ev): -2.9643 -2.9643 1.3625 1.3625 1.8260 1.8260 2.3932 2.3932 2.7223 2.7223 3.0182 3.0182 6.1504 6.1504 6.8187 6.8187 8.6755 8.6755 15.8623 15.8623 17.0842 17.0842 17.3137 17.3137 21.0052 21.0052 k = 0.0000 0.1964-0.0000 ( 1187 PWs) bands (ev): -3.0199 -3.0199 1.3583 1.3583 1.8244 1.8244 2.3908 2.3908 2.7240 2.7240 3.0239 3.0239 6.0825 6.0825 6.7821 6.7821 8.8722 8.8722 15.8190 15.8190 17.2990 17.2990 17.5339 17.5339 20.9344 20.9344 k = 0.0000 0.1875-0.0000 ( 1189 PWs) bands (ev): -3.0734 -3.0734 1.3541 1.3541 1.8212 1.8212 2.3902 2.3902 2.7255 2.7255 3.0297 3.0297 6.0160 6.0160 6.7425 6.7425 9.0786 9.0786 15.7749 15.7749 17.5114 17.5114 17.7562 17.7562 20.8613 20.8613 k = 0.0000 0.1786-0.0000 ( 1193 PWs) bands (ev): -3.1248 -3.1248 1.3499 1.3499 1.8165 1.8165 2.3914 2.3914 2.7270 2.7270 3.0357 3.0357 5.9512 5.9512 6.7017 6.7017 9.2926 9.2926 15.7312 15.7312 17.7210 17.7210 17.9782 17.9782 20.7851 20.7851 k = 0.0000 0.1696-0.0000 ( 1191 PWs) bands (ev): -3.1741 -3.1741 1.3457 1.3457 1.8103 1.8103 2.3942 2.3942 2.7283 2.7283 3.0418 3.0418 5.8881 5.8881 6.6608 6.6608 9.5124 9.5124 15.6884 15.6884 17.9271 17.9271 18.1972 18.1972 20.7047 20.7047 k = 0.0000 0.1607-0.0000 ( 1193 PWs) bands (ev): -3.2211 -3.2211 1.3415 1.3415 1.8028 1.8028 2.3985 2.3985 2.7295 2.7295 3.0479 3.0479 5.8272 5.8272 6.6206 6.6206 9.7369 9.7369 15.6469 15.6469 18.1286 18.1286 18.4101 18.4101 20.6196 20.6196 k = 0.0000 0.1518-0.0000 ( 1193 PWs) bands (ev): -3.2659 -3.2659 1.3373 1.3373 1.7942 1.7942 2.4042 2.4042 2.7306 2.7306 3.0540 3.0540 5.7684 5.7684 6.5816 6.5816 9.9649 9.9649 15.6071 15.6071 18.3235 18.3235 18.6133 18.6133 20.5299 20.5299 k = 0.0000 0.1429-0.0000 ( 1199 PWs) bands (ev): -3.3083 -3.3083 1.3332 1.3332 1.7849 1.7849 2.4110 2.4110 2.7316 2.7316 3.0602 3.0602 5.7120 5.7120 6.5443 6.5443 10.1955 10.1955 15.5692 15.5692 18.5077 18.5077 18.8029 18.8029 20.4378 20.4378 k = 0.0000 0.1339-0.0000 ( 1207 PWs) bands (ev): -3.3483 -3.3483 1.3291 1.3291 1.7749 1.7749 2.4187 2.4187 2.7326 2.7326 3.0662 3.0662 5.6581 5.6581 6.5088 6.5088 10.4279 10.4279 15.5333 15.5333 18.6735 18.6735 18.9755 18.9755 20.3492 20.3492 k = 0.0000 0.1250-0.0000 ( 1203 PWs) bands (ev): -3.3860 -3.3860 1.3251 1.3251 1.7646 1.7646 2.4272 2.4272 2.7335 2.7335 3.0721 3.0721 5.6068 5.6068 6.4754 6.4754 10.6612 10.6612 15.4996 15.4996 18.8055 18.8055 19.1313 19.1313 20.2743 20.2743 k = 0.0000 0.1161-0.0000 ( 1199 PWs) bands (ev): -3.4211 -3.4211 1.3212 1.3212 1.7541 1.7541 2.4361 2.4361 2.7344 2.7344 3.0779 3.0779 5.5583 5.5583 6.4441 6.4441 10.8943 10.8943 15.4683 15.4683 18.8792 18.8792 19.2775 19.2775 20.2262 20.2262 k = 0.0000 0.1071-0.0000 ( 1201 PWs) bands (ev): -3.4538 -3.4538 1.3175 1.3175 1.7437 1.7437 2.4453 2.4453 2.7352 2.7352 3.0834 3.0834 5.5127 5.5127 6.4150 6.4150 11.1264 11.1264 15.4396 15.4396 18.8761 18.8761 19.4224 19.4224 20.2130 20.2130 k = 0.0000 0.0982-0.0000 ( 1197 PWs) bands (ev): -3.4840 -3.4840 1.3139 1.3139 1.7335 1.7335 2.4546 2.4546 2.7360 2.7360 3.0887 3.0887 5.4701 5.4701 6.3882 6.3882 11.3561 11.3561 15.4135 15.4135 18.8000 18.8000 19.5657 19.5657 20.2299 20.2299 k = 0.0000 0.0893-0.0000 ( 1197 PWs) bands (ev): -3.5116 -3.5116 1.3105 1.3105 1.7238 1.7238 2.4637 2.4637 2.7368 2.7368 3.0937 3.0937 5.4308 5.4308 6.3638 6.3638 11.5820 11.5820 15.3903 15.3903 18.6708 18.6708 19.7025 19.7025 20.2631 20.2631 k = 0.0000 0.0804-0.0000 ( 1199 PWs) bands (ev): -3.5367 -3.5367 1.3073 1.3073 1.7146 1.7146 2.4724 2.4724 2.7375 2.7375 3.0984 3.0984 5.3947 5.3947 6.3416 6.3416 11.8024 11.8024 15.3701 15.3701 18.5087 18.5087 19.8281 19.8281 20.3003 20.3003 k = 0.0000 0.0714-0.0000 ( 1203 PWs) bands (ev): -3.5591 -3.5591 1.3043 1.3043 1.7061 1.7061 2.4807 2.4807 2.7382 2.7382 3.1027 3.1027 5.3620 5.3620 6.3218 6.3218 12.0152 12.0152 15.3530 15.3530 18.3292 18.3292 19.9394 19.9394 20.3341 20.3341 k = 0.0000 0.0625-0.0000 ( 1203 PWs) bands (ev): -3.5790 -3.5790 1.3016 1.3016 1.6983 1.6983 2.4883 2.4883 2.7389 2.7389 3.1066 3.1066 5.3328 5.3328 6.3044 6.3044 12.2178 12.2178 15.3391 15.3391 18.1437 18.1437 20.0349 20.0349 20.3618 20.3618 k = 0.0000 0.0536-0.0000 ( 1203 PWs) bands (ev): -3.5962 -3.5962 1.2992 1.2992 1.6915 1.6915 2.4952 2.4952 2.7395 2.7395 3.1100 3.1100 5.3073 5.3073 6.2892 6.2892 12.4071 12.4071 15.3286 15.3286 17.9610 17.9610 20.1140 20.1140 20.3831 20.3831 k = 0.0000 0.0446-0.0000 ( 1207 PWs) bands (ev): -3.6109 -3.6109 1.2971 1.2971 1.6856 1.6856 2.5012 2.5012 2.7400 2.7400 3.1130 3.1130 5.2856 5.2856 6.2765 6.2765 12.5793 12.5793 15.3213 15.3213 17.7885 17.7885 20.1774 20.1774 20.3990 20.3990 k = 0.0000 0.0357-0.0000 ( 1207 PWs) bands (ev): -3.6228 -3.6228 1.2953 1.2953 1.6807 1.6807 2.5062 2.5062 2.7405 2.7405 3.1155 3.1155 5.2676 5.2676 6.2660 6.2660 12.7301 12.7301 15.3170 15.3170 17.6332 17.6332 20.2263 20.2263 20.4105 20.4105 k = 0.0000 0.0268-0.0000 ( 1203 PWs) bands (ev): -3.6322 -3.6322 1.2940 1.2940 1.6768 1.6768 2.5102 2.5102 2.7409 2.7409 3.1174 3.1174 5.2536 5.2536 6.2579 6.2579 12.8546 12.8546 15.3152 15.3152 17.5023 17.5023 20.2621 20.2621 20.4187 20.4187 k = 0.0000 0.0179-0.0000 ( 1211 PWs) bands (ev): -3.6388 -3.6388 1.2930 1.2930 1.6740 1.6740 2.5131 2.5131 2.7412 2.7412 3.1189 3.1189 5.2435 5.2435 6.2521 6.2521 12.9481 12.9481 15.3151 15.3151 17.4024 17.4024 20.2863 20.2863 20.4242 20.4242 k = 0.0000 0.0089-0.0000 ( 1211 PWs) bands (ev): -3.6428 -3.6428 1.2923 1.2923 1.6723 1.6723 2.5148 2.5148 2.7414 2.7414 3.1197 3.1197 5.2375 5.2375 6.2486 6.2486 13.0062 13.0062 15.3156 15.3156 17.3396 17.3396 20.3002 20.3002 20.4274 20.4274 k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -3.6441 -3.6441 1.2921 1.2921 1.6718 1.6718 2.5154 2.5154 2.7414 2.7414 3.1200 3.1200 5.2354 5.2354 6.2475 6.2475 13.0259 13.0259 15.3159 15.3159 17.3181 17.3181 20.3047 20.3047 20.4284 20.4284 k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -3.6441 -3.6441 1.2921 1.2921 1.6718 1.6718 2.5154 2.5154 2.7414 2.7414 3.1200 3.1200 5.2354 5.2354 6.2475 6.2475 13.0259 13.0259 15.3159 15.3159 17.3181 17.3181 20.3047 20.3047 20.4284 20.4284 k = 0.0000 0.0000 0.0089 ( 1209 PWs) bands (ev): -3.6436 -3.6435 1.2920 1.2922 1.6695 1.6738 2.5135 2.5174 2.7414 2.7414 3.1198 3.1201 5.1979 5.2129 6.2734 6.2903 13.0237 13.0274 15.3163 15.3168 17.3189 17.3202 20.2387 20.3082 20.4096 20.4692 k = 0.0000 0.0000 0.0178 ( 1203 PWs) bands (ev): -3.6418 -3.6416 1.2917 1.2922 1.6668 1.6755 2.5116 2.5193 2.7413 2.7414 3.1196 3.1202 5.1123 5.1380 6.3605 6.3898 13.0208 13.0283 15.3179 15.3190 17.3225 17.3252 20.1429 20.2292 20.4331 20.5001 k = 0.0000 0.0000 0.0267 ( 1203 PWs) bands (ev): -3.6388 -3.6385 1.2914 1.2921 1.6639 1.6768 2.5098 2.5214 2.7411 2.7413 3.1194 3.1203 4.9978 5.0294 6.4899 6.5270 13.0172 13.0286 15.3208 15.3225 17.3289 17.3330 20.0212 20.1117 20.4570 20.5202 k = 0.0000 0.0000 0.0356 ( 1203 PWs) bands (ev): -3.6346 -3.6342 1.2910 1.2920 1.6606 1.6778 2.5080 2.5234 2.7409 2.7412 3.1192 3.1204 4.8683 4.9029 6.6459 6.6880 13.0129 13.0282 15.3248 15.3271 17.3381 17.3436 19.8750 19.9662 20.4743 20.5319 k = 0.0000 0.0000 0.0445 ( 1203 PWs) bands (ev): -3.6292 -3.6288 1.2906 1.2917 1.6571 1.6784 2.5062 2.5256 2.7406 2.7410 3.1189 3.1204 4.7320 4.7679 6.8191 6.8646 13.0080 13.0273 15.3300 15.3329 17.3499 17.3571 19.7061 19.7960 20.4857 20.5376 k = 0.0000 0.0000 0.0534 ( 1211 PWs) bands (ev): -3.6227 -3.6222 1.2900 1.2914 1.6533 1.6787 2.5044 2.5277 2.7403 2.7408 3.1186 3.1204 4.5936 4.6298 7.0042 7.0521 13.0024 13.0259 15.3364 15.3399 17.3642 17.3733 19.5170 19.6043 20.4925 20.5391 k = 0.0000 0.0000 0.0624 ( 1209 PWs) bands (ev): -3.6152 -3.6146 1.2894 1.2909 1.6491 1.6785 2.5026 2.5300 2.7399 2.7406 3.1183 3.1204 4.4558 4.4915 7.1982 7.2481 12.9962 13.0240 15.3437 15.3479 17.3809 17.3921 19.3107 19.3942 20.4958 20.5374 k = 0.0000 0.0000 0.0713 ( 1205 PWs) bands (ev): -3.6067 -3.6060 1.2887 1.2904 1.6447 1.6778 2.5009 2.5323 2.7395 2.7403 3.1179 3.1204 4.3203 4.3551 7.3991 7.4508 12.9894 13.0216 15.3520 15.3569 17.3995 17.4135 19.0900 19.1687 20.4962 20.5335 k = 0.0000 0.0000 0.0802 ( 1205 PWs) bands (ev): -3.5973 -3.5966 1.2879 1.2897 1.6399 1.6767 2.4991 2.5347 2.7390 2.7400 3.1175 3.1203 4.1881 4.2216 7.6060 7.6593 12.9821 13.0190 15.3611 15.3667 17.4197 17.4372 18.8578 18.9306 20.4944 20.5277 k = 0.0000 0.0000 0.0891 ( 1207 PWs) bands (ev): -3.5870 -3.5862 1.2869 1.2889 1.6349 1.6750 2.4974 2.5372 2.7385 2.7397 3.1170 3.1201 4.0600 4.0920 7.8179 7.8728 12.9742 13.0161 15.3709 15.3773 17.4405 17.4629 18.6173 18.6826 20.4906 20.5205 k = 0.0000 0.0000 0.0980 ( 1207 PWs) bands (ev): -3.5760 -3.5752 1.2859 1.2880 1.6295 1.6728 2.4958 2.5397 2.7380 2.7394 3.1164 3.1199 3.9368 3.9668 8.0343 8.0908 12.9659 13.0130 15.3813 15.3886 17.4599 17.4900 18.3722 18.4272 20.4852 20.5119 k = 0.0000 0.0000 0.1069 ( 1203 PWs) bands (ev): -3.5644 -3.5635 1.2848 1.2870 1.6239 1.6700 2.4941 2.5424 2.7374 2.7391 3.1157 3.1196 3.8187 3.8465 8.2547 8.3129 12.9570 13.0099 15.3920 15.4004 17.4727 17.5168 18.1294 18.1677 20.4783 20.5022 k = 0.0000 0.0000 0.1158 ( 1203 PWs) bands (ev): -3.5522 -3.5513 1.2836 1.2858 1.6180 1.6665 2.4925 2.5451 2.7367 2.7387 3.1148 3.1192 3.7064 3.7315 8.4789 8.5389 12.9478 13.0067 15.4029 15.4125 17.4619 17.5370 17.9071 17.9120 20.4700 20.4914 k = 0.0000 0.0000 0.1247 ( 1207 PWs) bands (ev): -3.5397 -3.5387 1.2822 1.2844 1.6119 1.6624 2.4910 2.5480 2.7360 2.7384 3.1136 3.1186 3.6001 3.6224 8.7065 8.7685 12.9382 13.0037 15.4136 15.4247 17.3757 17.5025 17.7092 17.7583 20.4603 20.4795 k = 0.0000 0.0000 0.1336 ( 1203 PWs) bands (ev): -3.5268 -3.5259 1.2807 1.2829 1.6057 1.6576 2.4896 2.5510 2.7353 2.7381 3.1120 3.1178 3.5002 3.5193 8.9372 9.0014 12.9282 13.0010 15.4238 15.4367 17.1820 17.3000 17.6736 17.7163 20.4492 20.4664 k = 0.0000 0.0000 0.1425 ( 1206 PWs) bands (ev): -3.5139 -3.5129 1.2791 1.2812 1.5993 1.6521 2.4884 2.5541 2.7345 2.7378 3.1096 3.1165 3.4071 3.4231 9.1707 9.2375 12.9179 12.9986 15.4329 15.4483 16.9372 17.0371 17.6987 17.7257 20.4365 20.4520 k = 0.0000 0.0000 0.1514 ( 1210 PWs) bands (ev): -3.5009 -3.4999 1.2773 1.2793 1.5929 1.6460 2.4873 2.5573 2.7337 2.7376 3.1055 3.1143 3.3214 3.3346 9.4068 9.4764 12.9072 12.9968 15.4397 15.4587 16.6769 16.7649 17.7342 17.7522 20.4222 20.4361 k = 0.0000 0.0000 0.1603 ( 1210 PWs) bands (ev): -3.4881 -3.4871 1.2755 1.2772 1.5864 1.6392 2.4865 2.5606 2.7328 2.7373 3.0975 3.1098 3.2448 3.2561 9.6451 9.7181 12.8962 12.9957 15.4424 15.4671 16.4135 16.4916 17.7733 17.7858 20.4059 20.4185 k = 0.0000 0.0000 0.1692 ( 1206 PWs) bands (ev): -3.4755 -3.4746 1.2735 1.2751 1.5802 1.6318 2.4861 2.5640 2.7318 2.7371 3.0797 3.0977 3.1824 3.1941 9.8852 9.9621 12.8848 12.9954 15.4363 15.4710 16.1553 16.2217 17.8141 17.8228 20.3873 20.3990 k = 0.0000 0.0000 0.1782 ( 1206 PWs) bands (ev): -3.4635 -3.4626 1.2714 1.2727 1.5742 1.6240 2.4861 2.5674 2.7307 2.7370 3.0428 3.0650 3.1472 3.1576 10.1267 10.2083 12.8728 12.9963 15.4082 15.4636 15.9172 15.9634 17.8554 17.8614 20.3663 20.3771 k = 0.0000 0.0000 0.1871 ( 1202 PWs) bands (ev): -3.4520 -3.4511 1.2693 1.2703 1.5685 1.6158 2.4868 2.5708 2.7295 2.7369 2.9917 3.0158 3.1352 3.1420 10.3690 10.4562 12.8603 12.9986 15.3224 15.4180 15.7361 15.7443 17.8966 17.9006 20.3425 20.3528 k = 0.0000 0.0000 0.1960 ( 1198 PWs) bands (ev): -3.4412 -3.4404 1.2671 1.2679 1.5634 1.6073 2.4881 2.5740 2.7281 2.7369 2.9389 2.9654 3.1307 3.1351 10.6114 10.7053 12.8469 13.0026 15.1453 15.2702 15.6295 15.6467 17.9368 17.9393 20.3161 20.3260 k = 0.0000 0.0000 0.2049 ( 1198 PWs) bands (ev): -3.4313 -3.4306 1.2649 1.2655 1.5588 1.5989 2.4904 2.5768 2.7264 2.7369 2.8900 2.9189 3.1285 3.1315 10.8526 10.9547 12.8326 13.0087 14.9114 15.0416 15.5986 15.6152 17.9753 17.9767 20.2874 20.2970 k = 0.0000 0.0000 0.2138 ( 1198 PWs) bands (ev): -3.4224 -3.4218 1.2628 1.2631 1.5551 1.5905 2.4939 2.5788 2.7242 2.7371 2.8473 2.8775 3.1273 3.1294 11.0913 11.2033 12.8172 13.0173 14.6589 14.7931 15.5925 15.6049 18.0114 18.0119 20.2574 20.2666 k = 0.0000 0.0000 0.2227 ( 1196 PWs) bands (ev): -3.4147 -3.4142 1.2608 1.2610 1.5522 1.5826 2.4985 2.5793 2.7216 2.7374 2.8122 2.8412 3.1266 3.1280 11.3251 11.4489 12.8006 13.0288 14.4035 14.5447 15.5932 15.6022 18.0439 18.0440 20.2277 20.2362 k = 0.0000 0.0000 0.2316 ( 1200 PWs) bands (ev): -3.4082 -3.4078 1.2591 1.2591 1.5503 1.5751 2.5047 2.5777 2.7185 2.7377 2.7857 2.8099 3.1261 3.1271 11.5505 11.6873 12.7837 13.0427 14.1539 14.3046 15.5959 15.6025 18.0719 18.0723 20.1999 20.2074 k = 0.0000 0.0000 0.2405 ( 1196 PWs) bands (ev): -3.4030 -3.4027 1.2575 1.2576 1.5495 1.5684 2.5123 2.5731 2.7158 2.7381 2.7678 2.7836 3.1258 3.1264 11.7620 11.9096 12.7702 13.0561 13.9206 14.0798 15.5990 15.6036 18.0949 18.0954 20.1762 20.1823 k = 0.0000 0.0000 0.2494 ( 1196 PWs) bands (ev): -3.3993 -3.3990 1.2564 1.2564 1.5498 1.5625 2.5215 2.5652 2.7154 2.7380 2.7568 2.7627 3.1256 3.1260 11.9508 12.0948 12.7726 13.0572 13.7251 13.8794 15.6018 15.6046 18.1121 18.1125 20.1581 20.1624 k = 0.0000 0.0000 0.2583 ( 1196 PWs) bands (ev): -3.3970 -3.3968 1.2557 1.2557 1.5513 1.5577 2.5320 2.5550 2.7188 2.7350 2.7497 2.7506 3.1255 3.1257 12.1034 12.2017 12.8189 13.0165 13.6110 13.7171 15.6038 15.6052 18.1227 18.1230 20.1472 20.1494 k = 0.0000 0.0000 0.2672 ( 1196 PWs) bands (ev): -3.3961 -3.3961 1.2555 1.2555 1.5539 1.5539 2.5435 2.5435 2.7263 2.7263 2.7477 2.7477 3.1256 3.1256 12.1980 12.1980 12.9189 12.9189 13.6156 13.6156 15.6049 15.6049 18.1264 18.1264 20.1442 20.1442 k = 0.0000 0.0000 0.2672 ( 1196 PWs) bands (ev): -3.3961 -3.3961 1.2555 1.2555 1.5539 1.5539 2.5435 2.5435 2.7263 2.7263 2.7477 2.7477 3.1256 3.1256 12.1980 12.1980 12.9189 12.9189 13.6156 13.6156 15.6049 15.6049 18.1264 18.1264 20.1442 20.1442 k = 0.0089-0.0000 0.2672 ( 1196 PWs) bands (ev): -3.3947 -3.3947 1.2563 1.2564 1.5540 1.5541 2.5429 2.5443 2.7256 2.7277 2.7476 2.7491 3.1248 3.1253 12.1977 12.2001 12.9171 12.9234 13.6126 13.6215 15.5805 15.5814 18.1338 18.1342 20.1454 20.1467 k = 0.0179-0.0000 0.2672 ( 1200 PWs) bands (ev): -3.3904 -3.3902 1.2590 1.2591 1.5544 1.5546 2.5424 2.5453 2.7251 2.7295 2.7490 2.7521 3.1231 3.1240 12.1992 12.2040 12.9179 12.9308 13.6123 13.6304 15.5098 15.5118 18.1551 18.1558 20.1503 20.1531 k = 0.0268-0.0000 0.2672 ( 1200 PWs) bands (ev): -3.3831 -3.3829 1.2634 1.2635 1.5551 1.5554 2.5421 2.5465 2.7239 2.7302 2.7536 2.7579 3.1204 3.1217 12.2023 12.2097 12.9213 12.9411 13.6144 13.6425 15.3981 15.4015 18.1871 18.1881 20.1588 20.1631 k = 0.0357-0.0000 0.2672 ( 1200 PWs) bands (ev): -3.3729 -3.3726 1.2695 1.2697 1.5561 1.5565 2.5419 2.5478 2.7214 2.7288 2.7624 2.7672 3.1166 3.1185 12.2070 12.2171 12.9271 12.9542 13.6182 13.6578 15.2522 15.2576 18.2259 18.2272 20.1708 20.1770 k = 0.0446-0.0000 0.2672 ( 1198 PWs) bands (ev): -3.3598 -3.3595 1.2774 1.2776 1.5573 1.5578 2.5417 2.5491 2.7175 2.7257 2.7752 2.7800 3.1120 3.1143 12.2131 12.2261 12.9349 12.9701 13.6229 13.6761 15.0792 15.0879 18.2683 18.2698 20.1860 20.1948 k = 0.0536-0.0000 0.2672 ( 1206 PWs) bands (ev): -3.3438 -3.3434 1.2869 1.2871 1.5589 1.5594 2.5413 2.5503 2.7123 2.7214 2.7916 2.7965 3.1063 3.1091 12.2204 12.2366 12.9445 12.9889 13.6269 13.6973 14.8862 14.9003 18.3118 18.3135 20.2038 20.2163 k = 0.0625-0.0000 0.2672 ( 1206 PWs) bands (ev): -3.3248 -3.3244 1.2980 1.2982 1.5607 1.5613 2.5407 2.5514 2.7061 2.7161 2.8115 2.8165 3.0998 3.1031 12.2284 12.2482 12.9551 13.0106 13.6271 13.7211 14.6794 14.7031 18.3552 18.3570 20.2235 20.2416 k = 0.0714-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.3030 -3.3025 1.3105 1.3107 1.5628 1.5635 2.5398 2.5521 2.6991 2.7101 2.8349 2.8400 3.0925 3.0962 12.2365 12.2606 12.9658 13.0349 13.6177 13.7466 14.4656 14.5069 18.3978 18.3997 20.2428 20.2707 k = 0.0804-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.2782 -3.2777 1.3245 1.3247 1.5651 1.5659 2.5384 2.5525 2.6912 2.7035 2.8618 2.8671 3.0844 3.0886 12.2437 12.2730 12.9748 13.0617 13.5872 13.7709 14.2534 14.3271 18.4397 18.4417 20.2565 20.3035 k = 0.0893-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.2506 -3.2500 1.3399 1.3400 1.5677 1.5685 2.5364 2.5523 2.6829 2.6965 2.8922 2.8976 3.0756 3.0803 12.2486 12.2845 12.9791 13.0905 13.5173 13.7826 14.0614 14.1863 18.4809 18.4831 20.2478 20.3393 k = 0.0982-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.2200 -3.2194 1.3565 1.3565 1.5705 1.5713 2.5337 2.5515 2.6742 2.6893 2.9260 2.9314 3.0665 3.0715 12.2482 12.2929 12.9730 13.1195 13.3956 13.7301 13.9516 14.1024 18.5220 18.5243 20.1671 20.3393 k = 0.1071-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.1866 -3.1859 1.3742 1.3742 1.5735 1.5744 2.5302 2.5499 2.6655 2.6819 2.9628 2.9679 3.0577 3.0626 12.2375 12.2941 12.9469 13.1315 13.2497 13.6027 13.9506 14.0705 18.5631 18.5655 19.9781 20.0686 k = 0.1161-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.1503 -3.1495 1.3928 1.3929 1.5767 1.5776 2.5256 2.5471 2.6569 2.6747 3.0008 3.0033 3.0530 3.0557 12.2073 12.2795 12.8921 13.0145 13.2199 13.4936 13.9845 14.0723 18.6047 18.6072 19.7339 19.7896 k = 0.1250-0.0000 0.2672 ( 1204 PWs) bands (ev): -3.1112 -3.1103 1.4123 1.4125 1.5801 1.5810 2.5200 2.5430 2.6489 2.6678 3.0183 3.0247 3.0660 3.0719 12.1427 12.2311 12.8167 12.8541 13.2532 13.4344 14.0291 14.0939 18.6471 18.6497 19.4725 19.5116 k = 0.1339-0.0000 0.2672 ( 1200 PWs) bands (ev): -3.0691 -3.0682 1.4325 1.4329 1.5837 1.5846 2.5132 2.5374 2.6417 2.6613 3.0117 3.0207 3.1075 3.1157 12.0289 12.1235 12.7386 12.7490 13.2947 13.4171 14.0797 14.1278 18.6904 18.6932 19.2060 19.2356 k = 0.1429-0.0000 0.2672 ( 1202 PWs) bands (ev): -3.0243 -3.0233 1.4533 1.4540 1.5875 1.5884 2.5052 2.5300 2.6355 2.6554 3.0004 3.0103 3.1589 3.1675 11.8641 11.9507 12.6826 12.7084 13.3400 13.4259 14.1347 14.1704 18.7351 18.7379 18.9386 18.9620 k = 0.1518-0.0000 0.2672 ( 1200 PWs) bands (ev): -2.9766 -2.9756 1.4745 1.4755 1.5914 1.5923 2.4959 2.5209 2.6305 2.6501 2.9877 2.9985 3.2152 3.2241 11.6611 11.7344 12.6676 12.6936 13.3883 13.4501 14.1936 14.2197 18.6719 18.6913 18.7811 18.7844 k = 0.1607-0.0000 0.2672 ( 1200 PWs) bands (ev): -2.9261 -2.9251 1.4961 1.4974 1.5954 1.5964 2.4854 2.5101 2.6266 2.6454 2.9744 2.9860 3.2758 3.2850 11.4346 11.4957 12.6742 12.6962 13.4391 13.4840 14.2561 14.2743 18.4079 18.4239 18.8287 18.8320 k = 0.1696-0.0000 0.2672 ( 1198 PWs) bands (ev): -2.8728 -2.8717 1.5177 1.5195 1.5996 1.6007 2.4739 2.4980 2.6237 2.6414 2.9606 2.9731 3.3405 3.3499 11.1944 11.2458 12.6919 12.7095 13.4923 13.5245 14.3220 14.3337 18.1469 18.1601 18.8780 18.8815 k = 0.1786-0.0000 0.2672 ( 1198 PWs) bands (ev): -2.8167 -2.8156 1.5392 1.5415 1.6040 1.6052 2.4614 2.4847 2.6215 2.6378 2.9465 2.9601 3.4091 3.4189 10.9465 10.9904 12.7156 12.7293 13.5477 13.5700 14.3912 14.3973 17.8897 17.9006 18.9291 18.9327 k = 0.1875-0.0000 0.2672 ( 1198 PWs) bands (ev): -2.7579 -2.7568 1.5602 1.5633 1.6088 1.6103 2.4482 2.4705 2.6198 2.6347 2.9323 2.9469 3.4818 3.4918 10.6943 10.7324 12.7427 12.7529 13.6052 13.6194 14.4635 14.4649 17.6369 17.6459 18.9821 18.9859 k = 0.1964-0.0000 0.2672 ( 1190 PWs) bands (ev): -2.6964 -2.6952 1.5798 1.5843 1.6141 1.6165 2.4344 2.4558 2.6185 2.6319 2.9181 2.9338 3.5584 3.5687 10.4400 10.4736 12.7713 12.7785 13.6646 13.6721 14.5361 14.5389 17.3894 17.3966 19.0370 19.0410 k = 0.2054-0.0000 0.2672 ( 1188 PWs) bands (ev): -2.6322 -2.6310 1.5965 1.6027 1.6218 1.6253 2.4202 2.4407 2.6175 2.6293 2.9039 2.9209 3.6389 3.6494 10.1852 10.2150 12.8000 12.8045 13.7258 13.7275 14.6107 14.6173 17.1481 17.1535 19.0939 19.0981 k = 0.2143-0.0000 0.2672 ( 1188 PWs) bands (ev): -2.5653 -2.5641 1.6080 1.6145 1.6355 1.6386 2.4058 2.4254 2.6165 2.6268 2.8899 2.9081 3.7234 3.7341 9.9307 9.9574 12.8277 12.8297 13.7852 13.7886 14.6886 14.6987 16.9139 16.9177 19.1529 19.1572 k = 0.2232-0.0000 0.2672 ( 1188 PWs) bands (ev): -2.4958 -2.4946 1.6154 1.6211 1.6538 1.6554 2.3914 2.4102 2.6154 2.6243 2.8762 2.8957 3.8118 3.8227 9.6773 9.7015 12.8527 12.8531 13.8449 13.8527 14.7696 14.7828 16.6880 16.6902 19.2138 19.2184 k = 0.2321-0.0000 0.2672 ( 1192 PWs) bands (ev): -2.4237 -2.4225 1.6208 1.6262 1.6727 1.6733 2.3771 2.3952 2.6142 2.6218 2.8629 2.8838 3.9040 3.9151 9.4256 9.4476 12.8719 12.8747 13.9062 13.9180 14.8535 14.8696 16.4719 16.4726 19.2769 19.2817 k = 0.2411-0.0000 0.2672 ( 1192 PWs) bands (ev): -2.3491 -2.3478 1.6252 1.6308 1.6910 1.6910 2.3633 2.3807 2.6128 2.6191 2.8501 2.8724 3.9999 4.0113 9.1760 9.1962 12.8857 12.8907 13.9689 13.9842 14.9401 14.9592 16.2668 16.2674 19.3420 19.3470 k = 0.2500-0.0000 0.2672 ( 1196 PWs) bands (ev): -2.2720 -2.2707 1.6291 1.6351 1.7079 1.7083 2.3499 2.3667 2.6110 2.6162 2.8379 2.8616 4.0997 4.1112 8.9290 8.9475 12.8919 12.8993 14.0324 14.0509 15.0292 15.0512 16.0749 16.0766 19.4091 19.4144 k = 0.2589-0.0000 0.2672 ( 1200 PWs) bands (ev): -2.1924 -2.1912 1.6326 1.6393 1.7236 1.7243 2.3371 2.3535 2.6089 2.6130 2.8265 2.8515 4.2031 4.2147 8.6848 8.7019 12.8883 12.8980 14.0965 14.1178 15.1204 15.1457 15.8999 15.9021 19.4783 19.4839 k = 0.2679-0.0000 0.2672 ( 1200 PWs) bands (ev): -2.1106 -2.1094 1.6357 1.6432 1.7380 1.7388 2.3253 2.3412 2.6062 2.6096 2.8160 2.8422 4.3101 4.3219 8.4438 8.4596 12.8722 12.8843 14.1609 14.1845 15.2127 15.2426 15.7452 15.7465 19.5494 19.5553 k = 0.2768-0.0000 0.2672 ( 1200 PWs) bands (ev): -2.0264 -2.0253 1.6385 1.6470 1.7508 1.7515 2.3143 2.3300 2.6031 2.6058 2.8064 2.8337 4.4207 4.4326 8.2064 8.2208 12.8411 12.8555 14.2250 14.2505 15.3034 15.3415 15.6127 15.6165 19.6225 19.6287 k = 0.2857-0.0000 0.2672 ( 1196 PWs) bands (ev): -1.9401 -1.9390 1.6409 1.6506 1.7619 1.7623 2.3045 2.3199 2.5996 2.6019 2.7978 2.8261 4.5348 4.5467 7.9727 7.9860 12.7926 12.8092 14.2886 14.3154 15.3769 15.4414 15.5044 15.5321 19.6975 19.7040 k = 0.2946-0.0000 0.2672 ( 1200 PWs) bands (ev): -1.8517 -1.8507 1.6429 1.6539 1.7711 1.7712 2.2958 2.3110 2.5955 2.5977 2.7902 2.8194 4.6521 4.6642 7.7431 7.7553 12.7250 12.7435 14.3513 14.3787 15.3729 15.4178 15.5475 15.5540 19.7742 19.7811 k = 0.3036-0.0000 0.2672 ( 1202 PWs) bands (ev): -1.7614 -1.7604 1.6444 1.6570 1.7778 1.7786 2.2882 2.3034 2.5911 2.5933 2.7837 2.8134 4.7727 4.7849 7.5178 7.5291 12.6375 12.6576 14.4132 14.4404 15.3321 15.3611 15.6423 15.6522 19.8526 19.8598 k = 0.3125-0.0000 0.2672 ( 1206 PWs) bands (ev): -1.6692 -1.6683 1.6454 1.6598 1.7822 1.7840 2.2819 2.2971 2.5863 2.5889 2.7782 2.8083 4.8964 4.9086 7.2974 7.3076 12.5307 12.5519 14.4742 14.5004 15.3072 15.3297 15.7432 15.7590 19.9324 19.9401 k = 0.3214-0.0000 0.2672 ( 1210 PWs) bands (ev): -1.5753 -1.5745 1.6457 1.6621 1.7845 1.7876 2.2767 2.2920 2.5813 2.5845 2.7737 2.8040 5.0229 5.0352 7.0820 7.0912 12.4061 12.4280 14.5346 14.5592 15.3042 15.3220 15.8486 15.8674 20.0134 20.0215 k = 0.3304-0.0000 0.2672 ( 1204 PWs) bands (ev): -1.4800 -1.4793 1.6452 1.6641 1.7847 1.7894 2.2725 2.2880 2.5763 2.5803 2.7701 2.8004 5.1522 5.1643 6.8722 6.8804 12.2659 12.2880 14.5950 14.6175 15.3216 15.3351 15.9565 15.9772 20.0953 20.1040 k = 0.3393-0.0000 0.2672 ( 1204 PWs) bands (ev): -1.3833 -1.3828 1.6439 1.6654 1.7829 1.7896 2.2692 2.2848 2.5714 2.5762 2.7672 2.7974 5.2836 5.2957 6.6685 6.6757 12.1126 12.1348 14.6557 14.6758 15.3564 15.3655 16.0661 16.0882 20.1778 20.1870 k = 0.3482-0.0000 0.2672 ( 1204 PWs) bands (ev): -1.2855 -1.2852 1.6416 1.6660 1.7795 1.7884 2.2666 2.2824 2.5667 2.5725 2.7652 2.7950 5.4167 5.4285 6.4721 6.4781 11.9489 11.9709 14.7169 14.7347 15.4052 15.4103 16.1770 16.2001 20.2602 20.2700 k = 0.3571-0.0000 0.2672 ( 1204 PWs) bands (ev): -1.1870 -1.1868 1.6382 1.6657 1.7746 1.7861 2.2645 2.2803 2.5624 2.5692 2.7637 2.7931 5.5497 5.5610 6.2848 6.2893 11.7772 11.7988 14.7789 14.7944 15.4651 15.4664 16.2888 16.3126 20.3416 20.3521 k = 0.3661-0.0000 0.2672 ( 1204 PWs) bands (ev): -1.0880 -1.0880 1.6334 1.6641 1.7688 1.7830 2.2627 2.2785 2.5586 2.5664 2.7629 2.7916 5.6772 5.6866 6.1134 6.1152 11.5996 11.6208 14.8414 14.8549 15.5315 15.5337 16.4011 16.4253 20.4209 20.4323 k = 0.3750-0.0000 0.2672 ( 1204 PWs) bands (ev): -0.9891 -0.9889 1.6272 1.6608 1.7625 1.7794 2.2611 2.2768 2.5554 2.5640 2.7625 2.7905 5.7630 5.7647 5.9920 5.9988 11.4180 11.4387 14.9041 14.9158 15.6038 15.6089 16.5135 16.5380 20.4948 20.5082 k = 0.3839-0.0000 0.2672 ( 1202 PWs) bands (ev): -0.8905 -0.8900 1.6193 1.6555 1.7563 1.7755 2.2594 2.2748 2.5528 2.5621 2.7625 2.7897 5.6872 5.6919 6.0353 6.0493 11.2340 11.2541 14.9665 14.9766 15.6816 15.6894 16.6254 16.6501 20.4750 20.5221 k = 0.3929-0.0000 0.2672 ( 1202 PWs) bands (ev): -0.7927 -0.7920 1.6097 1.6477 1.7506 1.7715 2.2577 2.2726 2.5508 2.5607 2.7629 2.7891 5.5441 5.5482 6.1610 6.1752 11.0490 11.0686 15.0280 15.0368 15.7637 15.7737 16.7364 16.7610 20.2961 20.3398 k = 0.4018-0.0000 0.2672 ( 1194 PWs) bands (ev): -0.6964 -0.6954 1.5984 1.6372 1.7460 1.7676 2.2557 2.2700 2.5495 2.5597 2.7636 2.7886 5.3975 5.4006 6.3005 6.3145 10.8644 10.8833 15.0879 15.0955 15.8490 15.8607 16.8458 16.8702 20.1167 20.1559 k = 0.4107-0.0000 0.2672 ( 1190 PWs) bands (ev): -0.6022 -0.6009 1.5854 1.6239 1.7425 1.7640 2.2536 2.2670 2.5488 2.5591 2.7646 2.7883 5.2570 5.2593 6.4438 6.4575 10.6815 10.6997 15.1456 15.1521 15.9364 15.9495 16.9528 16.9769 19.9431 19.9783 k = 0.4196-0.0000 0.2672 ( 1190 PWs) bands (ev): -0.5108 -0.5093 1.5708 1.6081 1.7401 1.7607 2.2513 2.2637 2.5486 2.5587 2.7659 2.7880 5.1257 5.1271 6.5880 6.6014 10.5015 10.5189 15.2002 15.2059 16.0248 16.0390 17.0566 17.0800 19.7767 19.8083 k = 0.4286-0.0000 0.2672 ( 1190 PWs) bands (ev): -0.4233 -0.4216 1.5550 1.5901 1.7386 1.7577 2.2488 2.2601 2.5488 2.5586 2.7673 2.7878 5.0048 5.0056 6.7312 6.7443 10.3259 10.3426 15.2512 15.2561 16.1131 16.1278 17.1560 17.1786 19.6189 19.6471 k = 0.4375-0.0000 0.2672 ( 1194 PWs) bands (ev): -0.3408 -0.3389 1.5383 1.5706 1.7378 1.7551 2.2463 2.2563 2.5494 2.5586 2.7689 2.7875 4.8955 4.8957 6.8719 6.8845 10.1565 10.1723 15.2979 15.3020 16.1997 16.2146 17.2499 17.2714 19.4712 19.4961 k = 0.4464-0.0000 0.2672 ( 1190 PWs) bands (ev): -0.2645 -0.2625 1.5214 1.5503 1.7376 1.7527 2.2439 2.2525 2.5502 2.5586 2.7706 2.7871 4.7985 4.7987 7.0080 7.0200 9.9956 10.0102 15.3397 15.3432 16.2830 16.2975 17.3367 17.3568 19.3355 19.3571 k = 0.4554-0.0000 0.2672 ( 1192 PWs) bands (ev): -0.1958 -0.1938 1.5049 1.5300 1.7378 1.7505 2.2416 2.2488 2.5512 2.5586 2.7724 2.7866 4.7147 4.7153 7.1368 7.1479 9.8459 9.8591 15.3761 15.3789 16.3610 16.3746 17.4150 17.4332 19.2140 19.2322 k = 0.4643-0.0000 0.2672 ( 1192 PWs) bands (ev): -0.1363 -0.1344 1.4898 1.5105 1.7383 1.7486 2.2396 2.2454 2.5523 2.5584 2.7743 2.7859 4.6452 4.6459 7.2547 7.2645 9.7112 9.7228 15.4066 15.4088 16.4311 16.4432 17.4829 17.4987 19.1090 19.1237 k = 0.4732-0.0000 0.2672 ( 1196 PWs) bands (ev): -0.0876 -0.0860 1.4772 1.4931 1.7391 1.7468 2.2381 2.2425 2.5535 2.5582 2.7761 2.7850 4.5904 4.5911 7.3570 7.3651 9.5967 9.6061 15.4308 15.4325 16.4906 16.5005 17.5388 17.5514 19.0235 19.0346 k = 0.4821-0.0000 0.2672 ( 1196 PWs) bands (ev): -0.0513 -0.0501 1.4679 1.4788 1.7400 1.7452 2.2371 2.2400 2.5545 2.5578 2.7780 2.7840 4.5510 4.5516 7.4377 7.4436 9.5082 9.5150 15.4484 15.4495 16.5366 16.5437 17.5809 17.5898 18.9602 18.9676 k = 0.4911-0.0000 0.2672 ( 1196 PWs) bands (ev): -0.0287 -0.0281 1.4631 1.4686 1.7411 1.7437 2.2368 2.2382 2.5556 2.5572 2.7797 2.7827 4.5273 4.5276 7.4905 7.4936 9.4523 9.4559 15.4592 15.4597 16.5663 16.5700 17.6078 17.6124 18.9217 18.9254 k = 0.5000-0.0000 0.2672 ( 1192 PWs) bands (ev): -0.0209 -0.0209 1.4633 1.4633 1.7424 1.7424 2.2372 2.2372 2.5565 2.5565 2.7813 2.7813 4.5195 4.5195 7.5099 7.5099 9.4342 9.4342 15.4629 15.4629 16.5777 16.5777 17.6184 17.6184 18.9099 18.9099 k = 0.5000-0.0000 0.2672 ( 1192 PWs) bands (ev): -0.0209 -0.0209 1.4633 1.4633 1.7424 1.7424 2.2372 2.2372 2.5565 2.5565 2.7813 2.7813 4.5195 4.5195 7.5099 7.5099 9.4342 9.4342 15.4629 15.4629 16.5777 16.5777 17.6184 17.6184 18.9099 18.9099 k = 0.5000 0.0089 0.2672 ( 1192 PWs) bands (ev): -0.0197 -0.0197 1.4635 1.4635 1.7429 1.7429 2.2372 2.2372 2.5566 2.5566 2.7810 2.7810 4.5204 4.5204 7.5108 7.5108 9.4362 9.4362 15.4502 15.4502 16.5763 16.5763 17.6205 17.6205 18.9112 18.9112 k = 0.5000 0.0179 0.2672 ( 1200 PWs) bands (ev): -0.0159 -0.0159 1.4642 1.4642 1.7443 1.7443 2.2372 2.2372 2.5570 2.5570 2.7802 2.7802 4.5232 4.5232 7.5138 7.5138 9.4423 9.4423 15.4120 15.4120 16.5722 16.5722 17.6269 17.6269 18.9150 18.9150 k = 0.5000 0.0268 0.2672 ( 1200 PWs) bands (ev): -0.0098 -0.0098 1.4655 1.4655 1.7468 1.7468 2.2373 2.2373 2.5578 2.5578 2.7789 2.7789 4.5278 4.5278 7.5187 7.5187 9.4524 9.4524 15.3489 15.3489 16.5663 16.5663 17.6373 17.6373 18.9214 18.9214 k = 0.5000 0.0357 0.2672 ( 1200 PWs) bands (ev): -0.0011 -0.0011 1.4671 1.4671 1.7501 1.7501 2.2373 2.2373 2.5590 2.5590 2.7770 2.7770 4.5343 4.5343 7.5255 7.5255 9.4666 9.4666 15.2619 15.2619 16.5594 16.5594 17.6518 17.6518 18.9303 18.9303 k = 0.5000 0.0446 0.2672 ( 1200 PWs) bands (ev): 0.0099 0.0099 1.4693 1.4693 1.7544 1.7544 2.2373 2.2373 2.5607 2.5607 2.7747 2.7747 4.5427 4.5427 7.5343 7.5343 9.4847 9.4847 15.1524 15.1524 16.5524 16.5524 17.6703 17.6703 18.9416 18.9416 k = 0.5000 0.0536 0.2672 ( 1204 PWs) bands (ev): 0.0234 0.0234 1.4719 1.4719 1.7594 1.7594 2.2370 2.2370 2.5630 2.5630 2.7719 2.7719 4.5529 4.5529 7.5451 7.5451 9.5067 9.5067 15.0224 15.0224 16.5460 16.5460 17.6927 17.6927 18.9553 18.9553 k = 0.5000 0.0625 0.2672 ( 1200 PWs) bands (ev): 0.0394 0.0394 1.4750 1.4750 1.7652 1.7652 2.2365 2.2365 2.5661 2.5661 2.7688 2.7688 4.5649 4.5649 7.5580 7.5580 9.5327 9.5327 14.8741 14.8741 16.5404 16.5404 17.7188 17.7188 18.9714 18.9714 k = 0.5000 0.0714 0.2672 ( 1200 PWs) bands (ev): 0.0577 0.0577 1.4784 1.4784 1.7717 1.7717 2.2357 2.2357 2.5702 2.5702 2.7652 2.7652 4.5787 4.5787 7.5728 7.5728 9.5625 9.5625 14.7097 14.7097 16.5358 16.5358 17.7487 17.7487 18.9898 18.9898 k = 0.5000 0.0804 0.2672 ( 1204 PWs) bands (ev): 0.0783 0.0783 1.4823 1.4823 1.7787 1.7787 2.2345 2.2345 2.5754 2.5754 2.7614 2.7614 4.5944 4.5944 7.5896 7.5896 9.5962 9.5962 14.5316 14.5316 16.5320 16.5320 17.7822 17.7822 19.0103 19.0103 k = 0.5000 0.0893 0.2672 ( 1204 PWs) bands (ev): 0.1013 0.1013 1.4866 1.4866 1.7861 1.7861 2.2328 2.2328 2.5818 2.5818 2.7573 2.7573 4.6119 4.6119 7.6085 7.6085 9.6335 9.6335 14.3420 14.3420 16.5288 16.5288 17.8194 17.8194 19.0328 19.0328 k = 0.5000 0.0982 0.2672 ( 1208 PWs) bands (ev): 0.1266 0.1266 1.4912 1.4912 1.7938 1.7938 2.2307 2.2307 2.5895 2.5895 2.7531 2.7531 4.6312 4.6312 7.6294 7.6294 9.6745 9.6745 14.1428 14.1428 16.5259 16.5259 17.8602 17.8602 19.0570 19.0570 k = 0.5000 0.1071 0.2672 ( 1208 PWs) bands (ev): 0.1542 0.1542 1.4962 1.4962 1.8016 1.8016 2.2280 2.2280 2.5988 2.5988 2.7488 2.7488 4.6523 4.6523 7.6524 7.6524 9.7190 9.7190 13.9358 13.9358 16.5228 16.5228 17.9045 17.9045 19.0822 19.0822 k = 0.5000 0.1161 0.2672 ( 1208 PWs) bands (ev): 0.1839 0.1839 1.5014 1.5014 1.8095 1.8095 2.2249 2.2249 2.6096 2.6096 2.7445 2.7445 4.6751 4.6751 7.6775 7.6775 9.7671 9.7671 13.7225 13.7225 16.5193 16.5193 17.9523 17.9523 19.0304 19.0304 k = 0.5000 0.1250 0.2672 ( 1208 PWs) bands (ev): 0.2158 0.2158 1.5070 1.5070 1.8172 1.8172 2.2213 2.2213 2.6218 2.6218 2.7404 2.7404 4.6997 4.6997 7.7047 7.7047 9.8186 9.8186 13.5042 13.5042 16.5147 16.5147 18.0035 18.0035 18.8114 18.8114 k = 0.5000 0.1339 0.2672 ( 1204 PWs) bands (ev): 0.2497 0.2497 1.5128 1.5128 1.8246 1.8246 2.2175 2.2175 2.6355 2.6355 2.7368 2.7368 4.7260 4.7260 7.7341 7.7341 9.8733 9.8733 13.2820 13.2820 16.5086 16.5086 18.0580 18.0580 18.5888 18.5888 k = 0.5000 0.1429 0.2672 ( 1200 PWs) bands (ev): 0.2857 0.2857 1.5188 1.5188 1.8315 1.8315 2.2135 2.2135 2.6504 2.6504 2.7339 2.7339 4.7539 4.7539 7.7657 7.7657 9.9313 9.9313 13.0571 13.0571 16.5003 16.5003 18.1154 18.1154 18.3660 18.3660 k = 0.5000 0.1518 0.2672 ( 1200 PWs) bands (ev): 0.3236 0.3236 1.5251 1.5251 1.8378 1.8378 2.2095 2.2095 2.6656 2.6656 2.7325 2.7325 4.7836 4.7836 7.7994 7.7994 9.9924 9.9924 12.8301 12.8301 16.4893 16.4893 18.1363 18.1363 18.1837 18.1837 k = 0.5000 0.1607 0.2672 ( 1200 PWs) bands (ev): 0.3632 0.3632 1.5315 1.5315 1.8433 1.8433 2.2058 2.2058 2.6799 2.6799 2.7341 2.7341 4.8148 4.8148 7.8353 7.8353 10.0566 10.0566 12.6020 12.6020 16.4747 16.4747 17.9206 17.9206 18.2426 18.2426 k = 0.5000 0.1696 0.2672 ( 1196 PWs) bands (ev): 0.4046 0.4046 1.5380 1.5380 1.8479 1.8479 2.2024 2.2024 2.6905 2.6905 2.7414 2.7414 4.8476 4.8476 7.8735 7.8735 10.1236 10.1236 12.3732 12.3732 16.4557 16.4557 17.7021 17.7021 18.3095 18.3095 k = 0.5000 0.1786 0.2672 ( 1200 PWs) bands (ev): 0.4476 0.4476 1.5445 1.5445 1.8514 1.8514 2.1995 2.1995 2.6959 2.6959 2.7560 2.7560 4.8819 4.8819 7.9139 7.9139 10.1934 10.1934 12.1445 12.1445 16.4313 16.4313 17.4861 17.4861 18.3795 18.3795 k = 0.5000 0.1875 0.2672 ( 1192 PWs) bands (ev): 0.4920 0.4920 1.5512 1.5512 1.8538 1.8538 2.1974 2.1974 2.6978 2.6978 2.7760 2.7760 4.9176 4.9176 7.9565 7.9565 10.2659 10.2659 11.9163 11.9163 16.4004 16.4004 17.2733 17.2733 18.4521 18.4521 k = 0.5000 0.1964 0.2672 ( 1188 PWs) bands (ev): 0.5377 0.5377 1.5578 1.5578 1.8550 1.8550 2.1962 2.1962 2.6983 2.6983 2.7995 2.7995 4.9547 4.9547 8.0014 8.0014 10.3409 10.3409 11.6892 11.6892 16.3620 16.3620 17.0642 17.0642 18.5271 18.5271 k = 0.5000 0.2053 0.2672 ( 1188 PWs) bands (ev): 0.5846 0.5846 1.5643 1.5643 1.8551 1.8551 2.1959 2.1959 2.6987 2.6987 2.8251 2.8251 4.9931 4.9931 8.0485 8.0485 10.4183 10.4183 11.4635 11.4635 16.3145 16.3145 16.8595 16.8595 18.6039 18.6039 k = 0.5000 0.2143 0.2672 ( 1188 PWs) bands (ev): 0.6323 0.6323 1.5708 1.5708 1.8542 1.8542 2.1967 2.1967 2.6994 2.6994 2.8524 2.8524 5.0328 5.0328 8.0978 8.0978 10.4978 10.4978 11.2397 11.2397 16.2563 16.2563 16.6603 16.6603 18.6817 18.6817 k = 0.5000 0.2232 0.2672 ( 1188 PWs) bands (ev): 0.6807 0.6807 1.5770 1.5770 1.8524 1.8524 2.1985 2.1985 2.7009 2.7009 2.8808 2.8808 5.0735 5.0735 8.1493 8.1493 10.5792 10.5792 11.0186 11.0186 16.1845 16.1845 16.4690 16.4690 18.7588 18.7588 k = 0.5000 0.2321 0.2672 ( 1188 PWs) bands (ev): 0.7295 0.7295 1.5830 1.5830 1.8499 1.8499 2.2013 2.2013 2.7035 2.7035 2.9101 2.9101 5.1153 5.1153 8.2029 8.2029 10.6595 10.6595 10.8030 10.8030 16.0933 16.0933 16.2910 16.2910 18.8315 18.8315 k = 0.5000 0.2411 0.2672 ( 1184 PWs) bands (ev): 0.7784 0.7784 1.5886 1.5886 1.8470 1.8470 2.2052 2.2052 2.7072 2.7072 2.9402 2.9402 5.1580 5.1580 8.2586 8.2586 10.5768 10.5768 10.7554 10.7554 15.9723 15.9723 16.1367 16.1367 18.8898 18.8898 k = 0.5000 0.2500 0.2672 ( 1184 PWs) bands (ev): 0.8272 0.8272 1.5938 1.5938 1.8439 1.8439 2.2100 2.2100 2.7124 2.7124 2.9708 2.9708 5.2014 5.2014 8.3161 8.3161 10.3665 10.3665 10.8404 10.8404 15.8201 15.8201 16.0078 16.0078 18.9120 18.9120 k = 0.5000 0.2589 0.2672 ( 1184 PWs) bands (ev): 0.8755 0.8755 1.5983 1.5983 1.8410 1.8410 2.2157 2.2157 2.7193 2.7193 3.0018 3.0018 5.2455 5.2455 8.3754 8.3754 10.1579 10.1579 10.9290 10.9290 15.6531 15.6531 15.8885 15.8885 18.8810 18.8810 k = 0.5000 0.2678 0.2672 ( 1184 PWs) bands (ev): 0.9229 0.9229 1.6022 1.6022 1.8385 1.8385 2.2222 2.2222 2.7280 2.7280 3.0329 3.0329 5.2900 5.2900 8.4359 8.4359 9.9534 9.9534 11.0195 11.0195 15.4833 15.4833 15.7678 15.7678 18.8083 18.8083 k = 0.5000 0.2768 0.2672 ( 1192 PWs) bands (ev): 0.9692 0.9692 1.6052 1.6052 1.8368 1.8368 2.2294 2.2294 2.7387 2.7387 3.0640 3.0640 5.3348 5.3348 8.4971 8.4971 9.7539 9.7539 11.1112 11.1112 15.3154 15.3154 15.6423 15.6423 18.7074 18.7074 k = 0.5000 0.2857 0.2672 ( 1200 PWs) bands (ev): 1.0138 1.0138 1.6072 1.6072 1.8361 1.8361 2.2372 2.2372 2.7516 2.7516 3.0950 3.0950 5.3798 5.3798 8.5578 8.5578 9.5610 9.5610 11.2039 11.2039 15.1513 15.1513 15.5113 15.5113 18.5876 18.5876 k = 0.5000 0.2946 0.2672 ( 1200 PWs) bands (ev): 1.0565 1.0565 1.6082 1.6082 1.8366 1.8366 2.2456 2.2456 2.7670 2.7670 3.1256 3.1256 5.4247 5.4247 8.6155 8.6155 9.3774 9.3774 11.2974 11.2974 14.9919 14.9919 15.3756 15.3756 18.4559 18.4559 k = 0.5000 0.3036 0.2672 ( 1200 PWs) bands (ev): 1.0970 1.0970 1.6081 1.6081 1.8384 1.8384 2.2544 2.2544 2.7851 2.7851 3.1557 3.1557 5.4693 5.4693 8.6637 8.6637 9.2097 9.2097 11.3913 11.3913 14.8379 14.8379 15.2360 15.2360 18.3173 18.3173 k = 0.5000 0.3125 0.2672 ( 1200 PWs) bands (ev): 1.1348 1.1348 1.6070 1.6070 1.8416 1.8416 2.2636 2.2636 2.8059 2.8059 3.1852 3.1852 5.5133 5.5133 8.6837 8.6837 9.0769 9.0769 11.4855 11.4855 14.6896 14.6896 15.0938 15.0938 18.1753 18.1753 k = 0.5000 0.3214 0.2672 ( 1196 PWs) bands (ev): 1.1699 1.1699 1.6050 1.6050 1.8460 1.8460 2.2730 2.2730 2.8297 2.8297 3.2140 3.2140 5.5566 5.5566 8.6374 8.6374 9.0171 9.0171 11.5794 11.5794 14.5474 14.5474 14.9501 14.9501 18.0321 18.0321 k = 0.5000 0.3303 0.2672 ( 1196 PWs) bands (ev): 1.2020 1.2020 1.6021 1.6021 1.8515 1.8515 2.2825 2.2825 2.8564 2.8564 3.2419 3.2419 5.5988 5.5988 8.5228 8.5228 9.0326 9.0326 11.6728 11.6728 14.4117 14.4117 14.8061 14.8061 17.8895 17.8895 k = 0.5000 0.3393 0.2672 ( 1200 PWs) bands (ev): 1.2310 1.2310 1.5986 1.5986 1.8577 1.8577 2.2920 2.2920 2.8860 2.8860 3.2687 3.2687 5.6396 5.6396 8.3805 8.3805 9.0828 9.0828 11.7653 11.7653 14.2828 14.2828 14.6630 14.6630 17.7488 17.7488 k = 0.5000 0.3482 0.2672 ( 1192 PWs) bands (ev): 1.2570 1.2570 1.5947 1.5947 1.8646 1.8646 2.3013 2.3013 2.9183 2.9183 3.2945 3.2945 5.6789 5.6789 8.2325 8.2325 9.1458 9.1458 11.8563 11.8563 14.1610 14.1610 14.5219 14.5219 17.6112 17.6112 k = 0.5000 0.3571 0.2672 ( 1192 PWs) bands (ev): 1.2800 1.2800 1.5905 1.5905 1.8717 1.8717 2.3103 2.3103 2.9531 2.9531 3.3190 3.3190 5.7162 5.7162 8.0867 8.0867 9.2139 9.2139 11.9454 11.9454 14.0466 14.0466 14.3839 14.3839 17.4778 17.4778 k = 0.5000 0.3661 0.2672 ( 1192 PWs) bands (ev): 1.3002 1.3002 1.5862 1.5862 1.8789 1.8789 2.3188 2.3188 2.9897 2.9897 3.3422 3.3422 5.7513 5.7513 7.9465 7.9465 9.2838 9.2838 12.0318 12.0318 13.9399 13.9399 14.2502 14.2502 17.3495 17.3495 k = 0.5000 0.3750 0.2672 ( 1192 PWs) bands (ev): 1.3176 1.3176 1.5819 1.5819 1.8859 1.8859 2.3268 2.3268 3.0277 3.0277 3.3640 3.3640 5.7839 5.7839 7.8135 7.8135 9.3537 9.3537 12.1150 12.1150 13.8412 13.8412 14.1220 14.1220 17.2273 17.2273 k = 0.5000 0.3839 0.2672 ( 1192 PWs) bands (ev): 1.3326 1.3326 1.5778 1.5778 1.8925 1.8925 2.3342 2.3342 3.0663 3.0663 3.3844 3.3844 5.8136 5.8136 7.6893 7.6893 9.4222 9.4222 12.1941 12.1941 13.7508 13.7508 14.0005 14.0005 17.1122 17.1122 k = 0.5000 0.3928 0.2672 ( 1196 PWs) bands (ev): 1.3452 1.3452 1.5740 1.5740 1.8986 1.8986 2.3408 2.3408 3.1046 3.1046 3.4033 3.4033 5.8403 5.8403 7.5750 7.5750 9.4882 9.4882 12.2684 12.2684 13.6690 13.6690 13.8868 13.8868 17.0051 17.0051 k = 0.5000 0.4018 0.2672 ( 1196 PWs) bands (ev): 1.3558 1.3558 1.5705 1.5705 1.9041 1.9041 2.3468 2.3468 3.1415 3.1415 3.4206 3.4206 5.8637 5.8637 7.4714 7.4714 9.5504 9.5504 12.3370 12.3370 13.5960 13.5960 13.7823 13.7823 16.9072 16.9072 k = 0.5000 0.4107 0.2672 ( 1192 PWs) bands (ev): 1.3645 1.3645 1.5674 1.5674 1.9090 1.9090 2.3520 2.3520 3.1760 3.1760 3.4362 3.4362 5.8836 5.8836 7.3797 7.3797 9.6079 9.6079 12.3988 12.3988 13.5322 13.5322 13.6883 13.6883 16.8193 16.8193 k = 0.5000 0.4196 0.2672 ( 1192 PWs) bands (ev): 1.3715 1.3715 1.5648 1.5648 1.9131 1.9131 2.3564 2.3564 3.2072 3.2072 3.4501 3.4501 5.9001 5.9001 7.3007 7.3007 9.6592 9.6592 12.4530 12.4530 13.4778 13.4778 13.6060 13.6060 16.7427 16.7427 k = 0.5000 0.4286 0.2672 ( 1200 PWs) bands (ev): 1.3770 1.3770 1.5626 1.5626 1.9165 1.9165 2.3600 2.3600 3.2340 3.2340 3.4621 3.4621 5.9131 5.9131 7.2350 7.2350 9.7033 9.7033 12.4987 12.4987 13.4330 13.4330 13.5368 13.5368 16.6782 16.6782 k = 0.5000 0.4375 0.2672 ( 1200 PWs) bands (ev): 1.3811 1.3811 1.5610 1.5610 1.9191 1.9191 2.3628 2.3628 3.2556 3.2556 3.4719 3.4719 5.9229 5.9229 7.1834 7.1834 9.7390 9.7390 12.5350 12.5350 13.3979 13.3979 13.4818 13.4818 16.6270 16.6270 k = 0.5000 0.4464 0.2672 ( 1200 PWs) bands (ev): 1.3840 1.3840 1.5598 1.5598 1.9210 1.9210 2.3648 2.3648 3.2715 3.2715 3.4792 3.4792 5.9297 5.9297 7.1462 7.1462 9.7653 9.7653 12.5614 12.5614 13.3728 13.3728 13.4418 13.4418 16.5897 16.5897 k = 0.5000 0.4553 0.2672 ( 1204 PWs) bands (ev): 1.3856 1.3856 1.5590 1.5590 1.9222 1.9222 2.3660 2.3660 3.2811 3.2811 3.4837 3.4837 5.9336 5.9336 7.1238 7.1238 9.7815 9.7815 12.5773 12.5773 13.3577 13.3577 13.4175 13.4175 16.5670 16.5670 k = 0.5000 0.4643 0.2672 ( 1200 PWs) bands (ev): 1.3862 1.3862 1.5588 1.5588 1.9226 1.9226 2.3664 2.3664 3.2844 3.2844 3.4853 3.4853 5.9349 5.9349 7.1163 7.1163 9.7869 9.7869 12.5827 12.5827 13.3526 13.3526 13.4094 13.4094 16.5594 16.5594 k = 0.5000 0.4643 0.2672 ( 1200 PWs) bands (ev): 1.3862 1.3862 1.5588 1.5588 1.9226 1.9226 2.3664 2.3664 3.2844 3.2844 3.4853 3.4853 5.9349 5.9349 7.1163 7.1163 9.7869 9.7869 12.5827 12.5827 13.3526 13.3526 13.4094 13.4094 16.5594 16.5594 k = 0.4911 0.4643 0.2672 ( 1196 PWs) bands (ev): 1.3785 1.3893 1.5576 1.5614 1.9085 1.9360 2.3613 2.3707 3.2763 3.2828 3.4803 3.4865 5.9346 5.9563 7.1045 7.1233 9.7734 9.7859 12.5341 12.6132 13.3586 13.3594 13.3878 13.4564 16.5656 16.5708 k = 0.4821 0.4643 0.2672 ( 1200 PWs) bands (ev): 1.3664 1.3879 1.5579 1.5653 1.8939 1.9486 2.3556 2.3745 3.2591 3.2713 3.4721 3.4837 5.9546 5.9989 7.0877 7.1261 9.7460 9.7703 12.4736 12.6197 13.3774 13.3781 13.3980 13.5227 16.5892 16.5997 k = 0.4732 0.4643 0.2672 ( 1200 PWs) bands (ev): 1.3498 1.3816 1.5596 1.5702 1.8793 1.9602 2.3494 2.3775 3.2338 3.2502 3.4614 3.4773 5.9930 6.0616 7.0657 7.1260 9.7055 9.7407 12.4057 12.6000 13.4088 13.4089 13.4414 13.6040 16.6297 16.6456 k = 0.4643 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.3289 1.3703 1.5628 1.5759 1.8650 1.9708 2.3425 2.3800 3.2016 3.2203 3.4489 3.4678 6.0467 6.1427 7.0388 7.1245 9.6532 9.6979 12.3327 12.5569 13.4526 13.4526 13.5134 13.6974 16.6863 16.7079 k = 0.4554 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.3035 1.3534 1.5674 1.5824 1.8514 1.9803 2.3353 2.3819 3.1639 3.1832 3.4350 3.4555 6.1117 6.2399 7.0077 7.1242 9.5905 9.6431 12.2560 12.4958 13.5085 13.5086 13.6083 13.8014 16.7580 16.7855 k = 0.4464 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.2736 1.3307 1.5731 1.5894 1.8390 1.9886 2.3278 2.3834 3.1224 3.1410 3.4197 3.4410 6.1827 6.3502 6.9739 7.1287 9.5190 9.5779 12.1760 12.4217 13.5760 13.5762 13.7208 13.9147 16.8439 16.8773 k = 0.4375 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.2391 1.3016 1.5801 1.5969 1.8283 1.9957 2.3203 2.3843 3.0786 3.0956 3.4029 3.4243 6.2528 6.4688 6.9407 7.1434 9.4401 9.5037 12.0932 12.3384 13.6547 13.6549 13.8464 14.0366 16.9426 16.9823 k = 0.4286 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.1999 1.2659 1.5881 1.6049 1.8196 2.0015 2.3130 2.3849 3.0341 3.0488 3.3845 3.4057 6.3142 6.5842 6.9182 7.1747 9.3554 9.4221 12.0076 12.2484 13.7443 13.7444 13.9820 14.1660 17.0530 17.0991 k = 0.4196 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.1560 1.2236 1.5971 1.6135 1.8130 2.0059 2.3062 2.3851 2.9901 3.0021 3.3644 3.3852 6.3593 6.6641 6.9379 7.2294 9.2661 9.3346 11.9196 12.1534 13.8440 13.8441 14.1251 14.3020 17.1737 17.2265 k = 0.4107 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.1074 1.1748 1.6070 1.6225 1.8084 2.0089 2.3003 2.3851 2.9474 2.9567 3.3427 3.3629 6.3831 6.6726 7.0344 7.3113 9.1735 9.2427 11.8294 12.0547 13.9533 13.9537 14.2737 14.4435 17.3034 17.3631 k = 0.4018 0.4643 0.2672 ( 1204 PWs) bands (ev): 1.0542 1.1200 1.6179 1.6319 1.8059 2.0103 2.2956 2.3848 2.9068 2.9134 3.3193 3.3388 6.3854 6.6368 7.1802 7.4199 9.0788 9.1476 11.7373 11.9534 14.0718 14.0727 14.4261 14.5893 17.4407 17.5075 k = 0.3929 0.4643 0.2672 ( 1200 PWs) bands (ev): 0.9967 1.0597 1.6296 1.6418 1.8052 2.0101 2.2924 2.3844 2.8688 2.8725 3.2943 3.3132 6.3692 6.5841 7.3470 7.5515 8.9833 9.0507 11.6437 11.8503 14.1990 14.2004 14.5805 14.7383 17.5835 17.6577 k = 0.3839 0.4643 0.2672 ( 1204 PWs) bands (ev): 0.9351 0.9945 1.6420 1.6520 1.8062 2.0083 2.2909 2.3837 2.8336 2.8345 3.2677 3.2860 6.3387 6.5236 7.5247 7.7010 8.8882 8.9534 11.5489 11.7458 14.3344 14.3364 14.7354 14.8889 17.7291 17.8103 k = 0.3750 0.4643 0.2672 ( 1192 PWs) bands (ev): 0.8698 0.9252 1.6552 1.6623 1.8087 2.0050 2.2913 2.3830 2.7994 2.8013 3.2398 3.2574 6.2975 6.4587 7.7085 7.8635 8.7957 8.8575 11.4532 11.6407 14.4773 14.4802 14.8888 15.0394 17.8725 17.9583 k = 0.3661 0.4643 0.2672 ( 1192 PWs) bands (ev): 0.8013 0.8524 1.6689 1.6728 1.8125 2.0004 2.2935 2.3821 2.7671 2.7720 3.2105 3.2275 6.2486 6.3908 7.8936 8.0330 8.7094 8.7665 11.3571 11.5353 14.6274 14.6313 15.0391 15.1881 18.0044 18.0837 k = 0.3571 0.4643 0.2672 ( 1192 PWs) bands (ev): 0.7300 0.7767 1.6830 1.6832 1.8176 1.9945 2.2976 2.3811 2.7375 2.7456 3.1800 3.1964 6.1940 6.3209 8.0698 8.1985 8.6390 8.6900 11.2609 11.4300 14.7840 14.7894 15.1841 15.3328 18.1090 18.1547 k = 0.3482 0.4643 0.2672 ( 1188 PWs) bands (ev): 0.6565 0.6990 1.6929 1.6979 1.8238 1.9877 2.3033 2.3799 2.7103 2.7220 3.1486 3.1643 6.1352 6.2495 8.2055 8.3227 8.6158 8.6640 11.1647 11.3252 14.9464 14.9538 15.3219 15.4711 18.1728 18.1759 k = 0.3393 0.4643 0.2672 ( 1180 PWs) bands (ev): 0.5811 0.6196 1.7022 1.7129 1.8312 1.9799 2.3106 2.3784 2.6855 2.7013 3.1163 3.1315 6.0735 6.1772 8.2425 8.3368 8.6978 8.7566 11.0689 11.2211 15.1136 15.1242 15.4506 15.6002 18.1739 18.2173 k = 0.3304 0.4643 0.2672 ( 1180 PWs) bands (ev): 0.5045 0.5393 1.7106 1.7281 1.8397 1.9716 2.3191 2.3766 2.6628 2.6833 3.0834 3.0980 6.0096 6.1043 8.1984 8.2758 8.8673 8.9322 10.9738 11.1180 15.2838 15.2997 15.5692 15.7175 18.1797 18.2538 k = 0.3214 0.4643 0.2672 ( 1180 PWs) bands (ev): 0.4270 0.4584 1.7181 1.7433 1.8492 1.9627 2.3287 2.3744 2.6420 2.6679 3.0501 3.0641 5.9442 6.0313 8.1260 8.1938 9.0715 9.1363 10.8796 11.0161 15.4523 15.4792 15.6796 15.8208 18.2000 18.2988 k = 0.3125 0.4643 0.2672 ( 1180 PWs) bands (ev): 0.3491 0.3774 1.7243 1.7583 1.8597 1.9534 2.3392 2.3717 2.6231 2.6552 3.0166 3.0300 5.8780 5.9583 8.0450 8.1062 9.2904 9.3532 10.7865 10.9158 15.6061 15.6599 15.7928 15.9101 18.2392 18.3592 k = 0.3036 0.4643 0.2672 ( 1180 PWs) bands (ev): 0.2711 0.2966 1.7293 1.7729 1.8709 1.9440 2.3502 2.3684 2.6061 2.6451 2.9832 2.9960 5.8113 5.8856 7.9616 8.0176 9.5176 9.5779 10.6947 10.8171 15.7193 15.8302 15.9334 15.9950 18.2995 18.4383 k = 0.2946 0.4643 0.2672 ( 1184 PWs) bands (ev): 0.1935 0.2164 1.7329 1.7867 1.8826 1.9346 2.3614 2.3646 2.5911 2.6375 2.9501 2.9623 5.7446 5.8135 7.8782 7.9296 9.7507 9.8085 10.6044 10.7204 15.7866 15.9464 16.1067 16.1187 18.3798 18.5371 k = 0.2857 0.4643 0.2672 ( 1188 PWs) bands (ev): 0.1165 0.1370 1.7352 1.7993 1.8946 1.9256 2.3603 2.3725 2.5781 2.6323 2.9175 2.9291 5.6781 5.7422 7.7959 7.8431 9.9878 10.0437 10.5162 10.6263 15.8236 15.9930 16.2972 16.2975 18.4748 18.6549 k = 0.2768 0.4643 0.2672 ( 1184 PWs) bands (ev): 0.0403 0.0588 1.7362 1.8098 1.9063 1.9174 2.3557 2.3830 2.5675 2.6293 2.8858 2.8969 5.6122 5.6718 7.7152 7.7585 10.2256 10.2799 10.4331 10.5376 15.8401 16.0068 16.4954 16.4974 18.5656 18.7853 k = 0.2679 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.0347 -0.0180 1.7358 1.8173 1.9109 1.9175 2.3510 2.3925 2.5597 2.6283 2.8552 2.8660 5.5470 5.6026 7.6364 7.6760 10.3366 10.4011 10.5170 10.5351 15.8412 16.0020 16.7011 16.7029 18.5958 18.6993 k = 0.2589 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.1084 -0.0934 1.7341 1.8206 1.9069 1.9278 2.3466 2.4004 2.5550 2.6288 2.8260 2.8366 5.4828 5.5347 7.5598 7.5958 10.2559 10.3399 10.7386 10.7801 15.8302 15.9838 16.9111 16.9123 18.5461 18.6035 k = 0.2500 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.1805 -0.1670 1.7310 1.8189 1.9062 1.9367 2.3427 2.4064 2.5535 2.6305 2.7986 2.8094 5.4198 5.4682 7.4855 7.5181 10.1750 10.2561 10.9880 11.0305 15.8096 15.9556 17.1234 17.1240 18.4696 18.5117 k = 0.2411 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.2510 -0.2388 1.7267 1.8123 1.9082 1.9440 2.3399 2.4104 2.5553 2.6325 2.7733 2.7850 5.3580 5.4032 7.4136 7.4429 10.0958 10.1725 11.2422 11.2843 15.7819 15.9201 17.3355 17.3358 18.3902 18.4260 k = 0.2321 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.3196 -0.3086 1.7209 1.8019 1.9117 1.9491 2.3384 2.4128 2.5597 2.6339 2.7507 2.7644 5.2978 5.3399 7.3442 7.3703 10.0186 10.0907 11.4994 11.5408 15.7486 15.8792 17.5423 17.5431 18.3185 18.3506 k = 0.2232 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.3863 -0.3763 1.7138 1.7887 1.9155 1.9520 2.3387 2.4140 2.5656 2.6334 2.7314 2.7488 5.2391 5.2784 7.2772 7.3004 9.9437 10.0112 11.7590 11.7997 15.7114 15.8346 17.7293 17.7334 18.2701 18.2977 k = 0.2143 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.4509 -0.4419 1.7053 1.7734 1.9188 1.9527 2.3407 2.4148 2.5717 2.6295 2.7162 2.7395 5.1822 5.2187 7.2127 7.2330 9.8711 9.9341 12.0205 12.0607 15.6714 15.7877 17.8553 17.8700 18.2869 18.3035 k = 0.2054 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.5133 -0.5052 1.6953 1.7564 1.9211 1.9511 2.3446 2.4154 2.5765 2.6221 2.7062 2.7368 5.1270 5.1610 7.1508 7.1683 9.8009 9.8596 12.2837 12.3234 15.6298 15.7394 17.8780 17.9059 18.4109 18.4146 k = 0.1964 0.4643 0.2672 ( 1192 PWs) bands (ev): -0.5734 -0.5661 1.6840 1.7382 1.9223 1.9476 2.3499 2.4162 2.5788 2.6121 2.7023 2.7395 5.0737 5.1053 7.0913 7.1063 9.7331 9.7877 12.5479 12.5875 15.5875 15.6908 17.8375 17.8725 18.5987 18.6012 k = 0.1875 0.4643 0.2672 ( 1188 PWs) bands (ev): -0.6313 -0.6247 1.6712 1.7188 1.9222 1.9425 2.3565 2.4170 2.5784 2.6010 2.7044 2.7462 5.0224 5.0516 7.0344 7.0470 9.6679 9.7185 12.8129 12.8524 15.5450 15.6426 17.7764 17.8156 18.8088 18.8144 k = 0.1786 0.4643 0.2672 ( 1188 PWs) bands (ev): -0.6867 -0.6808 1.6571 1.6985 1.9211 1.9363 2.3638 2.4179 2.5762 2.5904 2.7116 2.7554 4.9731 5.0001 6.9800 6.9903 9.6053 9.6521 13.0780 13.1176 15.5033 15.5956 17.7092 17.7521 19.0263 19.0342 k = 0.1696 0.4643 0.2672 ( 1188 PWs) bands (ev): -0.7397 -0.7343 1.6418 1.6775 1.9189 1.9293 2.3711 2.4183 2.5736 2.5812 2.7224 2.7662 4.9260 4.9508 6.9281 6.9363 9.5454 9.5885 13.3426 13.3825 15.4631 15.5504 17.6408 17.6875 19.2425 19.2526 k = 0.1607 0.4643 0.2672 ( 1188 PWs) bands (ev): -0.7902 -0.7853 1.6255 1.6560 1.9158 1.9219 2.3778 2.4180 2.5718 2.5741 2.7355 2.7780 4.8809 4.9037 6.8788 6.8850 9.4882 9.5278 13.6058 13.6461 15.4250 15.5080 17.5734 17.6241 19.4507 19.4629 k = 0.1518 0.4643 0.2672 ( 1176 PWs) bands (ev): -0.8381 -0.8338 1.6083 1.6342 1.9121 1.9144 2.3834 2.4167 2.5695 2.5718 2.7499 2.7905 4.8381 4.8590 6.8319 6.8365 9.4338 9.4700 13.8661 13.9069 15.3902 15.4696 17.5079 17.5631 19.6423 19.6565 k = 0.1429 0.4643 0.2672 ( 1172 PWs) bands (ev): -0.8835 -0.8796 1.5904 1.6123 1.9070 1.9079 2.3874 2.4143 2.5678 2.5737 2.7652 2.8032 4.7975 4.8165 6.7876 6.7906 9.3822 9.4153 14.1217 14.1629 15.3603 15.4370 17.4449 17.5052 19.8063 19.8184 k = 0.1339 0.4643 0.2672 ( 1176 PWs) bands (ev): -0.9263 -0.9227 1.5721 1.5906 1.8999 1.9034 2.3895 2.4108 2.5690 2.5776 2.7807 2.8161 4.7592 4.7765 6.7457 6.7474 9.3335 9.3636 14.3689 14.4098 15.3384 15.4140 17.3847 17.4508 19.8494 19.8939 k = 0.1250 0.4643 0.2672 ( 1180 PWs) bands (ev): -0.9663 -0.9632 1.5537 1.5692 1.8932 1.8987 2.3897 2.4065 2.5729 2.5831 2.7962 2.8288 4.7232 4.7388 6.7064 6.7069 9.2877 9.3150 14.6001 14.6393 15.3313 15.4083 17.3276 17.4004 19.8283 19.8698 k = 0.1161 0.4643 0.2672 ( 1184 PWs) bands (ev): -1.0038 -1.0009 1.5354 1.5484 1.8869 1.8939 2.3885 2.4015 2.5788 2.5900 2.8115 2.8413 4.6895 4.7036 6.6692 6.6697 9.2448 9.2695 14.7983 14.8332 15.3549 15.4374 17.2737 17.3545 19.8061 19.8433 k = 0.1071 0.4643 0.2672 ( 1188 PWs) bands (ev): -1.0385 -1.0359 1.5175 1.5283 1.8812 1.8891 2.3860 2.3961 2.5864 2.5978 2.8264 2.8534 4.6583 4.6708 6.6342 6.6355 9.2050 9.2272 14.9337 14.9632 15.4378 15.5286 17.2233 17.3134 19.7844 19.8177 k = 0.0982 0.4643 0.2672 ( 1192 PWs) bands (ev): -1.0705 -1.0682 1.5002 1.5092 1.8760 1.8845 2.3827 2.3907 2.5950 2.6061 2.8406 2.8650 4.6294 4.6406 6.6019 6.6039 9.1683 9.1880 14.9954 15.0224 15.5893 15.6877 17.1765 17.2778 19.7637 19.7934 k = 0.0893 0.4643 0.2672 ( 1192 PWs) bands (ev): -1.0997 -1.0978 1.4837 1.4911 1.8714 1.8800 2.3790 2.3853 2.6041 2.6145 2.8541 2.8759 4.6030 4.6129 6.5724 6.5748 9.1346 9.1521 15.0123 15.0383 15.7782 15.8856 17.1334 17.2486 19.7445 19.7708 k = 0.0804 0.4643 0.2672 ( 1192 PWs) bands (ev): -1.1263 -1.1245 1.4682 1.4744 1.8673 1.8757 2.3751 2.3801 2.6133 2.6228 2.8668 2.8861 4.5791 4.5877 6.5457 6.5484 9.1041 9.1195 15.0105 15.0351 15.9755 16.0963 17.0943 17.2269 19.7269 19.7500 k = 0.0714 0.4643 0.2672 ( 1196 PWs) bands (ev): -1.1500 -1.1485 1.4539 1.4590 1.8637 1.8718 2.3713 2.3753 2.6223 2.6308 2.8785 2.8953 4.5576 4.5650 6.5218 6.5247 9.0768 9.0902 15.0016 15.0242 16.1657 16.3057 17.0597 17.2146 19.7109 19.7310 k = 0.0625 0.4643 0.2672 ( 1204 PWs) bands (ev): -1.1710 -1.1697 1.4410 1.4451 1.8606 1.8681 2.3677 2.3709 2.6307 2.6381 2.8892 2.9037 4.5387 4.5450 6.5007 6.5036 9.0527 9.0642 14.9904 15.0106 16.3392 16.5053 17.0310 17.2139 19.6968 19.7140 k = 0.0536 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.1891 -1.1881 1.4296 1.4329 1.8581 1.8648 2.3644 2.3669 2.6384 2.6448 2.8987 2.9110 4.5223 4.5275 6.4825 6.4852 9.0318 9.0415 14.9792 14.9967 16.4880 16.6856 17.0123 17.2278 19.6846 19.6991 k = 0.0446 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.2045 -1.2036 1.4197 1.4223 1.8561 1.8618 2.3615 2.3635 2.6453 2.6505 2.9070 2.9171 4.5084 4.5127 6.4670 6.4695 9.0142 9.0221 14.9689 14.9837 16.6060 16.8242 17.0217 17.2576 19.6744 19.6862 k = 0.0357 0.4643 0.2672 ( 1204 PWs) bands (ev): -1.2171 -1.2164 1.4116 1.4136 1.8545 1.8593 2.3591 2.3606 2.6512 2.6553 2.9141 2.9221 4.4971 4.5005 6.4545 6.4565 8.9999 9.0062 14.9602 14.9721 16.6916 16.8785 17.0974 17.3006 19.6662 19.6755 k = 0.0268 0.4643 0.2672 ( 1204 PWs) bands (ev): -1.2269 -1.2264 1.4052 1.4067 1.8535 1.8571 2.3572 2.3583 2.6559 2.6590 2.9199 2.9258 4.4884 4.4909 6.4448 6.4464 8.9889 8.9936 14.9536 14.9625 16.7495 16.8791 17.2044 17.3477 19.6601 19.6669 k = 0.0179 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.2338 -1.2335 1.4007 1.4016 1.8529 1.8554 2.3559 2.3566 2.6595 2.6615 2.9243 2.9282 4.4823 4.4839 6.4379 6.4390 8.9813 8.9844 14.9491 14.9551 16.7880 16.8672 17.2977 17.3868 19.6560 19.6605 k = 0.0089 0.4643 0.2672 ( 1216 PWs) bands (ev): -1.2380 -1.2378 1.3980 1.3985 1.8529 1.8541 2.3551 2.3555 2.6619 2.6629 2.9273 2.9293 4.4787 4.4795 6.4339 6.4345 8.9770 8.9785 14.9470 14.9500 16.8147 16.8521 17.3644 17.4070 19.6539 19.6562 k = 0.0000 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.2393 -1.2393 1.3973 1.3973 1.8533 1.8533 2.3550 2.3550 2.6630 2.6630 2.9290 2.9290 4.4778 4.4778 6.4328 6.4328 8.9761 8.9761 14.9473 14.9473 16.8350 16.8350 17.4007 17.4007 19.6540 19.6540 k = 0.0000 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.2393 -1.2393 1.3973 1.3973 1.8533 1.8533 2.3550 2.3550 2.6630 2.6630 2.9290 2.9290 4.4778 4.4778 6.4328 6.4328 8.9761 8.9761 14.9473 14.9473 16.8350 16.8350 17.4007 17.4007 19.6540 19.6540 k = 0.0000 0.4553 0.2672 ( 1208 PWs) bands (ev): -1.2427 -1.2427 1.3972 1.3972 1.8532 1.8532 2.3551 2.3551 2.6631 2.6631 2.9291 2.9291 4.4843 4.4843 6.4220 6.4220 8.9891 8.9891 14.9449 14.9449 16.8283 16.8283 17.3980 17.3980 19.6606 19.6606 k = 0.0000 0.4464 0.2672 ( 1216 PWs) bands (ev): -1.2530 -1.2530 1.3969 1.3969 1.8528 1.8528 2.3553 2.3553 2.6634 2.6634 2.9293 2.9293 4.5037 4.5037 6.3902 6.3902 9.0273 9.0273 14.9381 14.9381 16.8082 16.8082 17.3899 17.3899 19.6802 19.6802 k = 0.0000 0.4375 0.2672 ( 1212 PWs) bands (ev): -1.2699 -1.2699 1.3963 1.3963 1.8523 1.8523 2.3556 2.3556 2.6640 2.6640 2.9297 2.9297 4.5359 4.5359 6.3394 6.3394 9.0890 9.0890 14.9268 14.9268 16.7755 16.7755 17.3766 17.3766 19.7127 19.7127 k = 0.0000 0.4286 0.2672 ( 1212 PWs) bands (ev): -1.2932 -1.2932 1.3955 1.3955 1.8516 1.8516 2.3561 2.3561 2.6648 2.6648 2.9302 2.9302 4.5805 4.5805 6.2721 6.2721 9.1714 9.1714 14.9115 14.9115 16.7309 16.7309 17.3584 17.3584 19.7578 19.7578 k = 0.0000 0.4196 0.2672 ( 1210 PWs) bands (ev): -1.3226 -1.3226 1.3946 1.3946 1.8507 1.8507 2.3565 2.3565 2.6657 2.6657 2.9308 2.9308 4.6373 4.6373 6.1913 6.1913 9.2716 9.2716 14.8925 14.8925 16.6757 16.6757 17.3357 17.3357 19.8151 19.8151 k = 0.0000 0.4107 0.2672 ( 1202 PWs) bands (ev): -1.3577 -1.3577 1.3934 1.3934 1.8496 1.8496 2.3571 2.3571 2.6669 2.6669 2.9316 2.9316 4.7057 4.7057 6.0998 6.0998 9.3867 9.3867 14.8704 14.8704 16.6111 16.6111 17.3087 17.3087 19.8841 19.8841 k = 0.0000 0.4018 0.2672 ( 1206 PWs) bands (ev): -1.3981 -1.3981 1.3920 1.3920 1.8485 1.8485 2.3576 2.3576 2.6683 2.6683 2.9326 2.9326 4.7851 4.7851 6.0002 6.0002 9.5140 9.5140 14.8457 14.8457 16.5385 16.5385 17.2777 17.2777 19.9644 19.9644 k = 0.0000 0.3928 0.2672 ( 1208 PWs) bands (ev): -1.4431 -1.4431 1.3904 1.3904 1.8472 1.8472 2.3580 2.3580 2.6699 2.6699 2.9338 2.9338 4.8748 4.8748 5.8950 5.8950 9.6514 9.6514 14.8191 14.8191 16.4591 16.4591 17.2432 17.2432 20.0553 20.0553 k = 0.0000 0.3839 0.2672 ( 1198 PWs) bands (ev): -1.4924 -1.4924 1.3886 1.3886 1.8457 1.8457 2.3585 2.3585 2.6717 2.6717 2.9351 2.9351 4.9738 4.9738 5.7865 5.7865 9.7967 9.7967 14.7912 14.7912 16.3742 16.3742 17.2054 17.2054 20.1565 20.1565 k = 0.0000 0.3750 0.2672 ( 1198 PWs) bands (ev): -1.5455 -1.5455 1.3866 1.3866 1.8441 1.8441 2.3590 2.3590 2.6736 2.6736 2.9367 2.9367 5.0799 5.0799 5.6775 5.6775 9.9484 9.9484 14.7629 14.7629 16.2849 16.2849 17.1646 17.1646 20.2672 20.2672 k = 0.0000 0.3661 0.2672 ( 1196 PWs) bands (ev): -1.6018 -1.6018 1.3845 1.3845 1.8423 1.8423 2.3595 2.3595 2.6757 2.6757 2.9385 2.9385 5.1877 5.1877 5.5742 5.5742 10.1049 10.1049 14.7349 14.7349 16.1921 16.1921 17.1210 17.1210 20.3870 20.3870 k = 0.0000 0.3571 0.2672 ( 1196 PWs) bands (ev): -1.6608 -1.6608 1.3821 1.3821 1.8403 1.8403 2.3600 2.3600 2.6779 2.6779 2.9405 2.9405 5.2711 5.2711 5.5030 5.5030 10.2650 10.2650 14.7080 14.7080 16.0967 16.0967 17.0751 17.0751 20.5153 20.5153 k = 0.0000 0.3482 0.2672 ( 1196 PWs) bands (ev): -1.7221 -1.7221 1.3796 1.3796 1.8380 1.8380 2.3607 2.3607 2.6802 2.6802 2.9428 2.9428 5.2518 5.2518 5.5427 5.5427 10.4275 10.4275 14.6831 14.6831 15.9994 15.9994 17.0270 17.0270 20.6517 20.6517 k = 0.0000 0.3393 0.2672 ( 1194 PWs) bands (ev): -1.7852 -1.7852 1.3770 1.3770 1.8353 1.8353 2.3615 2.3615 2.6826 2.6826 2.9453 2.9453 5.1593 5.1593 5.6636 5.6636 10.5911 10.5911 14.6612 14.6612 15.9009 15.9009 16.9771 16.9771 20.7957 20.7957 k = 0.0000 0.3303 0.2672 ( 1198 PWs) bands (ev): -1.8497 -1.8497 1.3742 1.3742 1.8323 1.8323 2.3626 2.3626 2.6851 2.6851 2.9481 2.9481 5.0511 5.0511 5.8084 5.8084 10.7548 10.7548 14.6433 14.6433 15.8017 15.8017 16.9256 16.9256 20.9468 20.9468 k = 0.0000 0.3214 0.2672 ( 1190 PWs) bands (ev): -1.9152 -1.9152 1.3712 1.3712 1.8288 1.8288 2.3640 2.3640 2.6877 2.6877 2.9512 2.9512 4.9394 4.9394 5.9648 5.9648 10.9173 10.9173 14.6306 14.6306 15.7023 15.7023 16.8728 16.8728 21.1045 21.1045 k = 0.0000 0.3125 0.2672 ( 1186 PWs) bands (ev): -1.9814 -1.9814 1.3681 1.3681 1.8249 1.8249 2.3658 2.3658 2.6902 2.6902 2.9546 2.9546 4.8275 4.8275 6.1296 6.1296 11.0774 11.0774 14.6241 14.6241 15.6031 15.6031 16.8190 16.8190 21.2682 21.2682 k = 0.0000 0.3036 0.2672 ( 1186 PWs) bands (ev): -2.0480 -2.0480 1.3648 1.3648 1.8203 1.8203 2.3680 2.3680 2.6928 2.6928 2.9583 2.9583 4.7165 4.7165 6.3014 6.3014 11.2337 11.2337 14.6253 14.6253 15.5045 15.5045 16.7644 16.7644 21.3872 21.3872 k = 0.0000 0.2946 0.2672 ( 1194 PWs) bands (ev): -2.1146 -2.1146 1.3615 1.3615 1.8152 1.8152 2.3706 2.3706 2.6953 2.6953 2.9623 2.9623 4.6070 4.6070 6.4796 6.4796 11.3848 11.3848 14.6355 14.6355 15.4069 15.4069 16.7092 16.7092 21.3847 21.3847 k = 0.0000 0.2857 0.2672 ( 1198 PWs) bands (ev): -2.1810 -2.1810 1.3580 1.3580 1.8095 1.8095 2.3738 2.3738 2.6978 2.6978 2.9666 2.9666 4.4995 4.4995 6.6636 6.6636 11.5292 11.5292 14.6561 14.6561 15.3107 15.3107 16.6538 16.6538 21.3642 21.3642 k = 0.0000 0.2768 0.2672 ( 1198 PWs) bands (ev): -2.2469 -2.2469 1.3544 1.3544 1.8032 1.8032 2.3775 2.3775 2.7003 2.7003 2.9712 2.9712 4.3942 4.3942 6.8529 6.8529 11.6654 11.6654 14.6884 14.6884 15.2163 15.2163 16.5982 16.5982 21.3310 21.3310 k = 0.0000 0.2678 0.2672 ( 1194 PWs) bands (ev): -2.3121 -2.3121 1.3507 1.3507 1.7962 1.7962 2.3817 2.3817 2.7027 2.7027 2.9761 2.9761 4.2914 4.2914 7.0472 7.0472 11.7918 11.7918 14.7332 14.7332 15.1246 15.1246 16.5428 16.5428 21.2887 21.2887 k = 0.0000 0.2589 0.2672 ( 1194 PWs) bands (ev): -2.3764 -2.3764 1.3469 1.3469 1.7886 1.7886 2.3865 2.3865 2.7050 2.7050 2.9813 2.9813 4.1913 4.1913 7.2462 7.2462 11.9071 11.9071 14.7894 14.7894 15.0383 15.0383 16.4877 16.4877 21.2401 21.2401 k = 0.0000 0.2500 0.2672 ( 1194 PWs) bands (ev): -2.4397 -2.4397 1.3430 1.3430 1.7805 1.7805 2.3918 2.3918 2.7072 2.7072 2.9868 2.9868 4.0940 4.0940 7.4495 7.4495 12.0104 12.0104 14.8421 14.8421 14.9736 14.9736 16.4331 16.4331 21.1871 21.1871 k = 0.0000 0.2411 0.2672 ( 1194 PWs) bands (ev): -2.5017 -2.5017 1.3391 1.3391 1.7717 1.7717 2.3976 2.3976 2.7092 2.7092 2.9925 2.9925 3.9996 3.9996 7.6568 7.6568 12.1009 12.1009 14.8194 14.8194 15.0030 15.0030 16.3792 16.3792 21.1310 21.1310 k = 0.0000 0.2321 0.2672 ( 1194 PWs) bands (ev): -2.5624 -2.5624 1.3351 1.3351 1.7624 1.7624 2.4039 2.4039 2.7112 2.7112 2.9984 2.9984 3.9082 3.9082 7.8678 7.8678 12.1786 12.1786 14.7455 14.7455 15.1026 15.1026 16.3262 16.3262 21.0729 21.0729 k = 0.0000 0.2232 0.2672 ( 1194 PWs) bands (ev): -2.6215 -2.6215 1.3310 1.3310 1.7526 1.7526 2.4106 2.4106 2.7131 2.7131 3.0045 3.0045 3.8200 3.8200 8.0823 8.0823 12.2438 12.2438 14.6655 14.6655 15.2272 15.2272 16.2743 16.2743 21.0132 21.0132 k = 0.0000 0.2143 0.2672 ( 1196 PWs) bands (ev): -2.6790 -2.6790 1.3269 1.3269 1.7425 1.7425 2.4177 2.4177 2.7149 2.7149 3.0107 3.0107 3.7349 3.7349 8.2999 8.2999 12.2973 12.2973 14.5857 14.5857 15.3695 15.3695 16.2236 16.2236 20.9523 20.9523 k = 0.0000 0.2053 0.2672 ( 1192 PWs) bands (ev): -2.7347 -2.7347 1.3228 1.3228 1.7319 1.7319 2.4251 2.4251 2.7165 2.7165 3.0171 3.0171 3.6532 3.6532 8.5204 8.5204 12.3402 12.3402 14.5077 14.5077 15.5270 15.5270 16.1745 16.1745 20.8902 20.8902 k = 0.0000 0.1964 0.2672 ( 1188 PWs) bands (ev): -2.7886 -2.7886 1.3186 1.3186 1.7211 1.7211 2.4328 2.4328 2.7181 2.7181 3.0235 3.0235 3.5749 3.5749 8.7433 8.7433 12.3737 12.3737 14.4319 14.4319 15.6976 15.6976 16.1273 16.1273 20.8267 20.8267 k = 0.0000 0.1875 0.2672 ( 1188 PWs) bands (ev): -2.8406 -2.8406 1.3145 1.3145 1.7101 1.7101 2.4406 2.4406 2.7196 2.7196 3.0300 3.0300 3.5001 3.5001 8.9684 8.9684 12.3992 12.3992 14.3587 14.3587 15.8776 15.8776 16.0845 16.0845 20.7615 20.7615 k = 0.0000 0.1786 0.2672 ( 1188 PWs) bands (ev): -2.8906 -2.8906 1.3103 1.3103 1.6989 1.6989 2.4486 2.4486 2.7210 2.7210 3.0364 3.0364 3.4287 3.4287 9.1952 9.1952 12.4180 12.4180 14.2882 14.2882 16.0108 16.0108 16.1008 16.1008 20.6939 20.6939 k = 0.0000 0.1696 0.2672 ( 1188 PWs) bands (ev): -2.9384 -2.9384 1.3062 1.3062 1.6877 1.6877 2.4566 2.4566 2.7223 2.7223 3.0427 3.0427 3.3610 3.3610 9.4234 9.4234 12.4313 12.4313 14.2206 14.2206 15.9839 15.9839 16.2885 16.2885 20.6229 20.6229 k = 0.0000 0.1607 0.2672 ( 1194 PWs) bands (ev): -2.9842 -2.9842 1.3021 1.3021 1.6765 1.6765 2.4645 2.4645 2.7236 2.7236 3.0487 3.0487 3.2970 3.2970 9.6523 9.6523 12.4402 12.4402 14.1560 14.1560 15.9446 15.9446 16.4985 16.4985 20.5471 20.5471 k = 0.0000 0.1518 0.2672 ( 1194 PWs) bands (ev): -3.0277 -3.0277 1.2980 1.2980 1.6654 1.6654 2.4724 2.4724 2.7248 2.7248 3.0541 3.0541 3.2370 3.2370 9.8815 9.8815 12.4458 12.4458 14.0945 14.0945 15.9060 15.9060 16.7170 16.7170 20.4644 20.4644 k = 0.0000 0.1429 0.2672 ( 1194 PWs) bands (ev): -3.0690 -3.0690 1.2940 1.2940 1.6545 1.6545 2.4801 2.4801 2.7259 2.7259 3.0584 3.0584 3.1816 3.1816 10.1103 10.1103 12.4490 12.4490 14.0362 14.0362 15.8691 15.8691 16.9419 16.9419 20.3724 20.3724 k = 0.0000 0.1339 0.2672 ( 1194 PWs) bands (ev): -3.1080 -3.1080 1.2901 1.2901 1.6438 1.6438 2.4876 2.4876 2.7270 2.7270 3.0591 3.0591 3.1333 3.1333 10.3379 10.3379 12.4506 12.4506 13.9812 13.9812 15.8341 15.8341 17.1721 17.1721 20.2680 20.2680 k = 0.0000 0.1250 0.2672 ( 1186 PWs) bands (ev): -3.1446 -3.1446 1.2863 1.2863 1.6335 1.6335 2.4947 2.4947 2.7281 2.7281 3.0467 3.0467 3.1015 3.1015 10.5632 10.5632 12.4515 12.4515 13.9296 13.9296 15.8013 15.8013 17.4066 17.4066 20.1478 20.1478 k = 0.0000 0.1161 0.2672 ( 1190 PWs) bands (ev): -3.1788 -3.1788 1.2826 1.2826 1.6235 1.6235 2.5015 2.5015 2.7291 2.7291 3.0136 3.0136 3.0936 3.0936 10.7851 10.7851 12.4525 12.4525 13.8815 13.8815 15.7709 15.7709 17.6446 17.6446 20.0094 20.0094 k = 0.0000 0.1071 0.2672 ( 1194 PWs) bands (ev): -3.2107 -3.2107 1.2791 1.2791 1.6140 1.6140 2.5079 2.5079 2.7301 2.7301 2.9747 2.9747 3.0950 3.0950 11.0019 11.0019 12.4546 12.4546 13.8371 13.8371 15.7428 15.7428 17.8851 17.8851 19.8521 19.8521 k = 0.0000 0.0982 0.2672 ( 1198 PWs) bands (ev): -3.2401 -3.2401 1.2757 1.2757 1.6050 1.6050 2.5139 2.5139 2.7310 2.7310 2.9370 2.9370 3.0985 3.0985 11.2116 11.2116 12.4589 12.4589 13.7964 13.7964 15.7173 15.7173 18.1271 18.1271 19.6775 19.6775 k = 0.0000 0.0893 0.2672 ( 1202 PWs) bands (ev): -3.2670 -3.2670 1.2725 1.2725 1.5966 1.5966 2.5193 2.5193 2.7318 2.7318 2.9021 2.9021 3.1025 3.1025 11.4113 11.4113 12.4671 12.4671 13.7595 13.7595 15.6943 15.6943 18.3696 18.3696 19.4899 19.4899 k = 0.0000 0.0804 0.2672 ( 1202 PWs) bands (ev): -3.2914 -3.2914 1.2695 1.2695 1.5888 1.5888 2.5242 2.5242 2.7326 2.7326 2.8704 2.8704 3.1064 3.1064 11.5972 11.5972 12.4815 12.4815 13.7267 13.7267 15.6741 15.6741 18.6111 18.6111 19.2948 19.2948 k = 0.0000 0.0714 0.2672 ( 1202 PWs) bands (ev): -3.3133 -3.3133 1.2667 1.2667 1.5817 1.5817 2.5286 2.5286 2.7332 2.7332 2.8422 2.8422 3.1102 3.1102 11.7638 11.7638 12.5056 12.5056 13.6980 13.6980 15.6566 15.6566 18.8499 18.8499 19.0983 19.0983 k = 0.0000 0.0625 0.2672 ( 1202 PWs) bands (ev): -3.3326 -3.3326 1.2642 1.2642 1.5754 1.5754 2.5323 2.5323 2.7337 2.7337 2.8176 2.8176 3.1136 3.1136 11.9046 11.9046 12.5436 12.5436 13.6736 13.6736 15.6420 15.6420 18.9062 18.9062 19.0840 19.0840 k = 0.0000 0.0536 0.2672 ( 1202 PWs) bands (ev): -3.3495 -3.3495 1.2619 1.2619 1.5698 1.5698 2.5355 2.5355 2.7339 2.7339 2.7965 2.7965 3.1167 3.1167 12.0136 12.0136 12.5985 12.5985 13.6537 13.6537 15.6301 15.6301 18.7241 18.7241 19.3102 19.3102 k = 0.0000 0.0446 0.2672 ( 1202 PWs) bands (ev): -3.3637 -3.3637 1.2600 1.2600 1.5650 1.5650 2.5381 2.5381 2.7338 2.7338 2.7792 2.7792 3.1194 3.1194 12.0899 12.0899 12.6684 12.6684 13.6384 13.6384 15.6208 15.6208 18.5574 18.5574 19.5244 19.5244 k = 0.0000 0.0357 0.2672 ( 1206 PWs) bands (ev): -3.3754 -3.3754 1.2584 1.2584 1.5610 1.5610 2.5401 2.5401 2.7330 2.7330 2.7658 2.7658 3.1216 3.1216 12.1389 12.1389 12.7443 12.7443 13.6275 13.6275 15.6141 15.6141 18.4114 18.4114 19.7207 19.7207 k = 0.0000 0.0268 0.2672 ( 1206 PWs) bands (ev): -3.3845 -3.3845 1.2571 1.2571 1.5579 1.5579 2.5416 2.5416 2.7314 2.7314 2.7565 2.7565 3.1233 3.1233 12.1688 12.1688 12.8149 12.8149 13.6207 13.6207 15.6096 15.6096 18.2911 18.2911 19.8914 19.8914 k = 0.0000 0.0179 0.2672 ( 1196 PWs) bands (ev): -3.3910 -3.3910 1.2562 1.2562 1.5557 1.5557 2.5427 2.5427 2.7291 2.7291 2.7510 2.7510 3.1246 3.1246 12.1862 12.1862 12.8710 12.8710 13.6172 13.6172 15.6068 15.6068 18.2011 18.2011 20.0262 20.0262 k = 0.0000 0.0089 0.2672 ( 1196 PWs) bands (ev): -3.3948 -3.3948 1.2556 1.2556 1.5544 1.5544 2.5433 2.5433 2.7271 2.7271 2.7485 2.7485 3.1253 3.1253 12.1952 12.1952 12.9067 12.9067 13.6159 13.6159 15.6053 15.6053 18.1453 18.1453 20.1137 20.1137 k = 0.0000 0.0000 0.2672 ( 1196 PWs) bands (ev): -3.3961 -3.3961 1.2555 1.2555 1.5539 1.5539 2.5435 2.5435 2.7263 2.7263 2.7477 2.7477 3.1256 3.1256 12.1980 12.1980 12.9189 12.9189 13.6156 13.6156 15.6049 15.6049 18.1264 18.1264 20.1442 20.1442 k = 0.0000 0.4643-0.0000 ( 1176 PWs) bands (ev): -1.3979 -1.3979 1.4331 1.4331 1.6570 1.6570 2.4850 2.4850 2.6680 2.6680 2.9375 2.9375 4.4643 4.4643 7.9513 7.9513 10.4117 10.4117 11.0018 11.0018 13.4165 13.4165 17.1976 17.1976 23.0600 23.0600 k = 0.0000 0.4643 0.0089 ( 1176 PWs) bands (ev): -1.3983 -1.3966 1.4320 1.4337 1.6432 1.6710 2.4642 2.5073 2.6674 2.6687 2.9353 2.9401 4.4569 4.4697 7.9412 7.9441 10.4177 10.4314 10.9889 10.9949 13.4273 13.4333 17.1978 17.1982 23.0558 23.0576 k = 0.0000 0.4643 0.0178 ( 1176 PWs) bands (ev): -1.3979 -1.3945 1.4303 1.4338 1.6301 1.6850 2.4450 2.5307 2.6670 2.6698 2.9332 2.9428 4.4475 4.4732 7.9145 7.9200 10.4476 10.4767 10.9561 10.9704 13.4651 13.4768 17.1987 17.1996 23.0442 23.0481 k = 0.0000 0.4643 0.0267 ( 1180 PWs) bands (ev): -1.3966 -1.3915 1.4278 1.4334 1.6177 1.6988 2.4277 2.5548 2.6667 2.6715 2.9314 2.9458 4.4363 4.4749 7.8729 7.8807 10.4963 10.5461 10.9051 10.9337 13.5280 13.5451 17.2004 17.2018 23.0242 23.0308 k = 0.0000 0.4643 0.0356 ( 1180 PWs) bands (ev): -1.3944 -1.3878 1.4247 1.4327 1.6064 1.7124 2.4122 2.5787 2.6665 2.6741 2.9299 2.9489 4.4233 4.4749 7.8187 7.8287 10.5521 10.6371 10.8389 10.8970 13.6131 13.6350 17.2029 17.2047 22.9935 23.0038 k = 0.0000 0.4643 0.0445 ( 1186 PWs) bands (ev): -1.3915 -1.3832 1.4209 1.4317 1.5964 1.7255 2.3985 2.6013 2.6664 2.6785 2.9287 2.9522 4.4087 4.4733 7.7548 7.7665 10.5868 10.7378 10.7697 10.8890 13.7172 13.7436 17.2061 17.2084 22.9486 22.9640 k = 0.0000 0.4643 0.0534 ( 1186 PWs) bands (ev): -1.3877 -1.3780 1.4164 1.4304 1.5879 1.7381 2.3866 2.6207 2.6662 2.6861 2.9277 2.9556 4.3929 4.4705 7.6837 7.6969 10.5668 10.6683 10.8777 10.9434 13.8373 13.8677 17.2100 17.2128 22.8852 22.9074 k = 0.0000 0.4643 0.0624 ( 1190 PWs) bands (ev): -1.3832 -1.3721 1.4114 1.4289 1.5809 1.7503 2.3761 2.6349 2.6661 2.6985 2.9270 2.9590 4.3760 4.4666 7.6076 7.6222 10.5024 10.5729 11.0188 11.0501 13.9707 14.0048 17.2145 17.2178 22.7979 22.8285 k = 0.0000 0.4643 0.0713 ( 1190 PWs) bands (ev): -1.3780 -1.3656 1.4060 1.4273 1.5755 1.7622 2.3668 2.6435 2.6661 2.7154 2.9267 2.9623 4.3585 4.4619 7.5286 7.5444 10.4173 10.4724 11.1726 11.1853 14.1152 14.1526 17.2196 17.2236 22.6822 22.7222 k = 0.0000 0.4643 0.0802 ( 1190 PWs) bands (ev): -1.3722 -1.3585 1.4004 1.4255 1.5717 1.7738 2.3583 2.6484 2.6660 2.7344 2.9266 2.9656 4.3409 4.4568 7.4481 7.4651 10.3229 10.3689 11.3368 11.3379 14.2687 14.3092 17.2253 17.2300 22.5365 22.5854 k = 0.0000 0.4643 0.0891 ( 1190 PWs) bands (ev): -1.3658 -1.3510 1.3949 1.4237 1.5694 1.7853 2.3504 2.6512 2.6659 2.7533 2.9267 2.9686 4.3237 4.4516 7.3675 7.3856 10.2242 10.2640 11.5026 11.5100 14.4296 14.4730 17.2315 17.2370 22.3628 22.4191 k = 0.0000 0.4643 0.0980 ( 1192 PWs) bands (ev): -1.3589 -1.3432 1.3897 1.4218 1.5686 1.7970 2.3425 2.6529 2.6658 2.7705 2.9271 2.9712 4.3076 4.4466 7.2877 7.3070 10.1238 10.1590 11.6769 11.6908 14.5966 14.6427 17.2382 17.2446 22.1661 22.2275 k = 0.0000 0.4643 0.1069 ( 1188 PWs) bands (ev): -1.3515 -1.3350 1.3850 1.4200 1.5692 1.8090 2.3344 2.6540 2.6656 2.7851 2.9274 2.9734 4.2932 4.4423 7.2096 7.2299 10.0234 10.0550 11.8589 11.8782 14.7685 14.8170 17.2452 17.2527 21.9522 22.0168 k = 0.0000 0.4643 0.1158 ( 1184 PWs) bands (ev): -1.3438 -1.3267 1.3810 1.4182 1.5712 1.8215 2.3257 2.6546 2.6655 2.7963 2.9276 2.9750 4.2812 4.4389 7.1336 7.1550 9.9243 9.9529 12.0472 12.0712 14.9442 14.9949 17.2526 17.2614 21.7268 21.7927 k = 0.0000 0.4643 0.1247 ( 1184 PWs) bands (ev): -1.3359 -1.3182 1.3777 1.4164 1.5745 1.8348 2.3160 2.6550 2.6653 2.8037 2.9273 2.9759 4.2721 4.4366 7.0603 7.0827 9.8273 9.8533 12.2408 12.2689 15.1226 15.1753 17.2603 17.2707 21.4943 21.5601 k = 0.0000 0.4643 0.1336 ( 1184 PWs) bands (ev): -1.3277 -1.3098 1.3753 1.4148 1.5792 1.8488 2.3052 2.6551 2.6650 2.8069 2.9264 2.9761 4.2665 4.4358 6.9900 7.0133 9.7333 9.7570 12.4388 12.4706 15.3026 15.3571 17.2683 17.2805 21.2585 21.3231 k = 0.0000 0.4643 0.1425 ( 1184 PWs) bands (ev): -1.3194 -1.3015 1.3737 1.4133 1.5854 1.8639 2.2930 2.6550 2.6648 2.8056 2.9248 2.9756 4.2649 4.4366 6.9229 6.9470 9.6429 9.6645 12.6402 12.6754 15.4831 15.5390 17.2763 17.2911 21.0225 21.0849 k = 0.0000 0.4643 0.1514 ( 1186 PWs) bands (ev): -1.3111 -1.2933 1.3731 1.4119 1.5930 1.8799 2.2793 2.6547 2.6645 2.7994 2.9228 2.9743 4.2673 4.4390 6.8592 6.8840 9.5567 9.5763 12.8443 12.8825 15.6628 15.7195 17.2845 17.3024 20.7893 20.8484 k = 0.0000 0.4643 0.1603 ( 1188 PWs) bands (ev): -1.3029 -1.2854 1.3732 1.4106 1.6023 1.8967 2.2644 2.6541 2.6643 2.7880 2.9206 2.9723 4.2739 4.4429 6.7992 6.8244 9.4751 9.4928 13.0501 13.0911 15.8400 15.8969 17.2928 17.3147 20.5617 20.6167 k = 0.0000 0.4643 0.1692 ( 1188 PWs) bands (ev): -1.2949 -1.2779 1.3741 1.4094 1.6133 1.9143 2.2484 2.6530 2.6640 2.7715 2.9187 2.9697 4.2844 4.4483 6.7429 6.7683 9.3985 9.4145 13.2567 13.3001 16.0128 16.0688 17.3012 17.3282 20.3428 20.3928 k = 0.0000 0.4643 0.1782 ( 1196 PWs) bands (ev): -1.2871 -1.2709 1.3755 1.4084 1.6261 1.9320 2.2321 2.6512 2.6637 2.7504 2.9173 2.9665 4.2983 4.4547 6.6906 6.7158 9.3274 9.3418 13.4631 13.5084 16.1785 16.2324 17.3096 17.3432 20.1362 20.1802 k = 0.0000 0.4643 0.1871 ( 1196 PWs) bands (ev): -1.2797 -1.2644 1.3774 1.4074 1.6409 1.9489 2.2164 2.6476 2.6634 2.7260 2.9164 2.9630 4.3151 4.4619 6.6424 6.6672 9.2621 9.2749 13.6678 13.7147 16.3341 16.3840 17.3180 17.3601 19.9463 19.9834 k = 0.0000 0.4643 0.1960 ( 1200 PWs) bands (ev): -1.2726 -1.2585 1.3796 1.4064 1.6576 1.9634 2.2032 2.6400 2.6632 2.7015 2.9162 2.9591 4.3342 4.4694 6.5986 6.6224 9.2030 9.2142 13.8694 13.9173 16.4754 16.5192 17.3264 17.3789 19.7781 19.8079 k = 0.0000 0.4643 0.2049 ( 1202 PWs) bands (ev): -1.2661 -1.2533 1.3820 1.4055 1.6763 1.9732 2.1951 2.6230 2.6630 2.6827 2.9164 2.9550 4.3548 4.4767 6.5594 6.5817 9.1502 9.1600 14.0658 14.1139 16.5980 16.6335 17.3350 17.3988 19.6380 19.6602 k = 0.0000 0.4643 0.2138 ( 1200 PWs) bands (ev): -1.2601 -1.2488 1.3845 1.4046 1.6969 1.9756 2.1949 2.5943 2.6628 2.6729 2.9171 2.9509 4.3760 4.4832 6.5250 6.5454 9.1040 9.1124 14.2544 14.3016 16.6971 16.7231 17.3435 17.4177 19.5325 19.5478 k = 0.0000 0.4643 0.2227 ( 1204 PWs) bands (ev): -1.2548 -1.2451 1.3870 1.4036 1.7195 1.9691 2.2045 2.5583 2.6627 2.6684 2.9183 2.9468 4.3971 4.4883 6.4956 6.5137 9.0647 9.0717 14.4316 14.4766 16.7692 16.7862 17.3520 17.4321 19.4676 19.4781 k = 0.0000 0.4643 0.2316 ( 1200 PWs) bands (ev): -1.2501 -1.2422 1.3893 1.4026 1.7438 1.9543 2.2234 2.5189 2.6626 2.6661 2.9198 2.9428 4.4174 4.4916 6.4716 6.4868 9.0325 9.0380 14.5930 14.6339 16.8135 16.8240 17.3604 17.4387 19.4471 19.4554 k = 0.0000 0.4643 0.2405 ( 1204 PWs) bands (ev): -1.2462 -1.2402 1.3916 1.4015 1.7697 1.9334 2.2497 2.4778 2.6626 2.6647 2.9216 2.9390 4.4361 4.4925 6.4532 6.4650 9.0074 9.0115 14.7327 14.7671 16.8339 16.8408 17.3690 17.4362 19.4701 19.4792 k = 0.0000 0.4643 0.2494 ( 1200 PWs) bands (ev): -1.2431 -1.2390 1.3937 1.4002 1.7968 1.9085 2.2813 2.4362 2.6626 2.6639 2.9238 2.9354 4.4527 4.4906 6.4405 6.4486 8.9896 8.9923 14.8433 14.8685 16.8380 16.8430 17.3782 17.4268 19.5293 19.5406 k = 0.0000 0.4643 0.2583 ( 1208 PWs) bands (ev): -1.2408 -1.2387 1.3956 1.3988 1.8249 1.8814 2.3168 2.3951 2.6628 2.6634 2.9262 2.9321 4.4667 4.4858 6.4337 6.4378 8.9791 8.9805 14.9171 14.9305 16.8357 16.8386 17.3887 17.4139 19.6064 19.6172 k = 0.0000 0.4643 0.2672 ( 1208 PWs) bands (ev): -1.2393 -1.2393 1.3973 1.3973 1.8533 1.8533 2.3550 2.3550 2.6630 2.6630 2.9290 2.9290 4.4778 4.4778 6.4328 6.4328 8.9761 8.9761 14.9473 14.9473 16.8350 16.8350 17.4007 17.4007 19.6540 19.6540 k = 0.5000-0.0000 0.2672 ( 1192 PWs) bands (ev): -0.0209 -0.0209 1.4633 1.4633 1.7424 1.7424 2.2372 2.2372 2.5565 2.5565 2.7813 2.7813 4.5195 4.5195 7.5099 7.5099 9.4342 9.4342 15.4629 15.4629 16.5777 16.5777 17.6184 17.6184 18.9099 18.9099 k = 0.5000-0.0000 0.2583 ( 1192 PWs) bands (ev): -0.0240 -0.0219 1.4627 1.4655 1.7404 1.7448 2.2388 2.2394 2.5534 2.5607 2.7752 2.7881 4.5173 4.5177 7.5104 7.5111 9.4378 9.4381 15.4340 15.4851 16.4721 16.5732 17.6513 17.7077 18.8780 18.8786 k = 0.5000-0.0000 0.2494 ( 1196 PWs) bands (ev): -0.0311 -0.0269 1.4637 1.4692 1.7391 1.7476 2.2443 2.2452 2.5513 2.5664 2.7699 2.7959 4.5113 4.5121 7.5127 7.5140 9.4489 9.4495 15.3949 15.5025 16.2947 16.4758 17.7923 17.8784 18.7901 18.7911 k = 0.5000-0.0000 0.2405 ( 1192 PWs) bands (ev): -0.0420 -0.0359 1.4664 1.4744 1.7383 1.7506 2.2535 2.2545 2.5503 2.5736 2.7651 2.8047 4.5015 4.5027 7.5167 7.5187 9.4675 9.4683 15.3405 15.5159 16.0841 16.3375 17.9931 18.0905 18.6622 18.6634 k = 0.5000-0.0000 0.2316 ( 1190 PWs) bands (ev): -0.0564 -0.0487 1.4707 1.4808 1.7381 1.7538 2.2661 2.2667 2.5502 2.5828 2.7608 2.8149 4.4881 4.4896 7.5225 7.5251 9.4933 9.4944 15.2644 15.5236 15.8619 16.1964 18.2162 18.3145 18.5148 18.5191 k = 0.5000-0.0000 0.2227 ( 1194 PWs) bands (ev): -0.0740 -0.0648 1.4766 1.4883 1.7384 1.7570 2.2814 2.2814 2.5510 2.5944 2.7570 2.8265 4.4712 4.4731 7.5301 7.5334 9.5261 9.5274 15.1601 15.5055 15.6579 16.0731 18.2963 18.3125 18.5089 18.5969 k = 0.5000-0.0000 0.2138 ( 1190 PWs) bands (ev): -0.0944 -0.0839 1.4838 1.4968 1.7391 1.7600 2.2979 2.2988 2.5529 2.6090 2.7536 2.8400 4.4511 4.4533 7.5396 7.5434 9.5657 9.5673 15.0254 15.3515 15.5870 15.9766 18.1306 18.1365 18.7468 18.8464 k = 0.5000-0.0000 0.2049 ( 1190 PWs) bands (ev): -0.1171 -0.1056 1.4923 1.5062 1.7401 1.7627 2.3154 2.3173 2.5559 2.6270 2.7507 2.8556 4.4280 4.4305 7.5508 7.5552 9.6118 9.6136 14.8640 15.1269 15.5866 15.9069 17.9441 17.9487 19.0036 19.1067 k = 0.5000-0.0000 0.1960 ( 1194 PWs) bands (ev): -0.1416 -0.1294 1.5019 1.5162 1.7414 1.7652 2.3334 2.3359 2.5599 2.6489 2.7485 2.8736 4.4022 4.4049 7.5640 7.5688 9.6640 9.6660 14.6832 14.8959 15.5942 15.8587 17.7528 17.7568 19.2636 19.3702 k = 0.5000-0.0000 0.1871 ( 1194 PWs) bands (ev): -0.1677 -0.1549 1.5125 1.5269 1.7429 1.7672 2.3509 2.3537 2.5652 2.6745 2.7473 2.8942 4.3741 4.3770 7.5790 7.5843 9.7220 9.7242 14.4901 14.6658 15.6036 15.8258 17.5598 17.5636 19.5229 19.6344 k = 0.5000-0.0000 0.1782 ( 1192 PWs) bands (ev): -0.1947 -0.1817 1.5239 1.5382 1.7444 1.7690 2.3672 2.3700 2.5715 2.7021 2.7492 2.9178 4.3440 4.3470 7.5959 7.6016 9.7853 9.7877 14.2905 14.4386 15.6137 15.8035 17.3669 17.3705 19.7790 19.8966 k = 0.5000-0.0000 0.1692 ( 1200 PWs) bands (ev): -0.2225 -0.2094 1.5360 1.5499 1.7461 1.7704 2.3820 2.3844 2.5788 2.7225 2.7631 2.9444 4.3122 4.3153 7.6148 7.6208 9.8535 9.8560 14.0882 14.2153 15.6241 15.7884 17.1752 17.1788 20.0288 20.1542 k = 0.5000-0.0000 0.1603 ( 1200 PWs) bands (ev): -0.2505 -0.2375 1.5486 1.5620 1.7477 1.7715 2.3949 2.3968 2.5869 2.7283 2.7958 2.9740 4.2790 4.2821 7.6356 7.6418 9.9261 9.9287 13.8861 13.9968 15.6345 15.7785 16.9857 16.9893 20.2685 20.4033 k = 0.5000-0.0000 0.1514 ( 1198 PWs) bands (ev): -0.2785 -0.2657 1.5617 1.5745 1.7493 1.7722 2.4059 2.4072 2.5954 2.7287 2.8376 3.0064 4.2449 4.2480 7.6582 7.6647 10.0025 10.0053 13.6861 13.7835 15.6448 15.7720 16.7991 16.8027 20.4934 20.6383 k = 0.5000-0.0000 0.1425 ( 1198 PWs) bands (ev): -0.3062 -0.2937 1.5751 1.5871 1.7508 1.7728 2.4150 2.4160 2.6042 2.7278 2.8835 3.0413 4.2102 4.2131 7.6827 7.6892 10.0823 10.0851 13.4896 13.5761 15.6550 15.7681 16.6162 16.6197 20.6974 20.8515 k = 0.5000-0.0000 0.1336 ( 1194 PWs) bands (ev): -0.3332 -0.3212 1.5887 1.5999 1.7523 1.7731 2.4225 2.4233 2.6129 2.7265 2.9316 3.0782 4.1752 4.1779 7.7090 7.7155 10.1648 10.1678 13.2979 13.3752 15.6648 15.7658 16.4375 16.4412 20.8736 21.0326 k = 0.5000-0.0000 0.1247 ( 1198 PWs) bands (ev): -0.3594 -0.3480 1.6024 1.6127 1.7537 1.7731 2.4286 2.4295 2.6213 2.7250 2.9810 3.1165 4.1404 4.1427 7.7369 7.7433 10.2495 10.2525 13.1119 13.1812 15.6737 15.7643 16.2642 16.2680 21.0161 21.1718 k = 0.5000-0.0000 0.1158 ( 1192 PWs) bands (ev): -0.3846 -0.3737 1.6160 1.6255 1.7551 1.7731 2.4335 2.4346 2.6293 2.7235 3.0307 3.1555 4.1059 4.1079 7.7662 7.7725 10.3356 10.3386 12.9326 12.9948 15.6811 15.7623 16.0977 16.1015 21.1226 21.2662 k = 0.5000-0.0000 0.1069 ( 1192 PWs) bands (ev): -0.4085 -0.3983 1.6294 1.6381 1.7563 1.7728 2.4376 2.4389 2.6369 2.7219 3.0801 3.1945 4.0722 4.0737 7.7968 7.8028 10.4223 10.4255 12.7608 12.8167 15.6840 15.7556 15.9425 15.9452 21.1964 21.3221 k = 0.5000-0.0000 0.0980 ( 1192 PWs) bands (ev): -0.4310 -0.4215 1.6425 1.6504 1.7575 1.7724 2.4409 2.4425 2.6440 2.7203 3.1285 3.2330 4.0396 4.0405 7.8283 7.8340 10.5090 10.5122 12.5975 12.6475 15.6685 15.7170 15.8136 15.8263 21.2438 21.3504 k = 0.5000-0.0000 0.0891 ( 1196 PWs) bands (ev): -0.4520 -0.4432 1.6551 1.6623 1.7586 1.7719 2.4437 2.4456 2.6506 2.7187 3.1753 3.2703 4.0084 4.0087 7.8604 7.8657 10.5946 10.5978 12.4434 12.4879 15.5876 15.6018 15.7548 15.7946 21.2723 21.3612 k = 0.5000-0.0000 0.0802 ( 1196 PWs) bands (ev): -0.4712 -0.4633 1.6672 1.6736 1.7596 1.7713 2.4461 2.4481 2.6568 2.7171 3.2199 3.3057 3.9785 3.9789 7.8925 7.8973 10.6782 10.6815 12.2996 12.3389 15.4631 15.4683 15.7474 15.7897 21.2879 21.3616 k = 0.5000-0.0000 0.0713 ( 1196 PWs) bands (ev): -0.4887 -0.4816 1.6785 1.6843 1.7605 1.7707 2.4480 2.4502 2.6626 2.7154 3.2619 3.3387 3.9502 3.9513 7.9242 7.9285 10.7586 10.7619 12.1669 12.2013 15.3372 15.3398 15.7505 15.7893 21.2953 21.3561 k = 0.5000-0.0000 0.0624 ( 1196 PWs) bands (ev): -0.5042 -0.4980 1.6889 1.6941 1.7613 1.7699 2.4497 2.4520 2.6679 2.7136 3.3008 3.3687 3.9242 3.9260 7.9548 7.9586 10.8347 10.8380 12.0463 12.0759 15.2192 15.2206 15.7559 15.7900 21.2977 21.3475 k = 0.5000-0.0000 0.0534 ( 1196 PWs) bands (ev): -0.5178 -0.5124 1.6984 1.7030 1.7620 1.7691 2.4512 2.4534 2.6730 2.7117 3.3363 3.3953 3.9008 3.9031 7.9835 7.9868 10.9051 10.9084 11.9390 11.9639 15.1120 15.1129 15.7617 15.7909 21.2972 21.3376 k = 0.5000-0.0000 0.0445 ( 1194 PWs) bands (ev): -0.5293 -0.5248 1.7067 1.7108 1.7626 1.7682 2.4524 2.4544 2.6777 2.7097 3.3680 3.4179 3.8804 3.8830 8.0098 8.0124 10.9685 10.9716 11.8458 11.8662 15.0176 15.0181 15.7675 15.7916 21.2954 21.3275 k = 0.5000-0.0000 0.0356 ( 1194 PWs) bands (ev): -0.5387 -0.5351 1.7139 1.7173 1.7631 1.7673 2.4535 2.4552 2.6821 2.7075 3.3956 3.4362 3.8631 3.8659 8.0327 8.0348 11.0234 11.0263 11.7679 11.7838 14.9376 14.9380 15.7728 15.7920 21.2933 21.3181 k = 0.5000-0.0000 0.0267 ( 1198 PWs) bands (ev): -0.5460 -0.5433 1.7198 1.7225 1.7635 1.7664 2.4543 2.4557 2.6862 2.7052 3.4187 3.4496 3.8495 3.8521 8.0514 8.0530 11.0684 11.0709 11.7061 11.7177 14.8736 14.8739 15.7776 15.7919 21.2917 21.3097 k = 0.5000-0.0000 0.0178 ( 1194 PWs) bands (ev): -0.5511 -0.5493 1.7243 1.7262 1.7638 1.7657 2.4551 2.4560 2.6900 2.7026 3.4370 3.4580 3.8397 3.8417 8.0655 8.0665 11.1021 11.1040 11.6615 11.6691 14.8269 14.8270 15.7817 15.7912 21.2910 21.3028 k = 0.5000-0.0000 0.0089 ( 1194 PWs) bands (ev): -0.5540 -0.5531 1.7272 1.7282 1.7641 1.7650 2.4556 2.4561 2.6935 2.6998 3.4503 3.4609 3.8340 3.8351 8.0742 8.0747 11.1232 11.1242 11.6350 11.6387 14.7984 14.7984 15.7851 15.7899 21.2916 21.2974 k = 0.5000-0.0000-0.0000 ( 1190 PWs) bands (ev): -0.5546 -0.5546 1.7286 1.7286 1.7645 1.7645 2.4559 2.4559 2.6968 2.6968 3.4584 3.4584 3.8325 3.8325 8.0774 8.0774 11.1307 11.1307 11.6273 11.6273 14.7888 14.7888 15.7879 15.7879 21.2937 21.2937 k = 0.5000 0.4643-0.0000 ( 1204 PWs) bands (ev): 1.2358 1.2358 1.5425 1.5425 1.9055 1.9055 2.1742 2.1742 3.4198 3.4198 3.7847 3.7847 5.7250 5.7250 7.1093 7.1093 10.6500 10.6500 12.2167 12.2167 14.6216 14.6216 15.2889 15.2889 16.3924 16.3924 k = 0.5000 0.4643 0.0089 ( 1200 PWs) bands (ev): 1.2280 1.2451 1.5416 1.5435 1.8916 1.9189 2.1719 2.1763 3.4165 3.4230 3.7784 3.7904 5.7241 5.7269 7.1042 7.1131 10.6384 10.6566 12.2158 12.2184 14.5977 14.6388 15.2766 15.2845 16.3702 16.3911 k = 0.5000 0.4643 0.0178 ( 1200 PWs) bands (ev): 1.2218 1.2561 1.5407 1.5446 1.8771 1.9317 2.1695 2.1784 3.4129 3.4260 3.7716 3.7955 5.7243 5.7298 7.0979 7.1157 10.6221 10.6583 12.2160 12.2211 14.5679 14.6482 15.2483 15.2637 16.3337 16.3720 k = 0.5000 0.4643 0.0267 ( 1204 PWs) bands (ev): 1.2171 1.2687 1.5399 1.5457 1.8622 1.9440 2.1670 2.1805 3.4092 3.4288 3.7644 3.7998 5.7255 5.7338 7.0907 7.1170 10.6013 10.6548 12.2171 12.2247 14.5323 14.6484 15.2055 15.2274 16.2976 16.3490 k = 0.5000 0.4643 0.0356 ( 1204 PWs) bands (ev): 1.2139 1.2828 1.5392 1.5469 1.8468 1.9555 2.1645 2.1827 3.4054 3.4315 3.7567 3.8033 5.7278 5.7387 7.0825 7.1171 10.5764 10.6463 12.2192 12.2292 14.4910 14.6379 15.1500 15.1771 16.2730 16.3332 k = 0.5000 0.4643 0.0445 ( 1204 PWs) bands (ev): 1.2121 1.2985 1.5386 1.5483 1.8311 1.9663 2.1619 2.1850 3.4013 3.4339 3.7484 3.8058 5.7310 5.7446 7.0737 7.1162 10.5478 10.6329 12.2223 12.2346 14.4441 14.6154 15.0840 15.1151 16.2664 16.3309 k = 0.5000 0.4643 0.0534 ( 1200 PWs) bands (ev): 1.2116 1.3156 1.5380 1.5498 1.8151 1.9764 2.1594 2.1876 3.3971 3.4362 3.7395 3.8070 5.7352 5.7514 7.0646 7.1145 10.5159 10.6148 12.2266 12.2410 14.3919 14.5809 15.0096 15.0433 16.2809 16.3453 k = 0.5000 0.4643 0.0624 ( 1200 PWs) bands (ev): 1.2124 1.3339 1.5375 1.5516 1.7989 1.9856 2.1570 2.1907 3.3927 3.4383 3.7300 3.8069 5.7403 5.7591 7.0553 7.1120 10.4810 10.5923 12.2319 12.2484 14.3349 14.5350 14.9288 14.9640 16.3175 16.3776 k = 0.5000 0.4643 0.0713 ( 1200 PWs) bands (ev): 1.2144 1.3533 1.5370 1.5537 1.7825 1.9938 2.1547 2.1946 3.3881 3.4402 3.7197 3.8050 5.7462 5.7675 7.0462 7.1091 10.4437 10.5657 12.2384 12.2568 14.2741 14.4793 14.8432 14.8791 16.3754 16.4276 k = 0.5000 0.4643 0.0802 ( 1196 PWs) bands (ev): 1.2174 1.3735 1.5367 1.5565 1.7660 2.0009 2.1527 2.1994 3.3832 3.4420 3.7087 3.8013 5.7530 5.7766 7.0375 7.1060 10.4043 10.5354 12.2460 12.2662 14.2102 14.4159 14.7543 14.7903 16.4529 16.4946 k = 0.5000 0.4643 0.0891 ( 1196 PWs) bands (ev): 1.2213 1.3940 1.5365 1.5601 1.7495 2.0068 2.1511 2.2053 3.3779 3.4436 3.6968 3.7955 5.7606 5.7862 7.0296 7.1028 10.3632 10.5017 12.2548 12.2766 14.1444 14.3469 14.6634 14.6990 16.5477 16.5772 k = 0.5000 0.4643 0.0980 ( 1192 PWs) bands (ev): 1.2262 1.4142 1.5364 1.5651 1.7332 2.0114 2.1499 2.2126 3.3723 3.4451 3.6842 3.7875 5.7689 5.7964 7.0228 7.0999 10.3209 10.4650 12.2649 12.2881 14.0777 14.2745 14.5714 14.6064 16.6577 16.6741 k = 0.5000 0.4643 0.1069 ( 1192 PWs) bands (ev): 1.2317 1.4333 1.5363 1.5721 1.7171 2.0147 2.1494 2.2213 3.3662 3.4464 3.6707 3.7770 5.7779 5.8070 7.0172 7.0974 10.2777 10.4258 12.2761 12.3006 14.0111 14.2002 14.4793 14.5133 16.7809 16.7834 k = 0.5000 0.4643 0.1158 ( 1192 PWs) bands (ev): 1.2380 1.4500 1.5364 1.5821 1.7014 2.0166 2.1495 2.2317 3.3595 3.4476 3.6566 3.7640 5.7874 5.8179 7.0130 7.0955 10.2341 10.3845 12.2886 12.3143 13.9455 14.1256 14.3877 14.4207 16.9019 16.9151 k = 0.5000 0.4643 0.1247 ( 1196 PWs) bands (ev): 1.2448 1.4634 1.5366 1.5957 1.6861 2.0172 2.1506 2.2435 3.3521 3.4487 3.6419 3.7484 5.7975 5.8289 7.0105 7.0944 10.1903 10.3415 12.3024 12.3290 13.8815 14.0518 14.2972 14.3291 16.9951 17.0281 k = 0.5000 0.4643 0.1336 ( 1196 PWs) bands (ev): 1.2521 1.4729 1.5370 1.6132 1.6717 2.0165 2.1526 2.2569 3.3440 3.4497 3.6268 3.7302 5.8080 5.8400 7.0097 7.0941 10.1468 10.2972 12.3174 12.3448 13.8200 13.9797 14.2084 14.2391 16.9683 16.9856 k = 0.5000 0.4643 0.1425 ( 1200 PWs) bands (ev): 1.2597 1.4786 1.5374 1.6334 1.6588 2.0148 2.1559 2.2715 3.3350 3.4505 3.6116 3.7094 5.8188 5.8511 7.0106 7.0947 10.1039 10.2520 12.3336 12.3617 13.7613 13.9100 14.1217 14.1512 16.9250 16.9388 k = 0.5000 0.4643 0.1514 ( 1200 PWs) bands (ev): 1.2677 1.4810 1.5380 1.6412 1.6619 2.0121 2.1606 2.2871 3.3250 3.4512 3.5966 3.6862 5.8299 5.8619 7.0133 7.0962 10.0621 10.2065 12.3510 12.3795 13.7059 13.8433 14.0377 14.0656 16.8808 16.8925 k = 0.5000 0.4643 0.1603 ( 1192 PWs) bands (ev): 1.2760 1.4808 1.5387 1.6307 1.6859 2.0085 2.1669 2.3035 3.3142 3.4518 3.5820 3.6607 5.8410 5.8725 7.0176 7.0984 10.0217 10.1610 12.3695 12.3983 13.6543 13.7800 13.9566 13.9830 16.8375 16.8476 k = 0.5000 0.4643 0.1692 ( 1196 PWs) bands (ev): 1.2844 1.4784 1.5396 1.6200 1.7119 2.0042 2.1750 2.3201 3.3027 3.4520 3.5681 3.6333 5.8521 5.8826 7.0235 7.1014 9.9831 10.1161 12.3890 12.4179 13.6065 13.7204 13.8790 13.9035 16.7961 16.8048 k = 0.5000 0.4643 0.1782 ( 1200 PWs) bands (ev): 1.2930 1.4742 1.5406 1.6102 1.7381 1.9993 2.1851 2.3367 3.2907 3.4519 3.5551 3.6045 5.8631 5.8921 7.0307 7.1049 9.9467 10.0722 12.4095 12.4382 13.5630 13.6646 13.8053 13.8277 16.7571 16.7646 k = 0.5000 0.4643 0.1871 ( 1200 PWs) bands (ev): 1.3018 1.4685 1.5417 1.6016 1.7637 1.9938 2.1973 2.3525 3.2786 3.4511 3.5433 3.5748 5.8738 5.9010 7.0391 7.1087 9.9129 10.0297 12.4307 12.4589 13.5237 13.6128 13.7360 13.7558 16.7209 16.7274 k = 0.5000 0.4643 0.1960 ( 1200 PWs) bands (ev): 1.3107 1.4616 1.5430 1.5940 1.7882 1.9879 2.2117 2.3671 3.2671 3.4488 3.5326 3.5455 5.8840 5.9091 7.0483 7.1125 9.8822 9.9891 12.4524 12.4798 13.4888 13.5649 13.6719 13.6884 16.6878 16.6934 k = 0.5000 0.4643 0.2049 ( 1196 PWs) bands (ev): 1.3197 1.4536 1.5444 1.5873 1.8111 1.9815 2.2282 2.3796 3.2569 3.4432 3.5188 3.5232 5.8937 5.9163 7.0580 7.1162 9.8549 9.9510 12.4743 12.5004 13.4584 13.5210 13.6136 13.6261 16.6582 16.6629 k = 0.5000 0.4643 0.2138 ( 1196 PWs) bands (ev): 1.3288 1.4449 1.5459 1.5816 1.8323 1.9746 2.2467 2.3895 3.2489 3.4312 3.4985 3.5149 5.9026 5.9225 7.0680 7.1194 9.8315 9.9157 12.4960 12.5203 13.4323 13.4810 13.5620 13.5694 16.6321 16.6361 k = 0.5000 0.4643 0.2227 ( 1196 PWs) bands (ev): 1.3381 1.4356 1.5477 1.5766 1.8515 1.9673 2.2667 2.3960 3.2440 3.4106 3.4872 3.5078 5.9107 5.9276 7.0779 7.1219 9.8122 9.8838 12.5169 12.5388 13.4104 13.4449 13.5177 13.5193 16.6099 16.6131 k = 0.5000 0.4643 0.2316 ( 1196 PWs) bands (ev): 1.3474 1.4260 1.5495 1.5722 1.8689 1.9596 2.2877 2.3986 3.2429 3.3846 3.4825 3.5016 5.9178 5.9316 7.0875 7.1234 9.7973 9.8556 12.5363 12.5552 13.3924 13.4132 13.4769 13.4811 16.5916 16.5941 k = 0.5000 0.4643 0.2405 ( 1200 PWs) bands (ev): 1.3569 1.4161 1.5516 1.5683 1.8846 1.9513 2.3090 2.3969 3.2462 3.3570 3.4812 3.4964 5.9239 5.9343 7.0963 7.1237 9.7872 9.8315 12.5534 12.5685 13.3777 13.3871 13.4438 13.4523 16.5774 16.5792 k = 0.5000 0.4643 0.2494 ( 1200 PWs) bands (ev): 1.3666 1.4061 1.5538 1.5648 1.8986 1.9425 2.3298 2.3908 3.2542 3.3302 3.4816 3.4920 5.9288 5.9358 7.1042 7.1227 9.7821 9.8118 12.5674 12.5780 13.3655 13.3677 13.4215 13.4308 16.5672 16.5684 k = 0.5000 0.4643 0.2583 ( 1196 PWs) bands (ev): 1.3763 1.3961 1.5562 1.5617 1.9112 1.9329 2.3492 2.3805 3.2670 3.3057 3.4830 3.4883 5.9325 5.9360 7.1109 7.1202 9.7819 9.7969 12.5774 12.5828 13.3561 13.3565 13.4105 13.4165 16.5612 16.5618 k = 0.5000 0.4643 0.2672 ( 1200 PWs) bands (ev): 1.3862 1.3862 1.5588 1.5588 1.9226 1.9226 2.3664 2.3664 3.2844 3.2844 3.4853 3.4853 5.9349 5.9349 7.1163 7.1163 9.7869 9.7869 12.5827 12.5827 13.3526 13.3526 13.4094 13.4094 16.5594 16.5594 Writing output data file CdTe.save init_run : 3.63s CPU 13.10s WALL ( 1 calls) electrons : 270.67s CPU 276.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.64s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 270.64s CPU 276.37s WALL ( 1 calls) v_of_rho : 0.36s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.35s CPU 0.64s WALL ( 1 calls) newd : 0.31s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 564 calls) cegterg : 216.79s CPU 218.88s WALL ( 1199 calls) Called by sum_band: Called by *egterg: h_psi : 85.96s CPU 95.34s WALL ( 20792 calls) s_psi : 9.79s CPU 10.85s WALL ( 20792 calls) g_psi : 0.06s CPU 0.16s WALL ( 19029 calls) cdiaghg : 85.14s CPU 81.07s WALL ( 19593 calls) cegterg:over : 19.68s CPU 16.22s WALL ( 19029 calls) cegterg:upda : 0.33s CPU 1.54s WALL ( 19029 calls) cegterg:last : 0.34s CPU 1.11s WALL ( 3346 calls) Called by h_psi: h_psi:vloc : 66.88s CPU 76.33s WALL ( 20792 calls) h_psi:vnl : 19.03s CPU 18.79s WALL ( 20792 calls) add_vuspsi : 3.91s CPU 7.33s WALL ( 20792 calls) General routines calbec : 15.07s CPU 11.35s WALL ( 20792 calls) fft : 0.34s CPU 1.57s WALL ( 19 calls) ffts : 0.02s CPU 0.08s WALL ( 4 calls) fftw : 62.11s CPU 70.35s WALL ( 1029336 calls) interpolate : 0.10s CPU 0.16s WALL ( 4 calls) davcio : 0.03s CPU 1.50s WALL ( 1128 calls) Parallel routines fft_scatter : 47.46s CPU 53.80s WALL ( 1029359 calls) PWSCF : 5m13.31s CPU 6m40.77s WALL This run was terminated on: 12:45: 3 21May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=