Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 3:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 21 6 2955 683 114 Max 58 22 7 2960 702 121 Sum 2077 787 245 106497 24881 4239 bravais-lattice index = 14 lattice parameter (alat) = 5.4953 a.u. unit-cell volume = 699.9718 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.495323 celldm(2)= 1.983150 celldm(3)= 2.126891 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 1.983150 0.000000 ) a(3) = ( 0.000000 0.000000 2.126891 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.504248 -0.000000 ) b(3) = ( 0.000000 0.000000 0.470170 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Pt 10.00 195.08400 Pt( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion 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_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0545455 -0.0000000 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 11) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 12) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 14) = ( 0.1181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 15) = ( 0.1272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1454545 -0.0000000 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1545455 -0.0000000 -0.0000000), wk = 0.0022321 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 21) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 23) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 28) = ( 0.2454545 -0.0000000 -0.0000000), wk = 0.0022321 k( 29) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0022321 k( 30) = ( 0.2636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 32) = ( 0.2818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 33) = ( 0.2909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 34) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 36) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 37) = ( 0.3272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 38) = ( 0.3363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 39) = ( 0.3454546 -0.0000000 -0.0000000), wk = 0.0022321 k( 40) = ( 0.3545454 -0.0000000 -0.0000000), wk = 0.0022321 k( 41) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 42) = ( 0.3727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 44) = ( 0.3909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 45) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 46) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 47) = ( 0.4181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 48) = ( 0.4272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 50) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0022321 k( 51) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0022321 k( 52) = ( 0.4636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 53) = ( 0.4727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 54) = ( 0.4818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 55) = ( 0.4909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 58) = ( 0.5000000 0.0090044 -0.0000000), wk = 0.0022321 k( 59) = ( 0.5000000 0.0180089 -0.0000000), wk = 0.0022321 k( 60) = ( 0.5000000 0.0270133 -0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.0360177 -0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.0450222 -0.0000000), wk = 0.0022321 k( 63) = ( 0.5000000 0.0540266 -0.0000000), wk = 0.0022321 k( 64) = ( 0.5000000 0.0630310 -0.0000000), wk = 0.0022321 k( 65) = ( 0.5000000 0.0720355 -0.0000000), wk = 0.0022321 k( 66) = ( 0.5000000 0.0810399 -0.0000000), wk = 0.0022321 k( 67) = ( 0.5000000 0.0900443 -0.0000000), wk = 0.0022321 k( 68) = ( 0.5000000 0.0990488 -0.0000000), wk = 0.0022321 k( 69) = ( 0.5000000 0.1080532 -0.0000000), wk = 0.0022321 k( 70) = ( 0.5000000 0.1170576 -0.0000000), wk = 0.0022321 k( 71) = ( 0.5000000 0.1260621 -0.0000000), wk = 0.0022321 k( 72) = ( 0.5000000 0.1350665 -0.0000000), wk = 0.0022321 k( 73) = ( 0.5000000 0.1440709 -0.0000000), wk = 0.0022321 k( 74) = ( 0.5000000 0.1530754 -0.0000000), wk = 0.0022321 k( 75) = ( 0.5000000 0.1620798 -0.0000000), wk = 0.0022321 k( 76) = ( 0.5000000 0.1710842 -0.0000000), wk = 0.0022321 k( 77) = ( 0.5000000 0.1800887 -0.0000000), wk = 0.0022321 k( 78) = ( 0.5000000 0.1890931 -0.0000000), wk = 0.0022321 k( 79) = ( 0.5000000 0.1980975 -0.0000000), wk = 0.0022321 k( 80) = ( 0.5000000 0.2071020 -0.0000000), wk = 0.0022321 k( 81) = ( 0.5000000 0.2161064 -0.0000000), wk = 0.0022321 k( 82) = ( 0.5000000 0.2251109 -0.0000000), wk = 0.0022321 k( 83) = ( 0.5000000 0.2341153 -0.0000000), wk = 0.0022321 k( 84) = ( 0.5000000 0.2431197 -0.0000000), wk = 0.0022321 k( 85) = ( 0.5000000 0.2521242 -0.0000000), wk = 0.0022321 k( 86) = ( 0.5000000 0.2521242 -0.0000000), wk = 0.0022321 k( 87) = ( 0.4909091 0.2521242 -0.0000000), wk = 0.0022321 k( 88) = ( 0.4818182 0.2521242 -0.0000000), wk = 0.0022321 k( 89) = ( 0.4727273 0.2521242 -0.0000000), wk = 0.0022321 k( 90) = ( 0.4636364 0.2521242 -0.0000000), wk = 0.0022321 k( 91) = ( 0.4545455 0.2521242 -0.0000000), wk = 0.0022321 k( 92) = ( 0.4454546 0.2521242 -0.0000000), wk = 0.0022321 k( 93) = ( 0.4363636 0.2521242 -0.0000000), wk = 0.0022321 k( 94) = ( 0.4272727 0.2521242 -0.0000000), wk = 0.0022321 k( 95) = ( 0.4181818 0.2521242 -0.0000000), wk = 0.0022321 k( 96) = ( 0.4090909 0.2521242 -0.0000000), wk = 0.0022321 k( 97) = ( 0.4000000 0.2521242 -0.0000000), wk = 0.0022321 k( 98) = ( 0.3909091 0.2521242 -0.0000000), wk = 0.0022321 k( 99) = ( 0.3818182 0.2521242 -0.0000000), wk = 0.0022321 k( 100) = ( 0.3727273 0.2521242 -0.0000000), wk = 0.0022321 k( 101) = ( 0.3636364 0.2521242 -0.0000000), wk = 0.0022321 k( 102) = ( 0.3545454 0.2521242 -0.0000000), wk = 0.0022321 k( 103) = ( 0.3454546 0.2521242 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3363636 0.2521242 -0.0000000), wk = 0.0022321 k( 105) = ( 0.3272727 0.2521242 -0.0000000), wk = 0.0022321 k( 106) = ( 0.3181818 0.2521242 -0.0000000), wk = 0.0022321 k( 107) = ( 0.3090909 0.2521242 -0.0000000), wk = 0.0022321 k( 108) = ( 0.3000000 0.2521242 -0.0000000), wk = 0.0022321 k( 109) = ( 0.2909091 0.2521242 -0.0000000), wk = 0.0022321 k( 110) = ( 0.2818182 0.2521242 -0.0000000), wk = 0.0022321 k( 111) = ( 0.2727273 0.2521242 -0.0000000), wk = 0.0022321 k( 112) = ( 0.2636364 0.2521242 -0.0000000), wk = 0.0022321 k( 113) = ( 0.2545455 0.2521242 -0.0000000), wk = 0.0022321 k( 114) = ( 0.2454545 0.2521242 -0.0000000), wk = 0.0022321 k( 115) = ( 0.2363636 0.2521242 -0.0000000), wk = 0.0022321 k( 116) = ( 0.2272727 0.2521242 -0.0000000), wk = 0.0022321 k( 117) = ( 0.2181818 0.2521242 -0.0000000), wk = 0.0022321 k( 118) = ( 0.2090909 0.2521242 -0.0000000), wk = 0.0022321 k( 119) = ( 0.2000000 0.2521242 -0.0000000), wk = 0.0022321 k( 120) = ( 0.1909091 0.2521242 -0.0000000), wk = 0.0022321 k( 121) = ( 0.1818182 0.2521242 -0.0000000), wk = 0.0022321 k( 122) = ( 0.1727273 0.2521242 -0.0000000), wk = 0.0022321 k( 123) = ( 0.1636364 0.2521242 -0.0000000), wk = 0.0022321 k( 124) = ( 0.1545455 0.2521242 -0.0000000), wk = 0.0022321 k( 125) = ( 0.1454545 0.2521242 -0.0000000), wk = 0.0022321 k( 126) = ( 0.1363636 0.2521242 -0.0000000), wk = 0.0022321 k( 127) = ( 0.1272727 0.2521242 -0.0000000), wk = 0.0022321 k( 128) = ( 0.1181818 0.2521242 -0.0000000), wk = 0.0022321 k( 129) = ( 0.1090909 0.2521242 -0.0000000), wk = 0.0022321 k( 130) = ( 0.1000000 0.2521242 -0.0000000), wk = 0.0022321 k( 131) = ( 0.0909091 0.2521242 -0.0000000), wk = 0.0022321 k( 132) = ( 0.0818182 0.2521242 -0.0000000), wk = 0.0022321 k( 133) = ( 0.0727273 0.2521242 -0.0000000), wk = 0.0022321 k( 134) = ( 0.0636364 0.2521242 -0.0000000), wk = 0.0022321 k( 135) = ( 0.0545455 0.2521242 -0.0000000), wk = 0.0022321 k( 136) = ( 0.0454546 0.2521242 -0.0000000), wk = 0.0022321 k( 137) = ( 0.0363636 0.2521242 -0.0000000), wk = 0.0022321 k( 138) = ( 0.0272727 0.2521242 -0.0000000), wk = 0.0022321 k( 139) = ( 0.0181818 0.2521242 -0.0000000), wk = 0.0022321 k( 140) = ( 0.0090909 0.2521242 -0.0000000), wk = 0.0022321 k( 141) = ( 0.0000000 0.2521242 -0.0000000), wk = 0.0022321 k( 142) = ( 0.0000000 0.2521242 -0.0000000), wk = 0.0022321 k( 143) = ( 0.0000000 0.2431197 -0.0000000), wk = 0.0022321 k( 144) = ( 0.0000000 0.2341153 -0.0000000), wk = 0.0022321 k( 145) = ( 0.0000000 0.2251109 -0.0000000), wk = 0.0022321 k( 146) = ( 0.0000000 0.2161064 -0.0000000), wk = 0.0022321 k( 147) = ( 0.0000000 0.2071020 -0.0000000), wk = 0.0022321 k( 148) = ( 0.0000000 0.1980975 -0.0000000), wk = 0.0022321 k( 149) = ( 0.0000000 0.1890931 -0.0000000), wk = 0.0022321 k( 150) = ( 0.0000000 0.1800887 -0.0000000), wk = 0.0022321 k( 151) = ( 0.0000000 0.1710842 -0.0000000), wk = 0.0022321 k( 152) = ( 0.0000000 0.1620798 -0.0000000), wk = 0.0022321 k( 153) = ( 0.0000000 0.1530754 -0.0000000), wk = 0.0022321 k( 154) = ( 0.0000000 0.1440709 -0.0000000), wk = 0.0022321 k( 155) = ( 0.0000000 0.1350665 -0.0000000), wk = 0.0022321 k( 156) = ( 0.0000000 0.1260621 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0000000 0.1170576 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0000000 0.1080532 -0.0000000), wk = 0.0022321 k( 159) = ( 0.0000000 0.0990488 -0.0000000), wk = 0.0022321 k( 160) = ( 0.0000000 0.0900443 -0.0000000), wk = 0.0022321 k( 161) = ( 0.0000000 0.0810399 -0.0000000), wk = 0.0022321 k( 162) = ( 0.0000000 0.0720355 -0.0000000), wk = 0.0022321 k( 163) = ( 0.0000000 0.0630310 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0000000 0.0540266 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0000000 0.0450222 -0.0000000), wk = 0.0022321 k( 166) = ( 0.0000000 0.0360177 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.0270133 -0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.0180089 -0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.0090044 -0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0090417), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0180835), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0271252), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0361669), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.0452086), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.0542504), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.0632921), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.0723338), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.0813755), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.0904173), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.0994590), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.1085007), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.1175424), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.1265842), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.1356259), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.1446676), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.1537093), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.1627511), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.1717928), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.1808345), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.1898762), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.1989180), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.2079597), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.2170014), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.2260432), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.2350849), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.2350849), wk = 0.0022321 k( 199) = ( 0.0090909 -0.0000000 0.2350849), wk = 0.0022321 k( 200) = ( 0.0181818 -0.0000000 0.2350849), wk = 0.0022321 k( 201) = ( 0.0272727 -0.0000000 0.2350849), wk = 0.0022321 k( 202) = ( 0.0363636 -0.0000000 0.2350849), wk = 0.0022321 k( 203) = ( 0.0454546 -0.0000000 0.2350849), wk = 0.0022321 k( 204) = ( 0.0545455 -0.0000000 0.2350849), wk = 0.0022321 k( 205) = ( 0.0636364 -0.0000000 0.2350849), wk = 0.0022321 k( 206) = ( 0.0727273 -0.0000000 0.2350849), wk = 0.0022321 k( 207) = ( 0.0818182 -0.0000000 0.2350849), wk = 0.0022321 k( 208) = ( 0.0909091 -0.0000000 0.2350849), wk = 0.0022321 k( 209) = ( 0.1000000 -0.0000000 0.2350849), wk = 0.0022321 k( 210) = ( 0.1090909 -0.0000000 0.2350849), wk = 0.0022321 k( 211) = ( 0.1181818 -0.0000000 0.2350849), wk = 0.0022321 k( 212) = ( 0.1272727 -0.0000000 0.2350849), wk = 0.0022321 k( 213) = ( 0.1363636 -0.0000000 0.2350849), wk = 0.0022321 k( 214) = ( 0.1454545 -0.0000000 0.2350849), wk = 0.0022321 k( 215) = ( 0.1545455 -0.0000000 0.2350849), wk = 0.0022321 k( 216) = ( 0.1636364 -0.0000000 0.2350849), wk = 0.0022321 k( 217) = ( 0.1727273 -0.0000000 0.2350849), wk = 0.0022321 k( 218) = ( 0.1818182 -0.0000000 0.2350849), wk = 0.0022321 k( 219) = ( 0.1909091 -0.0000000 0.2350849), wk = 0.0022321 k( 220) = ( 0.2000000 -0.0000000 0.2350849), wk = 0.0022321 k( 221) = ( 0.2090909 -0.0000000 0.2350849), wk = 0.0022321 k( 222) = ( 0.2181818 -0.0000000 0.2350849), wk = 0.0022321 k( 223) = ( 0.2272727 -0.0000000 0.2350849), wk = 0.0022321 k( 224) = ( 0.2363636 -0.0000000 0.2350849), wk = 0.0022321 k( 225) = ( 0.2454545 -0.0000000 0.2350849), wk = 0.0022321 k( 226) = ( 0.2545455 -0.0000000 0.2350849), wk = 0.0022321 k( 227) = ( 0.2636364 -0.0000000 0.2350849), wk = 0.0022321 k( 228) = ( 0.2727273 -0.0000000 0.2350849), wk = 0.0022321 k( 229) = ( 0.2818182 -0.0000000 0.2350849), wk = 0.0022321 k( 230) = ( 0.2909091 -0.0000000 0.2350849), wk = 0.0022321 k( 231) = ( 0.3000000 -0.0000000 0.2350849), wk = 0.0022321 k( 232) = ( 0.3090909 -0.0000000 0.2350849), wk = 0.0022321 k( 233) = ( 0.3181818 -0.0000000 0.2350849), wk = 0.0022321 k( 234) = ( 0.3272727 -0.0000000 0.2350849), wk = 0.0022321 k( 235) = ( 0.3363636 -0.0000000 0.2350849), wk = 0.0022321 k( 236) = ( 0.3454546 -0.0000000 0.2350849), wk = 0.0022321 k( 237) = ( 0.3545454 -0.0000000 0.2350849), wk = 0.0022321 k( 238) = ( 0.3636364 -0.0000000 0.2350849), wk = 0.0022321 k( 239) = ( 0.3727273 -0.0000000 0.2350849), wk = 0.0022321 k( 240) = ( 0.3818182 -0.0000000 0.2350849), wk = 0.0022321 k( 241) = ( 0.3909091 -0.0000000 0.2350849), wk = 0.0022321 k( 242) = ( 0.4000000 -0.0000000 0.2350849), wk = 0.0022321 k( 243) = ( 0.4090909 -0.0000000 0.2350849), wk = 0.0022321 k( 244) = ( 0.4181818 -0.0000000 0.2350849), wk = 0.0022321 k( 245) = ( 0.4272727 -0.0000000 0.2350849), wk = 0.0022321 k( 246) = ( 0.4363636 -0.0000000 0.2350849), wk = 0.0022321 k( 247) = ( 0.4454546 -0.0000000 0.2350849), wk = 0.0022321 k( 248) = ( 0.4545455 -0.0000000 0.2350849), wk = 0.0022321 k( 249) = ( 0.4636364 -0.0000000 0.2350849), wk = 0.0022321 k( 250) = ( 0.4727273 -0.0000000 0.2350849), wk = 0.0022321 k( 251) = ( 0.4818182 -0.0000000 0.2350849), wk = 0.0022321 k( 252) = ( 0.4909091 -0.0000000 0.2350849), wk = 0.0022321 k( 253) = ( 0.5000000 -0.0000000 0.2350849), wk = 0.0022321 k( 254) = ( 0.5000000 -0.0000000 0.2350849), wk = 0.0022321 k( 255) = ( 0.5000000 0.0090044 0.2350849), wk = 0.0022321 k( 256) = ( 0.5000000 0.0180089 0.2350849), wk = 0.0022321 k( 257) = ( 0.5000000 0.0270133 0.2350849), wk = 0.0022321 k( 258) = ( 0.5000000 0.0360177 0.2350849), wk = 0.0022321 k( 259) = ( 0.5000000 0.0450222 0.2350849), wk = 0.0022321 k( 260) = ( 0.5000000 0.0540266 0.2350849), wk = 0.0022321 k( 261) = ( 0.5000000 0.0630310 0.2350849), wk = 0.0022321 k( 262) = ( 0.5000000 0.0720355 0.2350849), wk = 0.0022321 k( 263) = ( 0.5000000 0.0810399 0.2350849), wk = 0.0022321 k( 264) = ( 0.5000000 0.0900443 0.2350849), wk = 0.0022321 k( 265) = ( 0.5000000 0.0990488 0.2350849), wk = 0.0022321 k( 266) = ( 0.5000000 0.1080532 0.2350849), wk = 0.0022321 k( 267) = ( 0.5000000 0.1170576 0.2350849), wk = 0.0022321 k( 268) = ( 0.5000000 0.1260621 0.2350849), wk = 0.0022321 k( 269) = ( 0.5000000 0.1350665 0.2350849), wk = 0.0022321 k( 270) = ( 0.5000000 0.1440709 0.2350849), wk = 0.0022321 k( 271) = ( 0.5000000 0.1530754 0.2350849), wk = 0.0022321 k( 272) = ( 0.5000000 0.1620798 0.2350849), wk = 0.0022321 k( 273) = ( 0.5000000 0.1710842 0.2350849), wk = 0.0022321 k( 274) = ( 0.5000000 0.1800887 0.2350849), wk = 0.0022321 k( 275) = ( 0.5000000 0.1890931 0.2350849), wk = 0.0022321 k( 276) = ( 0.5000000 0.1980975 0.2350849), wk = 0.0022321 k( 277) = ( 0.5000000 0.2071020 0.2350849), wk = 0.0022321 k( 278) = ( 0.5000000 0.2161064 0.2350849), wk = 0.0022321 k( 279) = ( 0.5000000 0.2251109 0.2350849), wk = 0.0022321 k( 280) = ( 0.5000000 0.2341153 0.2350849), wk = 0.0022321 k( 281) = ( 0.5000000 0.2431197 0.2350849), wk = 0.0022321 k( 282) = ( 0.5000000 0.2521242 0.2350849), wk = 0.0022321 k( 283) = ( 0.5000000 0.2521242 0.2350849), wk = 0.0022321 k( 284) = ( 0.4909091 0.2521242 0.2350849), wk = 0.0022321 k( 285) = ( 0.4818182 0.2521242 0.2350849), wk = 0.0022321 k( 286) = ( 0.4727273 0.2521242 0.2350849), wk = 0.0022321 k( 287) = ( 0.4636364 0.2521242 0.2350849), wk = 0.0022321 k( 288) = ( 0.4545455 0.2521242 0.2350849), wk = 0.0022321 k( 289) = ( 0.4454546 0.2521242 0.2350849), wk = 0.0022321 k( 290) = ( 0.4363636 0.2521242 0.2350849), wk = 0.0022321 k( 291) = ( 0.4272727 0.2521242 0.2350849), wk = 0.0022321 k( 292) = ( 0.4181818 0.2521242 0.2350849), wk = 0.0022321 k( 293) = ( 0.4090909 0.2521242 0.2350849), wk = 0.0022321 k( 294) = ( 0.4000000 0.2521242 0.2350849), wk = 0.0022321 k( 295) = ( 0.3909091 0.2521242 0.2350849), wk = 0.0022321 k( 296) = ( 0.3818182 0.2521242 0.2350849), wk = 0.0022321 k( 297) = ( 0.3727273 0.2521242 0.2350849), wk = 0.0022321 k( 298) = ( 0.3636364 0.2521242 0.2350849), wk = 0.0022321 k( 299) = ( 0.3545454 0.2521242 0.2350849), wk = 0.0022321 k( 300) = ( 0.3454546 0.2521242 0.2350849), wk = 0.0022321 k( 301) = ( 0.3363636 0.2521242 0.2350849), wk = 0.0022321 k( 302) = ( 0.3272727 0.2521242 0.2350849), wk = 0.0022321 k( 303) = ( 0.3181818 0.2521242 0.2350849), wk = 0.0022321 k( 304) = ( 0.3090909 0.2521242 0.2350849), wk = 0.0022321 k( 305) = ( 0.3000000 0.2521242 0.2350849), wk = 0.0022321 k( 306) = ( 0.2909091 0.2521242 0.2350849), wk = 0.0022321 k( 307) = ( 0.2818182 0.2521242 0.2350849), wk = 0.0022321 k( 308) = ( 0.2727273 0.2521242 0.2350849), wk = 0.0022321 k( 309) = ( 0.2636364 0.2521242 0.2350849), wk = 0.0022321 k( 310) = ( 0.2545455 0.2521242 0.2350849), wk = 0.0022321 k( 311) = ( 0.2454545 0.2521242 0.2350849), wk = 0.0022321 k( 312) = ( 0.2363636 0.2521242 0.2350849), wk = 0.0022321 k( 313) = ( 0.2272727 0.2521242 0.2350849), wk = 0.0022321 k( 314) = ( 0.2181818 0.2521242 0.2350849), wk = 0.0022321 k( 315) = ( 0.2090909 0.2521242 0.2350849), wk = 0.0022321 k( 316) = ( 0.2000000 0.2521242 0.2350849), wk = 0.0022321 k( 317) = ( 0.1909091 0.2521242 0.2350849), wk = 0.0022321 k( 318) = ( 0.1818182 0.2521242 0.2350849), wk = 0.0022321 k( 319) = ( 0.1727273 0.2521242 0.2350849), wk = 0.0022321 k( 320) = ( 0.1636364 0.2521242 0.2350849), wk = 0.0022321 k( 321) = ( 0.1545455 0.2521242 0.2350849), wk = 0.0022321 k( 322) = ( 0.1454545 0.2521242 0.2350849), wk = 0.0022321 k( 323) = ( 0.1363636 0.2521242 0.2350849), wk = 0.0022321 k( 324) = ( 0.1272727 0.2521242 0.2350849), wk = 0.0022321 k( 325) = ( 0.1181818 0.2521242 0.2350849), wk = 0.0022321 k( 326) = ( 0.1090909 0.2521242 0.2350849), wk = 0.0022321 k( 327) = ( 0.1000000 0.2521242 0.2350849), wk = 0.0022321 k( 328) = ( 0.0909091 0.2521242 0.2350849), wk = 0.0022321 k( 329) = ( 0.0818182 0.2521242 0.2350849), wk = 0.0022321 k( 330) = ( 0.0727273 0.2521242 0.2350849), wk = 0.0022321 k( 331) = ( 0.0636364 0.2521242 0.2350849), wk = 0.0022321 k( 332) = ( 0.0545455 0.2521242 0.2350849), wk = 0.0022321 k( 333) = ( 0.0454546 0.2521242 0.2350849), wk = 0.0022321 k( 334) = ( 0.0363636 0.2521242 0.2350849), wk = 0.0022321 k( 335) = ( 0.0272727 0.2521242 0.2350849), wk = 0.0022321 k( 336) = ( 0.0181818 0.2521242 0.2350849), wk = 0.0022321 k( 337) = ( 0.0090909 0.2521242 0.2350849), wk = 0.0022321 k( 338) = ( 0.0000000 0.2521242 0.2350849), wk = 0.0022321 k( 339) = ( 0.0000000 0.2521242 0.2350849), wk = 0.0022321 k( 340) = ( 0.0000000 0.2431197 0.2350849), wk = 0.0022321 k( 341) = ( 0.0000000 0.2341153 0.2350849), wk = 0.0022321 k( 342) = ( 0.0000000 0.2251109 0.2350849), wk = 0.0022321 k( 343) = ( 0.0000000 0.2161064 0.2350849), wk = 0.0022321 k( 344) = ( 0.0000000 0.2071020 0.2350849), wk = 0.0022321 k( 345) = ( 0.0000000 0.1980975 0.2350849), wk = 0.0022321 k( 346) = ( 0.0000000 0.1890931 0.2350849), wk = 0.0022321 k( 347) = ( 0.0000000 0.1800887 0.2350849), wk = 0.0022321 k( 348) = ( 0.0000000 0.1710842 0.2350849), wk = 0.0022321 k( 349) = ( 0.0000000 0.1620798 0.2350849), wk = 0.0022321 k( 350) = ( 0.0000000 0.1530754 0.2350849), wk = 0.0022321 k( 351) = ( 0.0000000 0.1440709 0.2350849), wk = 0.0022321 k( 352) = ( 0.0000000 0.1350665 0.2350849), wk = 0.0022321 k( 353) = ( 0.0000000 0.1260621 0.2350849), wk = 0.0022321 k( 354) = ( 0.0000000 0.1170576 0.2350849), wk = 0.0022321 k( 355) = ( 0.0000000 0.1080532 0.2350849), wk = 0.0022321 k( 356) = ( 0.0000000 0.0990488 0.2350849), wk = 0.0022321 k( 357) = ( 0.0000000 0.0900443 0.2350849), wk = 0.0022321 k( 358) = ( 0.0000000 0.0810399 0.2350849), wk = 0.0022321 k( 359) = ( 0.0000000 0.0720355 0.2350849), wk = 0.0022321 k( 360) = ( 0.0000000 0.0630310 0.2350849), wk = 0.0022321 k( 361) = ( 0.0000000 0.0540266 0.2350849), wk = 0.0022321 k( 362) = ( 0.0000000 0.0450222 0.2350849), wk = 0.0022321 k( 363) = ( 0.0000000 0.0360177 0.2350849), wk = 0.0022321 k( 364) = ( 0.0000000 0.0270133 0.2350849), wk = 0.0022321 k( 365) = ( 0.0000000 0.0180089 0.2350849), wk = 0.0022321 k( 366) = ( 0.0000000 0.0090044 0.2350849), wk = 0.0022321 k( 367) = ( 0.0000000 0.0000000 0.2350849), wk = 0.0022321 k( 368) = ( 0.0000000 0.2521242 -0.0000000), wk = 0.0022321 k( 369) = ( 0.0000000 0.2521242 0.0090417), wk = 0.0022321 k( 370) = ( 0.0000000 0.2521242 0.0180835), wk = 0.0022321 k( 371) = ( 0.0000000 0.2521242 0.0271252), wk = 0.0022321 k( 372) = ( 0.0000000 0.2521242 0.0361669), wk = 0.0022321 k( 373) = ( 0.0000000 0.2521242 0.0452086), wk = 0.0022321 k( 374) = ( 0.0000000 0.2521242 0.0542504), wk = 0.0022321 k( 375) = ( 0.0000000 0.2521242 0.0632921), wk = 0.0022321 k( 376) = ( 0.0000000 0.2521242 0.0723338), wk = 0.0022321 k( 377) = ( 0.0000000 0.2521242 0.0813755), wk = 0.0022321 k( 378) = ( 0.0000000 0.2521242 0.0904173), wk = 0.0022321 k( 379) = ( 0.0000000 0.2521242 0.0994590), wk = 0.0022321 k( 380) = ( 0.0000000 0.2521242 0.1085007), wk = 0.0022321 k( 381) = ( 0.0000000 0.2521242 0.1175424), wk = 0.0022321 k( 382) = ( 0.0000000 0.2521242 0.1265842), wk = 0.0022321 k( 383) = ( 0.0000000 0.2521242 0.1356259), wk = 0.0022321 k( 384) = ( 0.0000000 0.2521242 0.1446676), wk = 0.0022321 k( 385) = ( 0.0000000 0.2521242 0.1537093), wk = 0.0022321 k( 386) = ( 0.0000000 0.2521242 0.1627511), wk = 0.0022321 k( 387) = ( 0.0000000 0.2521242 0.1717928), wk = 0.0022321 k( 388) = ( 0.0000000 0.2521242 0.1808345), wk = 0.0022321 k( 389) = ( 0.0000000 0.2521242 0.1898762), wk = 0.0022321 k( 390) = ( 0.0000000 0.2521242 0.1989180), wk = 0.0022321 k( 391) = ( 0.0000000 0.2521242 0.2079597), wk = 0.0022321 k( 392) = ( 0.0000000 0.2521242 0.2170014), wk = 0.0022321 k( 393) = ( 0.0000000 0.2521242 0.2260432), wk = 0.0022321 k( 394) = ( 0.0000000 0.2521242 0.2350849), wk = 0.0022321 k( 395) = ( 0.5000000 -0.0000000 0.2350849), wk = 0.0022321 k( 396) = ( 0.5000000 -0.0000000 0.2260432), wk = 0.0022321 k( 397) = ( 0.5000000 -0.0000000 0.2170014), wk = 0.0022321 k( 398) = ( 0.5000000 -0.0000000 0.2079597), wk = 0.0022321 k( 399) = ( 0.5000000 -0.0000000 0.1989180), wk = 0.0022321 k( 400) = ( 0.5000000 -0.0000000 0.1898762), wk = 0.0022321 k( 401) = ( 0.5000000 -0.0000000 0.1808345), wk = 0.0022321 k( 402) = ( 0.5000000 -0.0000000 0.1717928), wk = 0.0022321 k( 403) = ( 0.5000000 -0.0000000 0.1627511), wk = 0.0022321 k( 404) = ( 0.5000000 -0.0000000 0.1537093), wk = 0.0022321 k( 405) = ( 0.5000000 -0.0000000 0.1446676), wk = 0.0022321 k( 406) = ( 0.5000000 -0.0000000 0.1356259), wk = 0.0022321 k( 407) = ( 0.5000000 -0.0000000 0.1265842), wk = 0.0022321 k( 408) = ( 0.5000000 -0.0000000 0.1175424), wk = 0.0022321 k( 409) = ( 0.5000000 -0.0000000 0.1085007), wk = 0.0022321 k( 410) = ( 0.5000000 -0.0000000 0.0994590), wk = 0.0022321 k( 411) = ( 0.5000000 -0.0000000 0.0904173), wk = 0.0022321 k( 412) = ( 0.5000000 -0.0000000 0.0813755), wk = 0.0022321 k( 413) = ( 0.5000000 -0.0000000 0.0723338), wk = 0.0022321 k( 414) = ( 0.5000000 -0.0000000 0.0632921), wk = 0.0022321 k( 415) = ( 0.5000000 -0.0000000 0.0542504), wk = 0.0022321 k( 416) = ( 0.5000000 -0.0000000 0.0452086), wk = 0.0022321 k( 417) = ( 0.5000000 -0.0000000 0.0361669), wk = 0.0022321 k( 418) = ( 0.5000000 -0.0000000 0.0271252), wk = 0.0022321 k( 419) = ( 0.5000000 -0.0000000 0.0180835), wk = 0.0022321 k( 420) = ( 0.5000000 -0.0000000 0.0090417), wk = 0.0022321 k( 421) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 422) = ( 0.5000000 0.2521242 -0.0000000), wk = 0.0022321 k( 423) = ( 0.5000000 0.2521242 0.0090417), wk = 0.0022321 k( 424) = ( 0.5000000 0.2521242 0.0180835), wk = 0.0022321 k( 425) = ( 0.5000000 0.2521242 0.0271252), wk = 0.0022321 k( 426) = ( 0.5000000 0.2521242 0.0361669), wk = 0.0022321 k( 427) = ( 0.5000000 0.2521242 0.0452086), wk = 0.0022321 k( 428) = ( 0.5000000 0.2521242 0.0542504), wk = 0.0022321 k( 429) = ( 0.5000000 0.2521242 0.0632921), wk = 0.0022321 k( 430) = ( 0.5000000 0.2521242 0.0723338), wk = 0.0022321 k( 431) = ( 0.5000000 0.2521242 0.0813755), wk = 0.0022321 k( 432) = ( 0.5000000 0.2521242 0.0904173), wk = 0.0022321 k( 433) = ( 0.5000000 0.2521242 0.0994590), wk = 0.0022321 k( 434) = ( 0.5000000 0.2521242 0.1085007), wk = 0.0022321 k( 435) = ( 0.5000000 0.2521242 0.1175424), wk = 0.0022321 k( 436) = ( 0.5000000 0.2521242 0.1265842), wk = 0.0022321 k( 437) = ( 0.5000000 0.2521242 0.1356259), wk = 0.0022321 k( 438) = ( 0.5000000 0.2521242 0.1446676), wk = 0.0022321 k( 439) = ( 0.5000000 0.2521242 0.1537093), wk = 0.0022321 k( 440) = ( 0.5000000 0.2521242 0.1627511), wk = 0.0022321 k( 441) = ( 0.5000000 0.2521242 0.1717928), wk = 0.0022321 k( 442) = ( 0.5000000 0.2521242 0.1808345), wk = 0.0022321 k( 443) = ( 0.5000000 0.2521242 0.1898762), wk = 0.0022321 k( 444) = ( 0.5000000 0.2521242 0.1989180), wk = 0.0022321 k( 445) = ( 0.5000000 0.2521242 0.2079597), wk = 0.0022321 k( 446) = ( 0.5000000 0.2521242 0.2170014), wk = 0.0022321 k( 447) = ( 0.5000000 0.2521242 0.2260432), wk = 0.0022321 k( 448) = ( 0.5000000 0.2521242 0.2350849), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0022321 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0022321 k( 4) = ( 0.0272727 0.0000000 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0022321 k( 6) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0022321 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0022321 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0022321 k( 10) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0022321 k( 11) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0022321 k( 12) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0022321 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0022321 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0022321 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0022321 k( 17) = ( 0.1454545 0.0000000 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0022321 k( 19) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0022321 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 21) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0022321 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 23) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2090909 0.0000000 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0022321 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0022321 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0022321 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0022321 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0022321 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0022321 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0022321 k( 32) = ( 0.2818182 0.0000000 -0.0000000), wk = 0.0022321 k( 33) = ( 0.2909091 0.0000000 -0.0000000), wk = 0.0022321 k( 34) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0022321 k( 36) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0022321 k( 37) = ( 0.3272727 0.0000000 -0.0000000), wk = 0.0022321 k( 38) = ( 0.3363636 -0.0000000 0.0000000), wk = 0.0022321 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0022321 k( 40) = ( 0.3545454 -0.0000000 0.0000000), wk = 0.0022321 k( 41) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0022321 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0022321 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0022321 k( 45) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0022321 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0022321 k( 47) = ( 0.4181818 0.0000000 -0.0000000), wk = 0.0022321 k( 48) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0022321 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0022321 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0022321 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0022321 k( 52) = ( 0.4636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0022321 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0022321 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0022321 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 58) = ( 0.5000000 0.0178571 -0.0000000), wk = 0.0022321 k( 59) = ( 0.5000000 0.0357143 -0.0000000), wk = 0.0022321 k( 60) = ( 0.5000000 0.0535714 -0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.0892857 -0.0000000), wk = 0.0022321 k( 63) = ( 0.5000000 0.1071429 0.0000000), wk = 0.0022321 k( 64) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0022321 k( 65) = ( 0.5000000 0.1428571 -0.0000000), wk = 0.0022321 k( 66) = ( 0.5000000 0.1607143 0.0000000), wk = 0.0022321 k( 67) = ( 0.5000000 0.1785714 -0.0000000), wk = 0.0022321 k( 68) = ( 0.5000000 0.1964286 0.0000000), wk = 0.0022321 k( 69) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0022321 k( 70) = ( 0.5000000 0.2321429 -0.0000000), wk = 0.0022321 k( 71) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022321 k( 72) = ( 0.5000000 0.2678571 0.0000000), wk = 0.0022321 k( 73) = ( 0.5000000 0.2857143 -0.0000000), wk = 0.0022321 k( 74) = ( 0.5000000 0.3035714 -0.0000000), wk = 0.0022321 k( 75) = ( 0.5000000 0.3214286 0.0000000), wk = 0.0022321 k( 76) = ( 0.5000000 0.3392857 0.0000000), wk = 0.0022321 k( 77) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0022321 k( 78) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0022321 k( 79) = ( 0.5000000 0.3928571 -0.0000000), wk = 0.0022321 k( 80) = ( 0.5000000 0.4107143 0.0000000), wk = 0.0022321 k( 81) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0022321 k( 82) = ( 0.5000000 0.4464286 0.0000000), wk = 0.0022321 k( 83) = ( 0.5000000 0.4642857 0.0000000), wk = 0.0022321 k( 84) = ( 0.5000000 0.4821429 -0.0000000), wk = 0.0022321 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 87) = ( 0.4909091 0.5000000 -0.0000000), wk = 0.0022321 k( 88) = ( 0.4818182 0.5000000 0.0000000), wk = 0.0022321 k( 89) = ( 0.4727273 0.5000000 0.0000000), wk = 0.0022321 k( 90) = ( 0.4636364 0.5000000 0.0000000), wk = 0.0022321 k( 91) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0022321 k( 92) = ( 0.4454546 0.5000000 0.0000000), wk = 0.0022321 k( 93) = ( 0.4363636 0.5000000 -0.0000000), wk = 0.0022321 k( 94) = ( 0.4272727 0.5000000 0.0000000), wk = 0.0022321 k( 95) = ( 0.4181818 0.5000000 0.0000000), wk = 0.0022321 k( 96) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0022321 k( 97) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0022321 k( 98) = ( 0.3909091 0.5000000 0.0000000), wk = 0.0022321 k( 99) = ( 0.3818182 0.5000000 0.0000000), wk = 0.0022321 k( 100) = ( 0.3727273 0.5000000 -0.0000000), wk = 0.0022321 k( 101) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0022321 k( 102) = ( 0.3545454 0.5000000 0.0000000), wk = 0.0022321 k( 103) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3363636 0.5000000 0.0000000), wk = 0.0022321 k( 105) = ( 0.3272727 0.5000000 0.0000000), wk = 0.0022321 k( 106) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0022321 k( 107) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0022321 k( 108) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0022321 k( 109) = ( 0.2909091 0.5000000 -0.0000000), wk = 0.0022321 k( 110) = ( 0.2818182 0.5000000 0.0000000), wk = 0.0022321 k( 111) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0022321 k( 112) = ( 0.2636364 0.5000000 0.0000000), wk = 0.0022321 k( 113) = ( 0.2545455 0.5000000 0.0000000), wk = 0.0022321 k( 114) = ( 0.2454545 0.5000000 0.0000000), wk = 0.0022321 k( 115) = ( 0.2363636 0.5000000 0.0000000), wk = 0.0022321 k( 116) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0022321 k( 117) = ( 0.2181818 0.5000000 0.0000000), wk = 0.0022321 k( 118) = ( 0.2090909 0.5000000 0.0000000), wk = 0.0022321 k( 119) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0022321 k( 120) = ( 0.1909091 0.5000000 0.0000000), wk = 0.0022321 k( 121) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0022321 k( 122) = ( 0.1727273 0.5000000 0.0000000), wk = 0.0022321 k( 123) = ( 0.1636364 0.5000000 0.0000000), wk = 0.0022321 k( 124) = ( 0.1545455 0.5000000 0.0000000), wk = 0.0022321 k( 125) = ( 0.1454545 0.5000000 0.0000000), wk = 0.0022321 k( 126) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0022321 k( 127) = ( 0.1272727 0.5000000 0.0000000), wk = 0.0022321 k( 128) = ( 0.1181818 0.5000000 0.0000000), wk = 0.0022321 k( 129) = ( 0.1090909 0.5000000 0.0000000), wk = 0.0022321 k( 130) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0022321 k( 131) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0022321 k( 132) = ( 0.0818182 0.5000000 0.0000000), wk = 0.0022321 k( 133) = ( 0.0727273 0.5000000 0.0000000), wk = 0.0022321 k( 134) = ( 0.0636364 0.5000000 0.0000000), wk = 0.0022321 k( 135) = ( 0.0545455 0.5000000 0.0000000), wk = 0.0022321 k( 136) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0022321 k( 137) = ( 0.0363636 0.5000000 0.0000000), wk = 0.0022321 k( 138) = ( 0.0272727 0.5000000 0.0000000), wk = 0.0022321 k( 139) = ( 0.0181818 0.5000000 0.0000000), wk = 0.0022321 k( 140) = ( 0.0090909 0.5000000 0.0000000), wk = 0.0022321 k( 141) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 142) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 143) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0022321 k( 144) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0022321 k( 145) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0022321 k( 146) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0022321 k( 147) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0022321 k( 148) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0022321 k( 149) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022321 k( 150) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0022321 k( 151) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0022321 k( 152) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0022321 k( 153) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0022321 k( 154) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0022321 k( 155) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0022321 k( 156) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022321 k( 157) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0022321 k( 158) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0022321 k( 159) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0022321 k( 160) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0022321 k( 161) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0022321 k( 162) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0022321 k( 163) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022321 k( 164) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0022321 k( 165) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0022321 k( 166) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 199) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0022321 k( 200) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0022321 k( 201) = ( 0.0272727 0.0000000 0.5000000), wk = 0.0022321 k( 202) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0022321 k( 203) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0022321 k( 204) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0022321 k( 205) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0022321 k( 206) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0022321 k( 207) = ( 0.0818182 0.0000000 0.5000000), wk = 0.0022321 k( 208) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0022321 k( 209) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022321 k( 210) = ( 0.1090909 0.0000000 0.5000000), wk = 0.0022321 k( 211) = ( 0.1181818 0.0000000 0.5000000), wk = 0.0022321 k( 212) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0022321 k( 213) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0022321 k( 214) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0022321 k( 215) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0022321 k( 216) = ( 0.1636364 0.0000000 0.5000000), wk = 0.0022321 k( 217) = ( 0.1727273 -0.0000000 0.5000000), wk = 0.0022321 k( 218) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0022321 k( 219) = ( 0.1909091 -0.0000000 0.5000000), wk = 0.0022321 k( 220) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022321 k( 221) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0022321 k( 222) = ( 0.2181818 0.0000000 0.5000000), wk = 0.0022321 k( 223) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0022321 k( 224) = ( 0.2363636 0.0000000 0.5000000), wk = 0.0022321 k( 225) = ( 0.2454545 0.0000000 0.5000000), wk = 0.0022321 k( 226) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0022321 k( 227) = ( 0.2636364 0.0000000 0.5000000), wk = 0.0022321 k( 228) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0022321 k( 229) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0022321 k( 230) = ( 0.2909091 0.0000000 0.5000000), wk = 0.0022321 k( 231) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0022321 k( 232) = ( 0.3090909 0.0000000 0.5000000), wk = 0.0022321 k( 233) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0022321 k( 234) = ( 0.3272727 0.0000000 0.5000000), wk = 0.0022321 k( 235) = ( 0.3363636 -0.0000000 0.5000000), wk = 0.0022321 k( 236) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0022321 k( 237) = ( 0.3545454 -0.0000000 0.5000000), wk = 0.0022321 k( 238) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0022321 k( 239) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0022321 k( 240) = ( 0.3818182 -0.0000000 0.5000000), wk = 0.0022321 k( 241) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0022321 k( 242) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022321 k( 243) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0022321 k( 244) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0022321 k( 245) = ( 0.4272727 0.0000000 0.5000000), wk = 0.0022321 k( 246) = ( 0.4363636 0.0000000 0.5000000), wk = 0.0022321 k( 247) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0022321 k( 248) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0022321 k( 249) = ( 0.4636364 -0.0000000 0.5000000), wk = 0.0022321 k( 250) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0022321 k( 251) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0022321 k( 252) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0022321 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 255) = ( 0.5000000 0.0178571 0.5000000), wk = 0.0022321 k( 256) = ( 0.5000000 0.0357143 0.5000000), wk = 0.0022321 k( 257) = ( 0.5000000 0.0535714 0.5000000), wk = 0.0022321 k( 258) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0022321 k( 259) = ( 0.5000000 0.0892857 0.5000000), wk = 0.0022321 k( 260) = ( 0.5000000 0.1071429 0.5000000), wk = 0.0022321 k( 261) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0022321 k( 262) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0022321 k( 263) = ( 0.5000000 0.1607143 0.5000000), wk = 0.0022321 k( 264) = ( 0.5000000 0.1785714 0.5000000), wk = 0.0022321 k( 265) = ( 0.5000000 0.1964286 0.5000000), wk = 0.0022321 k( 266) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0022321 k( 267) = ( 0.5000000 0.2321429 0.5000000), wk = 0.0022321 k( 268) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022321 k( 269) = ( 0.5000000 0.2678571 0.5000000), wk = 0.0022321 k( 270) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0022321 k( 271) = ( 0.5000000 0.3035714 0.5000000), wk = 0.0022321 k( 272) = ( 0.5000000 0.3214286 0.5000000), wk = 0.0022321 k( 273) = ( 0.5000000 0.3392857 0.5000000), wk = 0.0022321 k( 274) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0022321 k( 275) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0022321 k( 276) = ( 0.5000000 0.3928571 0.5000000), wk = 0.0022321 k( 277) = ( 0.5000000 0.4107143 0.5000000), wk = 0.0022321 k( 278) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0022321 k( 279) = ( 0.5000000 0.4464286 0.5000000), wk = 0.0022321 k( 280) = ( 0.5000000 0.4642857 0.5000000), wk = 0.0022321 k( 281) = ( 0.5000000 0.4821429 0.5000000), wk = 0.0022321 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 284) = ( 0.4909091 0.5000000 0.5000000), wk = 0.0022321 k( 285) = ( 0.4818182 0.5000000 0.5000000), wk = 0.0022321 k( 286) = ( 0.4727273 0.5000000 0.5000000), wk = 0.0022321 k( 287) = ( 0.4636364 0.5000000 0.5000000), wk = 0.0022321 k( 288) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0022321 k( 289) = ( 0.4454546 0.5000000 0.5000000), wk = 0.0022321 k( 290) = ( 0.4363636 0.5000000 0.5000000), wk = 0.0022321 k( 291) = ( 0.4272727 0.5000000 0.5000000), wk = 0.0022321 k( 292) = ( 0.4181818 0.5000000 0.5000000), wk = 0.0022321 k( 293) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0022321 k( 294) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0022321 k( 295) = ( 0.3909091 0.5000000 0.5000000), wk = 0.0022321 k( 296) = ( 0.3818182 0.5000000 0.5000000), wk = 0.0022321 k( 297) = ( 0.3727273 0.5000000 0.5000000), wk = 0.0022321 k( 298) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0022321 k( 299) = ( 0.3545454 0.5000000 0.5000000), wk = 0.0022321 k( 300) = ( 0.3454546 0.5000000 0.5000000), wk = 0.0022321 k( 301) = ( 0.3363636 0.5000000 0.5000000), wk = 0.0022321 k( 302) = ( 0.3272727 0.5000000 0.5000000), wk = 0.0022321 k( 303) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0022321 k( 304) = ( 0.3090909 0.5000000 0.5000000), wk = 0.0022321 k( 305) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0022321 k( 306) = ( 0.2909091 0.5000000 0.5000000), wk = 0.0022321 k( 307) = ( 0.2818182 0.5000000 0.5000000), wk = 0.0022321 k( 308) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0022321 k( 309) = ( 0.2636364 0.5000000 0.5000000), wk = 0.0022321 k( 310) = ( 0.2545455 0.5000000 0.5000000), wk = 0.0022321 k( 311) = ( 0.2454545 0.5000000 0.5000000), wk = 0.0022321 k( 312) = ( 0.2363636 0.5000000 0.5000000), wk = 0.0022321 k( 313) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0022321 k( 314) = ( 0.2181818 0.5000000 0.5000000), wk = 0.0022321 k( 315) = ( 0.2090909 0.5000000 0.5000000), wk = 0.0022321 k( 316) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0022321 k( 317) = ( 0.1909091 0.5000000 0.5000000), wk = 0.0022321 k( 318) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0022321 k( 319) = ( 0.1727273 0.5000000 0.5000000), wk = 0.0022321 k( 320) = ( 0.1636364 0.5000000 0.5000000), wk = 0.0022321 k( 321) = ( 0.1545455 0.5000000 0.5000000), wk = 0.0022321 k( 322) = ( 0.1454545 0.5000000 0.5000000), wk = 0.0022321 k( 323) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0022321 k( 324) = ( 0.1272727 0.5000000 0.5000000), wk = 0.0022321 k( 325) = ( 0.1181818 0.5000000 0.5000000), wk = 0.0022321 k( 326) = ( 0.1090909 0.5000000 0.5000000), wk = 0.0022321 k( 327) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0022321 k( 328) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0022321 k( 329) = ( 0.0818182 0.5000000 0.5000000), wk = 0.0022321 k( 330) = ( 0.0727273 0.5000000 0.5000000), wk = 0.0022321 k( 331) = ( 0.0636364 0.5000000 0.5000000), wk = 0.0022321 k( 332) = ( 0.0545455 0.5000000 0.5000000), wk = 0.0022321 k( 333) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0022321 k( 334) = ( 0.0363636 0.5000000 0.5000000), wk = 0.0022321 k( 335) = ( 0.0272727 0.5000000 0.5000000), wk = 0.0022321 k( 336) = ( 0.0181818 0.5000000 0.5000000), wk = 0.0022321 k( 337) = ( 0.0090909 0.5000000 0.5000000), wk = 0.0022321 k( 338) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 339) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 340) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0022321 k( 341) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0022321 k( 342) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0022321 k( 343) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0022321 k( 344) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0022321 k( 345) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0022321 k( 346) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022321 k( 347) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0022321 k( 348) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0022321 k( 349) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0022321 k( 350) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0022321 k( 351) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0022321 k( 352) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0022321 k( 353) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022321 k( 354) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0022321 k( 355) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0022321 k( 356) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0022321 k( 357) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0022321 k( 358) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0022321 k( 359) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0022321 k( 360) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022321 k( 361) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0022321 k( 362) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0022321 k( 363) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0022321 k( 364) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0022321 k( 365) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0022321 k( 366) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0022321 k( 367) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 368) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 369) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0022321 k( 370) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0022321 k( 371) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0022321 k( 372) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0022321 k( 373) = ( 0.0000000 0.5000000 0.0961539), wk = 0.0022321 k( 374) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0022321 k( 375) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0022321 k( 376) = ( 0.0000000 0.5000000 0.1538462), wk = 0.0022321 k( 377) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0022321 k( 378) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0022321 k( 379) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0022321 k( 380) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0022321 k( 381) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022321 k( 382) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0022321 k( 383) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0022321 k( 384) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0022321 k( 385) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0022321 k( 386) = ( 0.0000000 0.5000000 0.3461539), wk = 0.0022321 k( 387) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0022321 k( 388) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0022321 k( 389) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0022321 k( 390) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0022321 k( 391) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0022321 k( 392) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0022321 k( 393) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0022321 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 395) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 396) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0022321 k( 397) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0022321 k( 398) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0022321 k( 399) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0022321 k( 400) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0022321 k( 401) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0022321 k( 402) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0022321 k( 403) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0022321 k( 404) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0022321 k( 405) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0022321 k( 406) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0022321 k( 407) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0022321 k( 408) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022321 k( 409) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0022321 k( 410) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0022321 k( 411) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0022321 k( 412) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0022321 k( 413) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0022321 k( 414) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0022321 k( 415) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0022321 k( 416) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0022321 k( 417) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0022321 k( 418) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0022321 k( 419) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0022321 k( 420) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0022321 k( 421) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 422) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 423) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0022321 k( 424) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0022321 k( 425) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0022321 k( 426) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0022321 k( 427) = ( 0.5000000 0.5000000 0.0961539), wk = 0.0022321 k( 428) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0022321 k( 429) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0022321 k( 430) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0022321 k( 431) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0022321 k( 432) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0022321 k( 433) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0022321 k( 434) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0022321 k( 435) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022321 k( 436) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0022321 k( 437) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0022321 k( 438) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0022321 k( 439) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0022321 k( 440) = ( 0.5000000 0.5000000 0.3461539), wk = 0.0022321 k( 441) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0022321 k( 442) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0022321 k( 443) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0022321 k( 444) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0022321 k( 445) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0022321 k( 446) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0022321 k( 447) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 Dense grid: 106497 G-vectors FFT dimensions: ( 40, 75, 80) Smooth grid: 24881 G-vectors FFT dimensions: ( 24, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 188, 44) NL pseudopotentials 0.18 Mb ( 94, 124) Each V/rho on FFT grid 0.14 Mb ( 9000) Each G-vector array 0.02 Mb ( 2957) G-vector shells 0.01 Mb ( 1452) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 188, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./Ge2Pt.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.2 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 12.8 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.4 secs Computing kpt #: 34 total cpu time spent up to now is 16.8 secs Computing kpt #: 35 total cpu time spent up to now is 17.2 secs Computing kpt #: 36 total cpu time spent up to now is 17.6 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.3 secs Computing kpt #: 39 total cpu time spent up to now is 18.7 secs Computing kpt #: 40 total cpu time spent up to now is 19.1 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 19.8 secs Computing kpt #: 43 total cpu time spent up to now is 20.1 secs Computing kpt #: 44 total cpu time spent up to now is 20.4 secs Computing kpt #: 45 total cpu time spent up to now is 20.8 secs Computing kpt #: 46 total cpu time spent up to now is 21.2 secs Computing kpt #: 47 total cpu time spent up to now is 21.6 secs Computing kpt #: 48 total cpu time spent up to now is 22.0 secs Computing kpt #: 49 total cpu time spent up to now is 22.4 secs Computing kpt #: 50 total cpu time spent up to now is 22.8 secs Computing kpt #: 51 total cpu time spent up to now is 23.2 secs Computing kpt #: 52 total cpu time spent up to now is 23.5 secs Computing kpt #: 53 total cpu time spent up to now is 23.9 secs Computing kpt #: 54 total cpu time spent up to now is 24.2 secs Computing kpt #: 55 total cpu time spent up to now is 24.5 secs Computing kpt #: 56 total cpu time spent up to now is 24.9 secs Computing kpt #: 57 total cpu time spent up to now is 25.2 secs Computing kpt #: 58 total cpu time spent up to now is 25.5 secs Computing kpt #: 59 total cpu time spent up to now is 25.9 secs Computing kpt #: 60 total cpu time spent up to now is 26.2 secs Computing kpt #: 61 total cpu time spent up to now is 26.6 secs Computing kpt #: 62 total cpu time spent up to now is 26.9 secs Computing kpt #: 63 total cpu time spent up to now is 27.3 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.0 secs Computing kpt #: 66 total cpu time spent up to now is 28.4 secs Computing kpt #: 67 total cpu time spent up to now is 28.7 secs Computing kpt #: 68 total cpu time spent up to now is 29.1 secs Computing kpt #: 69 total cpu time spent up to now is 29.5 secs Computing kpt #: 70 total cpu time spent up to now is 29.8 secs Computing kpt #: 71 total cpu time spent up to now is 30.2 secs Computing kpt #: 72 total cpu time spent up to now is 30.5 secs Computing kpt #: 73 total cpu time spent up to now is 30.9 secs Computing kpt #: 74 total cpu time spent up to now is 31.2 secs Computing kpt #: 75 total cpu time spent up to now is 31.5 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.5 secs Computing kpt #: 79 total cpu time spent up to now is 32.8 secs Computing kpt #: 80 total cpu time spent up to now is 33.1 secs Computing kpt #: 81 total cpu time spent up to now is 33.4 secs Computing kpt #: 82 total cpu time spent up to now is 33.7 secs Computing kpt #: 83 total cpu time spent up to now is 34.0 secs Computing kpt #: 84 total cpu time spent up to now is 34.2 secs Computing kpt #: 85 total cpu time spent up to now is 34.5 secs Computing kpt #: 86 total cpu time spent up to now is 34.8 secs Computing kpt #: 87 total cpu time spent up to now is 35.1 secs Computing kpt #: 88 total cpu time spent up to now is 35.4 secs Computing kpt #: 89 total cpu time spent up to now is 35.7 secs Computing kpt #: 90 total cpu time spent up to now is 36.0 secs Computing kpt #: 91 total cpu time spent up to now is 36.3 secs Computing kpt #: 92 total cpu time spent up to now is 36.6 secs Computing kpt #: 93 total cpu time spent up to now is 36.9 secs Computing kpt #: 94 total cpu time spent up to now is 37.2 secs Computing kpt #: 95 total cpu time spent up to now is 37.5 secs Computing kpt #: 96 total cpu time spent up to now is 37.8 secs Computing kpt #: 97 total cpu time spent up to now is 38.2 secs Computing kpt #: 98 total cpu time spent up to now is 38.5 secs Computing kpt #: 99 total cpu time spent up to now is 38.8 secs Computing kpt #: 100 total cpu time spent up to now is 39.2 secs Computing kpt #: 101 total cpu time spent up to now is 39.5 secs Computing kpt #: 102 total cpu time spent up to now is 39.9 secs Computing kpt #: 103 total cpu time spent up to now is 40.2 secs Computing kpt #: 104 total cpu time spent up to now is 40.5 secs Computing kpt #: 105 total cpu time spent up to now is 40.9 secs Computing kpt #: 106 total cpu time spent up to now is 41.2 secs Computing kpt #: 107 total cpu time spent up to now is 41.5 secs Computing kpt #: 108 total cpu time spent up to now is 41.9 secs Computing kpt #: 109 total cpu time spent up to now is 42.2 secs Computing kpt #: 110 total cpu time spent up to now is 42.5 secs Computing kpt #: 111 total cpu time spent up to now is 42.9 secs Computing kpt #: 112 total cpu time spent up to now is 43.2 secs Computing kpt #: 113 total cpu time spent up to now is 43.5 secs Computing kpt #: 114 total cpu time spent up to now is 43.9 secs Computing kpt #: 115 total cpu time spent up to now is 44.2 secs Computing kpt #: 116 total cpu time spent up to now is 44.5 secs Computing kpt #: 117 total cpu time spent up to now is 44.8 secs Computing kpt #: 118 total cpu time spent up to now is 45.2 secs Computing kpt #: 119 total cpu time spent up to now is 45.5 secs Computing kpt #: 120 total cpu time spent up to now is 45.9 secs Computing kpt #: 121 total cpu time spent up to now is 46.2 secs Computing kpt #: 122 total cpu time spent up to now is 46.6 secs Computing kpt #: 123 total cpu time spent up to now is 46.9 secs Computing kpt #: 124 total cpu time spent up to now is 47.3 secs Computing kpt #: 125 total cpu time spent up to now is 47.7 secs Computing kpt #: 126 total cpu time spent up to now is 48.1 secs Computing kpt #: 127 total cpu time spent up to now is 48.5 secs Computing kpt #: 128 total cpu time spent up to now is 48.9 secs Computing kpt #: 129 total cpu time spent up to now is 49.3 secs Computing kpt #: 130 total cpu time spent up to now is 49.7 secs Computing kpt #: 131 total cpu time spent up to now is 50.1 secs Computing kpt #: 132 total cpu time spent up to now is 50.4 secs Computing kpt #: 133 total cpu time spent up to now is 50.8 secs Computing kpt #: 134 total cpu time spent up to now is 51.1 secs Computing kpt #: 135 total cpu time spent up to now is 51.4 secs Computing kpt #: 136 total cpu time spent up to now is 51.8 secs Computing kpt #: 137 total cpu time spent up to now is 52.1 secs Computing kpt #: 138 total cpu time spent up to now is 52.4 secs Computing kpt #: 139 total cpu time spent up to now is 52.7 secs Computing kpt #: 140 total cpu time spent up to now is 53.0 secs Computing kpt #: 141 total cpu time spent up to now is 53.3 secs Computing kpt #: 142 total cpu time spent up to now is 53.7 secs Computing kpt #: 143 total cpu time spent up to now is 54.0 secs Computing kpt #: 144 total cpu time spent up to now is 54.3 secs Computing kpt #: 145 total cpu time spent up to now is 54.6 secs Computing kpt #: 146 total cpu time spent up to now is 54.9 secs Computing kpt #: 147 total cpu time spent up to now is 55.3 secs Computing kpt #: 148 total cpu time spent up to now is 55.6 secs Computing kpt #: 149 total cpu time spent up to now is 56.0 secs Computing kpt #: 150 total cpu time spent up to now is 56.5 secs Computing kpt #: 151 total cpu time spent up to now is 56.9 secs Computing kpt #: 152 total cpu time spent up to now is 57.3 secs Computing kpt #: 153 total cpu time spent up to now is 57.7 secs Computing kpt #: 154 total cpu time spent up to now is 58.1 secs Computing kpt #: 155 total cpu time spent up to now is 58.5 secs Computing kpt #: 156 total cpu time spent up to now is 58.9 secs Computing kpt #: 157 total cpu time spent up to now is 59.2 secs Computing kpt #: 158 total cpu time spent up to now is 59.6 secs Computing kpt #: 159 total cpu time spent up to now is 60.0 secs Computing kpt #: 160 total cpu time spent up to now is 60.4 secs Computing kpt #: 161 total cpu time spent up to now is 60.7 secs Computing kpt #: 162 total cpu time spent up to now is 61.1 secs Computing kpt #: 163 total cpu time spent up to now is 61.4 secs Computing kpt #: 164 total cpu time spent up to now is 61.8 secs Computing kpt #: 165 total cpu time spent up to now is 62.2 secs Computing kpt #: 166 total cpu time spent up to now is 62.5 secs Computing kpt #: 167 total cpu time spent up to now is 62.9 secs Computing kpt #: 168 total cpu time spent up to now is 63.2 secs Computing kpt #: 169 total cpu time spent up to now is 63.6 secs Computing kpt #: 170 total cpu time spent up to now is 64.0 secs Computing kpt #: 171 total cpu time spent up to now is 64.4 secs Computing kpt #: 172 total cpu time spent up to now is 64.8 secs Computing kpt #: 173 total cpu time spent up to now is 65.2 secs Computing kpt #: 174 total cpu time spent up to now is 65.6 secs Computing kpt #: 175 total cpu time spent up to now is 65.9 secs Computing kpt #: 176 total cpu time spent up to now is 66.3 secs Computing kpt #: 177 total cpu time spent up to now is 66.7 secs Computing kpt #: 178 total cpu time spent up to now is 67.1 secs Computing kpt #: 179 total cpu time spent up to now is 67.5 secs Computing kpt #: 180 total cpu time spent up to now is 67.9 secs Computing kpt #: 181 total cpu time spent up to now is 68.3 secs Computing kpt #: 182 total cpu time spent up to now is 68.7 secs Computing kpt #: 183 total cpu time spent up to now is 69.0 secs Computing kpt #: 184 total cpu time spent up to now is 69.4 secs Computing kpt #: 185 total cpu time spent up to now is 69.8 secs Computing kpt #: 186 total cpu time spent up to now is 70.2 secs Computing kpt #: 187 total cpu time spent up to now is 70.6 secs Computing kpt #: 188 total cpu time spent up to now is 71.0 secs Computing kpt #: 189 total cpu time spent up to now is 71.4 secs Computing kpt #: 190 total cpu time spent up to now is 71.8 secs Computing kpt #: 191 total cpu time spent up to now is 72.1 secs Computing kpt #: 192 total cpu time spent up to now is 72.4 secs Computing kpt #: 193 total cpu time spent up to now is 72.8 secs Computing kpt #: 194 total cpu time spent up to now is 73.1 secs Computing kpt #: 195 total cpu time spent up to now is 73.4 secs Computing kpt #: 196 total cpu time spent up to now is 73.7 secs Computing kpt #: 197 total cpu time spent up to now is 74.0 secs Computing kpt #: 198 total cpu time spent up to now is 74.3 secs Computing kpt #: 199 total cpu time spent up to now is 74.6 secs Computing kpt #: 200 total cpu time spent up to now is 75.0 secs Computing kpt #: 201 total cpu time spent up to now is 75.3 secs Computing kpt #: 202 total cpu time spent up to now is 75.6 secs Computing kpt #: 203 total cpu time spent up to now is 76.0 secs Computing kpt #: 204 total cpu time spent up to now is 76.3 secs Computing kpt #: 205 total cpu time spent up to now is 76.6 secs Computing kpt #: 206 total cpu time spent up to now is 77.0 secs Computing kpt #: 207 total cpu time spent up to now is 77.3 secs Computing kpt #: 208 total cpu time spent up to now is 77.7 secs Computing kpt #: 209 total cpu time spent up to now is 78.0 secs Computing kpt #: 210 total cpu time spent up to now is 78.4 secs Computing kpt #: 211 total cpu time spent up to now is 78.8 secs Computing kpt #: 212 total cpu time spent up to now is 79.1 secs Computing kpt #: 213 total cpu time spent up to now is 79.5 secs Computing kpt #: 214 total cpu time spent up to now is 79.8 secs Computing kpt #: 215 total cpu time spent up to now is 80.1 secs Computing kpt #: 216 total cpu time spent up to now is 80.5 secs Computing kpt #: 217 total cpu time spent up to now is 80.8 secs Computing kpt #: 218 total cpu time spent up to now is 81.1 secs Computing kpt #: 219 total cpu time spent up to now is 81.5 secs Computing kpt #: 220 total cpu time spent up to now is 81.8 secs Computing kpt #: 221 total cpu time spent up to now is 82.1 secs Computing kpt #: 222 total cpu time spent up to now is 82.5 secs Computing kpt #: 223 total cpu time spent up to now is 82.9 secs Computing kpt #: 224 total cpu time spent up to now is 83.3 secs Computing kpt #: 225 total cpu time spent up to now is 83.7 secs Computing kpt #: 226 total cpu time spent up to now is 84.1 secs Computing kpt #: 227 total cpu time spent up to now is 84.5 secs Computing kpt #: 228 total cpu time spent up to now is 84.9 secs Computing kpt #: 229 total cpu time spent up to now is 85.3 secs Computing kpt #: 230 total cpu time spent up to now is 85.6 secs Computing kpt #: 231 total cpu time spent up to now is 86.0 secs Computing kpt #: 232 total cpu time spent up to now is 86.3 secs Computing kpt #: 233 total cpu time spent up to now is 86.6 secs Computing kpt #: 234 total cpu time spent up to now is 86.9 secs Computing kpt #: 235 total cpu time spent up to now is 87.2 secs Computing kpt #: 236 total cpu time spent up to now is 87.6 secs Computing kpt #: 237 total cpu time spent up to now is 87.9 secs Computing kpt #: 238 total cpu time spent up to now is 88.2 secs Computing kpt #: 239 total cpu time spent up to now is 88.5 secs Computing kpt #: 240 total cpu time spent up to now is 88.8 secs Computing kpt #: 241 total cpu time spent up to now is 89.1 secs Computing kpt #: 242 total cpu time spent up to now is 89.4 secs Computing kpt #: 243 total cpu time spent up to now is 89.8 secs Computing kpt #: 244 total cpu time spent up to now is 90.1 secs Computing kpt #: 245 total cpu time spent up to now is 90.4 secs Computing kpt #: 246 total cpu time spent up to now is 90.7 secs Computing kpt #: 247 total cpu time spent up to now is 91.0 secs Computing kpt #: 248 total cpu time spent up to now is 91.4 secs Computing kpt #: 249 total cpu time spent up to now is 91.7 secs Computing kpt #: 250 total cpu time spent up to now is 92.0 secs Computing kpt #: 251 total cpu time spent up to now is 92.3 secs Computing kpt #: 252 total cpu time spent up to now is 92.6 secs Computing kpt #: 253 total cpu time spent up to now is 93.0 secs Computing kpt #: 254 total cpu time spent up to now is 93.3 secs Computing kpt #: 255 total cpu time spent up to now is 93.6 secs Computing kpt #: 256 total cpu time spent up to now is 93.9 secs Computing kpt #: 257 total cpu time spent up to now is 94.3 secs Computing kpt #: 258 total cpu time spent up to now is 94.6 secs Computing kpt #: 259 total cpu time spent up to now is 94.9 secs Computing kpt #: 260 total cpu time spent up to now is 95.3 secs Computing kpt #: 261 total cpu time spent up to now is 95.6 secs Computing kpt #: 262 total cpu time spent up to now is 95.9 secs Computing kpt #: 263 total cpu time spent up to now is 96.3 secs Computing kpt #: 264 total cpu time spent up to now is 96.6 secs Computing kpt #: 265 total cpu time spent up to now is 97.0 secs Computing kpt #: 266 total cpu time spent up to now is 97.3 secs Computing kpt #: 267 total cpu time spent up to now is 97.6 secs Computing kpt #: 268 total cpu time spent up to now is 98.0 secs Computing kpt #: 269 total cpu time spent up to now is 98.3 secs Computing kpt #: 270 total cpu time spent up to now is 98.7 secs Computing kpt #: 271 total cpu time spent up to now is 99.0 secs Computing kpt #: 272 total cpu time spent up to now is 99.3 secs Computing kpt #: 273 total cpu time spent up to now is 99.7 secs Computing kpt #: 274 total cpu time spent up to now is 100.1 secs Computing kpt #: 275 total cpu time spent up to now is 100.5 secs Computing kpt #: 276 total cpu time spent up to now is 100.8 secs Computing kpt #: 277 total cpu time spent up to now is 101.2 secs Computing kpt #: 278 total cpu time spent up to now is 101.6 secs Computing kpt #: 279 total cpu time spent up to now is 102.0 secs Computing kpt #: 280 total cpu time spent up to now is 102.3 secs Computing kpt #: 281 total cpu time spent up to now is 102.7 secs Computing kpt #: 282 total cpu time spent up to now is 103.0 secs Computing kpt #: 283 total cpu time spent up to now is 103.3 secs Computing kpt #: 284 total cpu time spent up to now is 103.7 secs Computing kpt #: 285 total cpu time spent up to now is 104.0 secs Computing kpt #: 286 total cpu time spent up to now is 104.4 secs Computing kpt #: 287 total cpu time spent up to now is 104.7 secs Computing kpt #: 288 total cpu time spent up to now is 105.0 secs Computing kpt #: 289 total cpu time spent up to now is 105.4 secs Computing kpt #: 290 total cpu time spent up to now is 105.7 secs Computing kpt #: 291 total cpu time spent up to now is 106.0 secs Computing kpt #: 292 total cpu time spent up to now is 106.3 secs Computing kpt #: 293 total cpu time spent up to now is 106.7 secs Computing kpt #: 294 total cpu time spent up to now is 107.0 secs Computing kpt #: 295 total cpu time spent up to now is 107.3 secs Computing kpt #: 296 total cpu time spent up to now is 107.6 secs Computing kpt #: 297 total cpu time spent up to now is 107.9 secs Computing kpt #: 298 total cpu time spent up to now is 108.3 secs Computing kpt #: 299 total cpu time spent up to now is 108.6 secs Computing kpt #: 300 total cpu time spent up to now is 108.9 secs Computing kpt #: 301 total cpu time spent up to now is 109.2 secs Computing kpt #: 302 total cpu time spent up to now is 109.5 secs Computing kpt #: 303 total cpu time spent up to now is 109.9 secs Computing kpt #: 304 total cpu time spent up to now is 110.2 secs Computing kpt #: 305 total cpu time spent up to now is 110.5 secs Computing kpt #: 306 total cpu time spent up to now is 111.0 secs Computing kpt #: 307 total cpu time spent up to now is 111.4 secs Computing kpt #: 308 total cpu time spent up to now is 111.7 secs Computing kpt #: 309 total cpu time spent up to now is 112.0 secs Computing kpt #: 310 total cpu time spent up to now is 112.4 secs Computing kpt #: 311 total cpu time spent up to now is 112.7 secs Computing kpt #: 312 total cpu time spent up to now is 113.1 secs Computing kpt #: 313 total cpu time spent up to now is 113.4 secs Computing kpt #: 314 total cpu time spent up to now is 113.8 secs Computing kpt #: 315 total cpu time spent up to now is 114.2 secs Computing kpt #: 316 total cpu time spent up to now is 114.6 secs Computing kpt #: 317 total cpu time spent up to now is 115.1 secs Computing kpt #: 318 total cpu time spent up to now is 115.5 secs Computing kpt #: 319 total cpu time spent up to now is 116.0 secs Computing kpt #: 320 total cpu time spent up to now is 116.4 secs Computing kpt #: 321 total cpu time spent up to now is 116.9 secs Computing kpt #: 322 total cpu time spent up to now is 117.5 secs Computing kpt #: 323 total cpu time spent up to now is 118.0 secs Computing kpt #: 324 total cpu time spent up to now is 118.6 secs Computing kpt #: 325 total cpu time spent up to now is 119.1 secs Computing kpt #: 326 total cpu time spent up to now is 119.6 secs Computing kpt #: 327 total cpu time spent up to now is 120.1 secs Computing kpt #: 328 total cpu time spent up to now is 120.5 secs Computing kpt #: 329 total cpu time spent up to now is 120.9 secs Computing kpt #: 330 total cpu time spent up to now is 121.3 secs Computing kpt #: 331 total cpu time spent up to now is 121.7 secs Computing kpt #: 332 total cpu time spent up to now is 122.1 secs Computing kpt #: 333 total cpu time spent up to now is 122.4 secs Computing kpt #: 334 total cpu time spent up to now is 122.7 secs Computing kpt #: 335 total cpu time spent up to now is 123.0 secs Computing kpt #: 336 total cpu time spent up to now is 123.4 secs Computing kpt #: 337 total cpu time spent up to now is 123.7 secs Computing kpt #: 338 total cpu time spent up to now is 124.0 secs Computing kpt #: 339 total cpu time spent up to now is 124.3 secs Computing kpt #: 340 total cpu time spent up to now is 124.6 secs Computing kpt #: 341 total cpu time spent up to now is 124.9 secs Computing kpt #: 342 total cpu time spent up to now is 125.2 secs Computing kpt #: 343 total cpu time spent up to now is 125.5 secs Computing kpt #: 344 total cpu time spent up to now is 125.9 secs Computing kpt #: 345 total cpu time spent up to now is 126.3 secs Computing kpt #: 346 total cpu time spent up to now is 126.6 secs Computing kpt #: 347 total cpu time spent up to now is 127.0 secs Computing kpt #: 348 total cpu time spent up to now is 127.4 secs Computing kpt #: 349 total cpu time spent up to now is 127.8 secs Computing kpt #: 350 total cpu time spent up to now is 128.1 secs Computing kpt #: 351 total cpu time spent up to now is 128.5 secs Computing kpt #: 352 total cpu time spent up to now is 128.9 secs Computing kpt #: 353 total cpu time spent up to now is 129.3 secs Computing kpt #: 354 total cpu time spent up to now is 129.6 secs Computing kpt #: 355 total cpu time spent up to now is 130.0 secs Computing kpt #: 356 total cpu time spent up to now is 130.4 secs Computing kpt #: 357 total cpu time spent up to now is 130.7 secs Computing kpt #: 358 total cpu time spent up to now is 131.0 secs Computing kpt #: 359 total cpu time spent up to now is 131.4 secs Computing kpt #: 360 total cpu time spent up to now is 131.7 secs Computing kpt #: 361 total cpu time spent up to now is 132.0 secs Computing kpt #: 362 total cpu time spent up to now is 132.3 secs Computing kpt #: 363 total cpu time spent up to now is 132.7 secs Computing kpt #: 364 total cpu time spent up to now is 133.0 secs Computing kpt #: 365 total cpu time spent up to now is 133.3 secs Computing kpt #: 366 total cpu time spent up to now is 133.6 secs Computing kpt #: 367 total cpu time spent up to now is 133.9 secs Computing kpt #: 368 total cpu time spent up to now is 134.2 secs Computing kpt #: 369 total cpu time spent up to now is 134.6 secs Computing kpt #: 370 total cpu time spent up to now is 134.9 secs Computing kpt #: 371 total cpu time spent up to now is 135.2 secs Computing kpt #: 372 total cpu time spent up to now is 135.5 secs Computing kpt #: 373 total cpu time spent up to now is 135.8 secs Computing kpt #: 374 total cpu time spent up to now is 136.2 secs Computing kpt #: 375 total cpu time spent up to now is 136.6 secs Computing kpt #: 376 total cpu time spent up to now is 136.9 secs Computing kpt #: 377 total cpu time spent up to now is 137.3 secs Computing kpt #: 378 total cpu time spent up to now is 137.7 secs Computing kpt #: 379 total cpu time spent up to now is 138.1 secs Computing kpt #: 380 total cpu time spent up to now is 138.5 secs Computing kpt #: 381 total cpu time spent up to now is 138.9 secs Computing kpt #: 382 total cpu time spent up to now is 139.3 secs Computing kpt #: 383 total cpu time spent up to now is 139.7 secs Computing kpt #: 384 total cpu time spent up to now is 140.0 secs Computing kpt #: 385 total cpu time spent up to now is 140.4 secs Computing kpt #: 386 total cpu time spent up to now is 140.7 secs Computing kpt #: 387 total cpu time spent up to now is 141.0 secs Computing kpt #: 388 total cpu time spent up to now is 141.4 secs Computing kpt #: 389 total cpu time spent up to now is 141.7 secs Computing kpt #: 390 total cpu time spent up to now is 142.0 secs Computing kpt #: 391 total cpu time spent up to now is 142.3 secs Computing kpt #: 392 total cpu time spent up to now is 142.6 secs Computing kpt #: 393 total cpu time spent up to now is 142.9 secs Computing kpt #: 394 total cpu time spent up to now is 143.2 secs Computing kpt #: 395 total cpu time spent up to now is 143.5 secs Computing kpt #: 396 total cpu time spent up to now is 143.9 secs Computing kpt #: 397 total cpu time spent up to now is 144.2 secs Computing kpt #: 398 total cpu time spent up to now is 144.5 secs Computing kpt #: 399 total cpu time spent up to now is 144.9 secs Computing kpt #: 400 total cpu time spent up to now is 145.2 secs Computing kpt #: 401 total cpu time spent up to now is 145.5 secs Computing kpt #: 402 total cpu time spent up to now is 145.9 secs Computing kpt #: 403 total cpu time spent up to now is 146.2 secs Computing kpt #: 404 total cpu time spent up to now is 146.6 secs Computing kpt #: 405 total cpu time spent up to now is 146.9 secs Computing kpt #: 406 total cpu time spent up to now is 147.2 secs Computing kpt #: 407 total cpu time spent up to now is 147.6 secs Computing kpt #: 408 total cpu time spent up to now is 147.9 secs Computing kpt #: 409 total cpu time spent up to now is 148.3 secs Computing kpt #: 410 total cpu time spent up to now is 148.6 secs Computing kpt #: 411 total cpu time spent up to now is 149.0 secs Computing kpt #: 412 total cpu time spent up to now is 149.3 secs Computing kpt #: 413 total cpu time spent up to now is 149.7 secs Computing kpt #: 414 total cpu time spent up to now is 150.0 secs Computing kpt #: 415 total cpu time spent up to now is 150.3 secs Computing kpt #: 416 total cpu time spent up to now is 150.7 secs Computing kpt #: 417 total cpu time spent up to now is 151.0 secs Computing kpt #: 418 total cpu time spent up to now is 151.4 secs Computing kpt #: 419 total cpu time spent up to now is 151.7 secs Computing kpt #: 420 total cpu time spent up to now is 152.0 secs Computing kpt #: 421 total cpu time spent up to now is 152.4 secs Computing kpt #: 422 total cpu time spent up to now is 152.7 secs Computing kpt #: 423 total cpu time spent up to now is 152.9 secs Computing kpt #: 424 total cpu time spent up to now is 153.2 secs Computing kpt #: 425 total cpu time spent up to now is 153.5 secs Computing kpt #: 426 total cpu time spent up to now is 153.8 secs Computing kpt #: 427 total cpu time spent up to now is 154.1 secs Computing kpt #: 428 total cpu time spent up to now is 154.4 secs Computing kpt #: 429 total cpu time spent up to now is 154.7 secs Computing kpt #: 430 total cpu time spent up to now is 155.0 secs Computing kpt #: 431 total cpu time spent up to now is 155.3 secs Computing kpt #: 432 total cpu time spent up to now is 155.6 secs Computing kpt #: 433 total cpu time spent up to now is 155.9 secs Computing kpt #: 434 total cpu time spent up to now is 156.2 secs Computing kpt #: 435 total cpu time spent up to now is 156.6 secs Computing kpt #: 436 total cpu time spent up to now is 156.9 secs Computing kpt #: 437 total cpu time spent up to now is 157.2 secs Computing kpt #: 438 total cpu time spent up to now is 157.5 secs Computing kpt #: 439 total cpu time spent up to now is 157.9 secs Computing kpt #: 440 total cpu time spent up to now is 158.2 secs Computing kpt #: 441 total cpu time spent up to now is 158.5 secs Computing kpt #: 442 total cpu time spent up to now is 158.9 secs Computing kpt #: 443 total cpu time spent up to now is 159.2 secs Computing kpt #: 444 total cpu time spent up to now is 159.5 secs Computing kpt #: 445 total cpu time spent up to now is 159.9 secs Computing kpt #: 446 total cpu time spent up to now is 160.3 secs Computing kpt #: 447 total cpu time spent up to now is 160.6 secs Computing kpt #: 448 total cpu time spent up to now is 160.9 secs ethr = 2.78E-08, avg # of iterations = 20.8 total cpu time spent up to now is 160.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3115 PWs) bands (ev): -2.0106 -2.0106 0.2133 0.2133 1.9973 1.9973 2.2393 2.2393 3.5486 3.5486 4.4920 4.4920 4.6776 4.6776 5.8808 5.8808 5.9838 5.9838 6.7477 6.7477 7.1445 7.1445 7.3489 7.3489 7.6618 7.6618 8.1009 8.1009 8.3158 8.3158 8.4431 8.4431 8.5165 8.5165 8.6655 8.6655 12.2969 12.2969 15.1668 15.1668 15.9166 15.9166 16.3128 16.3128 k = 0.0091-0.0000-0.0000 ( 3113 PWs) bands (ev): -2.0091 -2.0091 0.2147 0.2147 1.9980 1.9980 2.2400 2.2400 3.5509 3.5509 4.4930 4.4930 4.6794 4.6794 5.8811 5.8811 5.9841 5.9841 6.7477 6.7477 7.1245 7.1245 7.3683 7.3683 7.6590 7.6590 8.1004 8.1004 8.3098 8.3098 8.4430 8.4430 8.5265 8.5265 8.6654 8.6654 12.2969 12.2969 15.1507 15.1507 15.9183 15.9183 16.3133 16.3133 k = 0.0182-0.0000-0.0000 ( 3121 PWs) bands (ev): -2.0045 -2.0045 0.2188 0.2188 2.0001 2.0001 2.2422 2.2422 3.5577 3.5577 4.4960 4.4960 4.6850 4.6850 5.8822 5.8822 5.9849 5.9849 6.7477 6.7477 7.0783 7.0783 7.4129 7.4129 7.6507 7.6507 8.0988 8.0988 8.2946 8.2946 8.4436 8.4436 8.5525 8.5525 8.6653 8.6653 12.2968 12.2968 15.1030 15.1030 15.9233 15.9233 16.3147 16.3147 k = 0.0273-0.0000-0.0000 ( 3121 PWs) bands (ev): -1.9969 -1.9969 0.2257 0.2257 2.0037 2.0037 2.2460 2.2460 3.5691 3.5691 4.5010 4.5010 4.6943 4.6943 5.8839 5.8839 5.9863 5.9863 6.7476 6.7476 7.0216 7.0216 7.4660 7.4660 7.6380 7.6380 8.0962 8.0962 8.2756 8.2756 8.4455 8.4455 8.5865 8.5865 8.6673 8.6673 12.2965 12.2965 15.0259 15.0259 15.9315 15.9315 16.3169 16.3169 k = 0.0364-0.0000-0.0000 ( 3121 PWs) bands (ev): -1.9862 -1.9862 0.2352 0.2352 2.0087 2.0087 2.2512 2.2512 3.5850 3.5850 4.5079 4.5079 4.7073 4.7073 5.8863 5.8863 5.9882 5.9882 6.7473 6.7473 6.9611 6.9611 7.5183 7.5183 7.6235 7.6235 8.0926 8.0926 8.2567 8.2567 8.4488 8.4488 8.6171 8.6171 8.6786 8.6786 12.2962 12.2962 14.9223 14.9223 15.9421 15.9421 16.3197 16.3197 k = 0.0455-0.0000-0.0000 ( 3123 PWs) bands (ev): -1.9726 -1.9726 0.2475 0.2475 2.0151 2.0151 2.2579 2.2579 3.6054 3.6054 4.5168 4.5168 4.7240 4.7240 5.8892 5.8892 5.9905 5.9905 6.7467 6.7467 6.8995 6.8995 7.5527 7.5527 7.6221 7.6221 8.0884 8.0884 8.2399 8.2399 8.4534 8.4534 8.6300 8.6300 8.7116 8.7116 12.2956 12.2956 14.7959 14.7959 15.9541 15.9541 16.3225 16.3225 k = 0.0545-0.0000-0.0000 ( 3119 PWs) bands (ev): -1.9558 -1.9558 0.2626 0.2626 2.0229 2.0229 2.2660 2.2660 3.6303 3.6303 4.5275 4.5275 4.7443 4.7443 5.8927 5.8927 5.9933 5.9933 6.7450 6.7450 6.8386 6.8386 7.5448 7.5448 7.6566 7.6566 8.0838 8.0838 8.2264 8.2264 8.4591 8.4591 8.6307 8.6307 8.7598 8.7598 12.2949 12.2949 14.6503 14.6503 15.9649 15.9649 16.3237 16.3237 k = 0.0636-0.0000-0.0000 ( 3107 PWs) bands (ev): -1.9361 -1.9361 0.2803 0.2803 2.0320 2.0320 2.2756 2.2756 3.6596 3.6596 4.5401 4.5401 4.7682 4.7682 5.8967 5.8967 5.9964 5.9964 6.7382 6.7382 6.7831 6.7831 7.5182 7.5182 7.7024 7.7024 8.0794 8.0794 8.2172 8.2172 8.4660 8.4660 8.6276 8.6276 8.8142 8.8142 12.2938 12.2938 14.4894 14.4894 15.9681 15.9681 16.3160 16.3160 k = 0.0727-0.0000-0.0000 ( 3103 PWs) bands (ev): -1.9133 -1.9133 0.3007 0.3007 2.0425 2.0425 2.2866 2.2866 3.6934 3.6934 4.5545 4.5545 4.7955 4.7955 5.9009 5.9009 5.9997 5.9997 6.7031 6.7031 6.7566 6.7566 7.4859 7.4859 7.7448 7.7448 8.0761 8.0761 8.2130 8.2130 8.4739 8.4739 8.6236 8.6236 8.8719 8.8719 12.2923 12.2923 14.3163 14.3163 15.9481 15.9481 16.2688 16.2688 k = 0.0818-0.0000-0.0000 ( 3103 PWs) bands (ev): -1.8875 -1.8875 0.3238 0.3238 2.0542 2.0542 2.2989 2.2989 3.7316 3.7316 4.5706 4.5706 4.8262 4.8262 5.9053 5.9053 6.0030 6.0030 6.6479 6.6479 6.7516 6.7516 7.4509 7.4509 7.7791 7.7791 8.0741 8.0741 8.2151 8.2151 8.4824 8.4824 8.6203 8.6203 8.9319 8.9319 12.2902 12.2902 14.1342 14.1342 15.8774 15.8774 16.2152 16.2152 k = 0.0909-0.0000-0.0000 ( 3097 PWs) bands (ev): -1.8587 -1.8587 0.3495 0.3495 2.0672 2.0672 2.3126 2.3126 3.7741 3.7741 4.5885 4.5885 4.8602 4.8602 5.9096 5.9096 6.0063 6.0063 6.5917 6.5917 6.7492 6.7492 7.4145 7.4145 7.8028 7.8028 8.0734 8.0734 8.2248 8.2248 8.4911 8.4911 8.6192 8.6192 8.9935 8.9935 12.2873 12.2873 13.9458 13.9458 15.7495 15.7495 16.1961 16.1961 k = 0.1000-0.0000-0.0000 ( 3093 PWs) bands (ev): -1.8270 -1.8270 0.3779 0.3779 2.0814 2.0814 2.3276 2.3276 3.8210 3.8210 4.6081 4.6081 4.8973 4.8973 5.9134 5.9134 6.0094 6.0094 6.5374 6.5374 6.7470 6.7470 7.3774 7.3774 7.8150 7.8150 8.0726 8.0726 8.2430 8.2430 8.4987 8.4987 8.6222 8.6222 9.0563 9.0563 12.2831 12.2831 13.7536 13.7536 15.5867 15.5867 16.1942 16.1942 k = 0.1091-0.0000-0.0000 ( 3097 PWs) bands (ev): -1.7922 -1.7922 0.4088 0.4088 2.0968 2.0968 2.3439 2.3439 3.8721 3.8721 4.6294 4.6294 4.9372 4.9372 5.9164 5.9164 6.0119 6.0119 6.4863 6.4863 6.7445 6.7445 7.3403 7.3403 7.8170 7.8170 8.0705 8.0705 8.2686 8.2686 8.5040 8.5040 8.6317 8.6317 9.1201 9.1201 12.2771 12.2771 13.5600 13.5600 15.4058 15.4058 16.1908 16.1908 k = 0.1182-0.0000-0.0000 ( 3095 PWs) bands (ev): -1.7545 -1.7545 0.4424 0.4424 2.1133 2.1133 2.3613 2.3613 3.9273 3.9273 4.6522 4.6522 4.9797 4.9797 5.9180 5.9180 6.0137 6.0137 6.4395 6.4395 6.7413 6.7413 7.3039 7.3039 7.8110 7.8110 8.0662 8.0662 8.2992 8.2992 8.5062 8.5062 8.6496 8.6496 9.1846 9.1846 12.2681 12.2681 13.3675 13.3675 15.2149 15.2149 16.1753 16.1753 k = 0.1273-0.0000-0.0000 ( 3095 PWs) bands (ev): -1.7139 -1.7139 0.4785 0.4785 2.1308 2.1308 2.3799 2.3799 3.9867 3.9867 4.6767 4.6767 5.0246 5.0246 5.9171 5.9171 6.0147 6.0147 6.3980 6.3980 6.7372 6.7372 7.2685 7.2685 7.7990 7.7990 8.0597 8.0597 8.3314 8.3314 8.5053 8.5053 8.6767 8.6767 9.2496 9.2496 12.2546 12.2546 13.1793 13.1793 15.0179 15.0179 16.1424 16.1424 k = 0.1364-0.0000-0.0000 ( 3095 PWs) bands (ev): -1.6703 -1.6703 0.5171 0.5171 2.1493 2.1493 2.3996 2.3996 4.0500 4.0500 4.7027 4.7027 5.0714 5.0714 5.9128 5.9128 6.0149 6.0149 6.3632 6.3632 6.7322 6.7322 7.2347 7.2347 7.7830 7.7830 8.0513 8.0513 8.3628 8.3628 8.5025 8.5025 8.7126 8.7126 9.3150 9.3150 12.2333 12.2333 12.9998 12.9998 14.8174 14.8174 16.0896 16.0896 k = 0.1455-0.0000-0.0000 ( 3095 PWs) bands (ev): -1.6238 -1.6238 0.5582 0.5582 2.1687 2.1687 2.4203 2.4203 4.1173 4.1173 4.7302 4.7302 5.1197 5.1197 5.9040 5.9040 6.0144 6.0144 6.3361 6.3361 6.7260 6.7260 7.2028 7.2028 7.7640 7.7640 8.0411 8.0411 8.3913 8.3913 8.4991 8.4991 8.7565 8.7565 9.3804 9.3804 12.1985 12.1985 12.8355 12.8355 14.6152 14.6152 16.0155 16.0155 k = 0.1545-0.0000-0.0000 ( 3095 PWs) bands (ev): -1.5745 -1.5745 0.6018 0.6018 2.1890 2.1890 2.4420 2.4420 4.1883 4.1883 4.7591 4.7591 5.1689 5.1689 5.8899 5.8899 6.0135 6.0135 6.3173 6.3173 6.7186 6.7186 7.1731 7.1731 7.7430 7.7430 8.0295 8.0295 8.4155 8.4155 8.4967 8.4967 8.8071 8.8071 9.4457 9.4457 12.1414 12.1414 12.6965 12.6965 14.4124 14.4124 15.9204 15.9204 k = 0.1636-0.0000-0.0000 ( 3105 PWs) bands (ev): -1.5222 -1.5222 0.6478 0.6478 2.2100 2.2100 2.4645 2.4645 4.2629 4.2629 4.7895 4.7895 5.2183 5.2183 5.8707 5.8707 6.0123 6.0123 6.3068 6.3068 6.7099 6.7099 7.1461 7.1461 7.7205 7.7205 8.0165 8.0165 8.4334 8.4334 8.4977 8.4977 8.8633 8.8633 9.5106 9.5106 12.0528 12.0528 12.5927 12.5927 14.2103 14.2103 15.8059 15.8059 k = 0.1727-0.0000-0.0000 ( 3105 PWs) bands (ev): -1.4671 -1.4671 0.6961 0.6961 2.2317 2.2317 2.4878 2.4878 4.3409 4.3409 4.8213 4.8213 5.2671 5.2671 5.8477 5.8477 6.0109 6.0109 6.3038 6.3038 6.7001 6.7001 7.1219 7.1219 7.6970 7.6970 8.0025 8.0025 8.4427 8.4427 8.5050 8.5050 8.9236 8.9236 9.5751 9.5751 11.9326 11.9326 12.5251 12.5251 14.0096 14.0096 15.6751 15.6751 k = 0.1818-0.0000-0.0000 ( 3097 PWs) bands (ev): -1.4092 -1.4092 0.7468 0.7468 2.2541 2.2541 2.5118 2.5118 4.4221 4.4221 4.8546 4.8546 5.3139 5.3139 5.8227 5.8227 6.0088 6.0088 6.3070 6.3070 6.6894 6.6894 7.1006 7.1006 7.6728 7.6728 7.9877 7.9877 8.4443 8.4443 8.5182 8.5182 8.9871 8.9871 9.6388 9.6388 11.7909 11.7909 12.4844 12.4844 13.8113 13.8113 15.5318 15.5318 k = 0.1909-0.0000-0.0000 ( 3101 PWs) bands (ev): -1.3485 -1.3485 0.7997 0.7997 2.2770 2.2770 2.5364 2.5364 4.5061 4.5061 4.8893 4.8893 5.3572 5.3572 5.7984 5.7984 6.0056 6.0056 6.3151 6.3151 6.6785 6.6785 7.0823 7.0823 7.6482 7.6482 7.9721 7.9721 8.4416 8.4416 8.5345 8.5345 9.0528 9.0528 9.7014 9.7014 11.6389 11.6389 12.4601 12.4601 13.6159 13.6159 15.3794 15.3794 k = 0.2000-0.0000-0.0000 ( 3101 PWs) bands (ev): -1.2850 -1.2850 0.8549 0.8549 2.3003 2.3003 2.5614 2.5614 4.5923 4.5923 4.9257 4.9257 5.3947 5.3947 5.7775 5.7775 6.0011 6.0011 6.3266 6.3266 6.6682 6.6682 7.0668 7.0668 7.6233 7.6233 7.9561 7.9561 8.4370 8.4370 8.5517 8.5517 9.1199 9.1199 9.7626 9.7626 11.4845 11.4845 12.4452 12.4452 13.4244 13.4244 15.2210 15.2210 k = 0.2091-0.0000-0.0000 ( 3097 PWs) bands (ev): -1.2188 -1.2188 0.9121 0.9121 2.3240 2.3240 2.5867 2.5867 4.6801 4.6801 4.9641 4.9641 5.4239 5.4239 5.7631 5.7631 5.9948 5.9948 6.3396 6.3396 6.6601 6.6601 7.0542 7.0542 7.5984 7.5984 7.9399 7.9399 8.4315 8.4315 8.5690 8.5690 9.1878 9.1878 9.8220 9.8220 11.3320 11.3320 12.4358 12.4358 13.2373 13.2373 15.0589 15.0589 k = 0.2182-0.0000-0.0000 ( 3097 PWs) bands (ev): -1.1498 -1.1498 0.9715 0.9715 2.3479 2.3479 2.6123 2.6123 4.7680 4.7680 5.0053 5.0053 5.4420 5.4420 5.7580 5.7580 5.9865 5.9865 6.3518 6.3518 6.6561 6.6561 7.0441 7.0441 7.5735 7.5735 7.9237 7.9237 8.4259 8.4259 8.5859 8.5859 9.2559 9.2559 9.8794 9.8794 11.1844 11.1844 12.4295 12.4295 13.0556 13.0556 14.8948 14.8948 k = 0.2273-0.0000-0.0000 ( 3099 PWs) bands (ev): -1.0781 -1.0781 1.0328 1.0328 2.3720 2.3720 2.6379 2.6379 4.8537 4.8537 5.0511 5.0511 5.4484 5.4484 5.7632 5.7632 5.9759 5.9759 6.3605 6.3605 6.6588 6.6588 7.0365 7.0365 7.5489 7.5489 7.9078 7.9078 8.4203 8.4203 8.6023 8.6023 9.3236 9.3236 9.9342 9.9342 11.0436 11.0436 12.4246 12.4246 12.8803 12.8803 14.7299 14.7299 k = 0.2364-0.0000-0.0000 ( 3109 PWs) bands (ev): -1.0038 -1.0038 1.0960 1.0960 2.3962 2.3962 2.6634 2.6634 4.9332 4.9332 5.1044 5.1044 5.4451 5.4451 5.7770 5.7770 5.9629 5.9629 6.3635 6.3635 6.6704 6.6704 7.0311 7.0311 7.5247 7.5247 7.8923 7.8923 8.4151 8.4151 8.6181 8.6181 9.3903 9.3903 9.9859 9.9859 10.9107 10.9107 12.4187 12.4187 12.7138 12.7138 14.5653 14.5653 k = 0.2455-0.0000-0.0000 ( 3105 PWs) bands (ev): -0.9269 -0.9269 1.1609 1.1609 2.4204 2.4204 2.6887 2.6887 5.0014 5.0014 5.1684 5.1684 5.4363 5.4363 5.7954 5.7954 5.9480 5.9480 6.3593 6.3593 6.6919 6.6919 7.0277 7.0277 7.5012 7.5012 7.8776 7.8776 8.4105 8.4105 8.6333 8.6333 9.4554 9.4554 10.0340 10.0340 10.7868 10.7868 12.4035 12.4035 12.5645 12.5645 14.4019 14.4019 k = 0.2545-0.0000-0.0000 ( 3093 PWs) bands (ev): -0.8473 -0.8473 1.2276 1.2276 2.4445 2.4445 2.7136 2.7136 5.0566 5.0566 5.2409 5.2409 5.4285 5.4285 5.8137 5.8137 5.9325 5.9325 6.3483 6.3483 6.7226 6.7226 7.0263 7.0263 7.4787 7.4787 7.8638 7.8638 8.4068 8.4068 8.6479 8.6479 9.5183 9.5183 10.0780 10.0780 10.6726 10.6726 12.3375 12.3375 12.4742 12.4742 14.2408 14.2408 k = 0.2636-0.0000-0.0000 ( 3097 PWs) bands (ev): -0.7652 -0.7652 1.2957 1.2957 2.4684 2.4684 2.7379 2.7379 5.1010 5.1010 5.3067 5.3067 5.4355 5.4355 5.8257 5.8257 5.9207 5.9207 6.3320 6.3320 6.7604 6.7604 7.0268 7.0268 7.4575 7.4575 7.8513 7.8513 8.4044 8.4044 8.6620 8.6620 9.5782 9.5782 10.1172 10.1172 10.5684 10.5684 12.2105 12.2105 12.4535 12.4535 14.0832 14.0832 k = 0.2727-0.0000-0.0000 ( 3097 PWs) bands (ev): -0.6807 -0.6807 1.3653 1.3653 2.4921 2.4921 2.7616 2.7616 5.1374 5.1374 5.3372 5.3372 5.4822 5.4822 5.8236 5.8236 5.9200 5.9200 6.3121 6.3121 6.8031 6.8031 7.0292 7.0292 7.4383 7.4383 7.8402 7.8402 8.4037 8.4037 8.6758 8.6758 9.6342 9.6342 10.1509 10.1509 10.4746 10.4746 12.0755 12.0755 12.4499 12.4499 13.9306 13.9306 k = 0.2818-0.0000-0.0000 ( 3089 PWs) bands (ev): -0.5936 -0.5936 1.4360 1.4360 2.5155 2.5155 2.7843 2.7843 5.1667 5.1667 5.3405 5.3405 5.5544 5.5544 5.8105 5.8105 5.9313 5.9313 6.2903 6.2903 6.8482 6.8482 7.0337 7.0337 7.4217 7.4217 7.8308 7.8308 8.4048 8.4048 8.6895 8.6895 9.6853 9.6853 10.1787 10.1787 10.3913 10.3913 11.9459 11.9459 12.4505 12.4505 13.7843 13.7843 k = 0.2909-0.0000-0.0000 ( 3087 PWs) bands (ev): -0.5041 -0.5041 1.5078 1.5078 2.5385 2.5385 2.8061 2.8061 5.1884 5.1884 5.3396 5.3396 5.6122 5.6122 5.8086 5.8086 5.9483 5.9483 6.2684 6.2684 6.8933 6.8933 7.0405 7.0405 7.4081 7.4081 7.8232 7.8232 8.4083 8.4083 8.7035 8.7035 9.7303 9.7303 10.1997 10.1997 10.3185 10.3185 11.8245 11.8245 12.4529 12.4529 13.6460 13.6460 k = 0.3000-0.0000-0.0000 ( 3087 PWs) bands (ev): -0.4123 -0.4123 1.5803 1.5803 2.5611 2.5611 2.8266 2.8266 5.2018 5.2018 5.3424 5.3424 5.6183 5.6183 5.8496 5.8496 5.9671 5.9671 6.2487 6.2487 6.9361 6.9361 7.0501 7.0501 7.3983 7.3983 7.8178 7.8178 8.4146 8.4146 8.7181 8.7181 9.7678 9.7678 10.2119 10.2119 10.2577 10.2577 11.7125 11.7125 12.4563 12.4563 13.5168 13.5168 k = 0.3091-0.0000-0.0000 ( 3083 PWs) bands (ev): -0.3182 -0.3182 1.6532 1.6532 2.5831 2.5831 2.8459 2.8459 5.2075 5.2075 5.3501 5.3501 5.5803 5.5803 5.9218 5.9218 5.9856 5.9856 6.2352 6.2352 6.9742 6.9742 7.0632 7.0632 7.3928 7.3928 7.8146 7.8146 8.4239 8.4239 8.7339 8.7339 9.7966 9.7966 10.1937 10.1937 10.2299 10.2299 11.6105 11.6105 12.4606 12.4606 13.3983 13.3983 k = 0.3182-0.0000-0.0000 ( 3087 PWs) bands (ev): -0.2218 -0.2218 1.7263 1.7263 2.6046 2.6046 2.8637 2.8637 5.2080 5.2080 5.3609 5.3609 5.5217 5.5217 5.9932 5.9932 6.0031 6.0031 6.2366 6.2366 7.0060 7.0060 7.0804 7.0804 7.3918 7.3918 7.8139 7.8139 8.4367 8.4367 8.7515 8.7515 9.8152 9.8152 10.1519 10.1519 10.2276 10.2276 11.5188 11.5188 12.4654 12.4654 13.2918 13.2918 k = 0.3273-0.0000-0.0000 ( 3075 PWs) bands (ev): -0.1233 -0.1233 1.7992 1.7992 2.6256 2.6256 2.8799 2.8799 5.2060 5.2060 5.3719 5.3719 5.4519 5.4519 6.0130 6.0130 6.0465 6.0465 6.2672 6.2672 7.0315 7.0315 7.1009 7.1009 7.3951 7.3951 7.8158 7.8158 8.4533 8.4533 8.7716 8.7716 9.8226 9.8226 10.1155 10.1155 10.2209 10.2209 11.4377 11.4377 12.4708 12.4708 13.1986 13.1986 k = 0.3364-0.0000-0.0000 ( 3089 PWs) bands (ev): -0.0226 -0.0226 1.8713 1.8713 2.6458 2.6458 2.8945 2.8945 5.2033 5.2033 5.3704 5.3704 5.3855 5.3855 6.0130 6.0130 6.0771 6.0771 6.3301 6.3301 7.0525 7.0525 7.1227 7.1227 7.4022 7.4022 7.8205 7.8205 8.4741 8.4741 8.7945 8.7945 9.8182 9.8182 10.0859 10.0859 10.2077 10.2077 11.3672 11.3672 12.4767 12.4767 13.1197 13.1197 k = 0.3455-0.0000-0.0000 ( 3089 PWs) bands (ev): 0.0800 0.0800 1.9421 1.9421 2.6654 2.6654 2.9075 2.9075 5.2001 5.2001 5.2922 5.2922 5.3882 5.3882 5.9995 5.9995 6.1015 6.1015 6.4100 6.4100 7.0714 7.0714 7.1446 7.1446 7.4119 7.4119 7.8282 7.8282 8.4995 8.4995 8.8207 8.8207 9.8020 9.8020 10.0627 10.0627 10.1875 10.1875 11.3071 11.3071 12.4832 12.4832 13.0560 13.0560 k = 0.3545-0.0000-0.0000 ( 3087 PWs) bands (ev): 0.1845 0.1845 2.0109 2.0109 2.6844 2.6844 2.9187 2.9187 5.1840 5.1840 5.2218 5.2218 5.3898 5.3898 5.9762 5.9762 6.1272 6.1272 6.4937 6.4937 7.0893 7.0893 7.1666 7.1666 7.4231 7.4231 7.8390 7.8390 8.5296 8.5296 8.8503 8.8503 9.7743 9.7743 10.0454 10.0454 10.1598 10.1598 11.2570 11.2570 12.4902 12.4902 13.0080 13.0080 k = 0.3636-0.0000-0.0000 ( 3095 PWs) bands (ev): 0.2909 0.2909 2.0770 2.0770 2.7025 2.7025 2.9281 2.9281 5.1092 5.1092 5.2099 5.2099 5.3867 5.3867 5.9468 5.9468 6.1551 6.1551 6.5745 6.5745 7.1067 7.1067 7.1899 7.1899 7.4347 7.4347 7.8529 7.8529 8.5647 8.5647 8.8831 8.8831 9.7360 9.7360 10.0338 10.0338 10.1243 10.1243 11.2162 11.2162 12.4979 12.4979 12.9756 12.9756 k = 0.3727-0.0000-0.0000 ( 3099 PWs) bands (ev): 0.3989 0.3989 2.1393 2.1393 2.7200 2.7200 2.9358 2.9358 5.0225 5.0225 5.2118 5.2118 5.3785 5.3785 5.9134 5.9134 6.1852 6.1852 6.6479 6.6479 7.1240 7.1240 7.2161 7.2161 7.4461 7.4461 7.8700 7.8700 8.6051 8.6051 8.9184 8.9184 9.6883 9.6883 10.0273 10.0273 10.0817 10.0817 11.1838 11.1838 12.5064 12.5064 12.9584 12.9584 k = 0.3818-0.0000-0.0000 ( 3103 PWs) bands (ev): 0.5084 0.5084 2.1967 2.1967 2.7366 2.7366 2.9417 2.9417 4.9366 4.9366 5.2168 5.2168 5.3648 5.3648 5.8772 5.8772 6.2172 6.2172 6.7110 6.7110 7.1416 7.1416 7.2462 7.2462 7.4573 7.4573 7.8904 7.8904 8.6507 8.6507 8.9555 8.9555 9.6331 9.6331 10.0149 10.0149 10.0429 10.0429 11.1587 11.1587 12.5158 12.5158 12.9554 12.9554 k = 0.3909-0.0000-0.0000 ( 3107 PWs) bands (ev): 0.6193 0.6193 2.2479 2.2479 2.7524 2.7524 2.9460 2.9460 4.8545 4.8545 5.2237 5.2237 5.3455 5.3455 5.8391 5.8391 6.2508 6.2508 6.7613 6.7613 7.1605 7.1605 7.2805 7.2805 7.4688 7.4688 7.9137 7.9137 8.7012 8.7012 8.9932 8.9932 9.5725 9.5725 9.9634 9.9634 10.0417 10.0417 11.1392 11.1392 12.5261 12.5261 12.9653 12.9653 k = 0.4000-0.0000-0.0000 ( 3094 PWs) bands (ev): 0.7314 0.7314 2.2914 2.2914 2.7674 2.7674 2.9487 2.9487 4.7784 4.7784 5.2318 5.2318 5.3211 5.3211 5.7998 5.7998 6.2857 6.2857 6.7977 6.7977 7.1811 7.1811 7.3176 7.3176 7.4822 7.4822 7.9396 7.9396 8.7562 8.7562 9.0299 9.0299 9.5090 9.5090 9.8981 9.8981 10.0538 10.0538 11.1236 11.1236 12.5369 12.5369 12.9865 12.9865 k = 0.4091-0.0000-0.0000 ( 3098 PWs) bands (ev): 0.8445 0.8445 2.3254 2.3254 2.7816 2.7816 2.9499 2.9499 4.7106 4.7106 5.2388 5.2388 5.2934 5.2934 5.7601 5.7601 6.3215 6.3215 6.8206 6.8206 7.2034 7.2034 7.3543 7.3543 7.5002 7.5002 7.9674 7.9674 8.8148 8.8148 9.0635 9.0635 9.4456 9.4456 9.8268 9.8268 10.0729 10.0729 11.1099 11.1099 12.5480 12.5480 13.0161 13.0161 k = 0.4182-0.0000-0.0000 ( 3090 PWs) bands (ev): 0.9583 0.9583 2.3483 2.3483 2.7949 2.7949 2.9495 2.9495 4.6532 4.6532 5.2312 5.2312 5.2757 5.2757 5.7209 5.7209 6.3580 6.3580 6.8317 6.8317 7.2267 7.2267 7.3854 7.3854 7.5273 7.5273 7.9963 7.9963 8.8759 8.8759 9.0911 9.0911 9.3863 9.3863 9.7513 9.7513 10.0989 10.0989 11.0957 11.0957 12.5590 12.5590 13.0489 13.0489 k = 0.4273-0.0000-0.0000 ( 3092 PWs) bands (ev): 1.0726 1.0726 2.3584 2.3584 2.8077 2.8077 2.9479 2.9479 4.6082 4.6082 5.1956 5.1956 5.2815 5.2815 5.6827 5.6827 6.3948 6.3948 6.8331 6.8331 7.2503 7.2503 7.4069 7.4069 7.5662 7.5662 8.0250 8.0250 8.9376 8.9376 9.1078 9.1078 9.3371 9.3371 9.6733 9.6733 10.1321 10.1321 11.0787 11.0787 12.5697 12.5697 13.0693 13.0693 k = 0.4364-0.0000-0.0000 ( 3086 PWs) bands (ev): 1.1869 1.1869 2.3542 2.3542 2.8199 2.8199 2.9449 2.9449 4.5769 4.5769 5.1479 5.1479 5.2953 5.2953 5.6461 5.6461 6.4317 6.4317 6.8269 6.8269 7.2735 7.2735 7.4191 7.4191 7.6155 7.6155 8.0518 8.0518 8.9977 8.9977 9.1080 9.1080 9.3055 9.3055 9.5948 9.5948 10.1728 10.1728 11.0565 11.0565 12.5799 12.5799 13.0424 13.0424 k = 0.4455-0.0000-0.0000 ( 3090 PWs) bands (ev): 1.3009 1.3009 2.3351 2.3351 2.8319 2.8319 2.9409 2.9409 4.5602 4.5602 5.0938 5.0938 5.3117 5.3117 5.6112 5.6112 6.4683 6.4683 6.8149 6.8149 7.2957 7.2957 7.4249 7.4249 7.6711 7.6711 8.0746 8.0746 9.0502 9.0502 9.0952 9.0952 9.2932 9.2932 9.5177 9.5177 10.2216 10.2216 11.0268 11.0268 12.5897 12.5897 12.9716 12.9716 k = 0.4545-0.0000-0.0000 ( 3094 PWs) bands (ev): 1.4141 1.4141 2.3009 2.3009 2.8435 2.8435 2.9357 2.9357 4.5583 4.5583 5.0352 5.0352 5.3299 5.3299 5.5783 5.5783 6.5046 6.5046 6.7984 6.7984 7.3167 7.3167 7.4265 7.4265 7.7301 7.7301 8.0909 8.0909 9.0555 9.0555 9.1163 9.1163 9.2914 9.2914 9.4456 9.4456 10.2785 10.2785 10.9878 10.9878 12.5991 12.5991 12.8944 12.8944 k = 0.4636-0.0000-0.0000 ( 3094 PWs) bands (ev): 1.5259 1.5259 2.2523 2.2523 2.8549 2.8549 2.9296 2.9296 4.5704 4.5704 4.9737 4.9737 5.3493 5.3493 5.5473 5.5473 6.5402 6.5402 6.7782 6.7782 7.3362 7.3362 7.4250 7.4250 7.7903 7.7903 8.0981 8.0981 9.0365 9.0365 9.1561 9.1561 9.2879 9.2879 9.3856 9.3856 10.3432 10.3432 10.9386 10.9386 12.6086 12.6086 12.8258 12.8258 k = 0.4727-0.0000-0.0000 ( 3096 PWs) bands (ev): 1.6357 1.6357 2.1906 2.1906 2.8660 2.8660 2.9225 2.9225 4.5953 4.5953 4.9108 4.9108 5.3700 5.3700 5.5179 5.5179 6.5750 6.5750 6.7551 6.7551 7.3540 7.3540 7.4210 7.4210 7.8500 7.8500 8.0940 8.0940 9.0262 9.0262 9.1778 9.1778 9.2766 9.2766 9.3498 9.3498 10.4150 10.4150 10.8793 10.8793 12.6189 12.6189 12.7691 12.7691 k = 0.4818-0.0000-0.0000 ( 3106 PWs) bands (ev): 1.7424 1.7424 2.1173 2.1173 2.8768 2.8768 2.9147 2.9147 4.6313 4.6313 4.8479 4.8479 5.3918 5.3918 5.4901 5.4901 6.6087 6.6087 6.7295 6.7295 7.3700 7.3700 7.4148 7.4148 7.9076 7.9076 8.0774 8.0774 9.0298 9.0298 9.1607 9.1607 9.2785 9.2785 9.3349 9.3349 10.4924 10.4924 10.8108 10.8108 12.6307 12.6307 12.7244 12.7244 k = 0.4909-0.0000-0.0000 ( 3102 PWs) bands (ev): 1.8453 1.8453 2.0342 2.0342 2.8871 2.8871 2.9062 2.9062 4.6765 4.6765 4.7867 4.7867 5.4146 5.4146 5.4637 5.4637 6.6412 6.6412 6.7018 6.7018 7.3841 7.3841 7.4066 7.4066 7.9614 7.9614 8.0486 8.0486 9.0482 9.0482 9.1201 9.1201 9.2950 9.2950 9.3245 9.3245 10.5733 10.5733 10.7353 10.7353 12.6454 12.6454 12.6903 12.6903 k = 0.5000-0.0000-0.0000 ( 3100 PWs) bands (ev): 1.9430 1.9430 1.9430 1.9430 2.8967 2.8967 2.8972 2.8972 4.7287 4.7287 4.7292 4.7292 5.4383 5.4383 5.4389 5.4389 6.6721 6.6721 6.6726 6.6726 7.3961 7.3961 7.3965 7.3965 8.0091 8.0091 8.0092 8.0092 9.0796 9.0796 9.0796 9.0796 9.3115 9.3115 9.3116 9.3116 10.6550 10.6550 10.6554 10.6554 12.6645 12.6645 12.6648 12.6648 k = 0.5000-0.0000-0.0000 ( 3100 PWs) bands (ev): 1.9430 1.9430 1.9430 1.9430 2.8967 2.8967 2.8972 2.8972 4.7287 4.7287 4.7292 4.7292 5.4383 5.4383 5.4389 5.4389 6.6721 6.6721 6.6726 6.6726 7.3961 7.3961 7.3965 7.3965 8.0091 8.0091 8.0092 8.0092 9.0796 9.0796 9.0796 9.0796 9.3115 9.3115 9.3116 9.3116 10.6550 10.6550 10.6554 10.6554 12.6645 12.6645 12.6648 12.6648 k = 0.5000 0.0090-0.0000 ( 3104 PWs) bands (ev): 1.9404 1.9404 1.9407 1.9407 2.9006 2.9006 2.9013 2.9013 4.7257 4.7257 4.7347 4.7347 5.4381 5.4381 5.4390 5.4390 6.6672 6.6672 6.6795 6.6795 7.3811 7.3811 7.3989 7.3989 7.9815 7.9815 8.0379 8.0379 8.9995 8.9995 9.1050 9.1050 9.3003 9.3003 9.3801 9.3801 10.6347 10.6347 10.6731 10.6731 12.6524 12.6524 12.6799 12.6799 k = 0.5000 0.0180-0.0000 ( 3092 PWs) bands (ev): 1.9331 1.9331 1.9338 1.9338 2.9123 2.9123 2.9132 2.9132 4.7249 4.7249 4.7431 4.7431 5.4380 5.4380 5.4391 5.4391 6.6641 6.6641 6.6883 6.6883 7.3549 7.3549 7.3875 7.3875 7.9572 7.9572 8.0653 8.0653 8.9085 8.9085 9.0529 9.0529 9.3684 9.3684 9.4626 9.4626 10.6122 10.6122 10.6882 10.6882 12.6435 12.6435 12.6981 12.6981 k = 0.5000 0.0270-0.0000 ( 3092 PWs) bands (ev): 1.9215 1.9215 1.9225 1.9225 2.9314 2.9314 2.9327 2.9327 4.7264 4.7264 4.7541 4.7541 5.4381 5.4381 5.4390 5.4390 6.6632 6.6632 6.6986 6.6986 7.3189 7.3189 7.3611 7.3611 7.9384 7.9384 8.0897 8.0897 8.8176 8.8176 8.9754 8.9754 9.4630 9.4630 9.5478 9.5478 10.5883 10.5883 10.7003 10.7003 12.6380 12.6380 12.7190 12.7190 k = 0.5000 0.0360-0.0000 ( 3096 PWs) bands (ev): 1.9061 1.9061 1.9074 1.9074 2.9574 2.9574 2.9591 2.9591 4.7301 4.7301 4.7676 4.7676 5.4383 5.4383 5.4391 5.4391 6.6646 6.6646 6.7100 6.7100 7.2740 7.2740 7.3200 7.3200 7.9259 7.9259 8.1094 8.1094 8.7303 8.7303 8.8923 8.8923 9.5631 9.5631 9.6318 9.6318 10.5640 10.5640 10.7094 10.7094 12.6362 12.6362 12.7424 12.7424 k = 0.5000 0.0450-0.0000 ( 3096 PWs) bands (ev): 1.8876 1.8876 1.8893 1.8893 2.9896 2.9896 2.9917 2.9917 4.7359 4.7359 4.7835 4.7835 5.4375 5.4375 5.4407 5.4407 6.6681 6.6681 6.7219 6.7219 7.2210 7.2210 7.2659 7.2659 7.9194 7.9194 8.1233 8.1233 8.6485 8.6485 8.8080 8.8080 9.6631 9.6631 9.7121 9.7121 10.5406 10.5406 10.7155 10.7155 12.6382 12.6382 12.7681 12.7681 k = 0.5000 0.0540-0.0000 ( 3102 PWs) bands (ev): 1.8666 1.8666 1.8686 1.8686 3.0275 3.0275 3.0299 3.0299 4.7433 4.7433 4.8016 4.8016 5.4363 5.4363 5.4436 5.4436 6.6738 6.6738 6.7333 6.7333 7.1608 7.1608 7.2016 7.2016 7.9177 7.9177 8.1301 8.1301 8.5739 8.5739 8.7240 8.7240 9.7601 9.7601 9.7855 9.7855 10.5201 10.5201 10.7193 10.7193 12.6443 12.6443 12.7957 12.7957 k = 0.5000 0.0630-0.0000 ( 3098 PWs) bands (ev): 1.8438 1.8438 1.8462 1.8462 3.0703 3.0703 3.0731 3.0731 4.7522 4.7522 4.8219 4.8219 5.4349 5.4349 5.4482 5.4482 6.6816 6.6816 6.7429 6.7429 7.0940 7.0940 7.1307 7.1307 7.9191 7.9191 8.1278 8.1278 8.5085 8.5085 8.6412 8.6412 9.8487 9.8487 9.8518 9.8518 10.5053 10.5053 10.7213 10.7213 12.6545 12.6545 12.8248 12.8248 k = 0.5000 0.0720-0.0000 ( 3102 PWs) bands (ev): 1.8197 1.8197 1.8225 1.8225 3.1175 3.1175 3.1206 3.1206 4.7622 4.7622 4.8438 4.8438 5.4334 5.4334 5.4547 5.4547 6.6912 6.6912 6.7471 6.7471 7.0216 7.0216 7.0583 7.0583 7.9218 7.9218 8.1144 8.1144 8.4546 8.4546 8.5606 8.5606 9.8973 9.8973 9.9359 9.9359 10.4995 10.4995 10.7227 10.7227 12.6689 12.6689 12.8547 12.8547 k = 0.5000 0.0810-0.0000 ( 3098 PWs) bands (ev): 1.7950 1.7950 1.7981 1.7981 3.1686 3.1686 3.1719 3.1719 4.7730 4.7730 4.8672 4.8672 5.4320 5.4320 5.4634 5.4634 6.7024 6.7024 6.7393 6.7393 6.9446 6.9446 6.9929 6.9929 7.9236 7.9236 8.0879 8.0879 8.4143 8.4143 8.4836 8.4836 9.9277 9.9277 10.0096 10.0096 10.5059 10.5059 10.7252 10.7252 12.6873 12.6873 12.8844 12.8844 k = 0.5000 0.0900-0.0000 ( 3094 PWs) bands (ev): 1.7699 1.7699 1.7734 1.7734 3.2230 3.2230 3.2267 3.2267 4.7841 4.7841 4.8913 4.8913 5.4310 5.4310 5.4749 5.4749 6.7081 6.7081 6.7143 6.7143 6.8647 6.8647 6.9471 6.9471 7.9218 7.9218 8.0485 8.0485 8.3876 8.3876 8.4123 8.4123 9.9381 9.9381 10.0704 10.0704 10.5256 10.5256 10.7307 10.7307 12.7095 12.7095 12.9128 12.9128 k = 0.5000 0.0990-0.0000 ( 3094 PWs) bands (ev): 1.7449 1.7449 1.7488 1.7488 3.2803 3.2803 3.2845 3.2845 4.7953 4.7953 4.9157 4.9157 5.4308 5.4308 5.4893 5.4893 6.6479 6.6479 6.7221 6.7221 6.7875 6.7875 6.9275 6.9275 7.9126 7.9126 7.9985 7.9985 8.3503 8.3503 8.3721 8.3721 9.9299 9.9299 10.1157 10.1157 10.5569 10.5569 10.7411 10.7411 12.7347 12.7347 12.9388 12.9388 k = 0.5000 0.1081-0.0000 ( 3078 PWs) bands (ev): 1.7202 1.7202 1.7245 1.7245 3.3404 3.3404 3.3450 3.3450 4.8061 4.8061 4.9394 4.9394 5.4320 5.4320 5.5069 5.5069 6.5673 6.5673 6.6809 6.6809 6.7587 6.7587 6.9265 6.9265 7.8917 7.8917 7.9410 7.9410 8.3017 8.3017 8.3649 8.3649 9.9064 9.9064 10.1439 10.1439 10.5960 10.5960 10.7579 10.7579 12.7621 12.7621 12.9615 12.9615 k = 0.5000 0.1171-0.0000 ( 3082 PWs) bands (ev): 1.6962 1.6962 1.7009 1.7009 3.4028 3.4028 3.4080 3.4080 4.8162 4.8162 4.9615 4.9615 5.4349 5.4349 5.5278 5.5278 6.4763 6.4763 6.5994 6.5994 6.7706 6.7706 6.9347 6.9347 7.8556 7.8556 7.8787 7.8787 8.2699 8.2699 8.3633 8.3633 9.8718 9.8718 10.1551 10.1551 10.6390 10.6390 10.7809 10.7809 12.7906 12.7906 12.9803 12.9803 k = 0.5000 0.1261-0.0000 ( 3082 PWs) bands (ev): 1.6731 1.6731 1.6781 1.6781 3.4672 3.4672 3.4731 3.4731 4.8253 4.8253 4.9807 4.9807 5.4403 5.4403 5.5520 5.5520 6.3809 6.3809 6.5145 6.5145 6.7871 6.7871 6.9470 6.9470 7.8039 7.8039 7.8134 7.8134 8.2552 8.2552 8.3659 8.3659 9.8294 9.8294 10.1509 10.1509 10.6826 10.6826 10.8089 10.8089 12.8189 12.8189 12.9956 12.9956 k = 0.5000 0.1351-0.0000 ( 3082 PWs) bands (ev): 1.6510 1.6510 1.6563 1.6563 3.5334 3.5334 3.5403 3.5403 4.8332 4.8332 4.9957 4.9957 5.4488 5.4488 5.5790 5.5790 6.2842 6.2842 6.4306 6.4306 6.8049 6.8049 6.9611 6.9611 7.7400 7.7400 7.7462 7.7462 8.2544 8.2544 8.3716 8.3716 9.7817 9.7817 10.1340 10.1340 10.7247 10.7247 10.8397 10.8397 12.8459 12.8459 13.0077 13.0077 k = 0.5000 0.1441-0.0000 ( 3082 PWs) bands (ev): 1.6301 1.6301 1.6357 1.6357 3.6011 3.6011 3.6092 3.6092 4.8398 4.8398 5.0052 5.0052 5.4606 5.4606 5.6081 5.6081 6.1887 6.1887 6.3494 6.3494 6.8230 6.8230 6.9758 6.9758 7.6677 7.6677 7.6781 7.6781 8.2637 8.2637 8.3798 8.3798 9.7305 9.7305 10.1075 10.1075 10.7641 10.7641 10.8711 10.8711 12.8707 12.8707 13.0176 13.0176 k = 0.5000 0.1531-0.0000 ( 3092 PWs) bands (ev): 1.6105 1.6105 1.6164 1.6164 3.6701 3.6701 3.6797 3.6797 4.8449 4.8449 5.0082 5.0082 5.4757 5.4757 5.6376 5.6376 6.0971 6.0971 6.2727 6.2727 6.8412 6.8412 6.9904 6.9904 7.5905 7.5905 7.6097 7.6097 8.2798 8.2798 8.3902 8.3902 9.6774 9.6774 10.0740 10.0740 10.7999 10.7999 10.9016 10.9016 12.8927 12.8927 13.0256 13.0256 k = 0.5000 0.1621-0.0000 ( 3092 PWs) bands (ev): 1.5923 1.5923 1.5985 1.5985 3.7398 3.7398 3.7516 3.7516 4.8484 4.8484 5.0038 5.0038 5.4935 5.4935 5.6633 5.6633 6.0141 6.0141 6.2019 6.2019 6.8591 6.8591 7.0044 7.0044 7.5108 7.5108 7.5418 7.5418 8.3002 8.3002 8.4025 8.4025 9.6234 9.6234 10.0358 10.0358 10.8319 10.8319 10.9300 10.9300 12.9119 12.9119 13.0324 13.0324 k = 0.5000 0.1711-0.0000 ( 3090 PWs) bands (ev): 1.5756 1.5756 1.5821 1.5821 3.8101 3.8101 3.8247 3.8247 4.8504 4.8504 4.9915 4.9915 5.5129 5.5129 5.6762 5.6762 5.9493 5.9493 6.1388 6.1388 6.8764 6.8764 7.0174 7.0174 7.4304 7.4304 7.4750 7.4750 8.3236 8.3236 8.4163 8.4163 9.5698 9.5698 9.9949 9.9949 10.8601 10.8601 10.9558 10.9558 12.9282 12.9282 13.0382 13.0382 k = 0.5000 0.1801-0.0000 ( 3090 PWs) bands (ev): 1.5605 1.5605 1.5672 1.5672 3.8803 3.8803 3.8987 3.8987 4.8507 4.8507 4.9711 4.9711 5.5320 5.5320 5.6609 5.6609 5.9183 5.9183 6.0852 6.0852 6.8928 6.8928 7.0292 7.0292 7.3507 7.3507 7.4101 7.4101 8.3484 8.3484 8.4314 8.4314 9.5174 9.5174 9.9529 9.9529 10.8845 10.8845 10.9785 10.9785 12.9419 12.9419 13.0433 13.0433 k = 0.5000 0.1891-0.0000 ( 3098 PWs) bands (ev): 1.5470 1.5470 1.5540 1.5540 3.9498 3.9498 3.9734 3.9734 4.8493 4.8493 4.9428 4.9428 5.5489 5.5489 5.6141 5.6141 5.9248 5.9248 6.0428 6.0428 6.9081 6.9081 7.0395 7.0395 7.2732 7.2732 7.3480 7.3480 8.3738 8.3738 8.4475 8.4475 9.4672 9.4672 9.9113 9.9113 10.9053 10.9053 10.9982 10.9982 12.9532 12.9532 13.0478 13.0478 k = 0.5000 0.1981-0.0000 ( 3108 PWs) bands (ev): 1.5353 1.5353 1.5424 1.5424 4.0176 4.0176 4.0483 4.0483 4.8460 4.8460 4.9068 4.9068 5.5514 5.5514 5.5618 5.5618 5.9534 5.9534 6.0125 6.0125 6.9220 6.9220 7.0476 7.0476 7.1996 7.1996 7.2897 7.2897 8.3986 8.3986 8.4639 8.4639 9.4202 9.4202 9.8715 9.8715 10.9227 10.9227 11.0148 11.0148 12.9625 12.9625 13.0516 13.0516 k = 0.5000 0.2071-0.0000 ( 3108 PWs) bands (ev): 1.5252 1.5252 1.5325 1.5325 4.0825 4.0825 4.1229 4.1229 4.8409 4.8409 4.8640 4.8640 5.4863 5.4863 5.5700 5.5700 5.9910 5.9910 5.9942 5.9942 6.9345 6.9345 7.0514 7.0514 7.1337 7.1337 7.2365 7.2365 8.4220 8.4220 8.4800 8.4800 9.3774 9.3774 9.8349 9.8349 10.9371 10.9371 11.0286 11.0286 12.9701 12.9701 13.0549 13.0549 k = 0.5000 0.2161-0.0000 ( 3100 PWs) bands (ev): 1.5170 1.5170 1.5244 1.5244 4.1427 4.1427 4.1963 4.1963 4.8155 4.8155 4.8338 4.8338 5.4258 5.4258 5.5735 5.5735 5.9861 5.9861 6.0305 6.0305 6.9453 6.9453 7.0379 7.0379 7.0902 7.0902 7.1895 7.1895 8.4430 8.4430 8.4952 8.4952 9.3400 9.3400 9.8028 9.8028 10.9485 10.9485 11.0396 11.0396 12.9760 12.9760 13.0576 13.0576 k = 0.5000 0.2251-0.0000 ( 3100 PWs) bands (ev): 1.5106 1.5106 1.5181 1.5181 4.1956 4.1956 4.2670 4.2670 4.7635 4.7635 4.8253 4.8253 5.3743 5.3743 5.5739 5.5739 5.9850 5.9850 6.0675 6.0675 6.9544 6.9544 6.9969 6.9969 7.0818 7.0818 7.1503 7.1503 8.4606 8.4606 8.5085 8.5085 9.3092 9.3092 9.7763 9.7763 10.9571 10.9571 11.0480 11.0480 12.9805 12.9805 13.0598 13.0598 k = 0.5000 0.2341-0.0000 ( 3112 PWs) bands (ev): 1.5059 1.5059 1.5135 1.5135 4.2379 4.2379 4.3318 4.3318 4.7115 4.7115 4.8167 4.8167 5.3351 5.3351 5.5726 5.5726 5.9875 5.9875 6.0979 6.0979 6.9572 6.9572 6.9615 6.9615 7.0824 7.0824 7.1204 7.1204 8.4739 8.4739 8.5189 8.5189 9.2860 9.2860 9.7565 9.7565 10.9632 10.9632 11.0539 11.0539 12.9836 12.9836 13.0613 13.0613 k = 0.5000 0.2431-0.0000 ( 3108 PWs) bands (ev): 1.5032 1.5032 1.5108 1.5108 4.2656 4.2656 4.3831 4.3831 4.6676 4.6676 4.8099 4.8099 5.3106 5.3106 5.5713 5.5713 5.9903 5.9903 6.1182 6.1182 6.9308 6.9308 6.9662 6.9662 7.0837 7.0837 7.1014 7.1014 8.4822 8.4822 8.5255 8.5255 9.2717 9.2717 9.7442 9.7442 10.9668 10.9668 11.0575 11.0575 12.9854 12.9854 13.0622 13.0622 k = 0.5000 0.2521-0.0000 ( 3104 PWs) bands (ev): 1.5022 1.5022 1.5099 1.5099 4.2754 4.2754 4.4046 4.4046 4.6486 4.6486 4.8073 4.8073 5.3023 5.3023 5.5707 5.5707 5.9915 5.9915 6.1253 6.1253 6.9215 6.9215 6.9679 6.9679 7.0842 7.0842 7.0949 7.0949 8.4850 8.4850 8.5278 8.5278 9.2668 9.2668 9.7401 9.7401 10.9680 10.9680 11.0586 11.0586 12.9860 12.9860 13.0625 13.0625 k = 0.5000 0.2521-0.0000 ( 3104 PWs) bands (ev): 1.5022 1.5022 1.5099 1.5099 4.2754 4.2754 4.4046 4.4046 4.6486 4.6486 4.8073 4.8073 5.3023 5.3023 5.5707 5.5707 5.9915 5.9915 6.1253 6.1253 6.9215 6.9215 6.9679 6.9679 7.0842 7.0842 7.0949 7.0949 8.4850 8.4850 8.5278 8.5278 9.2668 9.2668 9.7401 9.7401 10.9680 10.9680 11.0586 11.0586 12.9860 12.9860 13.0625 13.0625 k = 0.4909 0.2521-0.0000 ( 3104 PWs) bands (ev): 1.4992 1.4992 1.5069 1.5069 4.2544 4.2544 4.3846 4.3846 4.6688 4.6688 4.8247 4.8247 5.3054 5.3054 5.5702 5.5702 5.9918 5.9918 6.1240 6.1240 6.9227 6.9227 6.9638 6.9638 7.0914 7.0914 7.0973 7.0973 8.4864 8.4864 8.5288 8.5288 9.2607 9.2607 9.7332 9.7332 10.9728 10.9728 11.0636 11.0636 12.9893 12.9893 13.0662 13.0662 k = 0.4818 0.2521-0.0000 ( 3100 PWs) bands (ev): 1.4902 1.4902 1.4979 1.4979 4.2015 4.2015 4.3331 4.3331 4.7189 4.7189 4.8675 4.8675 5.3156 5.3156 5.5688 5.5688 5.9929 5.9929 6.1203 6.1203 6.9259 6.9259 6.9536 6.9536 7.1048 7.1048 7.1108 7.1108 8.4908 8.4908 8.5317 8.5317 9.2426 9.2426 9.7132 9.7132 10.9869 10.9869 11.0783 11.0783 12.9990 12.9990 13.0772 13.0772 k = 0.4727 0.2521-0.0000 ( 3108 PWs) bands (ev): 1.4751 1.4751 1.4830 1.4830 4.1319 4.1319 4.2641 4.2641 4.7831 4.7831 4.9195 4.9195 5.3348 5.3348 5.5672 5.5672 5.9951 5.9951 6.1148 6.1148 6.9301 6.9301 6.9406 6.9406 7.1178 7.1178 7.1385 7.1385 8.4980 8.4980 8.5367 8.5367 9.2137 9.2137 9.6809 9.6809 11.0096 11.0096 11.1021 11.1021 13.0151 13.0151 13.0952 13.0952 k = 0.4636 0.2521-0.0000 ( 3112 PWs) bands (ev): 1.4543 1.4543 1.4624 1.4624 4.0545 4.0545 4.1864 4.1864 4.8514 4.8514 4.9689 4.9689 5.3658 5.3658 5.5663 5.5663 5.9987 5.9987 6.1083 6.1083 6.9264 6.9264 6.9342 6.9342 7.1365 7.1365 7.1715 7.1715 8.5080 8.5080 8.5437 8.5437 9.1754 9.1754 9.6381 9.6381 11.0398 11.0398 11.1339 11.1339 13.0372 13.0372 13.1196 13.1196 k = 0.4545 0.2521-0.0000 ( 3108 PWs) bands (ev): 1.4280 1.4280 1.4362 1.4362 3.9736 3.9736 4.1045 4.1045 4.9180 4.9180 5.0087 5.0087 5.4104 5.4104 5.5676 5.5676 6.0045 6.0045 6.1020 6.1020 6.9118 6.9118 6.9374 6.9374 7.1608 7.1608 7.2082 7.2082 8.5205 8.5205 8.5529 8.5529 9.1296 9.1296 9.5865 9.5865 11.0766 11.0766 11.1728 11.1728 13.0649 13.0649 13.1496 13.1496 k = 0.4455 0.2521-0.0000 ( 3102 PWs) bands (ev): 1.3962 1.3962 1.4047 1.4047 3.8910 3.8910 4.0206 4.0206 4.9792 4.9792 5.0368 5.0368 5.4675 5.4675 5.5723 5.5723 6.0130 6.0130 6.0972 6.0972 6.8969 6.8969 6.9395 6.9395 7.1901 7.1901 7.2471 7.2471 8.5350 8.5350 8.5643 8.5643 9.0789 9.0789 9.5282 9.5282 11.1192 11.1192 11.2178 11.2178 13.0976 13.0976 13.1843 13.1843 k = 0.4364 0.2521-0.0000 ( 3106 PWs) bands (ev): 1.3595 1.3595 1.3681 1.3681 3.8080 3.8080 3.9359 3.9359 5.0321 5.0321 5.0549 5.0549 5.5331 5.5331 5.5816 5.5816 6.0250 6.0250 6.0957 6.0957 6.8816 6.8816 6.9405 6.9405 7.2232 7.2232 7.2869 7.2869 8.5501 8.5501 8.5778 8.5778 9.0265 9.0265 9.4650 9.4650 11.1669 11.1669 11.2678 11.2678 13.1345 13.1345 13.2222 13.2222 k = 0.4273 0.2521-0.0000 ( 3106 PWs) bands (ev): 1.3181 1.3181 1.3269 1.3269 3.7249 3.7249 3.8508 3.8508 5.0658 5.0658 5.0751 5.0751 5.5958 5.5958 5.6013 5.6013 6.0412 6.0412 6.0997 6.0997 6.8658 6.8658 6.9409 6.9409 7.2587 7.2587 7.3266 7.3266 8.5634 8.5634 8.5933 8.5933 8.9765 8.9765 9.3991 9.3991 11.2194 11.2194 11.3223 11.3223 13.1744 13.1744 13.2616 13.2616 k = 0.4182 0.2521-0.0000 ( 3098 PWs) bands (ev): 1.2724 1.2724 1.2813 1.2813 3.6420 3.6420 3.7659 3.7659 5.0723 5.0723 5.1078 5.1078 5.6140 5.6140 5.6660 5.6660 6.0622 6.0622 6.1124 6.1124 6.8497 6.8497 6.9413 6.9413 7.2954 7.2954 7.3652 7.3652 8.5702 8.5702 8.6102 8.6102 8.9355 8.9355 9.3327 9.3327 11.2765 11.2765 11.3809 11.3809 13.2157 13.2157 13.3002 13.3002 k = 0.4091 0.2521-0.0000 ( 3094 PWs) bands (ev): 1.2227 1.2227 1.2318 1.2318 3.5597 3.5597 3.6812 3.6812 5.0763 5.0763 5.1313 5.1313 5.6339 5.6339 5.7211 5.7211 6.0881 6.0881 6.1369 6.1369 6.8333 6.8333 6.9424 6.9424 7.3320 7.3320 7.4020 7.4020 8.5639 8.5639 8.6276 8.6276 8.9113 8.9113 9.2684 9.2684 11.3383 11.3383 11.4432 11.4432 13.2564 13.2564 13.3352 13.3352 k = 0.4000 0.2521-0.0000 ( 3096 PWs) bands (ev): 1.1695 1.1695 1.1787 1.1787 3.4778 3.4778 3.5969 3.5969 5.0794 5.0794 5.1475 5.1475 5.6532 5.6532 5.7622 5.7622 6.1185 6.1185 6.1754 6.1754 6.8166 6.8166 6.9448 6.9448 7.3677 7.3677 7.4363 7.4363 8.5398 8.5398 8.6434 8.6434 8.9102 8.9102 9.2096 9.2096 11.4049 11.4049 11.5093 11.5093 13.2940 13.2940 13.3634 13.3634 k = 0.3909 0.2521-0.0000 ( 3098 PWs) bands (ev): 1.1132 1.1132 1.1224 1.1224 3.3965 3.3965 3.5131 3.5131 5.0823 5.0823 5.1587 5.1587 5.6696 5.6696 5.7885 5.7885 6.1523 6.1523 6.2270 6.2270 6.7999 6.7999 6.9491 6.9491 7.4017 7.4017 7.4678 7.4678 8.4997 8.4997 8.6544 8.6544 8.9317 8.9317 9.1610 9.1610 11.4766 11.4766 11.5791 11.5791 13.3253 13.3253 13.3812 13.3812 k = 0.3818 0.2521-0.0000 ( 3098 PWs) bands (ev): 1.0541 1.0541 1.0634 1.0634 3.3159 3.3159 3.4297 3.4297 5.0859 5.0859 5.1668 5.1668 5.6820 5.6820 5.8020 5.8020 6.1875 6.1875 6.2874 6.2874 6.7835 6.7835 6.9558 6.9558 7.4333 7.4333 7.4962 7.4962 8.4496 8.4496 8.6560 8.6560 8.9706 8.9706 9.1283 9.1283 11.5535 11.5535 11.6530 11.6530 13.3470 13.3470 13.3855 13.3855 k = 0.3727 0.2521-0.0000 ( 3102 PWs) bands (ev): 0.9927 0.9927 1.0020 1.0020 3.2358 3.2358 3.3469 3.3469 5.0904 5.0904 5.1734 5.1734 5.6899 5.6899 5.8061 5.8061 6.2220 6.2220 6.3515 6.3515 6.7679 6.7679 6.9652 6.9652 7.4623 7.4623 7.5213 7.5213 8.3957 8.3957 8.6441 8.6441 9.0222 9.0222 9.1168 9.1168 11.6361 11.6361 11.7309 11.7309 13.3562 13.3562 13.3749 13.3749 k = 0.3636 0.2521-0.0000 ( 3106 PWs) bands (ev): 0.9294 0.9294 0.9387 0.9387 3.1564 3.1564 3.2647 3.2647 5.0961 5.0961 5.1794 5.1794 5.6934 5.6934 5.8036 5.8036 6.2538 6.2538 6.4140 6.4140 6.7540 6.7540 6.9773 6.9773 7.4884 7.4884 7.5430 7.5430 8.3421 8.3421 8.6178 8.6178 9.0833 9.0833 9.1285 9.1285 11.7243 11.7243 11.8132 11.8132 13.3501 13.3501 13.3513 13.3513 k = 0.3545 0.2521-0.0000 ( 3106 PWs) bands (ev): 0.8645 0.8645 0.8737 0.8737 3.0777 3.0777 3.1831 3.1831 5.1032 5.1032 5.1855 5.1855 5.6930 5.6930 5.7963 5.7963 6.2812 6.2812 6.4705 6.4705 6.7433 6.7433 6.9918 6.9918 7.5117 7.5117 7.5614 7.5614 8.2918 8.2918 8.5802 8.5802 9.1517 9.1517 9.1610 9.1610 11.8183 11.8183 11.8999 11.8999 13.3139 13.3139 13.3330 13.3330 k = 0.3455 0.2521-0.0000 ( 3106 PWs) bands (ev): 0.7984 0.7984 0.8074 0.8074 2.9998 2.9998 3.1023 3.1023 5.1115 5.1115 5.1922 5.1922 5.6890 5.6890 5.7853 5.7853 6.3032 6.3032 6.5160 6.5160 6.7382 6.7382 7.0078 7.0078 7.5321 7.5321 7.5764 7.5764 8.2471 8.2471 8.5361 8.5361 9.2103 9.2103 9.2262 9.2262 11.9181 11.9181 11.9909 11.9909 13.2697 13.2697 13.3038 13.3038 k = 0.3364 0.2521-0.0000 ( 3098 PWs) bands (ev): 0.7314 0.7314 0.7402 0.7402 2.9227 2.9227 3.0222 3.0222 5.1208 5.1208 5.1993 5.1993 5.6821 5.6821 5.7715 5.7715 6.3194 6.3194 6.5458 6.5458 6.7417 6.7417 7.0245 7.0245 7.5500 7.5500 7.5880 7.5880 8.2096 8.2096 8.4899 8.4899 9.2723 9.2723 9.3059 9.3059 12.0233 12.0233 12.0861 12.0861 13.2210 13.2210 13.2673 13.2673 k = 0.3273 0.2521-0.0000 ( 3094 PWs) bands (ev): 0.6637 0.6637 0.6724 0.6724 2.8464 2.8464 2.9430 2.9430 5.1310 5.1310 5.2067 5.2067 5.6730 5.6730 5.7555 5.7555 6.3297 6.3297 6.5580 6.5580 6.7548 6.7548 7.0405 7.0405 7.5655 7.5655 7.5963 7.5963 8.1804 8.1804 8.4444 8.4444 9.3444 9.3444 9.3900 9.3900 12.1334 12.1334 12.1847 12.1847 13.1713 13.1713 13.2275 13.2275 k = 0.3182 0.2521-0.0000 ( 3086 PWs) bands (ev): 0.5958 0.5958 0.6043 0.6043 2.7711 2.7711 2.8647 2.8647 5.1416 5.1416 5.2140 5.2140 5.6624 5.6624 5.7378 5.7378 6.3345 6.3345 6.5556 6.5556 6.7736 6.7736 7.0550 7.0550 7.5791 7.5791 7.6017 7.6017 8.1599 8.1599 8.4017 8.4017 9.4242 9.4242 9.4777 9.4777 12.2476 12.2476 12.2858 12.2858 13.1237 13.1237 13.1886 13.1886 k = 0.3091 0.2521-0.0000 ( 3096 PWs) bands (ev): 0.5278 0.5278 0.5360 0.5360 2.6968 2.6968 2.7875 2.7875 5.1519 5.1519 5.2205 5.2205 5.6513 5.6513 5.7189 5.7189 6.3341 6.3341 6.5437 6.5437 6.7932 6.7932 7.0671 7.0671 7.5910 7.5910 7.6047 7.6047 8.1478 8.1478 8.3629 8.3629 9.5099 9.5099 9.5681 9.5681 12.3641 12.3641 12.3873 12.3873 13.0817 13.0817 13.1549 13.1549 k = 0.3000 0.2521-0.0000 ( 3092 PWs) bands (ev): 0.4599 0.4599 0.4680 0.4680 2.6237 2.6237 2.7114 2.7114 5.1613 5.1613 5.2252 5.2252 5.6408 5.6408 5.6997 5.6997 6.3290 6.3290 6.5260 6.5260 6.8104 6.8104 7.0763 7.0763 7.6017 7.6017 7.6061 7.6061 8.1431 8.1431 8.3286 8.3286 9.5998 9.5998 9.6603 9.6603 12.4795 12.4795 12.4860 12.4860 13.0502 13.0502 13.1318 13.1318 k = 0.2909 0.2521-0.0000 ( 3092 PWs) bands (ev): 0.3925 0.3925 0.4003 0.4003 2.5518 2.5518 2.6366 2.6366 5.1688 5.1688 5.2269 5.2269 5.6322 5.6322 5.6808 5.6808 6.3194 6.3194 6.5045 6.5045 6.8241 6.8241 7.0828 7.0828 7.6068 7.6068 7.6115 7.6115 8.1445 8.1445 8.2990 8.2990 9.6921 9.6921 9.7530 9.7530 12.5768 12.5768 12.5873 12.5873 13.0370 13.0370 13.1262 13.1262 k = 0.2818 0.2521-0.0000 ( 3092 PWs) bands (ev): 0.3257 0.3257 0.3332 0.3332 2.4811 2.4811 2.5631 2.5631 5.1734 5.1734 5.2245 5.2245 5.6267 5.6267 5.6633 5.6633 6.3058 6.3058 6.4804 6.4804 6.8342 6.8342 7.0866 7.0866 7.6076 7.6076 7.6208 7.6208 8.1506 8.1506 8.2739 8.2739 9.7850 9.7850 9.8450 9.8450 12.6525 12.6525 12.6754 12.6754 13.0555 13.0555 13.1464 13.1464 k = 0.2727 0.2521-0.0000 ( 3092 PWs) bands (ev): 0.2597 0.2597 0.2669 0.2669 2.4119 2.4119 2.4910 2.4910 5.1739 5.1739 5.2169 5.2169 5.6256 5.6256 5.6483 5.6483 6.2886 6.2886 6.4545 6.4545 6.8414 6.8414 7.0884 7.0884 7.6091 7.6091 7.6296 7.6296 8.1598 8.1598 8.2529 8.2529 9.8764 9.8764 9.9344 9.9344 12.7086 12.7086 12.7323 12.7323 13.1182 13.1182 13.1984 13.1984 k = 0.2636 0.2521-0.0000 ( 3100 PWs) bands (ev): 0.1947 0.1947 0.2016 0.2016 2.3441 2.3441 2.4204 2.4204 5.1691 5.1691 5.2034 5.2034 5.6293 5.6293 5.6365 5.6365 6.2681 6.2681 6.4278 6.4278 6.8464 6.8464 7.0889 7.0889 7.6116 7.6116 7.6383 7.6383 8.1709 8.1709 8.2357 8.2357 9.9641 9.9641 10.0195 10.0195 12.7483 12.7483 12.7638 12.7638 13.2205 13.2205 13.2802 13.2802 k = 0.2545 0.2521-0.0000 ( 3096 PWs) bands (ev): 0.1308 0.1308 0.1374 0.1374 2.2780 2.2780 2.3514 2.3514 5.1583 5.1583 5.1840 5.1840 5.6286 5.6286 5.6381 5.6381 6.2450 6.2450 6.4010 6.4010 6.8499 6.8499 7.0886 7.0886 7.6153 7.6153 7.6470 7.6470 8.1830 8.1830 8.2218 8.2218 10.0459 10.0459 10.0983 10.0983 12.7808 12.7808 12.7869 12.7869 13.3464 13.3464 13.3836 13.3836 k = 0.2455 0.2521-0.0000 ( 3100 PWs) bands (ev): 0.0681 0.0681 0.0745 0.0745 2.2134 2.2134 2.2840 2.2840 5.1413 5.1413 5.1592 5.1592 5.6248 5.6248 5.6511 5.6511 6.2200 6.2200 6.3750 6.3750 6.8526 6.8526 7.0881 7.0881 7.6203 7.6203 7.6555 7.6555 8.1954 8.1954 8.2109 8.2109 10.1195 10.1195 10.1686 10.1686 12.8141 12.8141 12.8156 12.8156 13.4841 13.4841 13.4997 13.4997 k = 0.2364 0.2521-0.0000 ( 3092 PWs) bands (ev): 0.0069 0.0069 0.0130 0.0130 2.1506 2.1506 2.2185 2.2185 5.1181 5.1181 5.1296 5.1296 5.6242 5.6242 5.6676 5.6676 6.1937 6.1937 6.3506 6.3506 6.8548 6.8548 7.0881 7.0881 7.6266 7.6266 7.6640 7.6640 8.2024 8.2024 8.2075 8.2075 10.1830 10.1830 10.2288 10.2288 12.8523 12.8523 12.8593 12.8593 13.6224 13.6224 13.6269 13.6269 k = 0.2273 0.2521-0.0000 ( 3088 PWs) bands (ev): -0.0528 -0.0528 -0.0470 -0.0470 2.0896 2.0896 2.1547 2.1547 5.0896 5.0896 5.0961 5.0961 5.6261 5.6261 5.6860 5.6860 6.1673 6.1673 6.3288 6.3288 6.8571 6.8571 7.0888 7.0888 7.6341 7.6341 7.6723 7.6723 8.1963 8.1963 8.2191 8.2191 10.2347 10.2347 10.2773 10.2773 12.9051 12.9051 12.9159 12.9159 13.7471 13.7471 13.7708 13.7708 k = 0.2182 0.2521-0.0000 ( 3088 PWs) bands (ev): -0.1109 -0.1109 -0.1054 -0.1054 2.0305 2.0305 2.0929 2.0929 5.0566 5.0566 5.0597 5.0597 5.6290 5.6290 5.7050 5.7050 6.1418 6.1418 6.3104 6.3104 6.8597 6.8597 7.0905 7.0905 7.6427 7.6427 7.6802 7.6802 8.1923 8.1923 8.2300 8.2300 10.2735 10.2735 10.3131 10.3131 12.9743 12.9743 12.9879 12.9879 13.8705 13.8705 13.9124 13.9124 k = 0.2091 0.2521-0.0000 ( 3092 PWs) bands (ev): -0.1673 -0.1673 -0.1620 -0.1620 1.9733 1.9733 2.0330 2.0330 5.0201 5.0201 5.0210 5.0210 5.6316 5.6316 5.7228 5.7228 6.1189 6.1189 6.2962 6.2962 6.8627 6.8627 7.0935 7.0935 7.6523 7.6523 7.6877 7.6877 8.1903 8.1903 8.2402 8.2402 10.2992 10.2992 10.3360 10.3360 13.0608 13.0608 13.0761 13.0761 13.9898 13.9898 14.0487 14.0487 k = 0.2000 0.2521-0.0000 ( 3096 PWs) bands (ev): -0.2218 -0.2218 -0.2169 -0.2169 1.9182 1.9182 1.9751 1.9751 4.9807 4.9807 4.9811 4.9811 5.6329 5.6329 5.7374 5.7374 6.1003 6.1003 6.2868 6.2868 6.8665 6.8665 7.0978 7.0978 7.6627 7.6627 7.6945 7.6945 8.1904 8.1904 8.2496 8.2496 10.3119 10.3119 10.3463 10.3463 13.1641 13.1641 13.1804 13.1804 14.1025 14.1025 14.1767 14.1767 k = 0.1909 0.2521-0.0000 ( 3096 PWs) bands (ev): -0.2744 -0.2744 -0.2698 -0.2698 1.8651 1.8651 1.9194 1.9194 4.9394 4.9394 4.9403 4.9403 5.6319 5.6319 5.7468 5.7468 6.0880 6.0880 6.2824 6.2824 6.8711 6.8711 7.1036 7.1036 7.6737 7.6737 7.7005 7.7005 8.1924 8.1924 8.2585 8.2585 10.3124 10.3124 10.3447 10.3447 13.2832 13.2832 13.2999 13.2999 14.2068 14.2068 14.2936 14.2936 k = 0.1818 0.2521-0.0000 ( 3096 PWs) bands (ev): -0.3250 -0.3250 -0.3207 -0.3207 1.8142 1.8142 1.8658 1.8658 4.8976 4.8976 4.8985 4.8985 5.6282 5.6282 5.7493 5.7493 6.0835 6.0835 6.2829 6.2829 6.8769 6.8769 7.1110 7.1110 7.6852 7.6852 7.7054 7.7054 8.1965 8.1965 8.2668 8.2668 10.3021 10.3021 10.3326 10.3326 13.4165 13.4165 13.4332 13.4332 14.3010 14.3010 14.3972 14.3972 k = 0.1727 0.2521-0.0000 ( 3098 PWs) bands (ev): -0.3736 -0.3736 -0.3695 -0.3695 1.7655 1.7655 1.8144 1.8144 4.8557 4.8557 4.8563 4.8563 5.6217 5.6217 5.7443 5.7443 6.0872 6.0872 6.2880 6.2880 6.8840 6.8840 7.1199 7.1199 7.6970 7.6970 7.7091 7.7091 8.2025 8.2025 8.2748 8.2748 10.2823 10.2823 10.3112 10.3112 13.5622 13.5622 13.5783 13.5783 14.3842 14.3842 14.4861 14.4861 k = 0.1636 0.2521-0.0000 ( 3094 PWs) bands (ev): -0.4200 -0.4200 -0.4162 -0.4162 1.7190 1.7190 1.7653 1.7653 4.8141 4.8141 4.8143 4.8143 5.6125 5.6125 5.7326 5.7326 6.0984 6.0984 6.2969 6.2969 6.8927 6.8927 7.1304 7.1304 7.7088 7.7088 7.7116 7.7116 8.2106 8.2106 8.2826 8.2826 10.2545 10.2545 10.2821 10.2821 13.7178 13.7178 13.7329 13.7329 14.4563 14.4563 14.5600 14.5600 k = 0.1545 0.2521-0.0000 ( 3094 PWs) bands (ev): -0.4643 -0.4643 -0.4607 -0.4607 1.6749 1.6749 1.7185 1.7185 4.7726 4.7726 4.7733 4.7733 5.6011 5.6011 5.7156 5.7156 6.1153 6.1153 6.3087 6.3087 6.9032 6.9032 7.1426 7.1426 7.7127 7.7127 7.7205 7.7205 8.2205 8.2205 8.2902 8.2902 10.2201 10.2201 10.2466 10.2466 13.8806 13.8806 13.8940 13.8940 14.5176 14.5176 14.6195 14.6195 k = 0.1455 0.2521-0.0000 ( 3094 PWs) bands (ev): -0.5063 -0.5063 -0.5029 -0.5029 1.6330 1.6330 1.6741 1.6741 4.7319 4.7319 4.7333 4.7333 5.5880 5.5880 5.6951 5.6951 6.1360 6.1360 6.3225 6.3225 6.9158 6.9158 7.1564 7.1564 7.7125 7.7125 7.7319 7.7319 8.2321 8.2321 8.2979 8.2979 10.1806 10.1806 10.2060 10.2060 14.0469 14.0469 14.0572 14.0572 14.5695 14.5695 14.6658 14.6658 k = 0.1364 0.2521-0.0000 ( 3094 PWs) bands (ev): -0.5460 -0.5460 -0.5429 -0.5429 1.5936 1.5936 1.6321 1.6321 4.6925 4.6925 4.6946 4.6946 5.5738 5.5738 5.6726 5.6726 6.1590 6.1590 6.3373 6.3373 6.9306 6.9306 7.1717 7.1717 7.7111 7.7111 7.7427 7.7427 8.2453 8.2453 8.3057 8.3057 10.1371 10.1371 10.1616 10.1616 14.2108 14.2108 14.2155 14.2155 14.6152 14.6152 14.7006 14.7006 k = 0.1273 0.2521-0.0000 ( 3106 PWs) bands (ev): -0.5833 -0.5833 -0.5805 -0.5805 1.5567 1.5567 1.5925 1.5925 4.6547 4.6547 4.6573 4.6573 5.5588 5.5588 5.6493 5.6493 6.1830 6.1830 6.3522 6.3522 6.9478 6.9478 7.1884 7.1884 7.7086 7.7086 7.7527 7.7527 8.2598 8.2598 8.3137 8.3137 10.0907 10.0907 10.1144 10.1144 14.3549 14.3549 14.3618 14.3618 14.6610 14.6610 14.7279 14.7279 k = 0.1182 0.2521-0.0000 ( 3116 PWs) bands (ev): -0.6183 -0.6183 -0.6157 -0.6157 1.5222 1.5222 1.5554 1.5554 4.6186 4.6186 4.6217 4.6217 5.5436 5.5436 5.6258 5.6258 6.2071 6.2071 6.3664 6.3664 6.9674 6.9674 7.2063 7.2063 7.7052 7.7052 7.7617 7.7617 8.2753 8.2753 8.3221 8.3221 10.0425 10.0425 10.0655 10.0655 14.4545 14.4545 14.4809 14.4809 14.7142 14.7142 14.7552 14.7552 k = 0.1091 0.2521-0.0000 ( 3104 PWs) bands (ev): -0.6508 -0.6508 -0.6484 -0.6484 1.4902 1.4902 1.5209 1.5209 4.5845 4.5845 4.5879 4.5879 5.5287 5.5287 5.6028 5.6028 6.2307 6.2307 6.3795 6.3795 6.9894 6.9894 7.2251 7.2251 7.7012 7.7012 7.7695 7.7695 8.2916 8.2916 8.3309 8.3309 9.9934 9.9934 10.0156 10.0156 14.5057 14.5057 14.5492 14.5492 14.7662 14.7662 14.7876 14.7876 k = 0.1000 0.2521-0.0000 ( 3108 PWs) bands (ev): -0.6808 -0.6808 -0.6787 -0.6787 1.4607 1.4607 1.4888 1.4888 4.5526 4.5526 4.5563 4.5563 5.5142 5.5142 5.5807 5.5807 6.2533 6.2533 6.3910 6.3910 7.0136 7.0136 7.2444 7.2444 7.6968 7.6968 7.7760 7.7760 8.3082 8.3082 8.3401 8.3401 9.9443 9.9443 9.9657 9.9657 14.5248 14.5248 14.5734 14.5734 14.8031 14.8031 14.8180 14.8180 k = 0.0909 0.2521-0.0000 ( 3110 PWs) bands (ev): -0.7084 -0.7084 -0.7064 -0.7064 1.4338 1.4338 1.4594 1.4594 4.5230 4.5230 4.5268 4.5268 5.5006 5.5006 5.5598 5.5598 6.2747 6.2747 6.4008 6.4008 7.0396 7.0396 7.2637 7.2637 7.6925 7.6925 7.7810 7.7810 8.3250 8.3250 8.3496 8.3496 9.8959 9.8959 9.9165 9.9165 14.5281 14.5281 14.5746 14.5746 14.8272 14.8272 14.8408 14.8408 k = 0.0818 0.2521-0.0000 ( 3114 PWs) bands (ev): -0.7334 -0.7334 -0.7316 -0.7316 1.4096 1.4096 1.4325 1.4325 4.4960 4.4960 4.4998 4.4998 5.4879 5.4879 5.5402 5.5402 6.2946 6.2946 6.4087 6.4087 7.0671 7.0671 7.2823 7.2823 7.6886 7.6886 7.7843 7.7843 8.3415 8.3415 8.3594 8.3594 9.8492 9.8492 9.8688 9.8688 14.5240 14.5240 14.5661 14.5661 14.8441 14.8441 14.8573 14.8573 k = 0.0727 0.2521-0.0000 ( 3114 PWs) bands (ev): -0.7558 -0.7558 -0.7542 -0.7542 1.3879 1.3879 1.4083 1.4083 4.4715 4.4715 4.4752 4.4752 5.4765 5.4765 5.5221 5.5221 6.3129 6.3129 6.4147 6.4147 7.0956 7.0956 7.2994 7.2994 7.6856 7.6856 7.7859 7.7859 8.3574 8.3574 8.3693 8.3693 9.8047 9.8047 9.8232 9.8232 14.5165 14.5165 14.5538 14.5538 14.8570 14.8570 14.8693 14.8693 k = 0.0636 0.2521-0.0000 ( 3114 PWs) bands (ev): -0.7756 -0.7756 -0.7743 -0.7743 1.3689 1.3689 1.3867 1.3867 4.4497 4.4497 4.4532 4.4532 5.4664 5.4664 5.5057 5.5057 6.3297 6.3297 6.4188 6.4188 7.1247 7.1247 7.3142 7.3142 7.6842 7.6842 7.7855 7.7855 8.3724 8.3724 8.3793 8.3793 9.7634 9.7634 9.7805 9.7805 14.5079 14.5079 14.5402 14.5402 14.8671 14.8671 14.8782 14.8782 k = 0.0545 0.2521-0.0000 ( 3114 PWs) bands (ev): -0.7928 -0.7928 -0.7917 -0.7917 1.3525 1.3525 1.3678 1.3678 4.4308 4.4308 4.4339 4.4339 5.4578 5.4578 5.4910 5.4910 6.3449 6.3449 6.4213 6.4213 7.1538 7.1538 7.3257 7.3257 7.6847 7.6847 7.7832 7.7832 8.3861 8.3861 8.3891 8.3891 9.7259 9.7259 9.7414 9.7414 14.4994 14.4994 14.5268 14.5268 14.8752 14.8752 14.8850 14.8850 k = 0.0455 0.2521-0.0000 ( 3106 PWs) bands (ev): -0.8074 -0.8074 -0.8065 -0.8065 1.3389 1.3389 1.3516 1.3516 4.4146 4.4146 4.4174 4.4174 5.4507 5.4507 5.4781 5.4781 6.3586 6.3586 6.4222 6.4222 7.1824 7.1824 7.3332 7.3332 7.6876 7.6876 7.7789 7.7789 8.3979 8.3979 8.3987 8.3987 9.6929 9.6929 9.7065 9.7065 14.4918 14.4918 14.5145 14.5145 14.8818 14.8818 14.8900 14.8900 k = 0.0364 0.2521-0.0000 ( 3106 PWs) bands (ev): -0.8194 -0.8194 -0.8186 -0.8186 1.3279 1.3279 1.3381 1.3381 4.4014 4.4014 4.4037 4.4037 5.4453 5.4453 5.4670 5.4670 6.3708 6.3708 6.4217 6.4217 7.2100 7.2100 7.3361 7.3361 7.6931 7.6931 7.7728 7.7728 8.4068 8.4068 8.4085 8.4085 9.6652 9.6652 9.6766 9.6766 14.4855 14.4855 14.5035 14.5035 14.8870 14.8870 14.8936 14.8936 k = 0.0273 0.2521-0.0000 ( 3106 PWs) bands (ev): -0.8287 -0.8287 -0.8281 -0.8281 1.3197 1.3197 1.3273 1.3273 4.3912 4.3912 4.3930 4.3930 5.4416 5.4416 5.4578 5.4578 6.3816 6.3816 6.4197 6.4197 7.2361 7.2361 7.3341 7.3341 7.7009 7.7009 7.7648 7.7648 8.4141 8.4141 8.4165 8.4165 9.6433 9.6433 9.6521 9.6521 14.4808 14.4808 14.4942 14.4942 14.8911 14.8911 14.8960 14.8960 k = 0.0182 0.2521-0.0000 ( 3118 PWs) bands (ev): -0.8353 -0.8353 -0.8349 -0.8349 1.3141 1.3141 1.3192 1.3192 4.3839 4.3839 4.3852 4.3852 5.4397 5.4397 5.4505 5.4505 6.3911 6.3911 6.4165 6.4165 7.2603 7.2603 7.3272 7.3272 7.7107 7.7107 7.7553 7.7553 8.4199 8.4199 8.4221 8.4221 9.6277 9.6277 9.6338 9.6338 14.4780 14.4780 14.4869 14.4869 14.8941 14.8941 14.8974 14.8974 k = 0.0091 0.2521-0.0000 ( 3126 PWs) bands (ev): -0.8392 -0.8392 -0.8390 -0.8390 1.3113 1.3113 1.3138 1.3138 4.3797 4.3797 4.3804 4.3804 5.4396 5.4396 5.4450 5.4450 6.3993 6.3993 6.4120 6.4120 7.2820 7.2820 7.3160 7.3160 7.7217 7.7217 7.7446 7.7446 8.4238 8.4238 8.4252 8.4252 9.6188 9.6188 9.6219 9.6219 14.4771 14.4771 14.4816 14.4816 14.8962 14.8962 14.8979 14.8979 k = 0.0000 0.2521-0.0000 ( 3126 PWs) bands (ev): -0.8405 -0.8405 -0.8404 -0.8404 1.3111 1.3111 1.3113 1.3113 4.3784 4.3784 4.3787 4.3787 5.4410 5.4410 5.4417 5.4417 6.4060 6.4060 6.4065 6.4065 7.3004 7.3004 7.3010 7.3010 7.7329 7.7329 7.7335 7.7335 8.4253 8.4253 8.4261 8.4261 9.6168 9.6168 9.6170 9.6170 14.4782 14.4782 14.4783 14.4783 14.8973 14.8973 14.8976 14.8976 k = 0.0000 0.2521-0.0000 ( 3126 PWs) bands (ev): -0.8405 -0.8405 -0.8404 -0.8404 1.3111 1.3111 1.3113 1.3113 4.3784 4.3784 4.3787 4.3787 5.4410 5.4410 5.4417 5.4417 6.4060 6.4060 6.4065 6.4065 7.3004 7.3004 7.3010 7.3010 7.7329 7.7329 7.7335 7.7335 8.4253 8.4253 8.4261 8.4261 9.6168 9.6168 9.6170 9.6170 14.4782 14.4782 14.4783 14.4783 14.8973 14.8973 14.8976 14.8976 k = 0.0000 0.2431-0.0000 ( 3126 PWs) bands (ev): -0.9187 -0.9187 -0.7603 -0.7603 1.2651 1.2651 1.3583 1.3583 4.3716 4.3716 4.3866 4.3866 5.4122 5.4122 5.4703 5.4703 6.3809 6.3809 6.4304 6.4304 7.2735 7.2735 7.3253 7.3253 7.7213 7.7213 7.7456 7.7456 8.4191 8.4191 8.4312 8.4312 9.5143 9.5143 9.7188 9.7188 14.3676 14.3676 14.5203 14.5203 14.8623 14.8623 15.0090 15.0090 k = 0.0000 0.2341-0.0000 ( 3122 PWs) bands (ev): -0.9948 -0.9948 -0.6784 -0.6784 1.2202 1.2202 1.4060 1.4060 4.3657 4.3657 4.3957 4.3957 5.3825 5.3825 5.4994 5.4994 6.3548 6.3548 6.4531 6.4531 7.2432 7.2432 7.3474 7.3474 7.7100 7.7100 7.7584 7.7584 8.4115 8.4115 8.4358 8.4358 9.4138 9.4138 9.8173 9.8173 14.2401 14.2401 14.4577 14.4577 14.9400 14.9400 15.1444 15.1444 k = 0.0000 0.2251-0.0000 ( 3116 PWs) bands (ev): -1.0687 -1.0687 -0.5952 -0.5952 1.1771 1.1771 1.4540 1.4540 4.3608 4.3608 4.4060 4.4060 5.3519 5.3519 5.5290 5.5290 6.3284 6.3284 6.4737 6.4737 7.2097 7.2097 7.3676 7.3676 7.6993 7.6993 7.7714 7.7714 8.4026 8.4026 8.4393 8.4393 9.3179 9.3179 9.9091 9.9091 14.1117 14.1117 14.3535 14.3535 15.0685 15.0685 15.2867 15.2867 k = 0.0000 0.2161-0.0000 ( 3108 PWs) bands (ev): -1.1403 -1.1403 -0.5108 -0.5108 1.1361 1.1361 1.5019 1.5019 4.3569 4.3569 4.4173 4.4173 5.3200 5.3200 5.5593 5.5593 6.3019 6.3019 6.4916 6.4916 7.1729 7.1729 7.3861 7.3861 7.6895 7.6895 7.7847 7.7847 8.3925 8.3925 8.4418 8.4418 9.2285 9.2285 9.9910 9.9910 13.9870 13.9870 14.2458 14.2458 15.2112 15.2112 15.4293 15.4293 k = 0.0000 0.2071-0.0000 ( 3108 PWs) bands (ev): -1.2093 -1.2093 -0.4258 -0.4258 1.0979 1.0979 1.5496 1.5496 4.3537 4.3537 4.4296 4.4296 5.2863 5.2863 5.5907 5.5907 6.2757 6.2757 6.5062 6.5062 7.1331 7.1331 7.4030 7.4030 7.6804 7.6804 7.7983 7.7983 8.3810 8.3810 8.4434 8.4434 9.1476 9.1476 10.0597 10.0597 13.8673 13.8673 14.1480 14.1480 15.3569 15.3569 15.5681 15.5681 k = 0.0000 0.1981-0.0000 ( 3106 PWs) bands (ev): -1.2759 -1.2759 -0.3408 -0.3408 1.0631 1.0631 1.5968 1.5968 4.3512 4.3512 4.4429 4.4429 5.2504 5.2504 5.6233 5.6233 6.2501 6.2501 6.5165 6.5165 7.0908 7.0908 7.4187 7.4187 7.6724 7.6724 7.8121 7.8121 8.3682 8.3682 8.4442 8.4442 9.0764 9.0764 10.1122 10.1122 13.7519 13.7519 14.0675 14.0675 15.5005 15.5005 15.7004 15.7004 k = 0.0000 0.1891-0.0000 ( 3112 PWs) bands (ev): -1.3398 -1.3398 -0.2564 -0.2564 1.0324 1.0324 1.6432 1.6432 4.3492 4.3492 4.4569 4.4569 5.2118 5.2118 5.6575 5.6575 6.2254 6.2254 6.5215 6.5215 7.0474 7.0474 7.4331 7.4331 7.6653 7.6653 7.8263 7.8263 8.3542 8.3542 8.4441 8.4441 9.0153 9.0153 10.1457 10.1457 13.6394 13.6394 14.0101 14.0101 15.6378 15.6378 15.8247 15.8247 k = 0.0000 0.1801-0.0000 ( 3110 PWs) bands (ev): -1.4010 -1.4010 -0.1738 -0.1738 1.0071 1.0071 1.6886 1.6886 4.3476 4.3476 4.4716 4.4716 5.1700 5.1700 5.6932 5.6932 6.2020 6.2020 6.5200 6.5200 7.0044 7.0044 7.4462 7.4462 7.6593 7.6593 7.8411 7.8411 8.3396 8.3396 8.4435 8.4435 8.9645 8.9645 10.1582 10.1582 13.5289 13.5289 13.9793 13.9793 15.7627 15.7627 15.9415 15.9415 k = 0.0000 0.1711-0.0000 ( 3110 PWs) bands (ev): -1.4595 -1.4595 -0.0942 -0.0942 0.9883 0.9883 1.7328 1.7328 4.3460 4.3460 4.4868 4.4868 5.1246 5.1246 5.7304 5.7304 6.1804 6.1804 6.5107 6.5107 6.9640 6.9640 7.4580 7.4580 7.6544 7.6544 7.8567 7.8567 8.3247 8.3247 8.4425 8.4425 8.9230 8.9230 10.1487 10.1487 13.4204 13.4204 13.9767 13.9767 15.8612 15.8612 16.0072 16.0072 k = 0.0000 0.1621-0.0000 ( 3122 PWs) bands (ev): -1.5152 -1.5152 -0.0193 -0.0193 0.9778 0.9778 1.7755 1.7755 4.3442 4.3442 4.5022 4.5022 5.0751 5.0751 5.7689 5.7689 6.1612 6.1612 6.4928 6.4928 6.9284 6.9284 7.4684 7.4684 7.6507 7.6507 7.8734 7.8734 8.3103 8.3103 8.4411 8.4411 8.8899 8.8899 10.1175 10.1175 13.3144 13.3144 14.0018 14.0018 15.8750 15.8750 16.0087 16.0087 k = 0.0000 0.1531-0.0000 ( 3114 PWs) bands (ev): -1.5681 -1.5681 0.0490 0.0490 0.9774 0.9774 1.8167 1.8167 4.3418 4.3418 4.5177 4.5177 5.0214 5.0214 5.8079 5.8079 6.1454 6.1454 6.4663 6.4663 6.8991 6.8991 7.4772 7.4772 7.6480 7.6480 7.8913 7.8913 8.2969 8.2969 8.4396 8.4396 8.8635 8.8635 10.0658 10.0658 13.2116 13.2116 14.0527 14.0527 15.8154 15.8154 16.0659 16.0659 k = 0.0000 0.1441-0.0000 ( 3110 PWs) bands (ev): -1.6181 -1.6181 0.1086 0.1086 0.9892 0.9892 1.8561 1.8561 4.3382 4.3382 4.5330 4.5330 4.9635 4.9635 5.8459 5.8459 6.1346 6.1346 6.4327 6.4327 6.8764 6.8764 7.4843 7.4843 7.6465 7.6465 7.9107 7.9107 8.2849 8.2849 8.4381 8.4381 8.8426 8.8426 9.9956 9.9956 13.1126 13.1126 14.1269 14.1269 15.7476 15.7476 16.1180 16.1180 k = 0.0000 0.1351-0.0000 ( 3112 PWs) bands (ev): -1.6652 -1.6652 0.1578 0.1578 1.0148 1.0148 1.8936 1.8936 4.3326 4.3326 4.5479 4.5479 4.9018 4.9018 5.8804 5.8804 6.1309 6.1309 6.3947 6.3947 6.8597 6.8597 7.4897 7.4897 7.6459 7.6459 7.9316 7.9316 8.2746 8.2746 8.4366 8.4366 8.8256 8.8256 9.9095 9.9095 13.0180 13.0180 14.2211 14.2211 15.6811 15.6811 16.1591 16.1591 k = 0.0000 0.1261-0.0000 ( 3112 PWs) bands (ev): -1.7094 -1.7094 0.1955 0.1955 1.0551 1.0551 1.9291 1.9291 4.3237 4.3237 4.5619 4.5619 4.8376 4.8376 5.9075 5.9075 6.1367 6.1367 6.3567 6.3567 6.8477 6.8477 7.4934 7.4934 7.6461 7.6461 7.9540 7.9540 8.2661 8.2661 8.4352 8.4352 8.8115 8.8115 9.8104 9.8104 12.9282 12.9282 14.3320 14.3320 15.6177 15.6177 16.1907 16.1907 k = 0.0000 0.1171-0.0000 ( 3104 PWs) bands (ev): -1.7506 -1.7506 0.2219 0.2219 1.1095 1.1095 1.9627 1.9627 4.3097 4.3097 4.5746 4.5746 4.7731 4.7731 5.9243 5.9243 6.1512 6.1512 6.3249 6.3249 6.8394 6.8394 7.4955 7.4955 7.6470 7.6470 7.9779 7.9779 8.2593 8.2593 8.4339 8.4339 8.7992 8.7992 9.7010 9.7010 12.8435 12.8435 14.4562 14.4562 15.5580 15.5580 16.2148 16.2148 k = 0.0000 0.1081-0.0000 ( 3108 PWs) bands (ev): -1.7889 -1.7889 0.2385 0.2385 1.1765 1.1765 1.9941 1.9941 4.2877 4.2877 4.5847 4.5847 4.7126 4.7126 5.9311 5.9311 6.1632 6.1632 6.3120 6.3120 6.8337 6.8337 7.4961 7.4961 7.6483 7.6483 8.0028 8.0028 8.2543 8.2543 8.4328 8.4328 8.7879 8.7879 9.5841 9.5841 12.7644 12.7644 14.5906 14.5906 15.5022 15.5022 16.2328 16.2328 k = 0.0000 0.0990-0.0000 ( 3116 PWs) bands (ev): -1.8241 -1.8241 0.2472 0.2472 1.2536 1.2536 2.0234 2.0234 4.2542 4.2542 4.5882 4.5882 4.6642 4.6642 5.9308 5.9308 6.1569 6.1569 6.3322 6.3322 6.8302 6.8302 7.4953 7.4953 7.6499 7.6499 8.0283 8.0283 8.2510 8.2510 8.4317 8.4317 8.7771 8.7771 9.4623 9.4623 12.6909 12.6909 14.7322 14.7322 15.4506 15.4506 16.2463 16.2463 k = 0.0000 0.0900-0.0000 ( 3120 PWs) bands (ev): -1.8564 -1.8564 0.2500 0.2500 1.3383 1.3383 2.0506 2.0506 4.2059 4.2059 4.5751 4.5751 4.6417 4.6417 5.9265 5.9265 6.1351 6.1351 6.3797 6.3797 6.8286 6.8286 7.4930 7.4930 7.6516 7.6516 8.0536 8.0536 8.2494 8.2494 8.4307 8.4307 8.7661 8.7661 9.3379 9.3379 12.6234 12.6234 14.8779 14.8779 15.4034 15.4034 16.2563 16.2563 k = 0.0000 0.0810-0.0000 ( 3120 PWs) bands (ev): -1.8856 -1.8856 0.2489 0.2489 1.4279 1.4279 2.0759 2.0759 4.1423 4.1423 4.5512 4.5512 4.6411 4.6411 5.9202 5.9202 6.1087 6.1087 6.4412 6.4412 6.8293 6.8293 7.4893 7.4893 7.6533 7.6533 8.0777 8.0777 8.2497 8.2497 8.4297 8.4297 8.7549 8.7549 9.2132 9.2132 12.5619 12.5619 15.0245 15.0245 15.3614 15.3614 16.2638 16.2638 k = 0.0000 0.0720-0.0000 ( 3124 PWs) bands (ev): -1.9118 -1.9118 0.2451 0.2451 1.5200 1.5200 2.0994 2.0994 4.0661 4.0661 4.5310 4.5310 4.6467 4.6467 5.9133 5.9133 6.0829 6.0829 6.5088 6.5088 6.8331 6.8331 7.4838 7.4838 7.6550 7.6550 8.0993 8.0993 8.2524 8.2524 8.4288 8.4288 8.7431 8.7431 9.0907 9.0907 12.5067 12.5067 15.1666 15.1666 15.3273 15.3273 16.2696 16.2696 k = 0.0000 0.0630-0.0000 ( 3128 PWs) bands (ev): -1.9349 -1.9349 0.2400 0.2400 1.6121 1.6121 2.1213 2.1213 3.9816 3.9816 4.5168 4.5168 4.6532 4.6532 5.9064 5.9064 6.0595 6.0595 6.5771 6.5771 6.8422 6.8422 7.4763 7.4763 7.6565 7.6565 8.1165 8.1165 8.2582 8.2582 8.4279 8.4279 8.7308 8.7308 8.9730 8.9730 12.4577 12.4577 15.2595 15.2595 15.3429 15.3429 16.2744 16.2744 k = 0.0000 0.0540-0.0000 ( 3120 PWs) bands (ev): -1.9550 -1.9550 0.2343 0.2343 1.7014 1.7014 2.1420 2.1420 3.8938 3.8938 4.5074 4.5074 4.6594 4.6594 5.9000 5.9000 6.0391 6.0391 6.6394 6.6394 6.8611 6.8611 7.4663 7.4663 7.6579 7.6579 8.1278 8.1278 8.2673 8.2673 8.4271 8.4271 8.7181 8.7181 8.8628 8.8628 12.4152 12.4152 15.2463 15.2463 15.4623 15.4623 16.2789 16.2789 k = 0.0000 0.0450-0.0000 ( 3125 PWs) bands (ev): -1.9720 -1.9720 0.2286 0.2286 1.7848 1.7848 2.1620 2.1620 3.8069 3.8069 4.5012 4.5012 4.6649 4.6649 5.8943 5.8943 6.0219 6.0219 6.6877 6.6877 6.8956 6.8956 7.4529 7.4529 7.6591 7.6591 8.1322 8.1322 8.2790 8.2790 8.4267 8.4267 8.7054 8.7054 8.7633 8.7633 12.3791 12.3791 15.2234 15.2234 15.5855 15.5855 16.2837 16.2837 k = 0.0000 0.0360-0.0000 ( 3121 PWs) bands (ev): -1.9859 -1.9859 0.2235 0.2235 1.8586 1.8586 2.1819 2.1819 3.7254 3.7254 4.4972 4.4972 4.6694 4.6694 5.8895 5.8895 6.0080 6.0080 6.7180 6.7180 6.9477 6.9477 7.4355 7.4355 7.6600 7.6600 8.1299 8.1299 8.2917 8.2917 8.4272 8.4272 8.6779 8.6779 8.6933 8.6933 12.3496 12.3496 15.2034 15.2034 15.6962 15.6962 16.2894 16.2894 k = 0.0000 0.0270-0.0000 ( 3127 PWs) bands (ev): -1.9967 -1.9967 0.2192 0.2192 1.9189 1.9189 2.2018 2.2018 3.6540 3.6540 4.4947 4.4947 4.6730 4.6730 5.8857 5.8857 5.9973 5.9973 6.7343 6.7343 7.0104 7.0104 7.4132 7.4132 7.6608 7.6608 8.1225 8.1225 8.3028 8.3028 8.4293 8.4293 8.6096 8.6096 8.6822 8.6822 12.3266 12.3266 15.1875 15.1875 15.7888 15.7888 16.2962 16.2962 k = 0.0000 0.0180-0.0000 ( 3121 PWs) bands (ev): -2.0044 -2.0044 0.2160 0.2160 1.9627 1.9627 2.2202 2.2202 3.5976 3.5976 4.4931 4.4931 4.6755 4.6755 5.8830 5.8830 5.9898 5.9898 6.7426 6.7426 7.0730 7.0730 7.3869 7.3869 7.6614 7.6614 8.1127 8.1127 8.3106 8.3106 8.4338 8.4338 8.5595 8.5595 8.6733 8.6733 12.3101 12.3101 15.1760 15.1760 15.8586 15.8586 16.3037 16.3037 k = 0.0000 0.0090-0.0000 ( 3123 PWs) bands (ev): -2.0091 -2.0091 0.2140 0.2140 1.9887 1.9887 2.2340 2.2340 3.5612 3.5612 4.4923 4.4923 4.6771 4.6771 5.8813 5.8813 5.9853 5.9853 6.7465 6.7465 7.1235 7.1235 7.3611 7.3611 7.6617 7.6617 8.1042 8.1042 8.3147 8.3147 8.4398 8.4398 8.5278 8.5278 8.6675 8.6675 12.3002 12.3002 15.1691 15.1691 15.9020 15.9020 16.3102 16.3102 k = 0.0000 0.0000 0.0000 ( 3115 PWs) bands (ev): -2.0106 -2.0106 0.2133 0.2133 1.9973 1.9973 2.2393 2.2393 3.5486 3.5486 4.4920 4.4920 4.6776 4.6776 5.8808 5.8808 5.9838 5.9838 6.7477 6.7477 7.1445 7.1445 7.3489 7.3489 7.6618 7.6618 8.1009 8.1009 8.3158 8.3158 8.4431 8.4431 8.5165 8.5165 8.6655 8.6655 12.2969 12.2969 15.1668 15.1668 15.9166 15.9166 16.3128 16.3128 k = 0.0000 0.0000 0.0000 ( 3115 PWs) bands (ev): -2.0106 -2.0106 0.2133 0.2133 1.9973 1.9973 2.2393 2.2393 3.5486 3.5486 4.4920 4.4920 4.6776 4.6776 5.8808 5.8808 5.9838 5.9838 6.7477 6.7477 7.1445 7.1445 7.3489 7.3489 7.6618 7.6618 8.1009 8.1009 8.3158 8.3158 8.4431 8.4431 8.5165 8.5165 8.6655 8.6655 12.2969 12.2969 15.1668 15.1668 15.9166 15.9166 16.3128 16.3128 k = 0.0000 0.0000 0.0090 ( 3119 PWs) bands (ev): -2.0092 -2.0092 0.2106 0.2106 1.9968 1.9968 2.2367 2.2367 3.5517 3.5517 4.4958 4.4958 4.6779 4.6779 5.8809 5.8809 5.9836 5.9836 6.7432 6.7432 7.1466 7.1466 7.3465 7.3465 7.6616 7.6616 8.0928 8.0928 8.3131 8.3131 8.3802 8.3802 8.5906 8.5906 8.6743 8.6743 12.2987 12.2987 15.1685 15.1685 15.9103 15.9103 16.2869 16.2869 k = 0.0000 0.0000 0.0181 ( 3119 PWs) bands (ev): -2.0049 -2.0049 0.2024 0.2024 1.9954 1.9954 2.2293 2.2293 3.5607 3.5607 4.5069 4.5069 4.6790 4.6790 5.8812 5.8812 5.9830 5.9830 6.7301 6.7301 7.1523 7.1523 7.3395 7.3395 7.6610 7.6610 8.0656 8.0656 8.2899 8.2899 8.3344 8.3344 8.6435 8.6435 8.7457 8.7457 12.3038 12.3038 15.1737 15.1737 15.8844 15.8844 16.1966 16.1966 k = 0.0000 0.0000 0.0271 ( 3119 PWs) bands (ev): -1.9977 -1.9977 0.1888 0.1888 1.9929 1.9929 2.2177 2.2177 3.5748 3.5748 4.5250 4.5250 4.6811 4.6811 5.8813 5.8813 5.9824 5.9824 6.7095 6.7095 7.1601 7.1601 7.3276 7.3276 7.6599 7.6599 8.0176 8.0176 8.2549 8.2549 8.3288 8.3288 8.6536 8.6536 8.8713 8.8713 12.3124 12.3124 15.1822 15.1822 15.8074 15.8074 16.0757 16.0757 k = 0.0000 0.0000 0.0362 ( 3109 PWs) bands (ev): -1.9876 -1.9876 0.1698 0.1698 1.9895 1.9895 2.2031 2.2031 3.5931 3.5931 4.5488 4.5488 4.6848 4.6848 5.8807 5.8807 5.9823 5.9823 6.6830 6.6830 7.1677 7.1677 7.3112 7.3112 7.6584 7.6584 7.9586 7.9586 8.2372 8.2372 8.3296 8.3296 8.6595 8.6595 9.0084 9.0084 12.3244 12.3244 15.1934 15.1934 15.6464 15.6464 16.0064 16.0064 k = 0.0000 0.0000 0.0452 ( 3118 PWs) bands (ev): -1.9747 -1.9747 0.1454 0.1454 1.9850 1.9850 2.1867 2.1867 3.6145 3.6145 4.5765 4.5765 4.6917 4.6917 5.8784 5.8784 5.9836 5.9836 6.6519 6.6519 7.1712 7.1712 7.2923 7.2923 7.6565 7.6565 7.9010 7.9010 8.2311 8.2311 8.3320 8.3320 8.6660 8.6660 9.1506 9.1506 12.3400 12.3400 15.2046 15.2046 15.4425 15.4425 15.9742 15.9742 k = 0.0000 0.0000 0.0543 ( 3112 PWs) bands (ev): -1.9590 -1.9590 0.1157 0.1157 1.9794 1.9794 2.1697 2.1697 3.6380 3.6380 4.6036 4.6036 4.7050 4.7050 5.8731 5.8731 5.9877 5.9877 6.6179 6.6179 7.1646 7.1646 7.2762 7.2762 7.6543 7.6543 7.8518 7.8518 8.2311 8.2311 8.3353 8.3353 8.6739 8.6739 9.2955 9.2955 12.3592 12.3592 15.1729 15.1729 15.2728 15.2728 15.9521 15.9521 k = 0.0000 0.0000 0.0633 ( 3110 PWs) bands (ev): -1.9404 -1.9404 0.0810 0.0810 1.9730 1.9730 2.1530 2.1530 3.6626 3.6626 4.6242 4.6242 4.7295 4.7295 5.8635 5.8635 5.9956 5.9956 6.5821 6.5821 7.1423 7.1423 7.2686 7.2686 7.6519 7.6519 7.8131 7.8131 8.2344 8.2344 8.3395 8.3395 8.6839 8.6839 9.4414 9.4414 12.3821 12.3821 14.9804 14.9804 15.2668 15.2668 15.9307 15.9307 k = 0.0000 0.0000 0.0723 ( 3108 PWs) bands (ev): -1.9190 -1.9190 0.0412 0.0412 1.9658 1.9658 2.1375 2.1375 3.6877 3.6877 4.6357 4.6357 4.7665 4.7665 5.8488 5.8488 6.0084 6.0084 6.5461 6.5461 7.1063 7.1063 7.2689 7.2689 7.6498 7.6498 7.7843 7.7843 8.2396 8.2396 8.3443 8.3443 8.6964 8.6964 9.5868 9.5868 12.4086 12.4086 14.7668 14.7668 15.2896 15.2896 15.9039 15.9039 k = 0.0000 0.0000 0.0814 ( 3108 PWs) bands (ev): -1.8948 -1.8948 -0.0032 -0.0032 1.9582 1.9582 2.1236 2.1236 3.7131 3.7131 4.6404 4.6404 4.8118 4.8118 5.8285 5.8285 6.0266 6.0266 6.5111 6.5111 7.0631 7.0631 7.2727 7.2727 7.6483 7.6483 7.7636 7.7636 8.2459 8.2459 8.3495 8.3495 8.7121 8.7121 9.7301 9.7301 12.4390 12.4390 14.5580 14.5580 15.3183 15.3183 15.8398 15.8398 k = 0.0000 0.0000 0.0904 ( 3110 PWs) bands (ev): -1.8679 -1.8679 -0.0520 -0.0520 1.9507 1.9507 2.1114 2.1114 3.7384 3.7384 4.6408 4.6408 4.8610 4.8610 5.8027 5.8027 6.0504 6.0504 6.4784 6.4784 7.0172 7.0172 7.2771 7.2771 7.6475 7.6475 7.7489 7.7489 8.2527 8.2527 8.3551 8.3551 8.7313 8.7313 9.8693 9.8693 12.4732 12.4732 14.3581 14.3581 15.3509 15.3509 15.7338 15.7338 k = 0.0000 0.0000 0.0995 ( 3110 PWs) bands (ev): -1.8382 -1.8382 -0.1047 -0.1047 1.9437 1.9437 2.1007 2.1007 3.7637 3.7637 4.6382 4.6382 4.9111 4.9111 5.7717 5.7717 6.0798 6.0798 6.4490 6.4490 6.9717 6.9717 7.2808 7.2808 7.6476 7.6476 7.7384 7.7384 8.2598 8.2598 8.3606 8.3606 8.7548 8.7548 10.0023 10.0023 12.5112 12.5112 14.1701 14.1701 15.3867 15.3867 15.6184 15.6184 k = 0.0000 0.0000 0.1085 ( 3106 PWs) bands (ev): -1.8058 -1.8058 -0.1611 -0.1611 1.9378 1.9378 2.0913 2.0913 3.7892 3.7892 4.6329 4.6329 4.9598 4.9598 5.7362 5.7362 6.1149 6.1149 6.4237 6.4237 6.9283 6.9283 7.2830 7.2830 7.6485 7.6485 7.7306 7.7306 8.2670 8.2670 8.3659 8.3659 8.7830 8.7830 10.1264 10.1264 12.5531 12.5531 13.9967 13.9967 15.4253 15.4253 15.4984 15.4984 k = 0.0000 0.0000 0.1175 ( 3100 PWs) bands (ev): -1.7707 -1.7707 -0.2207 -0.2207 1.9331 1.9331 2.0830 2.0830 3.8149 3.8149 4.6250 4.6250 5.0055 5.0055 5.6972 5.6972 6.1551 6.1551 6.4029 6.4029 6.8883 6.8883 7.2834 7.2834 7.6502 7.6502 7.7247 7.7247 8.2740 8.2740 8.3707 8.3707 8.8165 8.8165 10.2385 10.2385 12.5989 12.5989 13.8413 13.8413 15.3747 15.3747 15.4665 15.4665 k = 0.0000 0.0000 0.1266 ( 3090 PWs) bands (ev): -1.7330 -1.7330 -0.2830 -0.2830 1.9300 1.9300 2.0754 2.0754 3.8412 3.8412 4.6142 4.6142 5.0473 5.0473 5.6558 5.6558 6.1995 6.1995 6.3867 6.3867 6.8524 6.8524 7.2819 7.2819 7.6524 7.6524 7.7200 7.7200 8.2810 8.2810 8.3748 8.3748 8.8558 8.8558 10.3351 10.3351 12.6485 12.6485 13.7073 13.7073 15.2493 15.2493 15.5076 15.5076 k = 0.0000 0.0000 0.1356 ( 3098 PWs) bands (ev): -1.6927 -1.6927 -0.3476 -0.3476 1.9285 1.9285 2.0683 2.0683 3.8681 3.8681 4.6004 4.6004 5.0845 5.0845 5.6135 5.6135 6.2463 6.2463 6.3754 6.3754 6.8217 6.8217 7.2783 7.2783 7.6549 7.6549 7.7161 7.7161 8.2879 8.2879 8.3780 8.3780 8.9012 8.9012 10.4124 10.4124 12.7019 12.7019 13.5985 13.5985 15.1229 15.1229 15.5375 15.5375 k = 0.0000 0.0000 0.1447 ( 3094 PWs) bands (ev): -1.6499 -1.6499 -0.4140 -0.4140 1.9286 1.9286 2.0615 2.0615 3.8960 3.8960 4.5831 4.5831 5.1170 5.1170 5.5714 5.5714 6.2920 6.2920 6.3698 6.3698 6.7973 6.7973 7.2724 7.2724 7.6577 7.6577 7.7127 7.7127 8.2946 8.2946 8.3801 8.3801 8.9530 8.9530 10.4666 10.4666 12.7592 12.7592 13.5182 13.5182 14.9963 14.9963 15.5055 15.5055 k = 0.0000 0.0000 0.1537 ( 3098 PWs) bands (ev): -1.6046 -1.6046 -0.4819 -0.4819 1.9303 1.9303 2.0548 2.0548 3.9249 3.9249 4.5623 4.5623 5.1450 5.1450 5.5309 5.5309 6.3284 6.3284 6.3748 6.3748 6.7811 6.7811 7.2641 7.2641 7.6606 7.6606 7.7097 7.7097 8.3013 8.3013 8.3813 8.3813 9.0115 9.0115 10.4947 10.4947 12.8208 12.8208 13.4685 13.4685 14.8708 14.8708 15.4276 15.4276 k = 0.0000 0.0000 0.1628 ( 3100 PWs) bands (ev): -1.5568 -1.5568 -0.5507 -0.5507 1.9335 1.9335 2.0482 2.0482 3.9551 3.9551 4.5378 4.5378 5.1690 5.1690 5.4927 5.4927 6.3433 6.3433 6.3982 6.3982 6.7756 6.7756 7.2532 7.2532 7.6635 7.6635 7.7069 7.7069 8.3080 8.3080 8.3816 8.3816 9.0769 9.0769 10.4954 10.4954 12.8870 12.8870 13.4497 13.4497 14.7475 14.7475 15.3343 15.3343 k = 0.0000 0.0000 0.1718 ( 3110 PWs) bands (ev): -1.5067 -1.5067 -0.6201 -0.6201 1.9378 1.9378 2.0414 2.0414 3.9867 3.9867 4.5098 4.5098 5.1896 5.1896 5.4575 5.4575 6.3483 6.3483 6.4241 6.4241 6.7831 6.7831 7.2396 7.2396 7.6665 7.6665 7.7042 7.7042 8.3145 8.3145 8.3809 8.3809 9.1492 9.1492 10.4692 10.4692 12.9586 12.9586 13.4593 13.4593 14.6281 14.6281 15.2307 15.2307 k = 0.0000 0.0000 0.1808 ( 3110 PWs) bands (ev): -1.4543 -1.4543 -0.6898 -0.6898 1.9433 1.9433 2.0345 2.0345 4.0198 4.0198 4.4783 4.4783 5.2075 5.2075 5.4256 5.4256 6.3527 6.3527 6.4408 6.4408 6.8045 6.8045 7.2231 7.2231 7.6694 7.6694 7.7015 7.7015 8.3210 8.3210 8.3794 8.3794 9.2285 9.2285 10.4185 10.4185 13.0358 13.0358 13.4923 13.4923 14.5148 14.5148 15.1184 15.1184 k = 0.0000 0.0000 0.1899 ( 3110 PWs) bands (ev): -1.3997 -1.3997 -0.7595 -0.7595 1.9496 1.9496 2.0273 2.0273 4.0544 4.0544 4.4439 4.4439 5.2235 5.2235 5.3970 5.3970 6.3583 6.3583 6.4469 6.4469 6.8375 6.8375 7.2034 7.2034 7.6723 7.6723 7.6989 7.6989 8.3274 8.3274 8.3771 8.3771 9.3147 9.3147 10.3472 10.3472 13.1182 13.1182 13.5412 13.5412 14.4117 14.4117 14.9992 14.9992 k = 0.0000 0.0000 0.1989 ( 3106 PWs) bands (ev): -1.3430 -1.3430 -0.8287 -0.8287 1.9567 1.9567 2.0200 2.0200 4.0905 4.0905 4.4071 4.4071 5.2381 5.2381 5.3717 5.3717 6.3653 6.3653 6.4450 6.4450 6.8782 6.8782 7.1803 7.1803 7.6751 7.6751 7.6964 7.6964 8.3337 8.3337 8.3742 8.3742 9.4076 9.4076 10.2598 10.2598 13.2051 13.2051 13.5949 13.5949 14.3260 14.3260 14.8749 14.8749 k = 0.0000 0.0000 0.2080 ( 3106 PWs) bands (ev): -1.2843 -1.2843 -0.8974 -0.8974 1.9642 1.9642 2.0124 2.0124 4.1279 4.1279 4.3684 4.3684 5.2521 5.2521 5.3492 5.3492 6.3736 6.3736 6.4379 6.4379 6.9225 6.9225 7.1538 7.1538 7.6779 7.6779 7.6938 7.6938 8.3398 8.3398 8.3706 8.3706 9.5065 9.5065 10.1606 10.1606 13.2948 13.2948 13.6367 13.6367 14.2706 14.2706 14.7479 14.7479 k = 0.0000 0.0000 0.2170 ( 3106 PWs) bands (ev): -1.2237 -1.2237 -0.9652 -0.9652 1.9721 1.9721 2.0045 2.0045 4.1667 4.1667 4.3284 4.3284 5.2659 5.2659 5.3293 5.3293 6.3832 6.3832 6.4280 6.4280 6.9674 6.9674 7.1235 7.1235 7.6806 7.6806 7.6912 7.6912 8.3458 8.3458 8.3665 8.3665 9.6107 9.6107 10.0538 10.0538 13.3852 13.3852 13.6468 13.6468 14.2619 14.2619 14.6215 14.6215 k = 0.0000 0.0000 0.2260 ( 3116 PWs) bands (ev): -1.1613 -1.1613 -1.0319 -1.0319 1.9802 1.9802 1.9965 1.9965 4.2064 4.2064 4.2877 4.2877 5.2801 5.2801 5.3114 5.3114 6.3938 6.3938 6.4167 6.4167 7.0109 7.0109 7.0895 7.0895 7.6833 7.6833 7.6886 7.6886 8.3514 8.3514 8.3619 8.3619 9.7192 9.7192 9.9428 9.9428 13.4730 13.4730 13.6157 13.6157 14.3062 14.3062 14.5002 14.5002 k = 0.0000 0.0000 0.2351 ( 3120 PWs) bands (ev): -1.0975 -1.0975 -1.0972 -1.0972 1.9884 1.9884 1.9884 1.9884 4.2466 4.2466 4.2472 4.2472 5.2949 5.2949 5.2954 5.2954 6.4049 6.4049 6.4054 6.4054 7.0516 7.0516 7.0521 7.0521 7.6856 7.6856 7.6863 7.6863 8.3564 8.3564 8.3572 8.3572 9.8304 9.8304 9.8305 9.8305 13.5530 13.5530 13.5532 13.5532 14.3912 14.3912 14.3912 14.3912 k = 0.0000 0.0000 0.2351 ( 3120 PWs) bands (ev): -1.0975 -1.0975 -1.0972 -1.0972 1.9884 1.9884 1.9884 1.9884 4.2466 4.2466 4.2472 4.2472 5.2949 5.2949 5.2954 5.2954 6.4049 6.4049 6.4054 6.4054 7.0516 7.0516 7.0521 7.0521 7.6856 7.6856 7.6863 7.6863 8.3564 8.3564 8.3572 8.3572 9.8304 9.8304 9.8305 9.8305 13.5530 13.5530 13.5532 13.5532 14.3912 14.3912 14.3912 14.3912 k = 0.0091-0.0000 0.2351 ( 3120 PWs) bands (ev): -1.0960 -1.0960 -1.0957 -1.0957 1.9886 1.9886 1.9897 1.9897 4.2478 4.2478 4.2499 4.2499 5.2946 5.2946 5.2966 5.2966 6.4005 6.4005 6.4081 6.4081 7.0436 7.0436 7.0598 7.0598 7.6794 7.6794 7.6947 7.6947 8.3477 8.3477 8.3611 8.3611 9.8280 9.8280 9.8375 9.8375 13.5535 13.5535 13.5544 13.5544 14.3901 14.3901 14.3950 14.3950 k = 0.0182-0.0000 0.2351 ( 3120 PWs) bands (ev): -1.0915 -1.0915 -1.0912 -1.0912 1.9905 1.9905 1.9926 1.9926 4.2528 4.2528 4.2570 4.2570 5.2951 5.2951 5.2990 5.2990 6.3942 6.3942 6.4093 6.4093 7.0355 7.0355 7.0670 7.0670 7.6753 7.6753 7.7053 7.7053 8.3340 8.3340 8.3603 8.3603 9.8302 9.8302 9.8488 9.8488 13.5557 13.5557 13.5574 13.5574 14.3915 14.3915 14.4015 14.4015 k = 0.0273-0.0000 0.2351 ( 3108 PWs) bands (ev): -1.0841 -1.0841 -1.0837 -1.0837 1.9939 1.9939 1.9970 1.9970 4.2616 4.2616 4.2680 4.2680 5.2964 5.2964 5.3023 5.3023 6.3866 6.3866 6.4086 6.4086 7.0277 7.0277 7.0733 7.0733 7.6738 7.6738 7.7174 7.7174 8.3160 8.3160 8.3547 8.3547 9.8369 9.8369 9.8643 9.8643 13.5595 13.5595 13.5620 13.5620 14.3953 14.3953 14.4107 14.4107 k = 0.0364-0.0000 0.2351 ( 3110 PWs) bands (ev): -1.0736 -1.0736 -1.0732 -1.0732 1.9989 1.9989 2.0031 2.0031 4.2744 4.2744 4.2830 4.2830 5.2986 5.2986 5.3067 5.3067 6.3776 6.3776 6.4060 6.4060 7.0207 7.0207 7.0783 7.0783 7.6751 7.6751 7.7306 7.7306 8.2941 8.2941 8.3443 8.3443 9.8480 9.8480 9.8835 9.8835 13.5650 13.5650 13.5682 13.5682 14.4012 14.4012 14.4226 14.4226 k = 0.0455-0.0000 0.2351 ( 3122 PWs) bands (ev): -1.0602 -1.0602 -1.0596 -1.0596 2.0054 2.0054 2.0107 2.0107 4.2909 4.2909 4.3020 4.3020 5.3015 5.3015 5.3120 5.3120 6.3675 6.3675 6.4017 6.4017 7.0147 7.0147 7.0819 7.0819 7.6791 7.6791 7.7444 7.7444 8.2691 8.2691 8.3296 8.3296 9.8632 9.8632 9.9062 9.9062 13.5720 13.5720 13.5759 13.5759 14.4086 14.4086 14.4371 14.4371 k = 0.0545-0.0000 0.2351 ( 3122 PWs) bands (ev): -1.0438 -1.0438 -1.0431 -1.0431 2.0134 2.0134 2.0198 2.0198 4.3112 4.3112 4.3249 4.3249 5.3051 5.3051 5.3182 5.3182 6.3565 6.3565 6.3956 6.3956 7.0098 7.0098 7.0841 7.0841 7.6858 7.6858 7.7582 7.7582 8.2416 8.2416 8.3108 8.3108 9.8823 9.8823 9.9319 9.9319 13.5805 13.5805 13.5848 13.5848 14.4170 14.4170 14.4538 14.4538 k = 0.0636-0.0000 0.2351 ( 3126 PWs) bands (ev): -1.0244 -1.0244 -1.0237 -1.0237 2.0229 2.0229 2.0304 2.0304 4.3351 4.3351 4.3517 4.3517 5.3094 5.3094 5.3254 5.3254 6.3448 6.3448 6.3881 6.3881 7.0063 7.0063 7.0847 7.0847 7.6949 7.6949 7.7712 7.7712 8.2126 8.2126 8.2884 8.2884 9.9048 9.9048 9.9603 9.9603 13.5902 13.5902 13.5948 13.5948 14.4249 14.4249 14.4724 14.4724 k = 0.0727-0.0000 0.2351 ( 3126 PWs) bands (ev): -1.0021 -1.0021 -1.0012 -1.0012 2.0338 2.0338 2.0425 2.0425 4.3626 4.3626 4.3823 4.3823 5.3142 5.3142 5.3335 5.3335 6.3325 6.3325 6.3792 6.3792 7.0041 7.0041 7.0839 7.0839 7.7061 7.7061 7.7826 7.7826 8.1832 8.1832 8.2631 8.2631 9.9305 9.9305 9.9910 9.9910 13.6008 13.6008 13.6053 13.6053 14.4304 14.4304 14.4918 14.4918 k = 0.0818-0.0000 0.2351 ( 3124 PWs) bands (ev): -0.9768 -0.9768 -0.9758 -0.9758 2.0462 2.0462 2.0561 2.0561 4.3934 4.3934 4.4167 4.4167 5.3193 5.3193 5.3426 5.3426 6.3199 6.3199 6.3694 6.3694 7.0033 7.0033 7.0817 7.0817 7.7190 7.7190 7.7909 7.7909 8.1550 8.1550 8.2355 8.2355 9.9588 9.9588 10.0237 10.0237 13.6119 13.6119 13.6159 13.6159 14.4297 14.4297 14.5100 14.5100 k = 0.0909-0.0000 0.2351 ( 3116 PWs) bands (ev): -0.9485 -0.9485 -0.9475 -0.9475 2.0599 2.0599 2.0710 2.0710 4.4274 4.4274 4.4548 4.4548 5.3249 5.3249 5.3526 5.3526 6.3072 6.3072 6.3590 6.3590 7.0038 7.0038 7.0783 7.0783 7.7329 7.7329 7.7946 7.7946 8.1297 8.1297 8.2063 8.2063 9.9894 9.9894 10.0579 10.0579 13.6228 13.6228 13.6255 13.6255 14.4164 14.4164 14.5216 14.5216 k = 0.1000-0.0000 0.2351 ( 3112 PWs) bands (ev): -0.9174 -0.9174 -0.9162 -0.9162 2.0750 2.0750 2.0874 2.0874 4.4644 4.4644 4.4963 4.4963 5.3306 5.3306 5.3635 5.3635 6.2947 6.2947 6.3483 6.3483 7.0055 7.0055 7.0738 7.0738 7.7471 7.7471 7.7916 7.7916 8.1095 8.1095 8.1764 8.1764 10.0220 10.0220 10.0935 10.0935 13.6322 13.6322 13.6324 13.6324 14.3811 14.3811 14.5112 14.5112 k = 0.1091-0.0000 0.2351 ( 3116 PWs) bands (ev): -0.8833 -0.8833 -0.8821 -0.8821 2.0913 2.0913 2.1050 2.1050 4.5041 4.5041 4.5413 4.5413 5.3365 5.3365 5.3755 5.3755 6.2824 6.2824 6.3377 6.3377 7.0082 7.0082 7.0682 7.0682 7.7607 7.7607 7.7802 7.7802 8.0964 8.0964 8.1469 8.1469 10.0563 10.0563 10.1301 10.1301 13.6333 13.6333 13.6380 13.6380 14.3156 14.3156 14.4466 14.4466 k = 0.1182-0.0000 0.2351 ( 3120 PWs) bands (ev): -0.8464 -0.8464 -0.8450 -0.8450 2.1089 2.1089 2.1239 2.1239 4.5462 4.5462 4.5894 4.5894 5.3424 5.3424 5.3886 5.3886 6.2708 6.2708 6.3277 6.3277 7.0119 7.0119 7.0618 7.0618 7.7597 7.7597 7.7721 7.7721 8.0912 8.0912 8.1192 8.1192 10.0919 10.0919 10.1676 10.1676 13.6223 13.6223 13.6357 13.6357 14.2249 14.2249 14.3249 14.3249 k = 0.1273-0.0000 0.2351 ( 3120 PWs) bands (ev): -0.8065 -0.8065 -0.8050 -0.8050 2.1276 2.1276 2.1440 2.1440 4.5902 4.5902 4.6404 4.6404 5.3483 5.3483 5.4029 5.4029 6.2600 6.2600 6.3186 6.3186 7.0162 7.0162 7.0545 7.0545 7.7309 7.7309 7.7796 7.7796 8.0932 8.0932 8.0954 8.0954 10.1285 10.1285 10.2056 10.2056 13.5886 13.5886 13.6165 13.6165 14.1296 14.1296 14.1893 14.1893 k = 0.1364-0.0000 0.2351 ( 3116 PWs) bands (ev): -0.7638 -0.7638 -0.7622 -0.7622 2.1474 2.1474 2.1653 2.1653 4.6358 4.6358 4.6940 4.6940 5.3544 5.3544 5.4188 5.4188 6.2502 6.2502 6.3107 6.3107 7.0211 7.0211 7.0465 7.0465 7.6954 7.6954 7.7810 7.7810 8.0775 8.0775 8.1011 8.1011 10.1660 10.1660 10.2441 10.2441 13.5189 13.5189 13.5652 13.5652 14.0549 14.0549 14.0759 14.0759 k = 0.1455-0.0000 0.2351 ( 3124 PWs) bands (ev): -0.7183 -0.7183 -0.7165 -0.7165 2.1683 2.1683 2.1875 2.1875 4.6822 4.6822 4.7498 4.7498 5.3606 5.3606 5.4365 5.4365 6.2415 6.2415 6.3045 6.3045 7.0263 7.0263 7.0378 7.0378 7.6548 7.6548 7.7744 7.7744 8.0676 8.0676 8.1132 8.1132 10.2040 10.2040 10.2827 10.2827 13.4086 13.4086 13.4684 13.4684 14.0060 14.0060 14.0134 14.0134 k = 0.1545-0.0000 0.2351 ( 3124 PWs) bands (ev): -0.6700 -0.6700 -0.6680 -0.6680 2.1900 2.1900 2.2108 2.2108 4.7289 4.7289 4.8072 4.8072 5.3674 5.3674 5.4565 5.4565 6.2342 6.2342 6.3001 6.3001 7.0284 7.0284 7.0316 7.0316 7.6108 7.6108 7.7588 7.7588 8.0667 8.0667 8.1282 8.1282 10.2424 10.2424 10.3213 10.3213 13.2676 13.2676 13.3317 13.3317 13.9774 13.9774 14.0005 14.0005 k = 0.1636-0.0000 0.2351 ( 3124 PWs) bands (ev): -0.6189 -0.6189 -0.6167 -0.6167 2.2126 2.2126 2.2350 2.2350 4.7750 4.7750 4.8653 4.8653 5.3752 5.3752 5.4793 5.4793 6.2283 6.2283 6.2978 6.2978 7.0184 7.0184 7.0368 7.0368 7.5644 7.5644 7.7352 7.7352 8.0739 8.0739 8.1452 8.1452 10.2810 10.2810 10.3598 10.3598 13.1092 13.1092 13.1723 13.1723 13.9747 13.9747 14.0057 14.0057 k = 0.1727-0.0000 0.2351 ( 3120 PWs) bands (ev): -0.5650 -0.5650 -0.5626 -0.5626 2.2360 2.2360 2.2599 2.2599 4.8196 4.8196 4.9229 4.9229 5.3851 5.3851 5.5056 5.5056 6.2239 6.2239 6.2977 6.2977 7.0078 7.0078 7.0415 7.0415 7.5167 7.5167 7.7053 7.7053 8.0875 8.0875 8.1634 8.1634 10.3196 10.3196 10.3979 10.3979 12.9430 12.9430 13.0031 13.0031 13.9863 13.9863 14.0218 14.0218 k = 0.1818-0.0000 0.2351 ( 3120 PWs) bands (ev): -0.5083 -0.5083 -0.5058 -0.5058 2.2600 2.2600 2.2856 2.2856 4.8617 4.8617 4.9785 4.9785 5.3982 5.3982 5.5360 5.5360 6.2210 6.2210 6.2999 6.2999 6.9966 6.9966 7.0454 7.0454 7.4685 7.4685 7.6710 7.6710 8.1057 8.1057 8.1823 8.1823 10.3581 10.3581 10.4355 10.4355 12.7743 12.7743 12.8311 12.8311 14.0058 14.0058 14.0445 14.0445 k = 0.1909-0.0000 0.2351 ( 3114 PWs) bands (ev): -0.4490 -0.4490 -0.4463 -0.4463 2.2846 2.2846 2.3118 2.3118 4.9006 4.9006 5.0298 5.0298 5.4166 5.4166 5.5711 5.5711 6.2196 6.2196 6.3043 6.3043 6.9849 6.9849 7.0480 7.0480 7.4208 7.4208 7.6338 7.6338 8.1271 8.1271 8.2016 8.2016 10.3961 10.3961 10.4723 10.4723 12.6068 12.6068 12.6602 12.6602 14.0301 14.0301 14.0714 14.0714 k = 0.2000-0.0000 0.2351 ( 3110 PWs) bands (ev): -0.3870 -0.3870 -0.3840 -0.3840 2.3097 2.3097 2.3386 2.3386 4.9355 4.9355 5.0743 5.0743 5.4424 5.4424 5.6111 5.6111 6.2195 6.2195 6.3108 6.3108 6.9727 6.9727 7.0486 7.0486 7.3747 7.3747 7.5947 7.5947 8.1508 8.1508 8.2211 8.2211 10.4336 10.4336 10.5080 10.5080 12.4427 12.4427 12.4928 12.4928 14.0576 14.0576 14.1014 14.1014 k = 0.2091-0.0000 0.2351 ( 3118 PWs) bands (ev): -0.3223 -0.3223 -0.3191 -0.3191 2.3351 2.3351 2.3657 2.3657 4.9660 4.9660 5.1098 5.1098 5.4776 5.4776 5.6560 5.6560 6.2208 6.2208 6.3190 6.3190 6.9601 6.9601 7.0461 7.0461 7.3318 7.3318 7.5548 7.5548 8.1759 8.1759 8.2404 8.2404 10.4703 10.4703 10.5423 10.5423 12.2837 12.2837 12.3304 12.3304 14.0871 14.0871 14.1332 14.1332 k = 0.2182-0.0000 0.2351 ( 3114 PWs) bands (ev): -0.2550 -0.2550 -0.2516 -0.2516 2.3607 2.3607 2.3930 2.3930 4.9919 4.9919 5.1355 5.1355 5.5224 5.5224 5.7051 5.7051 6.2234 6.2234 6.3288 6.3288 6.9472 6.9472 7.0389 7.0389 7.2942 7.2942 7.5147 7.5147 8.2020 8.2020 8.2595 8.2595 10.5059 10.5059 10.5749 10.5749 12.1314 12.1314 12.1744 12.1744 14.1179 14.1179 14.1663 14.1663 k = 0.2273-0.0000 0.2351 ( 3110 PWs) bands (ev): -0.1851 -0.1851 -0.1814 -0.1814 2.3864 2.3864 2.4204 2.4204 5.0136 5.0136 5.1522 5.1522 5.5757 5.5757 5.7572 5.7572 6.2278 6.2278 6.3394 6.3394 6.9340 6.9340 7.0254 7.0254 7.2644 7.2644 7.4753 7.4753 8.2288 8.2288 8.2782 8.2782 10.5400 10.5400 10.6052 10.6052 11.9871 11.9871 12.0258 12.0258 14.1493 14.1493 14.1999 14.1999 k = 0.2364-0.0000 0.2351 ( 3106 PWs) bands (ev): -0.1127 -0.1127 -0.1087 -0.1087 2.4122 2.4122 2.4478 2.4478 5.0314 5.0314 5.1617 5.1617 5.6348 5.6348 5.8100 5.8100 6.2345 6.2345 6.3502 6.3502 6.9207 6.9207 7.0045 7.0045 7.2446 7.2446 7.4373 7.4373 8.2560 8.2560 8.2964 8.2964 10.5723 10.5723 10.6324 10.6324 11.8522 11.8522 11.8857 11.8857 14.1809 14.1809 14.2333 14.2333 k = 0.2455-0.0000 0.2351 ( 3102 PWs) bands (ev): -0.0377 -0.0377 -0.0335 -0.0335 2.4377 2.4377 2.4750 2.4750 5.0460 5.0460 5.1659 5.1659 5.6968 5.6968 5.8602 5.8602 6.2451 6.2451 6.3605 6.3605 6.9071 6.9071 6.9773 6.9773 7.2351 7.2351 7.4017 7.4017 8.2835 8.2835 8.3141 8.3141 10.6021 10.6021 10.6557 10.6557 11.7283 11.7283 11.7551 11.7551 14.2120 14.2120 14.2648 14.2648 k = 0.2545-0.0000 0.2351 ( 3098 PWs) bands (ev): 0.0397 0.0397 0.0443 0.0443 2.4630 2.4630 2.5020 2.5020 5.0581 5.0581 5.1664 5.1664 5.7588 5.7588 5.9034 5.9034 6.2620 6.2620 6.3692 6.3692 6.8933 6.8933 6.9463 6.9463 7.2352 7.2352 7.3696 7.3696 8.3111 8.3111 8.3312 8.3312 10.6287 10.6287 10.6737 10.6737 11.6170 11.6170 11.6353 11.6353 14.2416 14.2416 14.2863 14.2863 k = 0.2636-0.0000 0.2351 ( 3086 PWs) bands (ev): 0.1195 0.1195 0.1244 0.1244 2.4879 2.4879 2.5284 2.5284 5.0682 5.0682 5.1643 5.1643 5.8180 5.8180 5.9342 5.9342 6.2884 6.2884 6.3755 6.3755 6.8791 6.8791 6.9153 6.9153 7.2437 7.2437 7.3427 7.3427 8.3389 8.3389 8.3476 8.3476 10.6510 10.6510 10.6850 10.6850 11.5202 11.5202 11.5275 11.5275 14.1542 14.1542 14.2037 14.2037 k = 0.2727-0.0000 0.2351 ( 3094 PWs) bands (ev): 0.2017 0.2017 0.2070 0.2070 2.5123 2.5123 2.5543 2.5543 5.0769 5.0769 5.1604 5.1604 5.8712 5.8712 5.9487 5.9487 6.3255 6.3255 6.3787 6.3787 6.8645 6.8645 6.8875 6.8875 7.2599 7.2599 7.3223 7.3223 8.3633 8.3633 8.3666 8.3666 10.6675 10.6675 10.6877 10.6877 11.4335 11.4335 11.4401 11.4401 13.9713 13.9713 14.0304 14.0304 k = 0.2818-0.0000 0.2351 ( 3090 PWs) bands (ev): 0.2862 0.2862 0.2919 0.2919 2.5360 2.5360 2.5794 2.5794 5.0847 5.0847 5.1550 5.1550 5.9145 5.9145 5.9462 5.9462 6.3718 6.3718 6.3793 6.3793 6.8499 6.8499 6.8654 6.8654 7.2839 7.2839 7.3101 7.3101 8.3784 8.3784 8.3945 8.3945 10.6764 10.6764 10.6805 10.6805 11.3550 11.3550 11.3780 11.3780 13.7921 13.7921 13.8535 13.8535 k = 0.2909-0.0000 0.2351 ( 3098 PWs) bands (ev): 0.3729 0.3729 0.3790 0.3790 2.5589 2.5589 2.6037 2.6037 5.0921 5.0921 5.1485 5.1485 5.9279 5.9279 5.9439 5.9439 6.3790 6.3790 6.4226 6.4226 6.8360 6.8360 6.8507 6.8507 7.3076 7.3076 7.3160 7.3160 8.3927 8.3927 8.4223 8.4223 10.6630 10.6630 10.6762 10.6762 11.2937 11.2937 11.3346 11.3346 13.6172 13.6172 13.6794 13.6794 k = 0.3000-0.0000 0.2351 ( 3106 PWs) bands (ev): 0.4618 0.4618 0.4684 0.4684 2.5810 2.5810 2.6270 2.6270 5.0993 5.0993 5.1407 5.1407 5.8960 5.8960 5.9551 5.9551 6.3808 6.3808 6.4723 6.4723 6.8250 6.8250 6.8436 6.8436 7.3158 7.3158 7.3568 7.3568 8.4063 8.4063 8.4504 8.4504 10.6362 10.6362 10.6656 10.6656 11.2507 11.2507 11.3085 11.3085 13.4470 13.4470 13.5094 13.5094 k = 0.3091-0.0000 0.2351 ( 3108 PWs) bands (ev): 0.5528 0.5528 0.5599 0.5599 2.6021 2.6021 2.6491 2.6491 5.1065 5.1065 5.1314 5.1314 5.8524 5.8524 5.9462 5.9462 6.3872 6.3872 6.5148 6.5148 6.8200 6.8200 6.8435 6.8435 7.3350 7.3350 7.4065 7.4065 8.4193 8.4193 8.4787 8.4787 10.6027 10.6027 10.6451 10.6451 11.2252 11.2252 11.2972 11.2972 13.2817 13.2817 13.3438 13.3438 k = 0.3182-0.0000 0.2351 ( 3104 PWs) bands (ev): 0.6458 0.6458 0.6535 0.6535 2.6222 2.6222 2.6700 2.6700 5.1138 5.1138 5.1202 5.1202 5.7984 5.7984 5.9186 5.9186 6.3981 6.3981 6.5444 6.5444 6.8251 6.8251 6.8493 6.8493 7.3654 7.3654 7.4650 7.4650 8.4316 8.4316 8.5074 8.5074 10.5655 10.5655 10.6168 10.6168 11.2149 11.2149 11.2974 11.2974 13.1215 13.1215 13.1831 13.1831 k = 0.3273-0.0000 0.2351 ( 3100 PWs) bands (ev): 0.7408 0.7408 0.7491 0.7491 2.6410 2.6410 2.6896 2.6896 5.1061 5.1061 5.1210 5.1210 5.7353 5.7353 5.8763 5.8763 6.4117 6.4117 6.5582 6.5582 6.8423 6.8423 6.8598 6.8598 7.4060 7.4060 7.5319 7.5319 8.4434 8.4434 8.5368 8.5368 10.5274 10.5274 10.5836 10.5836 11.2164 11.2164 11.3060 11.3060 12.9667 12.9667 13.0275 13.0275 k = 0.3364-0.0000 0.2351 ( 3096 PWs) bands (ev): 0.8376 0.8376 0.8466 0.8466 2.6586 2.6586 2.7077 2.7077 5.0882 5.0882 5.1279 5.1279 5.6648 5.6648 5.8245 5.8245 6.4257 6.4257 6.5581 6.5581 6.8693 6.8693 6.8740 6.8740 7.4558 7.4558 7.6063 7.6063 8.4547 8.4547 8.5671 8.5671 10.4902 10.4902 10.5482 10.5482 11.2266 11.2266 11.3204 11.3204 12.8176 12.8176 12.8772 12.8772 k = 0.3455-0.0000 0.2351 ( 3092 PWs) bands (ev): 0.9361 0.9361 0.9458 0.9458 2.6750 2.6750 2.7242 2.7242 5.0648 5.0648 5.1336 5.1336 5.5886 5.5886 5.7681 5.7681 6.4383 6.4383 6.5489 6.5489 6.8912 6.8912 6.9018 6.9018 7.5128 7.5128 7.6869 7.6869 8.4658 8.4658 8.5986 8.5986 10.4555 10.4555 10.5127 10.5127 11.2428 11.2428 11.3390 11.3390 12.6744 12.6744 12.7326 12.7326 k = 0.3545-0.0000 0.2351 ( 3084 PWs) bands (ev): 1.0362 1.0362 1.0467 1.0467 2.6899 2.6899 2.7391 2.7391 5.0341 5.0341 5.1364 5.1364 5.5094 5.5094 5.7114 5.7114 6.4489 6.4489 6.5346 6.5346 6.9106 6.9106 6.9361 6.9361 7.5750 7.5750 7.7723 7.7723 8.4768 8.4768 8.6319 8.6319 10.4239 10.4239 10.4784 10.4784 11.2633 11.2633 11.3604 11.3604 12.5374 12.5374 12.5938 12.5938 k = 0.3636-0.0000 0.2351 ( 3086 PWs) bands (ev): 1.1377 1.1377 1.1490 1.1490 2.7034 2.7034 2.7523 2.7523 4.9942 4.9942 5.1327 5.1327 5.4320 5.4320 5.6584 5.6584 6.4570 6.4570 6.5180 6.5180 6.9318 6.9318 6.9702 6.9702 7.6401 7.6401 7.8607 7.8607 8.4882 8.4882 8.6673 8.6673 10.3957 10.3957 10.4459 10.4459 11.2866 11.2866 11.3837 11.3837 12.4068 12.4068 12.4612 12.4612 k = 0.3727-0.0000 0.2351 ( 3082 PWs) bands (ev): 1.2404 1.2404 1.2526 1.2526 2.7155 2.7155 2.7637 2.7637 4.9434 4.9434 5.1145 5.1145 5.3651 5.3651 5.6120 5.6120 6.4629 6.4629 6.5007 6.5007 6.9542 6.9542 7.0032 7.0032 7.7059 7.7059 7.9501 7.9501 8.5008 8.5008 8.7053 8.7053 10.3711 10.3711 10.4155 10.4155 11.3119 11.3119 11.4081 11.4081 12.2829 12.2829 12.3349 12.3349 k = 0.3818-0.0000 0.2351 ( 3080 PWs) bands (ev): 1.3441 1.3441 1.3573 1.3573 2.7259 2.7259 2.7731 2.7731 4.8814 4.8814 5.0713 5.0713 5.3203 5.3203 5.5739 5.5739 6.4670 6.4670 6.4835 6.4835 6.9772 6.9772 7.0346 7.0346 7.7703 7.7703 8.0381 8.0381 8.5157 8.5157 8.7464 8.7464 10.3499 10.3499 10.3873 10.3873 11.3385 11.3385 11.4331 11.4331 12.1660 12.1660 12.2153 12.2153 k = 0.3909-0.0000 0.2351 ( 3076 PWs) bands (ev): 1.4486 1.4486 1.4628 1.4628 2.7348 2.7348 2.7805 2.7805 4.8087 4.8087 5.0010 5.0010 5.3005 5.3005 5.5445 5.5445 6.4672 6.4672 6.4696 6.4696 7.0005 7.0005 7.0643 7.0643 7.8315 7.8315 8.1216 8.1216 8.5348 8.5348 8.7909 8.7909 10.3319 10.3319 10.3609 10.3609 11.3660 11.3660 11.4584 11.4584 12.0562 12.0562 12.1026 12.1026 k = 0.4000-0.0000 0.2351 ( 3072 PWs) bands (ev): 1.5535 1.5535 1.5689 1.5689 2.7420 2.7420 2.7856 2.7856 4.7270 4.7270 4.9135 4.9135 5.2968 5.2968 5.5230 5.5230 6.4519 6.4519 6.4712 6.4712 7.0236 7.0236 7.0922 7.0922 7.8880 7.8880 8.1966 8.1966 8.5609 8.5609 8.8389 8.8389 10.3167 10.3167 10.3362 10.3362 11.3939 11.3939 11.4834 11.4834 11.9540 11.9540 11.9974 11.9974 k = 0.4091-0.0000 0.2351 ( 3078 PWs) bands (ev): 1.6585 1.6585 1.6750 1.6750 2.7473 2.7473 2.7883 2.7883 4.6387 4.6387 4.8180 4.8180 5.3010 5.3010 5.5080 5.5080 6.4379 6.4379 6.4720 6.4720 7.0461 7.0461 7.1182 7.1182 7.9387 7.9387 8.2587 8.2587 8.5972 8.5972 8.8902 8.8902 10.3040 10.3040 10.3129 10.3129 11.4220 11.4220 11.5076 11.5076 11.8594 11.8594 11.9001 11.9001 k = 0.4182-0.0000 0.2351 ( 3082 PWs) bands (ev): 1.7631 1.7631 1.7808 1.7808 2.7506 2.7506 2.7884 2.7884 4.5460 4.5460 4.7196 4.7196 5.3089 5.3089 5.4982 5.4982 6.4252 6.4252 6.4724 6.4724 7.0677 7.0677 7.1423 7.1423 7.9832 7.9832 8.3052 8.3052 8.6454 8.6454 8.9443 8.9443 10.2905 10.2905 10.2935 10.2935 11.4498 11.4498 11.5299 11.5299 11.7729 11.7729 11.8119 11.8119 k = 0.4273-0.0000 0.2351 ( 3078 PWs) bands (ev): 1.8668 1.8668 1.8857 1.8857 2.7516 2.7516 2.7853 2.7853 4.4515 4.4515 4.6217 4.6217 5.3183 5.3183 5.4921 5.4921 6.4140 6.4140 6.4725 6.4725 7.0881 7.0881 7.1643 7.1643 8.0212 8.0212 8.3367 8.3367 8.7037 8.7037 9.0002 9.0002 10.2690 10.2690 10.2847 10.2847 11.4770 11.4770 11.5478 11.5478 11.6948 11.6948 11.7354 11.7354 k = 0.4364-0.0000 0.2351 ( 3086 PWs) bands (ev): 1.9691 1.9691 1.9889 1.9889 2.7499 2.7499 2.7786 2.7786 4.3576 4.3576 4.5268 4.5268 5.3281 5.3281 5.4886 5.4886 6.4042 6.4042 6.4725 6.4725 7.1068 7.1068 7.1842 7.1842 8.0528 8.0528 8.3566 8.3566 8.7674 8.7674 9.0565 9.0565 10.2482 10.2482 10.2774 10.2774 11.5029 11.5029 11.5534 11.5534 11.6253 11.6253 11.6783 11.6783 k = 0.4455-0.0000 0.2351 ( 3080 PWs) bands (ev): 2.0690 2.0690 2.0896 2.0896 2.7452 2.7452 2.7678 2.7678 4.2667 4.2667 4.4370 4.4370 5.3376 5.3376 5.4870 5.4870 6.3959 6.3959 6.4725 6.4725 7.1238 7.1238 7.2017 7.2017 8.0786 8.0786 8.3688 8.3688 8.8314 8.8314 9.1116 9.1116 10.2281 10.2281 10.2714 10.2714 11.5259 11.5259 11.5324 11.5324 11.5660 11.5660 11.6553 11.6553 k = 0.4545-0.0000 0.2351 ( 3080 PWs) bands (ev): 2.1658 2.1658 2.1864 2.1864 2.7365 2.7365 2.7519 2.7519 4.1815 4.1815 4.3547 4.3547 5.3464 5.3464 5.4866 5.4866 6.3889 6.3889 6.4726 6.4726 7.1386 7.1386 7.2169 7.2169 8.0991 8.0991 8.3760 8.3760 8.8918 8.8918 9.1636 9.1636 10.2090 10.2090 10.2664 10.2664 11.4915 11.4915 11.5088 11.5088 11.5536 11.5536 11.6592 11.6592 k = 0.4636-0.0000 0.2351 ( 3082 PWs) bands (ev): 2.2583 2.2583 2.2781 2.2781 2.7232 2.7232 2.7301 2.7301 4.1049 4.1049 4.2823 4.2823 5.3539 5.3539 5.4868 5.4868 6.3833 6.3833 6.4726 6.4726 7.1511 7.1511 7.2295 7.2295 8.1148 8.1148 8.3802 8.3802 8.9454 8.9454 9.2104 9.2104 10.1915 10.1915 10.2622 10.2622 11.4498 11.4498 11.4671 11.4671 11.5722 11.5722 11.6711 11.6711 k = 0.4727-0.0000 0.2351 ( 3090 PWs) bands (ev): 2.3454 2.3454 2.3627 2.3627 2.7014 2.7014 2.7043 2.7043 4.0401 4.0401 4.2224 4.2224 5.3600 5.3600 5.4873 5.4873 6.3791 6.3791 6.4727 6.4727 7.1610 7.1610 7.2395 7.2395 8.1264 8.1264 8.3824 8.3824 8.9897 8.9897 9.2499 9.2499 10.1763 10.1763 10.2590 10.2590 11.4145 11.4145 11.4338 11.4338 11.5884 11.5884 11.6834 11.6834 k = 0.4818-0.0000 0.2351 ( 3092 PWs) bands (ev): 2.4258 2.4258 2.4376 2.4376 2.6647 2.6647 2.6795 2.6795 3.9904 3.9904 4.1774 4.1774 5.3645 5.3645 5.4879 5.4879 6.3760 6.3760 6.4728 6.4728 7.1683 7.1683 7.2467 7.2467 8.1343 8.1343 8.3835 8.3835 9.0228 9.0228 9.2800 9.2800 10.1644 10.1644 10.2566 10.2566 11.3883 11.3883 11.4097 11.4097 11.6006 11.6006 11.6935 11.6935 k = 0.4909-0.0000 0.2351 ( 3092 PWs) bands (ev): 2.4975 2.4975 2.4980 2.4980 2.6197 2.6197 2.6511 2.6511 3.9591 3.9591 4.1494 4.1494 5.3673 5.3673 5.4883 5.4883 6.3742 6.3742 6.4729 6.4729 7.1727 7.1727 7.2511 7.2511 8.1389 8.1389 8.3840 8.3840 9.0433 9.0433 9.2990 9.2990 10.1567 10.1567 10.2551 10.2551 11.3723 11.3723 11.3952 11.3952 11.6083 11.6083 11.7000 11.7000 k = 0.5000-0.0000 0.2351 ( 3096 PWs) bands (ev): 2.5250 2.5250 2.5510 2.5510 2.5759 2.5759 2.6343 2.6343 3.9484 3.9484 4.1399 4.1399 5.3682 5.3682 5.4884 5.4884 6.3736 6.3736 6.4729 6.4729 7.1742 7.1742 7.2525 7.2525 8.1404 8.1404 8.3841 8.3841 9.0502 9.0502 9.3054 9.3054 10.1541 10.1541 10.2546 10.2546 11.3668 11.3668 11.3904 11.3904 11.6109 11.6109 11.7022 11.7022 k = 0.5000-0.0000 0.2351 ( 3096 PWs) bands (ev): 2.5250 2.5250 2.5510 2.5510 2.5759 2.5759 2.6343 2.6343 3.9484 3.9484 4.1399 4.1399 5.3682 5.3682 5.4884 5.4884 6.3736 6.3736 6.4729 6.4729 7.1742 7.1742 7.2525 7.2525 8.1404 8.1404 8.3841 8.3841 9.0502 9.0502 9.3054 9.3054 10.1541 10.1541 10.2546 10.2546 11.3668 11.3668 11.3904 11.3904 11.6109 11.6109 11.7022 11.7022 k = 0.5000 0.0090 0.2351 ( 3096 PWs) bands (ev): 2.5065 2.5065 2.5141 2.5141 2.6136 2.6136 2.6536 2.6536 3.9503 3.9503 4.1416 4.1416 5.3687 5.3687 5.4889 5.4889 6.3714 6.3714 6.4703 6.4703 7.1737 7.1737 7.2513 7.2513 8.1391 8.1391 8.3812 8.3812 9.0443 9.0443 9.2974 9.2974 10.1561 10.1561 10.2578 10.2578 11.3615 11.3615 11.3835 11.3835 11.6276 11.6276 11.7138 11.7138 k = 0.5000 0.0180 0.2351 ( 3096 PWs) bands (ev): 2.4681 2.4681 2.4689 2.4689 2.6622 2.6622 2.6938 2.6938 3.9558 3.9558 4.1469 4.1469 5.3703 5.3703 5.4903 5.4903 6.3646 6.3646 6.4624 6.4624 7.1723 7.1723 7.2477 7.2477 8.1350 8.1350 8.3727 8.3727 9.0270 9.0270 9.2736 9.2736 10.1620 10.1620 10.2670 10.2670 11.3477 11.3477 11.3681 11.3681 11.6726 11.6726 11.7463 11.7463 k = 0.5000 0.0270 0.2351 ( 3088 PWs) bands (ev): 2.4226 2.4226 2.4264 2.4264 2.7120 2.7120 2.7404 2.7404 3.9649 3.9649 4.1556 4.1556 5.3730 5.3730 5.4926 5.4926 6.3533 6.3533 6.4493 6.4493 7.1699 7.1699 7.2420 7.2420 8.1284 8.1284 8.3589 8.3589 8.9991 8.9991 9.2352 9.2352 10.1715 10.1715 10.2815 10.2815 11.3299 11.3299 11.3516 11.3516 11.7372 11.7372 11.7953 11.7953 k = 0.5000 0.0360 0.2351 ( 3084 PWs) bands (ev): 2.3781 2.3781 2.3831 2.3831 2.7625 2.7625 2.7896 2.7896 3.9776 3.9776 4.1677 4.1677 5.3768 5.3768 5.4958 5.4958 6.3374 6.3374 6.4313 6.4313 7.1665 7.1665 7.2342 7.2342 8.1194 8.1194 8.3401 8.3401 8.9615 8.9615 9.1839 9.1839 10.1840 10.1840 10.2999 10.2999 11.3122 11.3122 11.3381 11.3381 11.8162 11.8162 11.8571 11.8571 k = 0.5000 0.0450 0.2351 ( 3088 PWs) bands (ev): 2.3347 2.3347 2.3402 2.3402 2.8136 2.8136 2.8401 2.8401 3.9938 3.9938 4.1830 4.1830 5.3818 5.3818 5.4998 5.4998 6.3169 6.3169 6.4086 6.4086 7.1621 7.1621 7.2248 7.2248 8.1082 8.1082 8.3169 8.3169 8.9154 8.9154 9.1213 9.1213 10.1992 10.1992 10.3208 10.3208 11.2972 11.2972 11.3291 11.3291 11.9064 11.9064 11.9293 11.9293 k = 0.5000 0.0540 0.2351 ( 3084 PWs) bands (ev): 2.2926 2.2926 2.2981 2.2981 2.8651 2.8651 2.8913 2.8913 4.0135 4.0135 4.2015 4.2015 5.3880 5.3880 5.5045 5.5045 6.2919 6.2919 6.3815 6.3815 7.1566 7.1566 7.2140 7.2140 8.0950 8.0950 8.2899 8.2899 8.8621 8.8621 9.0495 9.0495 10.2166 10.2166 10.3431 10.3431 11.2864 11.2864 11.3248 11.3248 12.0060 12.0060 12.0103 12.0103 k = 0.5000 0.0630 0.2351 ( 3080 PWs) bands (ev): 2.2519 2.2519 2.2571 2.2571 2.9170 2.9170 2.9429 2.9429 4.0364 4.0364 4.2228 4.2228 5.3954 5.3954 5.5097 5.5097 6.2624 6.2624 6.3505 6.3505 7.1499 7.1499 7.2023 7.2023 8.0800 8.0800 8.2598 8.2598 8.8027 8.8027 8.9702 8.9702 10.2357 10.2357 10.3655 10.3655 11.2806 11.2806 11.3251 11.3251 12.0992 12.0992 12.1133 12.1133 k = 0.5000 0.0720 0.2351 ( 3080 PWs) bands (ev): 2.2125 2.2125 2.2175 2.2175 2.9691 2.9691 2.9948 2.9948 4.0625 4.0625 4.2468 4.2468 5.4042 5.4042 5.5152 5.5152 6.2287 6.2287 6.3163 6.3163 7.1420 7.1420 7.1899 7.1899 8.0636 8.0636 8.2273 8.2273 8.7382 8.7382 8.8852 8.8852 10.2561 10.2561 10.3874 10.3874 11.2801 11.2801 11.3296 11.3296 12.1953 12.1953 12.2270 12.2270 k = 0.5000 0.0810 0.2351 ( 3080 PWs) bands (ev): 2.1747 2.1747 2.1793 2.1793 3.0213 3.0213 3.0467 3.0467 4.0916 4.0916 4.2731 4.2731 5.4143 5.4143 5.5207 5.5207 6.1909 6.1909 6.2795 6.2795 7.1327 7.1327 7.1771 7.1771 8.0458 8.0458 8.1930 8.1930 8.6697 8.6697 8.7958 8.7958 10.2774 10.2774 10.4082 10.4082 11.2849 11.2849 11.3381 11.3381 12.2979 12.2979 12.3460 12.3460 k = 0.5000 0.0900 0.2351 ( 3080 PWs) bands (ev): 2.1385 2.1385 2.1427 2.1427 3.0737 3.0737 3.0986 3.0986 4.1235 4.1235 4.3016 4.3016 5.4257 5.4257 5.5256 5.5256 6.1496 6.1496 6.2413 6.2413 7.1219 7.1219 7.1642 7.1642 8.0268 8.0268 8.1576 8.1576 8.5981 8.5981 8.7035 8.7035 10.2994 10.2994 10.4277 10.4277 11.2947 11.2947 11.3501 11.3501 12.4063 12.4063 12.4691 12.4691 k = 0.5000 0.0990 0.2351 ( 3076 PWs) bands (ev): 2.1038 2.1038 2.1077 2.1077 3.1260 3.1260 3.1502 3.1502 4.1580 4.1580 4.3318 4.3318 5.4383 5.4383 5.5293 5.5293 6.1053 6.1053 6.2027 6.2027 7.1093 7.1093 7.1513 7.1513 8.0066 8.0066 8.1216 8.1216 8.5242 8.5242 8.6097 8.6097 10.3216 10.3216 10.4457 10.4457 11.3094 11.3094 11.3655 11.3655 12.5197 12.5197 12.5950 12.5950 k = 0.5000 0.1081 0.2351 ( 3076 PWs) bands (ev): 2.0709 2.0709 2.0743 2.0743 3.1781 3.1781 3.2015 3.2015 4.1949 4.1949 4.3633 4.3633 5.4520 5.4520 5.5307 5.5307 6.0588 6.0588 6.1654 6.1654 7.0946 7.0946 7.1385 7.1385 7.9852 7.9852 8.0854 8.0854 8.4492 8.4492 8.5155 8.5155 10.3437 10.3437 10.4622 10.4622 11.3283 11.3283 11.3840 11.3840 12.6372 12.6372 12.7225 12.7225 k = 0.5000 0.1171 0.2351 ( 3076 PWs) bands (ev): 2.0397 2.0397 2.0428 2.0428 3.2300 3.2300 3.2523 3.2523 4.2338 4.2338 4.3959 4.3959 5.4662 5.4662 5.5287 5.5287 6.0113 6.0113 6.1311 6.1311 7.0776 7.0776 7.1256 7.1256 7.9623 7.9623 8.0493 8.0493 8.3740 8.3740 8.4225 8.4225 10.3655 10.3655 10.4773 10.4773 11.3511 11.3511 11.4053 11.4053 12.7576 12.7576 12.8503 12.8503 k = 0.5000 0.1261 0.2351 ( 3072 PWs) bands (ev): 2.0103 2.0103 2.0130 2.0130 3.2814 3.2814 3.3025 3.3025 4.2746 4.2746 4.4291 4.4291 5.4799 5.4799 5.5217 5.5217 5.9645 5.9645 6.1022 6.1022 7.0579 7.0579 7.1124 7.1124 7.9377 7.9377 8.0136 8.0136 8.2996 8.2996 8.3321 8.3321 10.3867 10.3867 10.4910 10.4910 11.3773 11.3773 11.4291 11.4291 12.8797 12.8797 12.9767 12.9767 k = 0.5000 0.1351 0.2351 ( 3072 PWs) bands (ev): 1.9828 1.9828 1.9852 1.9852 3.3323 3.3323 3.3518 3.3518 4.3169 4.3169 4.4625 4.4625 5.4912 5.4912 5.5081 5.5081 5.9211 5.9211 6.0807 6.0807 7.0350 7.0350 7.0985 7.0985 7.9105 7.9105 7.9783 7.9783 8.2274 8.2274 8.2462 8.2462 10.4070 10.4070 10.5034 10.5034 11.4064 11.4064 11.4551 11.4551 13.0020 13.0020 13.0999 13.0999 k = 0.5000 0.1441 0.2351 ( 3080 PWs) bands (ev): 1.9571 1.9571 1.9592 1.9592 3.3822 3.3822 3.4000 3.4000 4.3605 4.3605 4.4959 4.4959 5.4869 5.4869 5.4974 5.4974 5.8846 5.8846 6.0683 6.0683 7.0085 7.0085 7.0832 7.0832 7.8797 7.8797 7.9433 7.9433 8.1586 8.1586 8.1672 8.1672 10.4263 10.4263 10.5145 10.5145 11.4377 11.4377 11.4830 11.4830 13.1226 13.1226 13.2178 13.2178 k = 0.5000 0.1531 0.2351 ( 3084 PWs) bands (ev): 1.9334 1.9334 1.9352 1.9352 3.4311 3.4311 3.4470 3.4470 4.4051 4.4051 4.5289 4.5289 5.4577 5.4577 5.4941 5.4941 5.8599 5.8599 6.0663 6.0663 6.9778 6.9778 7.0660 7.0660 7.8442 7.8442 7.9082 7.9082 8.0948 8.0948 8.0976 8.0976 10.4445 10.4445 10.5243 10.5243 11.4708 11.4708 11.5124 11.5124 13.2392 13.2392 13.3278 13.3278 k = 0.5000 0.1621 0.2351 ( 3084 PWs) bands (ev): 1.9116 1.9116 1.9131 1.9131 3.4785 3.4785 3.4924 3.4924 4.4505 4.4505 4.5614 4.5614 5.4209 5.4209 5.4777 5.4777 5.8513 5.8513 6.0745 6.0745 6.9427 6.9427 7.0457 7.0457 7.8032 7.8032 7.8725 7.8725 8.0375 8.0375 8.0395 8.0395 10.4614 10.4614 10.5330 10.5330 11.5050 11.5050 11.5427 11.5427 13.3488 13.3488 13.4271 13.4271 k = 0.5000 0.1711 0.2351 ( 3088 PWs) bands (ev): 1.8917 1.8917 1.8931 1.8931 3.5240 3.5240 3.5358 3.5358 4.4966 4.4966 4.5934 4.5934 5.3780 5.3780 5.4474 5.4474 5.8603 5.8603 6.0923 6.0923 6.9028 6.9028 7.0212 7.0212 7.7581 7.7581 7.8357 7.8357 7.9883 7.9883 7.9933 7.9933 10.4770 10.4770 10.5404 10.5404 11.5397 11.5397 11.5734 11.5734 13.4482 13.4482 13.5131 13.5131 k = 0.5000 0.1801 0.2351 ( 3088 PWs) bands (ev): 1.8740 1.8740 1.8751 1.8751 3.5672 3.5672 3.5769 3.5769 4.5431 4.5431 4.6247 4.6247 5.3304 5.3304 5.4058 5.4058 5.8844 5.8844 6.1186 6.1186 6.8580 6.8580 6.9916 6.9916 7.7121 7.7121 7.7979 7.7979 7.9479 7.9479 7.9573 7.9573 10.4912 10.4912 10.5467 10.5467 11.5741 11.5741 11.6038 11.6038 13.5338 13.5338 13.5837 13.5837 k = 0.5000 0.1891 0.2351 ( 3096 PWs) bands (ev): 1.8582 1.8582 1.8592 1.8592 3.6076 3.6076 3.6152 3.6152 4.5899 4.5899 4.6557 4.6557 5.2799 5.2799 5.3568 5.3568 5.9205 5.9205 6.1523 6.1523 6.8083 6.8083 6.9557 6.9557 7.6693 7.6693 7.7599 7.7599 7.9157 7.9157 7.9290 7.9290 10.5040 10.5040 10.5519 10.5519 11.6074 11.6074 11.6332 11.6332 13.6029 13.6029 13.6382 13.6382 k = 0.5000 0.1981 0.2351 ( 3092 PWs) bands (ev): 1.8445 1.8445 1.8454 1.8454 3.6445 3.6445 3.6502 3.6502 4.6369 4.6369 4.6866 4.6866 5.2279 5.2279 5.3034 5.3034 5.9654 5.9654 6.1922 6.1922 6.7543 6.7543 6.9131 6.9131 7.6327 7.6327 7.7231 7.7231 7.8907 7.8907 7.9063 7.9063 10.5154 10.5154 10.5559 10.5559 11.6389 11.6389 11.6609 11.6609 13.6545 13.6545 13.6774 13.6774 k = 0.5000 0.2071 0.2351 ( 3096 PWs) bands (ev): 1.8329 1.8329 1.8336 1.8336 3.6772 3.6772 3.6813 3.6813 4.6840 4.6840 4.7176 4.7176 5.1759 5.1759 5.2480 5.2480 6.0170 6.0170 6.2369 6.2369 6.6969 6.6969 6.8641 6.8641 7.6041 7.6041 7.6889 7.6889 7.8718 7.8718 7.8878 7.8878 10.5255 10.5255 10.5588 10.5588 11.6677 11.6677 11.6859 11.6859 13.6898 13.6898 13.7035 13.7035 k = 0.5000 0.2161 0.2351 ( 3100 PWs) bands (ev): 1.8234 1.8234 1.8240 1.8240 3.7051 3.7051 3.7078 3.7078 4.7309 4.7309 4.7491 4.7491 5.1252 5.1252 5.1922 5.1922 6.0736 6.0736 6.2848 6.2848 6.6377 6.6377 6.8094 6.8094 7.5839 7.5839 7.6581 7.6581 7.8578 7.8578 7.8726 7.8726 10.5342 10.5342 10.5606 10.5606 11.6930 11.6930 11.7074 11.7074 13.7118 13.7118 13.7195 13.7195 k = 0.5000 0.2251 0.2351 ( 3112 PWs) bands (ev): 1.8160 1.8160 1.8165 1.8165 3.7277 3.7277 3.7293 3.7293 4.7767 4.7767 4.7811 4.7811 5.0777 5.0777 5.1374 5.1374 6.1340 6.1340 6.3323 6.3323 6.5803 6.5803 6.7507 6.7507 7.5719 7.5719 7.6313 7.6313 7.8481 7.8481 7.8605 7.8605 10.5417 10.5417 10.5613 10.5613 11.7140 11.7140 11.7248 11.7248 13.7243 13.7243 13.7283 13.7283 k = 0.5000 0.2341 0.2351 ( 3108 PWs) bands (ev): 1.8107 1.8107 1.8111 1.8111 3.7442 3.7442 3.7451 3.7451 4.8130 4.8130 4.8193 4.8193 5.0363 5.0363 5.0854 5.0854 6.1968 6.1968 6.3685 6.3685 6.5357 6.5357 6.6897 6.6897 7.5674 7.5674 7.6087 7.6087 7.8423 7.8423 7.8511 7.8511 10.5479 10.5479 10.5608 10.5608 11.7300 11.7300 11.7372 11.7372 13.7307 13.7307 13.7326 13.7326 k = 0.5000 0.2431 0.2351 ( 3108 PWs) bands (ev): 1.8075 1.8075 1.8079 1.8079 3.7543 3.7543 3.7547 3.7547 4.8422 4.8422 4.8520 4.8520 5.0084 5.0084 5.0396 5.0396 6.2599 6.2599 6.3651 6.3651 6.5324 6.5324 6.6290 6.6290 7.5695 7.5695 7.5907 7.5907 7.8399 7.8399 7.8445 7.8445 10.5528 10.5528 10.5593 10.5593 11.7406 11.7406 11.7442 11.7442 13.7336 13.7336 13.7343 13.7343 k = 0.5000 0.2521 0.2351 ( 3120 PWs) bands (ev): 1.8064 1.8064 1.8068 1.8068 3.7578 3.7578 3.7579 3.7579 4.8601 4.8601 4.8604 4.8604 5.0086 5.0086 5.0090 5.0090 6.3196 6.3196 6.3200 6.3200 6.5725 6.5725 6.5728 6.5728 7.5772 7.5772 7.5777 7.5777 7.8406 7.8406 7.8408 7.8408 10.5563 10.5563 10.5570 10.5570 11.7454 11.7454 11.7454 11.7454 13.7345 13.7345 13.7346 13.7346 k = 0.5000 0.2521 0.2351 ( 3120 PWs) bands (ev): 1.8064 1.8064 1.8068 1.8068 3.7578 3.7578 3.7579 3.7579 4.8601 4.8601 4.8604 4.8604 5.0086 5.0086 5.0090 5.0090 6.3196 6.3196 6.3200 6.3200 6.5725 6.5725 6.5728 6.5728 7.5772 7.5772 7.5777 7.5777 7.8406 7.8406 7.8408 7.8408 10.5563 10.5563 10.5570 10.5570 11.7454 11.7454 11.7454 11.7454 13.7345 13.7345 13.7346 13.7346 k = 0.4909 0.2521 0.2351 ( 3108 PWs) bands (ev): 1.8039 1.8039 1.8043 1.8043 3.7470 3.7470 3.7470 3.7470 4.8617 4.8617 4.8621 4.8621 5.0159 5.0159 5.0163 5.0163 6.3203 6.3203 6.3208 6.3208 6.5735 6.5735 6.5739 6.5739 7.5767 7.5767 7.5771 7.5771 7.8452 7.8452 7.8455 7.8455 10.5560 10.5560 10.5567 10.5567 11.7420 11.7420 11.7420 11.7420 13.7262 13.7262 13.7262 13.7262 k = 0.4818 0.2521 0.2351 ( 3108 PWs) bands (ev): 1.7964 1.7964 1.7968 1.7968 3.7154 3.7154 3.7155 3.7155 4.8662 4.8662 4.8665 4.8665 5.0372 5.0372 5.0376 5.0376 6.3226 6.3226 6.3230 6.3230 6.5766 6.5766 6.5770 6.5770 7.5750 7.5750 7.5755 7.5755 7.8592 7.8592 7.8595 7.8595 10.5552 10.5552 10.5559 10.5559 11.7318 11.7318 11.7318 11.7318 13.7022 13.7022 13.7023 13.7023 k = 0.4727 0.2521 0.2351 ( 3104 PWs) bands (ev): 1.7841 1.7841 1.7844 1.7844 3.6658 3.6658 3.6658 3.6658 4.8725 4.8725 4.8728 4.8728 5.0708 5.0708 5.0712 5.0712 6.3264 6.3264 6.3268 6.3268 6.5818 6.5818 6.5821 6.5821 7.5720 7.5720 7.5725 7.5725 7.8827 7.8827 7.8829 7.8829 10.5541 10.5541 10.5548 10.5548 11.7150 11.7150 11.7150 11.7150 13.6653 13.6653 13.6654 13.6654 k = 0.4636 0.2521 0.2351 ( 3096 PWs) bands (ev): 1.7669 1.7669 1.7673 1.7673 3.6013 3.6013 3.6014 3.6014 4.8800 4.8800 4.8803 4.8803 5.1139 5.1139 5.1142 5.1142 6.3318 6.3318 6.3322 6.3322 6.5889 6.5889 6.5892 6.5892 7.5675 7.5675 7.5680 7.5680 7.9156 7.9156 7.9159 7.9159 10.5530 10.5530 10.5537 10.5537 11.6917 11.6917 11.6918 11.6918 13.6188 13.6188 13.6189 13.6189 k = 0.4545 0.2521 0.2351 ( 3092 PWs) bands (ev): 1.7451 1.7451 1.7455 1.7455 3.5254 3.5254 3.5255 3.5255 4.8885 4.8885 4.8888 4.8888 5.1628 5.1628 5.1631 5.1631 6.3389 6.3389 6.3392 6.3392 6.5979 6.5979 6.5981 6.5981 7.5613 7.5613 7.5618 7.5618 7.9581 7.9581 7.9583 7.9583 10.5524 10.5524 10.5531 10.5531 11.6625 11.6625 11.6625 11.6625 13.5659 13.5659 13.5660 13.5660 k = 0.4455 0.2521 0.2351 ( 3088 PWs) bands (ev): 1.7190 1.7190 1.7193 1.7193 3.4408 3.4408 3.4410 3.4410 4.8983 4.8983 4.8985 4.8985 5.2145 5.2145 5.2148 5.2148 6.3477 6.3477 6.3479 6.3479 6.6088 6.6088 6.6091 6.6091 7.5534 7.5534 7.5538 7.5538 8.0099 8.0099 8.0100 8.0100 10.5529 10.5529 10.5536 10.5536 11.6275 11.6275 11.6275 11.6275 13.5094 13.5094 13.5095 13.5095 k = 0.4364 0.2521 0.2351 ( 3092 PWs) bands (ev): 1.6887 1.6887 1.6890 1.6890 3.3498 3.3498 3.3500 3.3500 4.9094 4.9094 4.9097 4.9097 5.2660 5.2660 5.2663 5.2663 6.3579 6.3579 6.3581 6.3581 6.6219 6.6219 6.6220 6.6220 7.5435 7.5435 7.5440 7.5440 8.0708 8.0708 8.0709 8.0709 10.5551 10.5551 10.5558 10.5558 11.5873 11.5873 11.5873 11.5873 13.4512 13.4512 13.4514 13.4514 k = 0.4273 0.2521 0.2351 ( 3092 PWs) bands (ev): 1.6546 1.6546 1.6549 1.6549 3.2542 3.2542 3.2543 3.2543 4.9222 4.9222 4.9224 4.9224 5.3153 5.3153 5.3155 5.3155 6.3694 6.3694 6.3696 6.3696 6.6371 6.6371 6.6373 6.6373 7.5318 7.5318 7.5322 7.5322 8.1405 8.1405 8.1406 8.1406 10.5598 10.5598 10.5604 10.5604 11.5423 11.5423 11.5423 11.5423 13.3931 13.3931 13.3933 13.3933 k = 0.4182 0.2521 0.2351 ( 3096 PWs) bands (ev): 1.6168 1.6168 1.6172 1.6172 3.1552 3.1552 3.1554 3.1554 4.9366 4.9366 4.9369 4.9369 5.3606 5.3606 5.3608 5.3608 6.3818 6.3818 6.3820 6.3820 6.6548 6.6548 6.6549 6.6549 7.5180 7.5180 7.5185 7.5185 8.2185 8.2185 8.2186 8.2186 10.5677 10.5677 10.5684 10.5684 11.4930 11.4930 11.4931 11.4931 13.3362 13.3362 13.3363 13.3363 k = 0.4091 0.2521 0.2351 ( 3096 PWs) bands (ev): 1.5759 1.5759 1.5762 1.5762 3.0540 3.0540 3.0541 3.0541 4.9529 4.9529 4.9531 4.9531 5.4008 5.4008 5.4009 5.4009 6.3946 6.3946 6.3947 6.3947 6.6751 6.6751 6.6752 6.6752 7.5023 7.5023 7.5028 7.5028 8.3043 8.3043 8.3044 8.3044 10.5798 10.5798 10.5804 10.5804 11.4400 11.4400 11.4401 11.4401 13.2812 13.2812 13.2814 13.2814 k = 0.4000 0.2521 0.2351 ( 3096 PWs) bands (ev): 1.5320 1.5320 1.5323 1.5323 2.9513 2.9513 2.9514 2.9514 4.9711 4.9711 4.9713 4.9713 5.4350 5.4350 5.4352 5.4352 6.4073 6.4073 6.4074 6.4074 6.6981 6.6981 6.6982 6.6982 7.4847 7.4847 7.4852 7.4852 8.3974 8.3974 8.3975 8.3975 10.5967 10.5967 10.5973 10.5973 11.3838 11.3838 11.3839 11.3839 13.2289 13.2289 13.2290 13.2290 k = 0.3909 0.2521 0.2351 ( 3100 PWs) bands (ev): 1.4855 1.4855 1.4858 1.4858 2.8477 2.8477 2.8479 2.8479 4.9912 4.9912 4.9914 4.9914 5.4629 5.4629 5.4631 5.4631 6.4194 6.4194 6.4196 6.4196 6.7235 6.7235 6.7236 6.7236 7.4653 7.4653 7.4657 7.4657 8.4972 8.4972 8.4972 8.4972 10.6191 10.6191 10.6197 10.6197 11.3251 11.3251 11.3252 11.3252 13.1796 13.1796 13.1797 13.1797 k = 0.3818 0.2521 0.2351 ( 3108 PWs) bands (ev): 1.4367 1.4367 1.4370 1.4370 2.7439 2.7439 2.7440 2.7440 5.0131 5.0131 5.0133 5.0133 5.4844 5.4844 5.4846 5.4846 6.4308 6.4308 6.4309 6.4309 6.7509 6.7509 6.7510 6.7510 7.4442 7.4442 7.4446 7.4446 8.6030 8.6030 8.6030 8.6030 10.6475 10.6475 10.6481 10.6481 11.2646 11.2646 11.2647 11.2647 13.1338 13.1338 13.1339 13.1339 k = 0.3727 0.2521 0.2351 ( 3112 PWs) bands (ev): 1.3859 1.3859 1.3862 1.3862 2.6401 2.6401 2.6403 2.6403 5.0370 5.0370 5.0372 5.0372 5.4996 5.4996 5.4998 5.4998 6.4411 6.4411 6.4412 6.4412 6.7797 6.7797 6.7799 6.7799 7.4216 7.4216 7.4220 7.4220 8.7141 8.7141 8.7141 8.7141 10.6822 10.6822 10.6827 10.6827 11.2030 11.2030 11.2031 11.2031 13.0916 13.0916 13.0918 13.0918 k = 0.3636 0.2521 0.2351 ( 3108 PWs) bands (ev): 1.3335 1.3335 1.3338 1.3338 2.5368 2.5368 2.5370 2.5370 5.0625 5.0625 5.0628 5.0628 5.5089 5.5089 5.5091 5.5091 6.4503 6.4503 6.4504 6.4504 6.8092 6.8092 6.8093 6.8093 7.3979 7.3979 7.3984 7.3984 8.8297 8.8297 8.8298 8.8298 10.7228 10.7228 10.7233 10.7233 11.1418 11.1418 11.1419 11.1419 13.0535 13.0535 13.0537 13.0537 k = 0.3545 0.2521 0.2351 ( 3112 PWs) bands (ev): 1.2797 1.2797 1.2800 1.2800 2.4342 2.4342 2.4344 2.4344 5.0897 5.0897 5.0899 5.0899 5.5126 5.5126 5.5129 5.5129 6.4582 6.4582 6.4583 6.4583 6.8384 6.8384 6.8386 6.8386 7.3736 7.3736 7.3741 7.3741 8.9490 8.9490 8.9491 8.9491 10.7677 10.7677 10.7681 10.7681 11.0831 11.0831 11.0832 11.0832 13.0197 13.0197 13.0199 13.0199 k = 0.3455 0.2521 0.2351 ( 3120 PWs) bands (ev): 1.2249 1.2249 1.2252 1.2252 2.3326 2.3326 2.3328 2.3328 5.1182 5.1182 5.1185 5.1185 5.5115 5.5115 5.5118 5.5118 6.4647 6.4647 6.4649 6.4649 6.8667 6.8667 6.8669 6.8669 7.3494 7.3494 7.3499 7.3499 9.0710 9.0710 9.0711 9.0711 10.8112 10.8112 10.8116 10.8116 11.0333 11.0333 11.0335 11.0335 12.9905 12.9905 12.9907 12.9907 k = 0.3364 0.2521 0.2351 ( 3120 PWs) bands (ev): 1.1692 1.1692 1.1695 1.1695 2.2321 2.2321 2.2323 2.2323 5.1477 5.1477 5.1480 5.1480 5.5061 5.5061 5.5064 5.5064 6.4698 6.4698 6.4700 6.4700 6.8930 6.8930 6.8932 6.8932 7.3261 7.3261 7.3266 7.3266 9.1946 9.1946 9.1947 9.1947 10.8353 10.8353 10.8356 10.8356 11.0107 11.0107 11.0110 11.0110 12.9664 12.9664 12.9665 12.9665 k = 0.3273 0.2521 0.2351 ( 3124 PWs) bands (ev): 1.1130 1.1130 1.1133 1.1133 2.1330 2.1330 2.1332 2.1332 5.1776 5.1776 5.1779 5.1779 5.4975 5.4975 5.4978 5.4978 6.4732 6.4732 6.4734 6.4734 6.9164 6.9164 6.9167 6.9167 7.3049 7.3049 7.3054 7.3054 9.3182 9.3182 9.3183 9.3183 10.8177 10.8177 10.8178 10.8178 11.0381 11.0381 11.0385 11.0385 12.9478 12.9478 12.9479 12.9479 k = 0.3182 0.2521 0.2351 ( 3128 PWs) bands (ev): 1.0565 1.0565 1.0567 1.0567 2.0354 2.0354 2.0356 2.0356 5.2069 5.2069 5.2072 5.2072 5.4867 5.4867 5.4870 5.4870 6.4747 6.4747 6.4750 6.4750 6.9362 6.9362 6.9364 6.9364 7.2870 7.2870 7.2876 7.2876 9.4402 9.4402 9.4403 9.4403 10.7744 10.7744 10.7745 10.7745 11.0995 11.0995 11.0999 11.0999 12.9354 12.9354 12.9356 12.9356 k = 0.3091 0.2521 0.2351 ( 3128 PWs) bands (ev): 0.9999 0.9999 1.0001 1.0001 1.9395 1.9395 1.9397 1.9397 5.2340 5.2340 5.2343 5.2343 5.4758 5.4758 5.4761 5.4761 6.4742 6.4742 6.4745 6.4745 6.9513 6.9513 6.9515 6.9515 7.2740 7.2740 7.2746 7.2746 9.5579 9.5579 9.5580 9.5580 10.7257 10.7257 10.7258 10.7258 11.1751 11.1751 11.1755 11.1755 12.9302 12.9302 12.9304 12.9304 k = 0.3000 0.2521 0.2351 ( 3128 PWs) bands (ev): 0.9434 0.9434 0.9436 0.9436 1.8453 1.8453 1.8455 1.8455 5.2560 5.2560 5.2562 5.2562 5.4677 5.4677 5.4679 5.4679 6.4715 6.4715 6.4718 6.4718 6.9609 6.9609 6.9612 6.9612 7.2673 7.2673 7.2679 7.2679 9.6679 9.6679 9.6680 9.6680 10.6805 10.6805 10.6806 10.6806 11.2573 11.2573 11.2576 11.2576 12.9332 12.9332 12.9334 12.9334 k = 0.2909 0.2521 0.2351 ( 3136 PWs) bands (ev): 0.8871 0.8871 0.8874 0.8874 1.7530 1.7530 1.7532 1.7532 5.2687 5.2687 5.2690 5.2690 5.4666 5.4666 5.4668 5.4668 6.4665 6.4665 6.4668 6.4668 6.9650 6.9650 6.9652 6.9652 7.2677 7.2677 7.2683 7.2683 9.7655 9.7655 9.7656 9.7656 10.6443 10.6443 10.6444 10.6444 11.3419 11.3419 11.3423 11.3423 12.9458 12.9458 12.9460 12.9460 k = 0.2818 0.2521 0.2351 ( 3132 PWs) bands (ev): 0.8314 0.8314 0.8316 0.8316 1.6627 1.6627 1.6629 1.6629 5.2687 5.2687 5.2690 5.2690 5.4760 5.4760 5.4763 5.4763 6.4594 6.4594 6.4598 6.4598 6.9641 6.9641 6.9643 6.9643 7.2752 7.2752 7.2758 7.2758 9.8443 9.8443 9.8445 9.8445 10.6230 10.6230 10.6231 10.6231 11.4262 11.4262 11.4265 11.4265 12.9696 12.9696 12.9698 12.9698 k = 0.2727 0.2521 0.2351 ( 3128 PWs) bands (ev): 0.7763 0.7763 0.7765 0.7765 1.5745 1.5745 1.5747 1.5747 5.2558 5.2558 5.2562 5.2562 5.4958 5.4958 5.4962 5.4962 6.4505 6.4505 6.4509 6.4509 6.9593 6.9593 6.9595 6.9595 7.2892 7.2892 7.2897 7.2897 9.8977 9.8977 9.8979 9.8979 10.6221 10.6221 10.6221 10.6221 11.5073 11.5073 11.5076 11.5076 13.0063 13.0063 13.0065 13.0065 k = 0.2636 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.7220 0.7220 0.7222 0.7222 1.4884 1.4884 1.4887 1.4887 5.2334 5.2334 5.2338 5.2338 5.5228 5.5228 5.5233 5.5233 6.4405 6.4405 6.4408 6.4408 6.9520 6.9520 6.9523 6.9523 7.3085 7.3085 7.3090 7.3090 9.9219 9.9219 9.9221 9.9221 10.6437 10.6437 10.6437 10.6437 11.5828 11.5828 11.5831 11.5831 13.0576 13.0576 13.0578 13.0578 k = 0.2545 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.6685 0.6685 0.6688 0.6688 1.4046 1.4046 1.4049 1.4049 5.2045 5.2045 5.2048 5.2048 5.5534 5.5534 5.5539 5.5539 6.4300 6.4300 6.4304 6.4304 6.9435 6.9435 6.9438 6.9438 7.3321 7.3321 7.3326 7.3326 9.9187 9.9187 9.9189 9.9189 10.6841 10.6841 10.6841 10.6841 11.6506 11.6506 11.6510 11.6510 13.1248 13.1248 13.1250 13.1250 k = 0.2455 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.6162 0.6162 0.6164 0.6164 1.3231 1.3231 1.3234 1.3234 5.1712 5.1712 5.1716 5.1716 5.5851 5.5851 5.5856 5.5856 6.4202 6.4202 6.4206 6.4206 6.9345 6.9345 6.9349 6.9349 7.3592 7.3592 7.3597 7.3597 9.8944 9.8944 9.8946 9.8946 10.7350 10.7350 10.7350 10.7350 11.7094 11.7094 11.7098 11.7098 13.2087 13.2087 13.2089 13.2089 k = 0.2364 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.5650 0.5650 0.5652 0.5652 1.2440 1.2440 1.2442 1.2442 5.1350 5.1350 5.1354 5.1354 5.6158 5.6158 5.6164 5.6164 6.4124 6.4124 6.4128 6.4128 6.9257 6.9257 6.9260 6.9260 7.3892 7.3892 7.3897 7.3897 9.8557 9.8557 9.8559 9.8559 10.7875 10.7875 10.7876 10.7876 11.7587 11.7587 11.7590 11.7590 13.3092 13.3092 13.3094 13.3094 k = 0.2273 0.2521 0.2351 ( 3128 PWs) bands (ev): 0.5151 0.5151 0.5153 0.5153 1.1673 1.1673 1.1676 1.1676 5.0966 5.0966 5.0970 5.0970 5.6440 5.6440 5.6446 5.6446 6.4078 6.4078 6.4083 6.4083 6.9172 6.9172 6.9176 6.9176 7.4217 7.4217 7.4221 7.4221 9.8077 9.8077 9.8079 9.8079 10.8347 10.8347 10.8348 10.8348 11.7987 11.7987 11.7989 11.7989 13.4253 13.4253 13.4255 13.4255 k = 0.2182 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.4665 0.4665 0.4667 0.4667 1.0931 1.0931 1.0934 1.0934 5.0568 5.0568 5.0572 5.0572 5.6683 5.6683 5.6689 5.6689 6.4080 6.4080 6.4084 6.4084 6.9094 6.9094 6.9098 6.9098 7.4561 7.4561 7.4566 7.4566 9.7540 9.7540 9.7542 9.7542 10.8719 10.8719 10.8720 10.8720 11.8302 11.8302 11.8305 11.8305 13.5555 13.5555 13.5557 13.5557 k = 0.2091 0.2521 0.2351 ( 3112 PWs) bands (ev): 0.4195 0.4195 0.4197 0.4197 1.0216 1.0216 1.0218 1.0218 5.0161 5.0161 5.0164 5.0164 5.6877 5.6877 5.6883 5.6883 6.4139 6.4139 6.4143 6.4143 6.9024 6.9024 6.9028 6.9028 7.4924 7.4924 7.4929 7.4929 9.6966 9.6966 9.6968 9.6968 10.8961 10.8961 10.8962 10.8962 11.8546 11.8546 11.8549 11.8549 13.6976 13.6976 13.6978 13.6978 k = 0.2000 0.2521 0.2351 ( 3124 PWs) bands (ev): 0.3739 0.3739 0.3741 0.3741 0.9526 0.9526 0.9529 0.9529 4.9747 4.9747 4.9750 4.9750 5.7014 5.7014 5.7021 5.7021 6.4263 6.4263 6.4268 6.4268 6.8962 6.8962 6.8966 6.8966 7.5302 7.5302 7.5307 7.5307 9.6370 9.6370 9.6372 9.6372 10.9061 10.9061 10.9062 10.9062 11.8730 11.8730 11.8733 11.8733 13.8486 13.8486 13.8488 13.8488 k = 0.1909 0.2521 0.2351 ( 3120 PWs) bands (ev): 0.3300 0.3300 0.3302 0.3302 0.8863 0.8863 0.8866 0.8866 4.9331 4.9331 4.9334 4.9334 5.7093 5.7093 5.7099 5.7099 6.4456 6.4456 6.4460 6.4460 6.8911 6.8911 6.8915 6.8915 7.5694 7.5694 7.5699 7.5699 9.5760 9.5760 9.5762 9.5762 10.9020 10.9020 10.9021 10.9021 11.8865 11.8865 11.8868 11.8868 14.0028 14.0028 14.0029 14.0029 k = 0.1818 0.2521 0.2351 ( 3108 PWs) bands (ev): 0.2877 0.2877 0.2879 0.2879 0.8228 0.8228 0.8231 0.8231 4.8915 4.8915 4.8919 4.8919 5.7114 5.7114 5.7121 5.7121 6.4711 6.4711 6.4715 6.4715 6.8875 6.8875 6.8879 6.8879 7.6098 7.6098 7.6102 7.6102 9.5143 9.5143 9.5145 9.5145 10.8848 10.8848 10.8849 10.8849 11.8962 11.8962 11.8965 11.8965 14.1496 14.1496 14.1498 14.1498 k = 0.1727 0.2521 0.2351 ( 3112 PWs) bands (ev): 0.2472 0.2472 0.2474 0.2474 0.7620 0.7620 0.7623 0.7623 4.8504 4.8504 4.8507 4.8507 5.7086 5.7086 5.7092 5.7092 6.5020 6.5020 6.5024 6.5024 6.8857 6.8857 6.8860 6.8860 7.6511 7.6511 7.6515 7.6515 9.4522 9.4522 9.4524 9.4524 10.8559 10.8559 10.8561 10.8561 11.9028 11.9028 11.9030 11.9030 14.2949 14.2949 14.2951 14.2951 k = 0.1636 0.2521 0.2351 ( 3116 PWs) bands (ev): 0.2085 0.2085 0.2087 0.2087 0.7040 0.7040 0.7043 0.7043 4.8098 4.8098 4.8101 4.8101 5.7016 5.7016 5.7022 5.7022 6.5365 6.5365 6.5369 6.5369 6.8865 6.8865 6.8868 6.8868 7.6931 7.6931 7.6936 7.6936 9.3900 9.3900 9.3903 9.3903 10.8172 10.8172 10.8174 10.8174 11.9068 11.9068 11.9071 11.9071 14.4496 14.4497 14.4499 14.4499 k = 0.1545 0.2521 0.2351 ( 3120 PWs) bands (ev): 0.1716 0.1716 0.1718 0.1718 0.6490 0.6490 0.6493 0.6493 4.7702 4.7702 4.7705 4.7705 5.6914 5.6914 5.6920 5.6920 6.5728 6.5728 6.5732 6.5732 6.8910 6.8910 6.8913 6.8913 7.7358 7.7358 7.7363 7.7363 9.3280 9.3280 9.3282 9.3282 10.7705 10.7705 10.7707 10.7707 11.9090 11.9090 11.9092 11.9092 14.6150 14.6150 14.6152 14.6152 k = 0.1455 0.2521 0.2351 ( 3116 PWs) bands (ev): 0.1367 0.1367 0.1369 0.1369 0.5968 0.5968 0.5971 0.5971 4.7316 4.7316 4.7319 4.7319 5.6789 5.6789 5.6795 5.6795 6.6082 6.6082 6.6086 6.6086 6.9008 6.9008 6.9011 6.9011 7.7790 7.7790 7.7795 7.7795 9.2662 9.2662 9.2664 9.2664 10.7176 10.7176 10.7177 10.7177 11.9095 11.9095 11.9098 11.9098 14.7877 14.7877 14.7878 14.7878 k = 0.1364 0.2521 0.2351 ( 3108 PWs) bands (ev): 0.1037 0.1037 0.1038 0.1038 0.5476 0.5476 0.5478 0.5478 4.6944 4.6944 4.6947 4.6947 5.6648 5.6648 5.6654 5.6654 6.6402 6.6402 6.6406 6.6406 6.9176 6.9176 6.9179 6.9179 7.8224 7.8224 7.8229 7.8229 9.2048 9.2048 9.2050 9.2050 10.6599 10.6599 10.6601 10.6601 11.9090 11.9090 11.9092 11.9092 14.9563 14.9563 14.9564 14.9564 k = 0.1273 0.2521 0.2351 ( 3116 PWs) bands (ev): 0.0726 0.0726 0.0728 0.0728 0.5013 0.5013 0.5016 0.5016 4.6587 4.6587 4.6589 4.6589 5.6498 5.6498 5.6504 5.6504 6.6663 6.6663 6.6667 6.6667 6.9431 6.9431 6.9435 6.9435 7.8659 7.8659 7.8664 7.8664 9.1438 9.1438 9.1440 9.1440 10.5990 10.5990 10.5992 10.5992 11.9075 11.9075 11.9078 11.9078 15.0887 15.0887 15.0888 15.0888 k = 0.1182 0.2521 0.2351 ( 3116 PWs) bands (ev): 0.0436 0.0436 0.0438 0.0438 0.4581 0.4581 0.4584 0.4584 4.6247 4.6247 4.6249 4.6249 5.6345 5.6345 5.6351 5.6351 6.6854 6.6854 6.6859 6.6859 6.9776 6.9776 6.9780 6.9780 7.9093 7.9093 7.9098 7.9098 9.0833 9.0833 9.0836 9.0836 10.5362 10.5362 10.5363 10.5363 11.9054 11.9054 11.9057 11.9057 15.1688 15.1688 15.1689 15.1689 k = 0.1091 0.2521 0.2351 ( 3120 PWs) bands (ev): 0.0166 0.0166 0.0168 0.0168 0.4179 0.4179 0.4182 0.4182 4.5925 4.5925 4.5928 4.5928 5.6193 5.6193 5.6199 5.6199 6.6982 6.6982 6.6987 6.6987 7.0199 7.0199 7.0204 7.0204 7.9524 7.9524 7.9529 7.9529 9.0234 9.0234 9.0237 9.0237 10.4725 10.4725 10.4727 10.4727 11.9029 11.9029 11.9032 11.9032 15.2127 15.2127 15.2128 15.2128 k = 0.1000 0.2521 0.2351 ( 3120 PWs) bands (ev): -0.0083 -0.0083 -0.0081 -0.0081 0.3808 0.3808 0.3811 0.3811 4.5624 4.5624 4.5627 4.5627 5.6045 5.6045 5.6050 5.6050 6.7060 6.7060 6.7065 6.7065 7.0680 7.0680 7.0685 7.0685 7.9951 7.9951 7.9956 7.9956 8.9643 8.9643 8.9645 8.9645 10.4091 10.4091 10.4093 10.4093 11.9002 11.9002 11.9004 11.9004 15.2361 15.2361 15.2362 15.2362 k = 0.0909 0.2521 0.2351 ( 3120 PWs) bands (ev): -0.0311 -0.0311 -0.0310 -0.0310 0.3469 0.3469 0.3472 0.3472 4.5345 4.5345 4.5348 4.5348 5.5903 5.5903 5.5909 5.5909 6.7103 6.7103 6.7109 6.7109 7.1197 7.1197 7.1202 7.1202 8.0370 8.0370 8.0376 8.0376 8.9059 8.9059 8.9062 8.9062 10.3470 10.3470 10.3472 10.3472 11.8973 11.8973 11.8975 11.8975 15.2483 15.2483 15.2484 15.2484 k = 0.0818 0.2521 0.2351 ( 3104 PWs) bands (ev): -0.0518 -0.0518 -0.0517 -0.0517 0.3161 0.3161 0.3164 0.3164 4.5089 4.5089 4.5091 4.5091 5.5771 5.5771 5.5776 5.5776 6.7124 6.7124 6.7129 6.7129 7.1731 7.1731 7.1737 7.1737 8.0782 8.0782 8.0787 8.0787 8.8484 8.8484 8.8487 8.8487 10.2871 10.2871 10.2873 10.2873 11.8944 11.8944 11.8946 11.8946 15.2544 15.2544 15.2545 15.2545 k = 0.0727 0.2521 0.2351 ( 3104 PWs) bands (ev): -0.0704 -0.0704 -0.0702 -0.0702 0.2884 0.2884 0.2887 0.2887 4.4857 4.4857 4.4859 4.4859 5.5649 5.5649 5.5654 5.5654 6.7130 6.7130 6.7135 6.7135 7.2267 7.2267 7.2273 7.2273 8.1183 8.1183 8.1189 8.1189 8.7921 8.7921 8.7924 8.7924 10.2302 10.2302 10.2304 10.2304 11.8916 11.8916 11.8918 11.8918 15.2571 15.2571 15.2573 15.2573 k = 0.0636 0.2521 0.2351 ( 3108 PWs) bands (ev): -0.0868 -0.0868 -0.0867 -0.0867 0.2640 0.2640 0.2643 0.2643 4.4649 4.4649 4.4652 4.4652 5.5539 5.5539 5.5544 5.5544 6.7128 6.7128 6.7133 6.7133 7.2790 7.2790 7.2796 7.2796 8.1573 8.1573 8.1578 8.1578 8.7370 8.7370 8.7374 8.7374 10.1773 10.1773 10.1775 10.1775 11.8890 11.8890 11.8892 11.8892 15.2579 15.2579 15.2581 15.2581 k = 0.0545 0.2521 0.2351 ( 3108 PWs) bands (ev): -0.1011 -0.1011 -0.1009 -0.1009 0.2428 0.2428 0.2431 0.2431 4.4468 4.4468 4.4471 4.4471 5.5442 5.5442 5.5447 5.5447 6.7121 6.7121 6.7126 6.7126 7.3287 7.3287 7.3293 7.3293 8.1951 8.1951 8.1956 8.1956 8.6836 8.6836 8.6839 8.6839 10.1292 10.1292 10.1294 10.1294 11.8866 11.8866 11.8868 11.8868 15.2577 15.2577 15.2579 15.2579 k = 0.0455 0.2521 0.2351 ( 3112 PWs) bands (ev): -0.1132 -0.1132 -0.1130 -0.1130 0.2248 0.2248 0.2251 0.2251 4.4314 4.4314 4.4316 4.4316 5.5359 5.5359 5.5364 5.5364 6.7111 6.7111 6.7117 6.7117 7.3744 7.3744 7.3750 7.3750 8.2317 8.2317 8.2322 8.2322 8.6321 8.6321 8.6324 8.6324 10.0867 10.0867 10.0869 10.0869 11.8845 11.8845 11.8847 11.8847 15.2570 15.2570 15.2572 15.2572 k = 0.0364 0.2521 0.2351 ( 3108 PWs) bands (ev): -0.1231 -0.1231 -0.1229 -0.1229 0.2100 0.2100 0.2103 0.2103 4.4186 4.4186 4.4189 4.4189 5.5290 5.5290 5.5295 5.5295 6.7102 6.7102 6.7107 6.7107 7.4147 7.4147 7.4154 7.4154 8.2673 8.2673 8.2678 8.2678 8.5828 8.5828 8.5832 8.5832 10.0506 10.0506 10.0508 10.0508 11.8827 11.8827 11.8830 11.8830 15.2561 15.2561 15.2563 15.2563 k = 0.0273 0.2521 0.2351 ( 3108 PWs) bands (ev): -0.1308 -0.1308 -0.1306 -0.1306 0.1985 0.1985 0.1989 0.1989 4.4087 4.4087 4.4089 4.4089 5.5235 5.5235 5.5241 5.5241 6.7093 6.7093 6.7099 6.7099 7.4481 7.4481 7.4488 7.4488 8.3022 8.3022 8.3027 8.3027 8.5361 8.5361 8.5365 8.5365 10.0217 10.0217 10.0219 10.0219 11.8813 11.8813 11.8816 11.8816 15.2552 15.2552 15.2554 15.2554 k = 0.0182 0.2521 0.2351 ( 3104 PWs) bands (ev): -0.1363 -0.1363 -0.1361 -0.1361 0.1903 0.1903 0.1906 0.1906 4.4015 4.4015 4.4018 4.4018 5.5197 5.5197 5.5202 5.5202 6.7087 6.7087 6.7092 6.7092 7.4733 7.4733 7.4740 7.4740 8.3368 8.3368 8.3373 8.3373 8.4923 8.4923 8.4927 8.4927 10.0006 10.0006 10.0007 10.0007 11.8803 11.8803 11.8805 11.8805 15.2545 15.2545 15.2547 15.2547 k = 0.0091 0.2521 0.2351 ( 3100 PWs) bands (ev): -0.1396 -0.1396 -0.1394 -0.1394 0.1854 0.1854 0.1857 0.1857 4.3972 4.3972 4.3975 4.3975 5.5173 5.5173 5.5178 5.5178 6.7083 6.7083 6.7088 6.7088 7.4890 7.4890 7.4897 7.4897 8.3713 8.3713 8.3718 8.3718 8.4520 8.4520 8.4523 8.4523 9.9877 9.9877 9.9878 9.9878 11.8797 11.8797 11.8799 11.8799 15.2541 15.2541 15.2542 15.2542 k = 0.0000 0.2521 0.2351 ( 3100 PWs) bands (ev): -0.1407 -0.1407 -0.1405 -0.1405 0.1838 0.1838 0.1841 0.1841 4.3958 4.3958 4.3961 4.3961 5.5165 5.5165 5.5170 5.5170 6.7081 6.7081 6.7087 6.7087 7.4943 7.4943 7.4950 7.4950 8.3970 8.3970 8.3977 8.3977 8.4243 8.4243 8.4244 8.4244 9.9833 9.9833 9.9835 9.9835 11.8795 11.8795 11.8797 11.8797 15.2539 15.2539 15.2541 15.2541 k = 0.0000 0.2521 0.2351 ( 3100 PWs) bands (ev): -0.1407 -0.1407 -0.1405 -0.1405 0.1838 0.1838 0.1841 0.1841 4.3958 4.3958 4.3961 4.3961 5.5165 5.5165 5.5170 5.5170 6.7081 6.7081 6.7087 6.7087 7.4943 7.4943 7.4950 7.4950 8.3970 8.3970 8.3977 8.3977 8.4243 8.4243 8.4244 8.4244 9.9833 9.9833 9.9835 9.9835 11.8795 11.8795 11.8797 11.8797 15.2539 15.2539 15.2541 15.2541 k = 0.0000 0.2431 0.2351 ( 3104 PWs) bands (ev): -0.1562 -0.1562 -0.1561 -0.1561 0.2013 0.2013 0.2016 0.2016 4.3959 4.3959 4.3961 4.3961 5.5163 5.5163 5.5168 5.5168 6.7053 6.7053 6.7059 6.7059 7.4942 7.4942 7.4949 7.4949 8.3871 8.3871 8.3877 8.3877 8.4364 8.4364 8.4366 8.4366 9.9730 9.9730 9.9731 9.9731 11.8885 11.8885 11.8888 11.8888 15.2600 15.2600 15.2601 15.2601 k = 0.0000 0.2341 0.2351 ( 3100 PWs) bands (ev): -0.1955 -0.1955 -0.1953 -0.1953 0.2466 0.2466 0.2469 0.2469 4.3961 4.3961 4.3964 4.3964 5.5155 5.5155 5.5161 5.5161 6.6971 6.6971 6.6976 6.6976 7.4938 7.4938 7.4945 7.4945 8.3717 8.3717 8.3723 8.3723 8.4581 8.4581 8.4584 8.4584 9.9427 9.9427 9.9429 9.9429 11.9149 11.9149 11.9151 11.9151 15.2779 15.2779 15.2781 15.2781 k = 0.0000 0.2251 0.2351 ( 3096 PWs) bands (ev): -0.2469 -0.2469 -0.2467 -0.2467 0.3078 0.3078 0.3081 0.3081 4.3965 4.3965 4.3968 4.3968 5.5143 5.5143 5.5148 5.5148 6.6837 6.6837 6.6842 6.6842 7.4932 7.4932 7.4939 7.4939 8.3569 8.3569 8.3575 8.3575 8.4827 8.4827 8.4830 8.4830 9.8954 9.8954 9.8955 9.8955 11.9563 11.9563 11.9565 11.9565 15.3075 15.3075 15.3077 15.3077 k = 0.0000 0.2161 0.2351 ( 3104 PWs) bands (ev): -0.3033 -0.3033 -0.3030 -0.3030 0.3780 0.3780 0.3782 0.3782 4.3970 4.3970 4.3972 4.3972 5.5125 5.5125 5.5129 5.5129 6.6657 6.6657 6.6662 6.6662 7.4923 7.4923 7.4931 7.4931 8.3432 8.3432 8.3438 8.3438 8.5085 8.5085 8.5088 8.5088 9.8347 9.8347 9.8349 9.8349 12.0098 12.0098 12.0101 12.0101 15.3482 15.3482 15.3483 15.3483 k = 0.0000 0.2071 0.2351 ( 3116 PWs) bands (ev): -0.3612 -0.3612 -0.3609 -0.3609 0.4535 0.4535 0.4537 0.4537 4.3975 4.3975 4.3977 4.3977 5.5100 5.5100 5.5105 5.5105 6.6436 6.6436 6.6441 6.6441 7.4913 7.4913 7.4920 7.4920 8.3303 8.3303 8.3309 8.3309 8.5341 8.5341 8.5344 8.5344 9.7652 9.7652 9.7653 9.7653 12.0723 12.0723 12.0725 12.0725 15.3989 15.3989 15.3991 15.3991 k = 0.0000 0.1981 0.2351 ( 3132 PWs) bands (ev): -0.4189 -0.4189 -0.4187 -0.4187 0.5326 0.5326 0.5328 0.5328 4.3979 4.3979 4.3981 4.3981 5.5069 5.5069 5.5073 5.5073 6.6183 6.6183 6.6188 6.6188 7.4900 7.4900 7.4907 7.4907 8.3178 8.3178 8.3183 8.3183 8.5576 8.5576 8.5579 8.5579 9.6917 9.6917 9.6918 9.6918 12.1409 12.1409 12.1411 12.1411 15.4582 15.4582 15.4584 15.4584 k = 0.0000 0.1891 0.2351 ( 3134 PWs) bands (ev): -0.4756 -0.4756 -0.4753 -0.4753 0.6142 0.6142 0.6144 0.6144 4.3982 4.3982 4.3984 4.3984 5.5029 5.5029 5.5034 5.5034 6.5905 6.5905 6.5910 6.5910 7.4884 7.4884 7.4891 7.4891 8.3050 8.3050 8.3055 8.3055 8.5769 8.5769 8.5772 8.5772 9.6192 9.6192 9.6193 9.6193 12.2130 12.2130 12.2132 12.2132 15.5239 15.5239 15.5241 15.5241 k = 0.0000 0.1801 0.2351 ( 3140 PWs) bands (ev): -0.5306 -0.5306 -0.5304 -0.5304 0.6977 0.6977 0.6980 0.6980 4.3982 4.3982 4.3984 4.3984 5.4981 5.4981 5.4986 5.4986 6.5610 6.5610 6.5615 6.5615 7.4865 7.4865 7.4872 7.4872 8.2913 8.2913 8.2918 8.2918 8.5891 8.5891 8.5895 8.5895 9.5528 9.5528 9.5529 9.5529 12.2870 12.2870 12.2872 12.2872 15.5928 15.5928 15.5929 15.5929 k = 0.0000 0.1711 0.2351 ( 3132 PWs) bands (ev): -0.5838 -0.5838 -0.5835 -0.5835 0.7826 0.7826 0.7828 0.7828 4.3978 4.3978 4.3981 4.3981 5.4923 5.4923 5.4927 5.4927 6.5309 6.5309 6.5313 6.5313 7.4842 7.4842 7.4849 7.4849 8.2756 8.2756 8.2761 8.2761 8.5916 8.5916 8.5920 8.5920 9.4977 9.4977 9.4978 9.4978 12.3614 12.3614 12.3616 12.3616 15.6597 15.6597 15.6599 15.6599 k = 0.0000 0.1621 0.2351 ( 3124 PWs) bands (ev): -0.6347 -0.6347 -0.6345 -0.6345 0.8685 0.8685 0.8687 0.8687 4.3969 4.3969 4.3971 4.3971 5.4855 5.4855 5.4858 5.4858 6.5008 6.5008 6.5012 6.5012 7.4812 7.4812 7.4819 7.4819 8.2569 8.2569 8.2573 8.2573 8.5826 8.5826 8.5830 8.5830 9.4579 9.4579 9.4580 9.4580 12.4354 12.4354 12.4356 12.4356 15.7179 15.7179 15.7181 15.7181 k = 0.0000 0.1531 0.2351 ( 3122 PWs) bands (ev): -0.6834 -0.6834 -0.6832 -0.6832 0.9550 0.9550 0.9552 0.9552 4.3953 4.3953 4.3955 4.3955 5.4774 5.4774 5.4777 5.4777 6.4716 6.4716 6.4720 6.4720 7.4774 7.4774 7.4781 7.4781 8.2334 8.2334 8.2338 8.2338 8.5624 8.5624 8.5627 8.5627 9.4356 9.4356 9.4357 9.4357 12.5084 12.5084 12.5085 12.5085 15.7581 15.7581 15.7583 15.7583 k = 0.0000 0.1441 0.2351 ( 3120 PWs) bands (ev): -0.7297 -0.7297 -0.7294 -0.7294 1.0416 1.0416 1.0418 1.0418 4.3928 4.3928 4.3930 4.3930 5.4681 5.4681 5.4684 5.4684 6.4441 6.4441 6.4445 6.4445 7.4725 7.4725 7.4732 7.4732 8.2032 8.2032 8.2036 8.2036 8.5340 8.5340 8.5344 8.5344 9.4305 9.4305 9.4306 9.4306 12.5802 12.5802 12.5803 12.5803 15.7708 15.7708 15.7710 15.7710 k = 0.0000 0.1351 0.2351 ( 3126 PWs) bands (ev): -0.7734 -0.7734 -0.7731 -0.7731 1.1280 1.1280 1.1282 1.1282 4.3892 4.3892 4.3894 4.3894 5.4575 5.4575 5.4577 5.4577 6.4189 6.4189 6.4193 6.4193 7.4661 7.4661 7.4667 7.4667 8.1646 8.1646 8.1650 8.1650 8.5023 8.5023 8.5028 8.5028 9.4402 9.4402 9.4402 9.4402 12.6508 12.6508 12.6510 12.6510 15.7499 15.7499 15.7501 15.7501 k = 0.0000 0.1261 0.2351 ( 3126 PWs) bands (ev): -0.8145 -0.8145 -0.8143 -0.8143 1.2138 1.2138 1.2140 1.2140 4.3844 4.3844 4.3847 4.3847 5.4456 5.4456 5.4458 5.4458 6.3967 6.3967 6.3971 6.3971 7.4575 7.4575 7.4582 7.4582 8.1171 8.1171 8.1174 8.1174 8.4722 8.4722 8.4728 8.4728 9.4612 9.4612 9.4612 9.4612 12.7204 12.7204 12.7206 12.7206 15.6961 15.6961 15.6963 15.6963 k = 0.0000 0.1171 0.2351 ( 3128 PWs) bands (ev): -0.8530 -0.8530 -0.8528 -0.8528 1.2985 1.2985 1.2986 1.2986 4.3783 4.3783 4.3785 4.3785 5.4326 5.4326 5.4328 5.4328 6.3780 6.3780 6.3783 6.3783 7.4462 7.4462 7.4468 7.4468 8.0620 8.0620 8.0623 8.0623 8.4465 8.4465 8.4471 8.4471 9.4902 9.4902 9.4902 9.4902 12.7892 12.7892 12.7894 12.7894 15.6155 15.6155 15.6157 15.6157 k = 0.0000 0.1081 0.2351 ( 3126 PWs) bands (ev): -0.8888 -0.8888 -0.8886 -0.8886 1.3815 1.3815 1.3817 1.3817 4.3707 4.3707 4.3710 4.3710 5.4186 5.4186 5.4188 5.4188 6.3631 6.3631 6.3634 6.3634 7.4312 7.4312 7.4318 7.4318 8.0025 8.0025 8.0029 8.0029 8.4258 8.4258 8.4265 8.4265 9.5244 9.5244 9.5244 9.5244 12.8575 12.8575 12.8577 12.8577 15.5161 15.5161 15.5162 15.5162 k = 0.0000 0.0990 0.2351 ( 3114 PWs) bands (ev): -0.9219 -0.9219 -0.9216 -0.9216 1.4624 1.4624 1.4626 1.4626 4.3616 4.3616 4.3619 4.3619 5.4040 5.4040 5.4041 5.4041 6.3522 6.3522 6.3525 6.3525 7.4114 7.4114 7.4120 7.4120 7.9427 7.9427 7.9431 7.9431 8.4097 8.4097 8.4104 8.4104 9.5614 9.5614 9.5615 9.5615 12.9257 12.9257 12.9259 12.9259 15.4047 15.4047 15.4048 15.4048 k = 0.0000 0.0900 0.2351 ( 3114 PWs) bands (ev): -0.9521 -0.9521 -0.9519 -0.9519 1.5405 1.5405 1.5406 1.5406 4.3511 4.3511 4.3514 4.3514 5.3889 5.3889 5.3890 5.3890 6.3455 6.3455 6.3458 6.3458 7.3858 7.3858 7.3864 7.3864 7.8864 7.8864 7.8869 7.8869 8.3972 8.3972 8.3979 8.3979 9.5995 9.5995 9.5996 9.5996 12.9940 12.9940 12.9941 12.9941 15.2867 15.2867 15.2869 15.2869 k = 0.0000 0.0810 0.2351 ( 3110 PWs) bands (ev): -0.9796 -0.9796 -0.9793 -0.9793 1.6150 1.6150 1.6151 1.6151 4.3391 4.3391 4.3395 4.3395 5.3738 5.3738 5.3740 5.3740 6.3429 6.3429 6.3432 6.3432 7.3539 7.3539 7.3544 7.3544 7.8366 7.8366 7.8372 7.8372 8.3873 8.3873 8.3881 8.3881 9.6373 9.6373 9.6374 9.6374 13.0625 13.0625 13.0626 13.0626 15.1659 15.1659 15.1660 15.1660 k = 0.0000 0.0720 0.2351 ( 3096 PWs) bands (ev): -1.0042 -1.0042 -1.0040 -1.0040 1.6852 1.6852 1.6853 1.6853 4.3261 4.3261 4.3265 4.3265 5.3592 5.3592 5.3594 5.3594 6.3442 6.3442 6.3445 6.3445 7.3158 7.3158 7.3163 7.3163 7.7952 7.7952 7.7958 7.7958 8.3796 8.3796 8.3803 8.3803 9.6736 9.6736 9.6737 9.6737 13.1314 13.1314 13.1315 13.1315 15.0451 15.0451 15.0452 15.0452 k = 0.0000 0.0630 0.2351 ( 3090 PWs) bands (ev): -1.0260 -1.0260 -1.0258 -1.0258 1.7503 1.7503 1.7504 1.7504 4.3124 4.3124 4.3128 4.3128 5.3454 5.3454 5.3456 5.3456 6.3489 6.3489 6.3492 6.3492 7.2729 7.2729 7.2734 7.2734 7.7624 7.7624 7.7630 7.7630 8.3734 8.3734 8.3741 8.3741 9.7076 9.7076 9.7077 9.7077 13.2004 13.2004 13.2005 13.2005 14.9266 14.9266 14.9267 14.9267 k = 0.0000 0.0540 0.2351 ( 3092 PWs) bands (ev): -1.0449 -1.0449 -1.0447 -1.0447 1.8093 1.8093 1.8094 1.8094 4.2984 4.2984 4.2988 4.2988 5.3327 5.3327 5.3330 5.3330 6.3565 6.3565 6.3568 6.3568 7.2275 7.2275 7.2279 7.2279 7.7374 7.7374 7.7380 7.7380 8.3684 8.3684 8.3692 8.3692 9.7384 9.7384 9.7385 9.7385 13.2691 13.2691 13.2693 13.2693 14.8124 14.8124 14.8125 14.8125 k = 0.0000 0.0450 0.2351 ( 3106 PWs) bands (ev): -1.0610 -1.0610 -1.0607 -1.0607 1.8615 1.8615 1.8615 1.8615 4.2848 4.2848 4.2853 4.2853 5.3216 5.3216 5.3219 5.3219 6.3662 6.3662 6.3665 6.3665 7.1823 7.1823 7.1827 7.1827 7.7189 7.7189 7.7196 7.7196 8.3645 8.3645 8.3653 8.3653 9.7655 9.7655 9.7656 9.7656 13.3366 13.3366 13.3367 13.3367 14.7047 14.7047 14.7048 14.7048 k = 0.0000 0.0360 0.2351 ( 3110 PWs) bands (ev): -1.0741 -1.0741 -1.0738 -1.0738 1.9057 1.9057 1.9058 1.9058 4.2724 4.2724 4.2729 4.2729 5.3122 5.3122 5.3126 5.3126 6.3769 6.3769 6.3773 6.3773 7.1401 7.1401 7.1406 7.1406 7.7055 7.7055 7.7063 7.7063 8.3615 8.3615 8.3623 8.3623 9.7884 9.7884 9.7885 9.7885 13.4010 13.4010 13.4011 13.4011 14.6062 14.6062 14.6062 14.6062 k = 0.0000 0.0270 0.2351 ( 3114 PWs) bands (ev): -1.0843 -1.0843 -1.0841 -1.0841 1.9412 1.9412 1.9412 1.9412 4.2617 4.2617 4.2622 4.2622 5.3047 5.3047 5.3051 5.3051 6.3875 6.3875 6.3880 6.3880 7.1037 7.1037 7.1042 7.1042 7.6962 7.6962 7.6970 7.6970 8.3592 8.3592 8.3600 8.3600 9.8065 9.8065 9.8066 9.8066 13.4597 13.4597 13.4598 13.4598 14.5203 14.5203 14.5204 14.5204 k = 0.0000 0.0180 0.2351 ( 3114 PWs) bands (ev): -1.0916 -1.0916 -1.0914 -1.0914 1.9672 1.9672 1.9672 1.9672 4.2535 4.2535 4.2540 4.2540 5.2993 5.2993 5.2997 5.2997 6.3966 6.3966 6.3971 6.3971 7.0756 7.0756 7.0761 7.0761 7.6901 7.6901 7.6909 7.6909 8.3577 8.3577 8.3584 8.3584 9.8197 9.8197 9.8198 9.8198 13.5083 13.5083 13.5084 13.5084 14.4519 14.4519 14.4520 14.4520 k = 0.0000 0.0090 0.2351 ( 3110 PWs) bands (ev): -1.0960 -1.0960 -1.0958 -1.0958 1.9830 1.9830 1.9831 1.9831 4.2484 4.2484 4.2489 4.2489 5.2960 5.2960 5.2965 5.2965 6.4027 6.4027 6.4032 6.4032 7.0577 7.0577 7.0582 7.0582 7.6867 7.6867 7.6874 7.6874 8.3567 8.3567 8.3575 8.3575 9.8278 9.8278 9.8279 9.8279 13.5412 13.5412 13.5414 13.5414 14.4070 14.4070 14.4070 14.4070 k = 0.0000 0.0000 0.2351 ( 3120 PWs) bands (ev): -1.0975 -1.0975 -1.0972 -1.0972 1.9884 1.9884 1.9884 1.9884 4.2466 4.2466 4.2472 4.2472 5.2949 5.2949 5.2954 5.2954 6.4049 6.4049 6.4054 6.4054 7.0516 7.0516 7.0521 7.0521 7.6856 7.6856 7.6863 7.6863 8.3564 8.3564 8.3572 8.3572 9.8304 9.8304 9.8305 9.8305 13.5530 13.5530 13.5532 13.5532 14.3912 14.3912 14.3912 14.3912 k = 0.0000 0.2521-0.0000 ( 3126 PWs) bands (ev): -0.8405 -0.8405 -0.8404 -0.8404 1.3111 1.3111 1.3113 1.3113 4.3784 4.3784 4.3787 4.3787 5.4410 5.4410 5.4417 5.4417 6.4060 6.4060 6.4065 6.4065 7.3004 7.3004 7.3010 7.3010 7.7329 7.7329 7.7335 7.7335 8.4253 8.4253 8.4261 8.4261 9.6168 9.6168 9.6170 9.6170 14.4782 14.4782 14.4783 14.4783 14.8973 14.8973 14.8976 14.8976 k = 0.0000 0.2521 0.0090 ( 3122 PWs) bands (ev): -0.8391 -0.8391 -0.8391 -0.8391 1.3079 1.3079 1.3082 1.3082 4.3787 4.3787 4.3790 4.3790 5.4416 5.4416 5.4423 5.4423 6.4060 6.4060 6.4064 6.4064 7.3029 7.3029 7.3035 7.3035 7.7350 7.7350 7.7356 7.7356 8.4257 8.4257 8.4264 8.4264 9.6152 9.6152 9.6153 9.6153 14.4461 14.4461 14.4462 14.4462 14.9310 14.9310 14.9312 14.9312 k = 0.0000 0.2521 0.0181 ( 3114 PWs) bands (ev): -0.8352 -0.8352 -0.8351 -0.8351 1.2985 1.2985 1.2987 1.2987 4.3795 4.3795 4.3799 4.3799 5.4432 5.4432 5.4439 5.4439 6.4060 6.4060 6.4064 6.4064 7.3100 7.3100 7.3107 7.3107 7.7414 7.7414 7.7420 7.7420 8.4267 8.4267 8.4275 8.4275 9.6104 9.6104 9.6106 9.6106 14.3693 14.3693 14.3694 14.3694 15.0123 15.0123 15.0125 15.0125 k = 0.0000 0.2521 0.0271 ( 3110 PWs) bands (ev): -0.8286 -0.8286 -0.8285 -0.8285 1.2829 1.2829 1.2831 1.2831 4.3809 4.3809 4.3812 4.3812 5.4459 5.4459 5.4466 5.4466 6.4063 6.4063 6.4067 6.4067 7.3213 7.3213 7.3219 7.3219 7.7524 7.7524 7.7530 7.7530 8.4284 8.4284 8.4292 8.4292 9.6026 9.6026 9.6027 9.6027 14.2727 14.2727 14.2728 14.2728 15.1160 15.1160 15.1162 15.1162 k = 0.0000 0.2521 0.0362 ( 3114 PWs) bands (ev): -0.8193 -0.8193 -0.8193 -0.8193 1.2614 1.2614 1.2616 1.2616 4.3827 4.3827 4.3830 4.3830 5.4495 5.4495 5.4502 5.4502 6.4072 6.4072 6.4076 6.4076 7.3357 7.3357 7.3364 7.3364 7.7683 7.7683 7.7689 7.7689 8.4309 8.4309 8.4317 8.4317 9.5920 9.5920 9.5921 9.5921 14.1679 14.1679 14.1680 14.1680 15.2298 15.2298 15.2300 15.2300 k = 0.0000 0.2521 0.0452 ( 3114 PWs) bands (ev): -0.8075 -0.8075 -0.8074 -0.8074 1.2343 1.2343 1.2345 1.2345 4.3849 4.3849 4.3851 4.3851 5.4539 5.4539 5.4546 5.4546 6.4091 6.4091 6.4094 6.4094 7.3522 7.3522 7.3528 7.3528 7.7896 7.7896 7.7901 7.7901 8.4342 8.4342 8.4349 8.4349 9.5790 9.5790 9.5791 9.5791 14.0590 14.0590 14.0592 14.0592 15.3485 15.3485 15.3486 15.3486 k = 0.0000 0.2521 0.0543 ( 3118 PWs) bands (ev): -0.7930 -0.7930 -0.7930 -0.7930 1.2018 1.2018 1.2020 1.2020 4.3872 4.3872 4.3874 4.3874 5.4589 5.4589 5.4596 5.4596 6.4124 6.4124 6.4126 6.4126 7.3693 7.3693 7.3699 7.3699 7.8164 7.8164 7.8169 7.8169 8.4383 8.4383 8.4390 8.4390 9.5640 9.5640 9.5641 9.5641 13.9479 13.9479 13.9481 13.9481 15.4685 15.4685 15.4687 15.4687 k = 0.0000 0.2521 0.0633 ( 3112 PWs) bands (ev): -0.7760 -0.7760 -0.7760 -0.7760 1.1644 1.1644 1.1646 1.1646 4.3895 4.3895 4.3898 4.3898 5.4644 5.4644 5.4650 5.4650 6.4174 6.4174 6.4176 6.4176 7.3862 7.3862 7.3868 7.3868 7.8490 7.8490 7.8494 7.8494 8.4434 8.4434 8.4441 8.4441 9.5476 9.5476 9.5478 9.5478 13.8351 13.8351 13.8353 13.8353 15.5866 15.5866 15.5867 15.5867 k = 0.0000 0.2521 0.0723 ( 3108 PWs) bands (ev): -0.7564 -0.7564 -0.7564 -0.7564 1.1226 1.1226 1.1228 1.1228 4.3918 4.3918 4.3920 4.3920 5.4700 5.4700 5.4706 5.4706 6.4245 6.4245 6.4247 6.4247 7.4019 7.4019 7.4025 7.4025 7.8869 7.8869 7.8873 7.8873 8.4495 8.4495 8.4502 8.4502 9.5307 9.5307 9.5308 9.5308 13.7208 13.7208 13.7210 13.7210 15.6975 15.6975 15.6976 15.6976 k = 0.0000 0.2521 0.0814 ( 3110 PWs) bands (ev): -0.7343 -0.7343 -0.7343 -0.7343 1.0767 1.0767 1.0769 1.0769 4.3939 4.3939 4.3942 4.3942 5.4757 5.4757 5.4763 5.4763 6.4338 6.4338 6.4340 6.4340 7.4159 7.4159 7.4166 7.4166 7.9292 7.9292 7.9296 7.9296 8.4567 8.4567 8.4574 8.4574 9.5140 9.5140 9.5142 9.5142 13.6049 13.6049 13.6051 13.6051 15.7928 15.7928 15.7929 15.7929 k = 0.0000 0.2521 0.0904 ( 3106 PWs) bands (ev): -0.7097 -0.7097 -0.7097 -0.7097 1.0272 1.0272 1.0274 1.0274 4.3958 4.3958 4.3960 4.3960 5.4812 5.4812 5.4818 5.4818 6.4455 6.4455 6.4457 6.4457 7.4282 7.4282 7.4288 7.4288 7.9748 7.9748 7.9750 7.9750 8.4652 8.4652 8.4659 8.4659 9.4989 9.4989 9.4990 9.4990 13.4873 13.4873 13.4874 13.4874 15.8585 15.8585 15.8587 15.8587 k = 0.0000 0.2521 0.0995 ( 3120 PWs) bands (ev): -0.6827 -0.6827 -0.6827 -0.6827 0.9746 0.9746 0.9748 0.9748 4.3974 4.3974 4.3976 4.3976 5.4865 5.4865 5.4871 5.4871 6.4596 6.4596 6.4597 6.4597 7.4387 7.4387 7.4393 7.4393 8.0219 8.0219 8.0221 8.0221 8.4748 8.4748 8.4755 8.4755 9.4865 9.4865 9.4867 9.4867 13.3679 13.3679 13.3680 13.3680 15.8805 15.8805 15.8807 15.8807 k = 0.0000 0.2521 0.1085 ( 3122 PWs) bands (ev): -0.6533 -0.6533 -0.6533 -0.6533 0.9194 0.9194 0.9196 0.9196 4.3986 4.3986 4.3988 4.3988 5.4914 5.4914 5.4920 5.4920 6.4759 6.4759 6.4761 6.4761 7.4476 7.4476 7.4482 7.4482 8.0687 8.0687 8.0689 8.0689 8.4855 8.4855 8.4861 8.4861 9.4786 9.4786 9.4787 9.4787 13.2467 13.2467 13.2469 13.2469 15.8582 15.8582 15.8584 15.8584 k = 0.0000 0.2521 0.1175 ( 3114 PWs) bands (ev): -0.6216 -0.6216 -0.6216 -0.6216 0.8620 0.8620 0.8621 0.8621 4.3994 4.3994 4.3996 4.3996 5.4959 5.4959 5.4964 5.4964 6.4943 6.4943 6.4945 6.4945 7.4551 7.4551 7.4558 7.4558 8.1135 8.1135 8.1137 8.1137 8.4967 8.4967 8.4973 8.4973 9.4767 9.4767 9.4769 9.4769 13.1238 13.1238 13.1240 13.1240 15.8063 15.8063 15.8065 15.8065 k = 0.0000 0.2521 0.1266 ( 3110 PWs) bands (ev): -0.5876 -0.5876 -0.5876 -0.5876 0.8027 0.8027 0.8029 0.8029 4.4000 4.4000 4.4002 4.4002 5.4998 5.4998 5.5003 5.5003 6.5143 6.5143 6.5146 6.5146 7.4615 7.4615 7.4622 7.4622 8.1549 8.1549 8.1550 8.1550 8.5077 8.5077 8.5083 8.5083 9.4829 9.4829 9.4831 9.4831 12.9995 12.9995 12.9997 12.9997 15.7405 15.7405 15.7406 15.7406 k = 0.0000 0.2521 0.1356 ( 3110 PWs) bands (ev): -0.5515 -0.5515 -0.5515 -0.5515 0.7422 0.7422 0.7423 0.7423 4.4002 4.4002 4.4004 4.4004 5.5032 5.5032 5.5038 5.5038 6.5357 6.5357 6.5360 6.5360 7.4670 7.4670 7.4677 7.4677 8.1917 8.1917 8.1919 8.1919 8.5173 8.5173 8.5178 8.5178 9.4986 9.4986 9.4988 9.4988 12.8743 12.8743 12.8745 12.8745 15.6705 15.6705 15.6706 15.6706 k = 0.0000 0.2521 0.1447 ( 3116 PWs) bands (ev): -0.5134 -0.5134 -0.5134 -0.5134 0.6807 0.6807 0.6809 0.6809 4.4001 4.4001 4.4003 4.4003 5.5061 5.5061 5.5067 5.5067 6.5579 6.5579 6.5582 6.5582 7.4717 7.4717 7.4724 7.4724 8.2238 8.2238 8.2240 8.2240 8.5242 8.5242 8.5246 8.5246 9.5249 9.5249 9.5251 9.5251 12.7489 12.7489 12.7491 12.7491 15.6018 15.6018 15.6019 15.6019 k = 0.0000 0.2521 0.1537 ( 3120 PWs) bands (ev): -0.4734 -0.4734 -0.4734 -0.4734 0.6187 0.6187 0.6189 0.6189 4.3998 4.3998 4.4000 4.4000 5.5086 5.5086 5.5091 5.5091 6.5804 6.5804 6.5808 6.5808 7.4759 7.4759 7.4766 7.4766 8.2513 8.2513 8.2516 8.2516 8.5272 8.5272 8.5276 8.5276 9.5621 9.5621 9.5624 9.5624 12.6242 12.6242 12.6244 12.6244 15.5371 15.5371 15.5373 15.5373 k = 0.0000 0.2521 0.1628 ( 3116 PWs) bands (ev): -0.4317 -0.4317 -0.4317 -0.4317 0.5568 0.5568 0.5569 0.5569 4.3994 4.3994 4.3996 4.3996 5.5106 5.5106 5.5111 5.5111 6.6027 6.6027 6.6031 6.6031 7.4795 7.4795 7.4802 7.4802 8.2749 8.2749 8.2752 8.2752 8.5257 8.5257 8.5260 8.5260 9.6094 9.6094 9.6096 9.6096 12.5016 12.5016 12.5018 12.5018 15.4781 15.4781 15.4783 15.4783 k = 0.0000 0.2521 0.1718 ( 3114 PWs) bands (ev): -0.3886 -0.3886 -0.3886 -0.3886 0.4952 0.4952 0.4954 0.4954 4.3988 4.3988 4.3990 4.3990 5.5122 5.5122 5.5128 5.5128 6.6242 6.6242 6.6247 6.6247 7.4828 7.4828 7.4835 7.4835 8.2953 8.2953 8.2956 8.2956 8.5196 8.5196 8.5199 8.5199 9.6649 9.6649 9.6651 9.6651 12.3825 12.3825 12.3828 12.3828 15.4256 15.4256 15.4257 15.4257 k = 0.0000 0.2521 0.1808 ( 3110 PWs) bands (ev): -0.3445 -0.3445 -0.3444 -0.3444 0.4348 0.4348 0.4349 0.4349 4.3982 4.3982 4.3984 4.3984 5.5135 5.5135 5.5141 5.5141 6.6444 6.6444 6.6448 6.6448 7.4857 7.4857 7.4864 7.4864 8.3135 8.3135 8.3138 8.3138 8.5095 8.5095 8.5098 8.5098 9.7257 9.7257 9.7259 9.7259 12.2692 12.2692 12.2694 12.2694 15.3799 15.3799 15.3800 15.3800 k = 0.0000 0.2521 0.1899 ( 3116 PWs) bands (ev): -0.2999 -0.2999 -0.2999 -0.2999 0.3761 0.3761 0.3763 0.3763 4.3976 4.3976 4.3978 4.3978 5.5146 5.5146 5.5151 5.5151 6.6625 6.6625 6.6630 6.6630 7.4882 7.4882 7.4889 7.4889 8.3300 8.3300 8.3304 8.3304 8.4963 8.4963 8.4966 8.4966 9.7884 9.7884 9.7886 9.7886 12.1640 12.1640 12.1642 12.1642 15.3412 15.3412 15.3414 15.3414 k = 0.0000 0.2521 0.1989 ( 3108 PWs) bands (ev): -0.2559 -0.2559 -0.2558 -0.2558 0.3203 0.3203 0.3205 0.3205 4.3970 4.3970 4.3972 4.3972 5.5153 5.5153 5.5158 5.5158 6.6782 6.6782 6.6788 6.6788 7.4903 7.4903 7.4910 7.4910 8.3456 8.3456 8.3460 8.3460 8.4810 8.4810 8.4812 8.4812 9.8489 9.8489 9.8491 9.8491 12.0701 12.0701 12.0703 12.0703 15.3097 15.3097 15.3099 15.3099 k = 0.0000 0.2521 0.2080 ( 3108 PWs) bands (ev): -0.2140 -0.2140 -0.2139 -0.2139 0.2692 0.2692 0.2694 0.2694 4.3965 4.3965 4.3967 4.3967 5.5159 5.5159 5.5164 5.5164 6.6910 6.6910 6.6915 6.6915 7.4920 7.4920 7.4927 7.4927 8.3607 8.3607 8.3612 8.3612 8.4645 8.4645 8.4647 8.4647 9.9030 9.9030 9.9031 9.9031 11.9910 11.9910 11.9912 11.9912 15.2853 15.2853 15.2854 15.2854 k = 0.0000 0.2521 0.2170 ( 3104 PWs) bands (ev): -0.1773 -0.1773 -0.1772 -0.1772 0.2258 0.2258 0.2261 0.2261 4.3961 4.3961 4.3964 4.3964 5.5162 5.5162 5.5168 5.5168 6.7004 6.7004 6.7009 6.7009 7.4933 7.4933 7.4940 7.4940 8.3755 8.3755 8.3760 8.3760 8.4479 8.4479 8.4481 8.4481 9.9459 9.9459 9.9461 9.9461 11.9306 11.9306 11.9308 11.9308 15.2678 15.2678 15.2680 15.2680 k = 0.0000 0.2521 0.2260 ( 3100 PWs) bands (ev): -0.1507 -0.1507 -0.1505 -0.1505 0.1951 0.1951 0.1954 0.1954 4.3959 4.3959 4.3961 4.3961 5.5165 5.5165 5.5170 5.5170 6.7062 6.7062 6.7067 6.7067 7.4940 7.4940 7.4948 7.4948 8.3893 8.3893 8.3899 8.3899 8.4326 8.4326 8.4327 8.4327 9.9737 9.9737 9.9739 9.9739 11.8925 11.8925 11.8927 11.8927 15.2574 15.2574 15.2576 15.2576 k = 0.0000 0.2521 0.2351 ( 3100 PWs) bands (ev): -0.1407 -0.1407 -0.1405 -0.1405 0.1838 0.1838 0.1841 0.1841 4.3958 4.3958 4.3961 4.3961 5.5165 5.5165 5.5170 5.5170 6.7081 6.7081 6.7087 6.7087 7.4943 7.4943 7.4950 7.4950 8.3970 8.3970 8.3977 8.3977 8.4243 8.4243 8.4244 8.4244 9.9833 9.9833 9.9835 9.9835 11.8795 11.8795 11.8797 11.8797 15.2539 15.2539 15.2541 15.2541 k = 0.5000-0.0000 0.2351 ( 3096 PWs) bands (ev): 2.5250 2.5250 2.5510 2.5510 2.5759 2.5759 2.6343 2.6343 3.9484 3.9484 4.1399 4.1399 5.3682 5.3682 5.4884 5.4884 6.3736 6.3736 6.4729 6.4729 7.1742 7.1742 7.2525 7.2525 8.1404 8.1404 8.3841 8.3841 9.0502 9.0502 9.3054 9.3054 10.1541 10.1541 10.2546 10.2546 11.3668 11.3668 11.3904 11.3904 11.6109 11.6109 11.7022 11.7022 k = 0.5000-0.0000 0.2260 ( 3100 PWs) bands (ev): 2.5097 2.5097 2.5396 2.5396 2.5900 2.5900 2.6442 2.6442 3.9513 3.9513 4.1421 4.1421 5.3701 5.3701 5.4895 5.4895 6.3719 6.3719 6.4719 6.4719 7.1727 7.1727 7.2513 7.2513 8.1435 8.1435 8.3862 8.3862 9.0514 9.0514 9.3057 9.3057 10.1532 10.1532 10.2555 10.2555 11.3194 11.3194 11.3643 11.3643 11.6535 11.6535 11.7242 11.7242 k = 0.5000-0.0000 0.2170 ( 3098 PWs) bands (ev): 2.4810 2.4810 2.5141 2.5141 2.6151 2.6151 2.6651 2.6651 3.9597 3.9597 4.1487 4.1487 5.3759 5.3759 5.4925 5.4925 6.3669 6.3669 6.4689 6.4689 7.1685 7.1685 7.2477 7.2477 8.1528 8.1528 8.3925 8.3925 9.0550 9.0550 9.3063 9.3063 10.1502 10.1502 10.2580 10.2580 11.2208 11.2208 11.3010 11.3010 11.7376 11.7376 11.7757 11.7757 k = 0.5000-0.0000 0.2080 ( 3098 PWs) bands (ev): 2.4492 2.4492 2.4830 2.4830 2.6411 2.6411 2.6885 2.6885 3.9735 3.9735 4.1595 4.1595 5.3855 5.3855 5.4975 5.4975 6.3586 6.3586 6.4643 6.4643 7.1616 7.1616 7.2420 7.2420 8.1679 8.1679 8.4029 8.4029 9.0609 9.0609 9.3073 9.3073 10.1449 10.1449 10.2620 10.2620 11.1058 11.1058 11.2200 11.2200 11.8290 11.8290 11.8379 11.8379 k = 0.5000-0.0000 0.1989 ( 3102 PWs) bands (ev): 2.4160 2.4160 2.4496 2.4496 2.6662 2.6662 2.7117 2.7117 3.9926 3.9926 4.1744 4.1744 5.3988 5.3988 5.5042 5.5042 6.3475 6.3475 6.4584 6.4584 7.1523 7.1523 7.2342 7.2342 8.1885 8.1885 8.4169 8.4169 9.0688 9.0688 9.3086 9.3086 10.1364 10.1364 10.2670 10.2670 10.9837 10.9837 11.1313 11.1313 11.9020 11.9020 11.9189 11.9189 k = 0.5000-0.0000 0.1899 ( 3098 PWs) bands (ev): 2.3823 2.3823 2.4149 2.4149 2.6900 2.6900 2.7335 2.7335 4.0164 4.0164 4.1930 4.1930 5.4156 5.4156 5.5123 5.5123 6.3339 6.3339 6.4520 6.4520 7.1409 7.1409 7.2247 7.2247 8.2140 8.2140 8.4343 8.4343 9.0783 9.0783 9.3099 9.3099 10.1235 10.1235 10.2719 10.2719 10.8585 10.8585 11.0402 11.0402 11.9644 11.9644 12.0048 12.0048 k = 0.5000-0.0000 0.1808 ( 3090 PWs) bands (ev): 2.3483 2.3483 2.3797 2.3797 2.7123 2.7123 2.7538 2.7538 4.0447 4.0447 4.2151 4.2151 5.4356 5.4356 5.5214 5.5214 6.3185 6.3185 6.4458 6.4458 7.1278 7.1278 7.2138 7.2138 8.2439 8.2439 8.4545 8.4545 9.0892 9.0892 9.3113 9.3113 10.1047 10.1047 10.2745 10.2745 10.7338 10.7338 10.9508 10.9508 12.0238 12.0238 12.0857 12.0857 k = 0.5000-0.0000 0.1718 ( 3086 PWs) bands (ev): 2.3145 2.3145 2.3444 2.3444 2.7329 2.7329 2.7723 2.7723 4.0768 4.0768 4.2401 4.2401 5.4583 5.4583 5.5309 5.5309 6.3019 6.3019 6.4407 6.4407 7.1132 7.1132 7.2020 7.2020 8.2774 8.2774 8.4771 8.4771 9.1008 9.1008 9.3123 9.3123 10.0777 10.0777 10.2695 10.2695 10.6158 10.6158 10.8667 10.8667 12.0796 12.0796 12.1611 12.1611 k = 0.5000-0.0000 0.1628 ( 3074 PWs) bands (ev): 2.2811 2.2811 2.3094 2.3094 2.7520 2.7520 2.7891 2.7891 4.1123 4.1123 4.2676 4.2676 5.4833 5.4833 5.5403 5.5403 6.2852 6.2852 6.4378 6.4378 7.0977 7.0977 7.1897 7.1897 8.3138 8.3138 8.5014 8.5014 9.1127 9.1127 9.3129 9.3129 10.0402 10.0402 10.2436 10.2436 10.5186 10.5186 10.7914 10.7914 12.1317 12.1317 12.2309 12.2309 k = 0.5000-0.0000 0.1537 ( 3064 PWs) bands (ev): 2.2483 2.2483 2.2749 2.2749 2.7695 2.7695 2.8042 2.8042 4.1507 4.1507 4.2973 4.2973 5.5096 5.5096 5.5487 5.5487 6.2693 6.2693 6.4382 6.4382 7.0815 7.0815 7.1772 7.1772 8.3525 8.3525 8.5268 8.5268 9.1241 9.1241 9.3128 9.3128 9.9904 9.9904 10.1772 10.1772 10.4624 10.4624 10.7281 10.7281 12.1802 12.1802 12.2950 12.2950 k = 0.5000-0.0000 0.1447 ( 3068 PWs) bands (ev): 2.2164 2.2164 2.2412 2.2412 2.7854 2.7854 2.8178 2.8178 4.1913 4.1913 4.3287 4.3287 5.5362 5.5362 5.5555 5.5555 6.2557 6.2557 6.4428 6.4428 7.0651 7.0651 7.1650 7.1650 8.3927 8.3927 8.5525 8.5525 9.1343 9.1343 9.3115 9.3115 9.9278 9.9278 10.0728 10.0728 10.4455 10.4455 10.6785 10.6785 12.2254 12.2254 12.3537 12.3537 k = 0.5000-0.0000 0.1356 ( 3070 PWs) bands (ev): 2.1856 2.1856 2.2086 2.2086 2.8000 2.8000 2.8299 2.8299 4.2337 4.2337 4.3612 4.3612 5.5600 5.5600 5.5614 5.5614 6.2461 6.2461 6.4527 6.4527 7.0488 7.0488 7.1537 7.1537 8.4336 8.4336 8.5775 8.5775 9.1425 9.1425 9.3084 9.3084 9.8539 9.8539 9.9503 9.9503 10.4488 10.4488 10.6426 10.6426 12.2674 12.2674 12.4069 12.4069 k = 0.5000-0.0000 0.1266 ( 3066 PWs) bands (ev): 2.1561 2.1561 2.1773 2.1773 2.8132 2.8132 2.8407 2.8407 4.2773 4.2773 4.3946 4.3946 5.5615 5.5615 5.5837 5.5837 6.2421 6.2421 6.4687 6.4687 7.0331 7.0331 7.1438 7.1438 8.4742 8.4742 8.6008 8.6008 9.1474 9.1474 9.3028 9.3028 9.7724 9.7724 9.8226 9.8226 10.4610 10.4610 10.6188 10.6188 12.3067 12.3067 12.4550 12.4550 k = 0.5000-0.0000 0.1175 ( 3070 PWs) bands (ev): 2.1279 2.1279 2.1474 2.1474 2.8251 2.8251 2.8503 2.8503 4.3217 4.3217 4.4285 4.4285 5.5597 5.5597 5.6011 5.6011 6.2456 6.2456 6.4909 6.4909 7.0187 7.0187 7.1357 7.1357 8.5134 8.5134 8.6207 8.6207 9.1477 9.1477 9.2928 9.2928 9.6881 9.6881 9.6968 9.6968 10.4774 10.4774 10.6049 10.6049 12.3435 12.3435 12.4980 12.4980 k = 0.5000-0.0000 0.1085 ( 3072 PWs) bands (ev): 2.1014 2.1014 2.1192 2.1192 2.8359 2.8359 2.8588 2.8588 4.3662 4.3662 4.4624 4.4624 5.5545 5.5545 5.6120 5.6120 6.2581 6.2581 6.5193 6.5193 7.0063 7.0063 7.1301 7.1301 8.5496 8.5496 8.6351 8.6351 9.1418 9.1418 9.2746 9.2746 9.5802 9.5802 9.6067 9.6067 10.4960 10.4960 10.5984 10.5984 12.3781 12.3781 12.5363 12.5363 k = 0.5000-0.0000 0.0995 ( 3072 PWs) bands (ev): 2.0766 2.0766 2.0927 2.0927 2.8456 2.8456 2.8662 2.8662 4.4105 4.4105 4.4960 4.4960 5.5460 5.5460 5.6154 5.6154 6.2801 6.2801 6.5529 6.5529 6.9970 6.9970 7.1277 7.1277 8.5803 8.5803 8.6409 8.6409 9.1286 9.1286 9.2407 9.2407 9.4836 9.4836 9.5342 9.5342 10.5155 10.5155 10.5974 10.5974 12.4108 12.4108 12.5699 12.5699 k = 0.5000-0.0000 0.0904 ( 3084 PWs) bands (ev): 2.0536 2.0536 2.0681 2.0681 2.8543 2.8543 2.8727 2.8727 4.4540 4.4540 4.5290 4.5290 5.5347 5.5347 5.6115 5.6115 6.3110 6.3110 6.5900 6.5900 6.9924 6.9924 7.1294 7.1294 8.6014 8.6014 8.6336 8.6336 9.1091 9.1091 9.1843 9.1843 9.4185 9.4185 9.4755 9.4755 10.5351 10.5351 10.6004 10.6004 12.4418 12.4418 12.5990 12.5990 k = 0.5000-0.0000 0.0814 ( 3084 PWs) bands (ev): 2.0326 2.0326 2.0455 2.0455 2.8620 2.8620 2.8784 2.8784 4.4964 4.4964 4.5610 4.5610 5.5211 5.5211 5.6010 5.6010 6.3493 6.3493 6.6279 6.6279 6.9949 6.9949 7.1360 7.1360 8.6061 8.6061 8.6084 8.6084 9.0874 9.0874 9.1154 9.1154 9.3819 9.3819 9.4320 9.4320 10.5544 10.5544 10.6060 10.6060 12.4712 12.4712 12.6238 12.6238 k = 0.5000-0.0000 0.0723 ( 3088 PWs) bands (ev): 2.0136 2.0136 2.0250 2.0250 2.8689 2.8689 2.8832 2.8832 4.5370 4.5370 4.5917 4.5917 5.5060 5.5060 5.5852 5.5852 6.3925 6.3925 6.6626 6.6626 7.0078 7.0078 7.1486 7.1486 8.5625 8.5625 8.5853 8.5853 9.0566 9.0566 9.0700 9.0700 9.3609 9.3609 9.4015 9.4015 10.5728 10.5728 10.6132 10.6132 12.4992 12.4992 12.6443 12.6443 k = 0.5000-0.0000 0.0633 ( 3090 PWs) bands (ev): 1.9967 1.9967 2.0066 2.0066 2.8749 2.8749 2.8873 2.8873 4.5754 4.5754 4.6206 4.6206 5.4902 5.4902 5.5657 5.5657 6.4382 6.4382 6.6899 6.6899 7.0342 7.0342 7.1681 7.1681 8.4969 8.4969 8.5333 8.5333 9.0227 9.0227 9.0605 9.0605 9.3470 9.3470 9.3800 9.3800 10.5900 10.5900 10.6213 10.6213 12.5259 12.5259 12.6606 12.6606 k = 0.5000-0.0000 0.0543 ( 3090 PWs) bands (ev): 1.9821 1.9821 1.9905 1.9905 2.8801 2.8801 2.8906 2.8906 4.6110 4.6110 4.6474 4.6474 5.4748 5.4748 5.5440 5.5440 6.4837 6.4837 6.7075 6.7075 7.0755 7.0755 7.1953 7.1953 8.4165 8.4165 8.4552 8.4552 9.0131 9.0131 9.0588 9.0588 9.3363 9.3363 9.3641 9.3641 10.6056 10.6056 10.6295 10.6295 12.5511 12.5511 12.6727 12.6727 k = 0.5000-0.0000 0.0452 ( 3086 PWs) bands (ev): 1.9697 1.9697 1.9766 1.9766 2.8846 2.8846 2.8933 2.8933 4.6431 4.6431 4.6715 4.6715 5.4605 5.4605 5.5215 5.5215 6.5268 6.5268 6.7155 6.7155 7.1299 7.1299 7.2304 7.2304 8.3278 8.3278 8.3624 8.3624 9.0190 9.0190 9.0624 9.0624 9.3277 9.3277 9.3512 9.3512 10.6194 10.6194 10.6372 10.6372 12.5749 12.5749 12.6809 12.6809 k = 0.5000-0.0000 0.0362 ( 3092 PWs) bands (ev): 1.9596 1.9596 1.9651 1.9651 2.8884 2.8884 2.8953 2.8953 4.6711 4.6711 4.6923 4.6923 5.4485 5.4485 5.4995 5.4995 6.5657 6.5657 6.7159 6.7159 7.1930 7.1930 7.2722 7.2722 8.2369 8.2369 8.2654 8.2654 9.0323 9.0323 9.0686 9.0686 9.3205 9.3205 9.3402 9.3402 10.6311 10.6311 10.6441 10.6441 12.5970 12.5970 12.6850 12.6850 k = 0.5000-0.0000 0.0271 ( 3100 PWs) bands (ev): 1.9518 1.9518 1.9560 1.9560 2.8915 2.8915 2.8967 2.8967 4.6943 4.6943 4.7091 4.7091 5.4395 5.4395 5.4792 5.4792 6.5996 6.5996 6.7108 6.7108 7.2594 7.2594 7.3177 7.3177 8.1504 8.1504 8.1725 8.1725 9.0476 9.0476 9.0751 9.0751 9.3150 9.3150 9.3305 9.3305 10.6407 10.6407 10.6496 10.6496 12.6173 12.6173 12.6853 12.6853 k = 0.5000-0.0000 0.0181 ( 3104 PWs) bands (ev): 1.9465 1.9465 1.9492 1.9492 2.8940 2.8940 2.8974 2.8974 4.7119 4.7119 4.7213 4.7213 5.4345 5.4345 5.4617 5.4617 6.6284 6.6284 6.7014 6.7014 7.3220 7.3220 7.3607 7.3607 8.0763 8.0763 8.0918 8.0918 9.0618 9.0618 9.0800 9.0800 9.3113 9.3113 9.3222 9.3222 10.6478 10.6478 10.6534 10.6534 12.6356 12.6356 12.6818 12.6818 k = 0.5000-0.0000 0.0090 ( 3092 PWs) bands (ev): 1.9435 1.9435 1.9449 1.9449 2.8957 2.8957 2.8975 2.8975 4.7235 4.7235 4.7281 4.7281 5.4341 5.4341 5.4479 5.4479 6.6525 6.6525 6.6886 6.6886 7.3713 7.3713 7.3909 7.3909 8.0252 8.0252 8.0335 8.0335 9.0728 9.0728 9.0818 9.0818 9.3101 9.3101 9.3157 9.3157 10.6527 10.6527 10.6554 10.6554 12.6514 12.6514 12.6749 12.6749 k = 0.5000-0.0000-0.0000 ( 3100 PWs) bands (ev): 1.9430 1.9430 1.9430 1.9430 2.8967 2.8967 2.8972 2.8972 4.7287 4.7287 4.7292 4.7292 5.4383 5.4383 5.4389 5.4389 6.6721 6.6721 6.6726 6.6726 7.3961 7.3961 7.3965 7.3965 8.0091 8.0091 8.0092 8.0092 9.0796 9.0796 9.0796 9.0796 9.3115 9.3115 9.3116 9.3116 10.6550 10.6550 10.6554 10.6554 12.6645 12.6645 12.6648 12.6648 k = 0.5000 0.2521-0.0000 ( 3104 PWs) bands (ev): 1.5022 1.5022 1.5099 1.5099 4.2754 4.2754 4.4046 4.4046 4.6486 4.6486 4.8073 4.8073 5.3023 5.3023 5.5707 5.5707 5.9915 5.9915 6.1253 6.1253 6.9215 6.9215 6.9679 6.9679 7.0842 7.0842 7.0949 7.0949 8.4850 8.4850 8.5278 8.5278 9.2668 9.2668 9.7401 9.7401 10.9680 10.9680 11.0586 11.0586 12.9860 12.9860 13.0625 13.0625 k = 0.5000 0.2521 0.0090 ( 3104 PWs) bands (ev): 1.5031 1.5031 1.5108 1.5108 4.2731 4.2731 4.4022 4.4022 4.6495 4.6495 4.8075 4.8075 5.3037 5.3037 5.5725 5.5725 5.9864 5.9864 6.1194 6.1194 6.9152 6.9152 6.9732 6.9732 7.0849 7.0849 7.1053 7.1053 8.4747 8.4747 8.5235 8.5235 9.2795 9.2795 9.7445 9.7445 10.9705 10.9705 11.0589 11.0589 12.9871 12.9871 13.0638 13.0638 k = 0.5000 0.2521 0.0181 ( 3112 PWs) bands (ev): 1.5058 1.5058 1.5135 1.5135 4.2662 4.2662 4.3951 4.3951 4.6522 4.6522 4.8081 4.8081 5.3077 5.3077 5.5776 5.5776 5.9715 5.9715 6.1025 6.1025 6.9002 6.9002 6.9884 6.9884 7.0869 7.0869 7.1323 7.1323 8.4459 8.4459 8.5107 8.5107 9.3158 9.3158 9.7575 9.7575 10.9778 10.9778 11.0597 11.0597 12.9903 12.9903 13.0677 13.0677 k = 0.5000 0.2521 0.0271 ( 3116 PWs) bands (ev): 1.5102 1.5102 1.5180 1.5180 4.2552 4.2552 4.3835 4.3835 4.6563 4.6563 4.8090 4.8090 5.3139 5.3139 5.5860 5.5860 5.9475 5.9475 6.0765 6.0765 6.8824 6.8824 7.0117 7.0117 7.0902 7.0902 7.1691 7.1691 8.4031 8.4031 8.4902 8.4902 9.3711 9.3711 9.7783 9.7783 10.9900 10.9900 11.0611 11.0611 12.9957 12.9957 13.0744 13.0744 k = 0.5000 0.2521 0.0362 ( 3112 PWs) bands (ev): 1.5164 1.5164 1.5242 1.5242 4.2402 4.2402 4.3677 4.3677 4.6617 4.6617 4.8103 4.8103 5.3217 5.3217 5.5976 5.5976 5.9156 5.9156 6.0440 6.0440 6.8654 6.8654 7.0407 7.0407 7.0950 7.0950 7.2111 7.2111 8.3513 8.3513 8.4632 8.4632 9.4404 9.4404 9.8059 9.8059 11.0070 11.0070 11.0632 11.0632 13.0036 13.0036 13.0839 13.0839 k = 0.5000 0.2521 0.0452 ( 3112 PWs) bands (ev): 1.5242 1.5242 1.5321 1.5321 4.2219 4.2219 4.3480 4.3480 4.6681 4.6681 4.8119 4.8119 5.3301 5.3301 5.6120 5.6120 5.8774 5.8774 6.0080 6.0080 6.8504 6.8504 7.0717 7.0717 7.1023 7.1023 7.2552 7.2552 8.2944 8.2944 8.4310 8.4310 9.5196 9.5196 9.8388 9.8388 11.0290 11.0290 11.0661 11.0661 13.0141 13.0141 13.0964 13.0964 k = 0.5000 0.2521 0.0543 ( 3116 PWs) bands (ev): 1.5337 1.5337 1.5417 1.5417 4.2005 4.2005 4.3250 4.3250 4.6750 4.6750 4.8137 4.8137 5.3378 5.3378 5.6284 5.6284 5.8349 5.8349 5.9714 5.9714 6.8378 6.8378 7.0954 7.0954 7.1189 7.1189 7.2997 7.2997 8.2357 8.2357 8.3949 8.3949 9.6056 9.6056 9.8760 9.8760 11.0557 11.0557 11.0700 11.0700 13.0274 13.0274 13.1123 13.1123 k = 0.5000 0.2521 0.0633 ( 3112 PWs) bands (ev): 1.5447 1.5447 1.5528 1.5528 4.1767 4.1767 4.2989 4.2989 4.6824 4.6824 4.8157 4.8157 5.3433 5.3433 5.6451 5.6451 5.7911 5.7911 5.9371 5.9371 6.8273 6.8273 7.1056 7.1056 7.1492 7.1492 7.3430 7.3430 8.1773 8.1773 8.3562 8.3562 9.6961 9.6961 9.9160 9.9160 11.0751 11.0751 11.0871 11.0871 13.0438 13.0438 13.1316 13.1316 k = 0.5000 0.2521 0.0723 ( 3112 PWs) bands (ev): 1.5571 1.5571 1.5653 1.5653 4.1507 4.1507 4.2701 4.2701 4.6900 4.6900 4.8180 4.8180 5.3450 5.3450 5.6555 5.6555 5.7537 5.7537 5.9079 5.9079 6.8184 6.8184 7.1117 7.1117 7.1813 7.1813 7.3841 7.3841 8.1210 8.1210 8.3160 8.3160 9.7891 9.7891 9.9581 9.9581 11.0818 11.0818 11.1228 11.1228 13.0635 13.0635 13.1548 13.1548 k = 0.5000 0.2521 0.0814 ( 3120 PWs) bands (ev): 1.5708 1.5708 1.5792 1.5792 4.1230 4.1230 4.2391 4.2391 4.6977 4.6977 4.8206 4.8206 5.3412 5.3412 5.6412 5.6412 5.7420 5.7420 5.8862 5.8862 6.8107 6.8107 7.1159 7.1159 7.2119 7.2119 7.4221 7.4221 8.0684 8.0684 8.2754 8.2754 9.8832 9.8832 10.0012 10.0012 11.0905 11.0905 11.1627 11.1627 13.0868 13.0868 13.1818 13.1818 k = 0.5000 0.2521 0.0904 ( 3108 PWs) bands (ev): 1.5858 1.5858 1.5942 1.5942 4.0940 4.0940 4.2063 4.2063 4.7054 4.7054 4.8234 4.8234 5.3308 5.3308 5.6010 5.6010 5.7582 5.7582 5.8737 5.8737 6.8034 6.8034 7.1174 7.1174 7.2398 7.2398 7.4563 7.4563 8.0205 8.0205 8.2353 8.2353 9.9767 9.9767 10.0447 10.0447 11.1018 11.1018 11.2063 11.2063 13.1138 13.1138 13.2130 13.2130 k = 0.5000 0.2521 0.0995 ( 3100 PWs) bands (ev): 1.6018 1.6018 1.6103 1.6103 4.0639 4.0639 4.1719 4.1719 4.7131 4.7131 4.8265 4.8265 5.3136 5.3136 5.5520 5.5520 5.7855 5.7855 5.8711 5.8711 6.7961 6.7961 7.1151 7.1151 7.2652 7.2652 7.4864 7.4864 7.9784 7.9784 8.1964 8.1964 10.0682 10.0682 10.0881 10.0881 11.1164 11.1164 11.2530 11.2530 13.1447 13.1447 13.2482 13.2482 k = 0.5000 0.2521 0.1085 ( 3100 PWs) bands (ev): 1.6187 1.6187 1.6272 1.6272 4.0332 4.0332 4.1364 4.1364 4.7208 4.7208 4.8299 4.8299 5.2902 5.2902 5.5012 5.5012 5.8177 5.8177 5.8780 5.8780 6.7881 6.7881 7.1077 7.1077 7.2884 7.2884 7.5120 7.5120 7.9426 7.9426 8.1593 8.1593 10.1310 10.1310 10.1558 10.1558 11.1350 11.1350 11.3022 11.3022 13.1795 13.1795 13.2874 13.2874 k = 0.5000 0.2521 0.1175 ( 3104 PWs) bands (ev): 1.6362 1.6362 1.6448 1.6448 4.0021 4.0021 4.1002 4.1002 4.7286 4.7286 4.8337 4.8337 5.2622 5.2622 5.4506 5.4506 5.8531 5.8531 5.8932 5.8932 6.7790 6.7790 7.0940 7.0940 7.3102 7.3102 7.5332 7.5332 7.9134 7.9134 8.1243 8.1243 10.1731 10.1731 10.2380 10.2380 11.1586 11.1586 11.3532 11.3532 13.2182 13.2182 13.3303 13.3303 k = 0.5000 0.2521 0.1266 ( 3104 PWs) bands (ev): 1.6543 1.6543 1.6627 1.6627 3.9711 3.9711 4.0635 4.0635 4.7365 4.7365 4.8380 4.8380 5.2311 5.2311 5.4013 5.4013 5.8907 5.8907 5.9151 5.9151 6.7683 6.7683 7.0734 7.0734 7.3316 7.3316 7.5502 7.5502 7.8903 7.8903 8.0917 8.0917 10.2140 10.2140 10.3130 10.3130 11.1882 11.1882 11.4052 11.4052 13.2604 13.2604 13.3763 13.3763 k = 0.5000 0.2521 0.1356 ( 3100 PWs) bands (ev): 1.6725 1.6725 1.6809 1.6809 3.9406 3.9406 4.0269 4.0269 4.7445 4.7445 4.8427 4.8427 5.1985 5.1985 5.3539 5.3539 5.9304 5.9304 5.9424 5.9424 6.7555 6.7555 7.0459 7.0459 7.3530 7.3530 7.5634 7.5634 7.8727 7.8727 8.0614 8.0614 10.2537 10.2537 10.3792 10.3792 11.2243 11.2243 11.4572 11.4572 13.3058 13.3058 13.4247 13.4247 k = 0.5000 0.2521 0.1447 ( 3092 PWs) bands (ev): 1.6908 1.6908 1.6989 1.6989 3.9109 3.9109 3.9908 3.9908 4.7528 4.7528 4.8478 4.8478 5.1655 5.1655 5.3087 5.3087 5.9716 5.9716 5.9738 5.9738 6.7403 6.7403 7.0121 7.0121 7.3749 7.3749 7.5734 7.5734 7.8595 7.8595 8.0332 8.0332 10.2919 10.2919 10.4357 10.4357 11.2672 11.2672 11.5085 11.5085 13.3539 13.3539 13.4743 13.4743 k = 0.5000 0.2521 0.1537 ( 3088 PWs) bands (ev): 1.7087 1.7087 1.7165 1.7165 3.8826 3.8826 3.9556 3.9556 4.7614 4.7614 4.8535 4.8535 5.1332 5.1332 5.2659 5.2659 6.0084 6.0084 6.0143 6.0143 6.7226 6.7226 6.9730 6.9730 7.3975 7.3975 7.5809 7.5809 7.8497 7.8497 8.0071 8.0071 10.3283 10.3283 10.4818 10.4818 11.3165 11.3165 11.5580 11.5580 13.4038 13.4038 13.5239 13.5239 k = 0.5000 0.2521 0.1628 ( 3092 PWs) bands (ev): 1.7261 1.7261 1.7335 1.7335 3.8560 3.8560 3.9218 3.9218 4.7703 4.7703 4.8595 4.8595 5.1023 5.1023 5.2258 5.2258 6.0452 6.0452 6.0580 6.0580 6.7023 6.7023 6.9297 6.9297 7.4205 7.4205 7.5864 7.5864 7.8424 7.8424 7.9825 7.9825 10.3630 10.3630 10.5178 10.5178 11.3708 11.3708 11.6046 11.6046 13.4545 13.4545 13.5719 13.5719 k = 0.5000 0.2521 0.1718 ( 3092 PWs) bands (ev): 1.7425 1.7425 1.7493 1.7493 3.8316 3.8316 3.8900 3.8900 4.7798 4.7798 4.8659 4.8659 5.0736 5.0736 5.1885 5.1885 6.0835 6.0835 6.1025 6.1025 6.6796 6.6796 6.8834 6.8834 7.4438 7.4438 7.5905 7.5905 7.8369 7.8369 7.9593 7.9593 10.3956 10.3956 10.5446 10.5446 11.4285 11.4285 11.6473 11.6473 13.5047 13.5047 13.6164 13.6164 k = 0.5000 0.2521 0.1808 ( 3092 PWs) bands (ev): 1.7577 1.7577 1.7639 1.7639 3.8099 3.8099 3.8605 3.8605 4.7897 4.7897 4.8722 4.8722 5.0475 5.0475 5.1539 5.1539 6.1228 6.1228 6.1472 6.1472 6.6548 6.6548 6.8351 6.8351 7.4671 7.4671 7.5934 7.5934 7.8327 7.8327 7.9374 7.9374 10.4261 10.4261 10.5632 10.5632 11.4871 11.4871 11.6849 11.6849 13.5531 13.5531 13.6557 13.6557 k = 0.5000 0.2521 0.1899 ( 3096 PWs) bands (ev): 1.7713 1.7713 1.7767 1.7767 3.7914 3.7914 3.8339 3.8339 4.8003 4.8003 4.8779 4.8779 5.0251 5.0251 5.1221 5.1221 6.1624 6.1624 6.1915 6.1915 6.6288 6.6288 6.7858 6.7858 7.4899 7.4899 7.5952 7.5952 7.8297 7.8297 7.9167 7.9167 10.4544 10.4544 10.5747 10.5747 11.5446 11.5446 11.7163 11.7163 13.5982 13.5982 13.6884 13.6884 k = 0.5000 0.2521 0.1989 ( 3096 PWs) bands (ev): 1.7831 1.7831 1.7876 1.7876 3.7764 3.7764 3.8106 3.8106 4.8114 4.8114 4.8820 4.8820 5.0075 5.0075 5.0932 5.0932 6.2014 6.2014 6.2343 6.2343 6.6028 6.6028 6.7364 6.7364 7.5117 7.5117 7.5959 7.5959 7.8279 7.8279 7.8973 7.8973 10.4802 10.4802 10.5801 10.5801 11.5986 11.5986 11.7404 11.7404 13.6385 13.6385 13.7135 13.7135 k = 0.5000 0.2521 0.2080 ( 3104 PWs) bands (ev): 1.7927 1.7927 1.7962 1.7962 3.7652 3.7652 3.7911 3.7911 4.8232 4.8232 4.8828 4.8828 4.9964 4.9964 5.0672 5.0672 6.2389 6.2389 6.2732 6.2732 6.5793 6.5793 6.6881 6.6881 7.5320 7.5320 7.5950 7.5950 7.8276 7.8276 7.8796 7.8796 10.5035 10.5035 10.5804 10.5804 11.6472 11.6472 11.7560 11.7560 13.6728 13.6728 13.7305 13.7305 k = 0.5000 0.2521 0.2170 ( 3108 PWs) bands (ev): 1.7999 1.7999 1.8023 1.8023 3.7583 3.7583 3.7756 3.7756 4.8355 4.8355 4.8792 4.8792 4.9932 4.9932 5.0443 5.0443 6.2733 6.2733 6.3042 6.3042 6.5624 6.5624 6.6426 6.6426 7.5500 7.5500 7.5919 7.5919 7.8294 7.8294 7.8639 7.8639 10.5241 10.5241 10.5763 10.5763 11.6887 11.6887 11.7624 11.7624 13.7005 13.7005 13.7394 13.7394 k = 0.5000 0.2521 0.2260 ( 3112 PWs) bands (ev): 1.8046 1.8046 1.8059 1.8059 3.7558 3.7558 3.7645 3.7645 4.8480 4.8480 4.8711 4.8711 4.9978 4.9978 5.0246 5.0246 6.3018 6.3018 6.3213 6.3213 6.5586 6.5586 6.6026 6.6026 7.5653 7.5653 7.5862 7.5862 7.8336 7.8336 7.8509 7.8509 10.5419 10.5419 10.5682 10.5682 11.7218 11.7218 11.7590 11.7590 13.7211 13.7211 13.7407 13.7407 k = 0.5000 0.2521 0.2351 ( 3120 PWs) bands (ev): 1.8064 1.8064 1.8068 1.8068 3.7578 3.7578 3.7579 3.7579 4.8601 4.8601 4.8604 4.8604 5.0086 5.0086 5.0090 5.0090 6.3196 6.3196 6.3200 6.3200 6.5725 6.5725 6.5728 6.5728 7.5772 7.5772 7.5777 7.5777 7.8406 7.8406 7.8408 7.8408 10.5563 10.5563 10.5570 10.5570 11.7454 11.7454 11.7454 11.7454 13.7345 13.7345 13.7346 13.7346 Writing output data file Ge2Pt.save init_run : 0.41s CPU 0.58s WALL ( 1 calls) electrons : 156.10s CPU 159.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 156.08s CPU 159.10s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 448 calls) cegterg : 142.94s CPU 145.35s WALL ( 612 calls) Called by sum_band: Called by *egterg: h_psi : 82.01s CPU 83.64s WALL ( 10367 calls) s_psi : 4.64s CPU 4.84s WALL ( 10367 calls) g_psi : 0.24s CPU 0.26s WALL ( 9307 calls) cdiaghg : 51.06s CPU 52.01s WALL ( 9755 calls) cegterg:over : 5.96s CPU 5.91s WALL ( 9307 calls) cegterg:upda : 4.32s CPU 4.34s WALL ( 9307 calls) cegterg:last : 2.92s CPU 2.92s WALL ( 1956 calls) cdiaghg:chol : 2.82s CPU 2.86s WALL ( 9755 calls) cdiaghg:inve : 1.60s CPU 1.58s WALL ( 9755 calls) cdiaghg:para : 3.00s CPU 3.03s WALL ( 19510 calls) Called by h_psi: h_psi:vloc : 70.24s CPU 71.67s WALL ( 10367 calls) h_psi:vnl : 11.52s CPU 11.74s WALL ( 10367 calls) add_vuspsi : 5.77s CPU 5.79s WALL ( 10367 calls) General routines calbec : 5.73s CPU 5.92s WALL ( 10367 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.27s CPU 64.57s WALL ( 1091132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.20s WALL ( 896 calls) Parallel routines fft_scatter : 27.12s CPU 27.58s WALL ( 1091155 calls) PWSCF : 2m52.07s CPU 3m 9.26s WALL This run was terminated on: 19: 6:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=