Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:45:31 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: ./FeAs2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 28 22 6 1060 712 118 Max 29 23 7 1067 728 125 Sum 1027 793 243 38269 25997 4409 bravais-lattice index = 14 lattice parameter (alat) = 5.4464 a.u. unit-cell volume = 616.8317 (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 = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.446379 celldm(2)= 1.838972 celldm(3)= 2.076194 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 1.838972 0.000000 ) a(3) = ( 0.000000 0.000000 2.076194 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.543782 -0.000000 ) b(3) = ( 0.000000 0.000000 0.481650 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 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= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 12) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1454545 -0.0000000 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2454545 -0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 34) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3545454 -0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 44) = ( 0.3909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 46) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 47) = ( 0.4181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 48) = ( 0.4272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 50) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 51) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 52) = ( 0.4636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 53) = ( 0.4727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 54) = ( 0.4818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 55) = ( 0.4909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0090630 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.0181261 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.0271891 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.0362521 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.0453152 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.0543782 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.0634413 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.0725043 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.0815673 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.0906304 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.0996934 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.1087564 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.1178195 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.1268825 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.1359455 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.1450086 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.1540716 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.1631347 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.1721977 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.1812607 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.1903238 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.1993868 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.2084498 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.2175129 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.2265759 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.2356389 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.2447020 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.2537650 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.2628281 -0.0000000), wk = 0.0021739 k( 87) = ( 0.5000000 0.2718911 -0.0000000), wk = 0.0021739 k( 88) = ( 0.5000000 0.2718911 -0.0000000), wk = 0.0021739 k( 89) = ( 0.4909091 0.2718911 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4818182 0.2718911 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4727273 0.2718911 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4636364 0.2718911 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4545455 0.2718911 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4454546 0.2718911 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4363636 0.2718911 -0.0000000), wk = 0.0021739 k( 96) = ( 0.4272727 0.2718911 -0.0000000), wk = 0.0021739 k( 97) = ( 0.4181818 0.2718911 -0.0000000), wk = 0.0021739 k( 98) = ( 0.4090909 0.2718911 -0.0000000), wk = 0.0021739 k( 99) = ( 0.4000000 0.2718911 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3909091 0.2718911 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3818182 0.2718911 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3727273 0.2718911 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3636364 0.2718911 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3545454 0.2718911 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3454546 0.2718911 -0.0000000), wk = 0.0021739 k( 106) = ( 0.3363636 0.2718911 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3272727 0.2718911 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3181818 0.2718911 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3090909 0.2718911 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3000000 0.2718911 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2909091 0.2718911 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2818182 0.2718911 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2727273 0.2718911 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2636364 0.2718911 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2545455 0.2718911 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2454545 0.2718911 -0.0000000), wk = 0.0021739 k( 117) = ( 0.2363636 0.2718911 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2272727 0.2718911 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2181818 0.2718911 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2090909 0.2718911 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2000000 0.2718911 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1909091 0.2718911 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1818182 0.2718911 -0.0000000), wk = 0.0021739 k( 124) = ( 0.1727273 0.2718911 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1636364 0.2718911 -0.0000000), wk = 0.0021739 k( 126) = ( 0.1545455 0.2718911 -0.0000000), wk = 0.0021739 k( 127) = ( 0.1454545 0.2718911 -0.0000000), wk = 0.0021739 k( 128) = ( 0.1363636 0.2718911 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1272727 0.2718911 -0.0000000), wk = 0.0021739 k( 130) = ( 0.1181818 0.2718911 -0.0000000), wk = 0.0021739 k( 131) = ( 0.1090909 0.2718911 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1000000 0.2718911 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0909091 0.2718911 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0818182 0.2718911 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0727273 0.2718911 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0636364 0.2718911 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0545455 0.2718911 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0454546 0.2718911 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0363636 0.2718911 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0272727 0.2718911 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0181818 0.2718911 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0090909 0.2718911 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.2718911 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.2718911 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.2628281 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.2537650 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.2447020 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2356389 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2265759 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2175129 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2084498 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.1993868 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.1903238 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.1812607 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.1721977 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1631347 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1540716 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1450086 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1359455 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1268825 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.1178195 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.1087564 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0996934 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0906304 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0815673 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0725043 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0634413 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0543782 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0453152 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0362521 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0271891 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0181261 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0000000 0.0090630 -0.0000000), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0089195), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0178389), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0267584), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0356778), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0445973), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.0535167), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0624362), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0713556), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.0802751), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.0891945), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.0981140), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1070334), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1159529), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1248723), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.1337918), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.1427112), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.1516307), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.1605502), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.1694696), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.1783891), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.1873085), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.1962280), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.2051474), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.2140669), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.2229863), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.2319058), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2408252), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2408252), wk = 0.0021739 k( 204) = ( 0.0090909 -0.0000000 0.2408252), wk = 0.0021739 k( 205) = ( 0.0181818 -0.0000000 0.2408252), wk = 0.0021739 k( 206) = ( 0.0272727 -0.0000000 0.2408252), wk = 0.0021739 k( 207) = ( 0.0363636 -0.0000000 0.2408252), wk = 0.0021739 k( 208) = ( 0.0454546 -0.0000000 0.2408252), wk = 0.0021739 k( 209) = ( 0.0545455 -0.0000000 0.2408252), wk = 0.0021739 k( 210) = ( 0.0636364 -0.0000000 0.2408252), wk = 0.0021739 k( 211) = ( 0.0727273 -0.0000000 0.2408252), wk = 0.0021739 k( 212) = ( 0.0818182 -0.0000000 0.2408252), wk = 0.0021739 k( 213) = ( 0.0909091 -0.0000000 0.2408252), wk = 0.0021739 k( 214) = ( 0.1000000 -0.0000000 0.2408252), wk = 0.0021739 k( 215) = ( 0.1090909 -0.0000000 0.2408252), wk = 0.0021739 k( 216) = ( 0.1181818 -0.0000000 0.2408252), wk = 0.0021739 k( 217) = ( 0.1272727 -0.0000000 0.2408252), wk = 0.0021739 k( 218) = ( 0.1363636 -0.0000000 0.2408252), wk = 0.0021739 k( 219) = ( 0.1454545 -0.0000000 0.2408252), wk = 0.0021739 k( 220) = ( 0.1545455 -0.0000000 0.2408252), wk = 0.0021739 k( 221) = ( 0.1636364 -0.0000000 0.2408252), wk = 0.0021739 k( 222) = ( 0.1727273 -0.0000000 0.2408252), wk = 0.0021739 k( 223) = ( 0.1818182 -0.0000000 0.2408252), wk = 0.0021739 k( 224) = ( 0.1909091 -0.0000000 0.2408252), wk = 0.0021739 k( 225) = ( 0.2000000 -0.0000000 0.2408252), wk = 0.0021739 k( 226) = ( 0.2090909 -0.0000000 0.2408252), wk = 0.0021739 k( 227) = ( 0.2181818 -0.0000000 0.2408252), wk = 0.0021739 k( 228) = ( 0.2272727 -0.0000000 0.2408252), wk = 0.0021739 k( 229) = ( 0.2363636 -0.0000000 0.2408252), wk = 0.0021739 k( 230) = ( 0.2454545 -0.0000000 0.2408252), wk = 0.0021739 k( 231) = ( 0.2545455 -0.0000000 0.2408252), wk = 0.0021739 k( 232) = ( 0.2636364 -0.0000000 0.2408252), wk = 0.0021739 k( 233) = ( 0.2727273 -0.0000000 0.2408252), wk = 0.0021739 k( 234) = ( 0.2818182 -0.0000000 0.2408252), wk = 0.0021739 k( 235) = ( 0.2909091 -0.0000000 0.2408252), wk = 0.0021739 k( 236) = ( 0.3000000 -0.0000000 0.2408252), wk = 0.0021739 k( 237) = ( 0.3090909 -0.0000000 0.2408252), wk = 0.0021739 k( 238) = ( 0.3181818 -0.0000000 0.2408252), wk = 0.0021739 k( 239) = ( 0.3272727 -0.0000000 0.2408252), wk = 0.0021739 k( 240) = ( 0.3363636 -0.0000000 0.2408252), wk = 0.0021739 k( 241) = ( 0.3454546 -0.0000000 0.2408252), wk = 0.0021739 k( 242) = ( 0.3545454 -0.0000000 0.2408252), wk = 0.0021739 k( 243) = ( 0.3636364 -0.0000000 0.2408252), wk = 0.0021739 k( 244) = ( 0.3727273 -0.0000000 0.2408252), wk = 0.0021739 k( 245) = ( 0.3818182 -0.0000000 0.2408252), wk = 0.0021739 k( 246) = ( 0.3909091 -0.0000000 0.2408252), wk = 0.0021739 k( 247) = ( 0.4000000 -0.0000000 0.2408252), wk = 0.0021739 k( 248) = ( 0.4090909 -0.0000000 0.2408252), wk = 0.0021739 k( 249) = ( 0.4181818 -0.0000000 0.2408252), wk = 0.0021739 k( 250) = ( 0.4272727 -0.0000000 0.2408252), wk = 0.0021739 k( 251) = ( 0.4363636 -0.0000000 0.2408252), wk = 0.0021739 k( 252) = ( 0.4454546 -0.0000000 0.2408252), wk = 0.0021739 k( 253) = ( 0.4545455 -0.0000000 0.2408252), wk = 0.0021739 k( 254) = ( 0.4636364 -0.0000000 0.2408252), wk = 0.0021739 k( 255) = ( 0.4727273 -0.0000000 0.2408252), wk = 0.0021739 k( 256) = ( 0.4818182 -0.0000000 0.2408252), wk = 0.0021739 k( 257) = ( 0.4909091 -0.0000000 0.2408252), wk = 0.0021739 k( 258) = ( 0.5000000 -0.0000000 0.2408252), wk = 0.0021739 k( 259) = ( 0.5000000 -0.0000000 0.2408252), wk = 0.0021739 k( 260) = ( 0.5000000 0.0090630 0.2408252), wk = 0.0021739 k( 261) = ( 0.5000000 0.0181261 0.2408252), wk = 0.0021739 k( 262) = ( 0.5000000 0.0271891 0.2408252), wk = 0.0021739 k( 263) = ( 0.5000000 0.0362521 0.2408252), wk = 0.0021739 k( 264) = ( 0.5000000 0.0453152 0.2408252), wk = 0.0021739 k( 265) = ( 0.5000000 0.0543782 0.2408252), wk = 0.0021739 k( 266) = ( 0.5000000 0.0634413 0.2408252), wk = 0.0021739 k( 267) = ( 0.5000000 0.0725043 0.2408252), wk = 0.0021739 k( 268) = ( 0.5000000 0.0815673 0.2408252), wk = 0.0021739 k( 269) = ( 0.5000000 0.0906304 0.2408252), wk = 0.0021739 k( 270) = ( 0.5000000 0.0996934 0.2408252), wk = 0.0021739 k( 271) = ( 0.5000000 0.1087564 0.2408252), wk = 0.0021739 k( 272) = ( 0.5000000 0.1178195 0.2408252), wk = 0.0021739 k( 273) = ( 0.5000000 0.1268825 0.2408252), wk = 0.0021739 k( 274) = ( 0.5000000 0.1359455 0.2408252), wk = 0.0021739 k( 275) = ( 0.5000000 0.1450086 0.2408252), wk = 0.0021739 k( 276) = ( 0.5000000 0.1540716 0.2408252), wk = 0.0021739 k( 277) = ( 0.5000000 0.1631347 0.2408252), wk = 0.0021739 k( 278) = ( 0.5000000 0.1721977 0.2408252), wk = 0.0021739 k( 279) = ( 0.5000000 0.1812607 0.2408252), wk = 0.0021739 k( 280) = ( 0.5000000 0.1903238 0.2408252), wk = 0.0021739 k( 281) = ( 0.5000000 0.1993868 0.2408252), wk = 0.0021739 k( 282) = ( 0.5000000 0.2084498 0.2408252), wk = 0.0021739 k( 283) = ( 0.5000000 0.2175129 0.2408252), wk = 0.0021739 k( 284) = ( 0.5000000 0.2265759 0.2408252), wk = 0.0021739 k( 285) = ( 0.5000000 0.2356389 0.2408252), wk = 0.0021739 k( 286) = ( 0.5000000 0.2447020 0.2408252), wk = 0.0021739 k( 287) = ( 0.5000000 0.2537650 0.2408252), wk = 0.0021739 k( 288) = ( 0.5000000 0.2628281 0.2408252), wk = 0.0021739 k( 289) = ( 0.5000000 0.2718911 0.2408252), wk = 0.0021739 k( 290) = ( 0.5000000 0.2718911 0.2408252), wk = 0.0021739 k( 291) = ( 0.4909091 0.2718911 0.2408252), wk = 0.0021739 k( 292) = ( 0.4818182 0.2718911 0.2408252), wk = 0.0021739 k( 293) = ( 0.4727273 0.2718911 0.2408252), wk = 0.0021739 k( 294) = ( 0.4636364 0.2718911 0.2408252), wk = 0.0021739 k( 295) = ( 0.4545455 0.2718911 0.2408252), wk = 0.0021739 k( 296) = ( 0.4454546 0.2718911 0.2408252), wk = 0.0021739 k( 297) = ( 0.4363636 0.2718911 0.2408252), wk = 0.0021739 k( 298) = ( 0.4272727 0.2718911 0.2408252), wk = 0.0021739 k( 299) = ( 0.4181818 0.2718911 0.2408252), wk = 0.0021739 k( 300) = ( 0.4090909 0.2718911 0.2408252), wk = 0.0021739 k( 301) = ( 0.4000000 0.2718911 0.2408252), wk = 0.0021739 k( 302) = ( 0.3909091 0.2718911 0.2408252), wk = 0.0021739 k( 303) = ( 0.3818182 0.2718911 0.2408252), wk = 0.0021739 k( 304) = ( 0.3727273 0.2718911 0.2408252), wk = 0.0021739 k( 305) = ( 0.3636364 0.2718911 0.2408252), wk = 0.0021739 k( 306) = ( 0.3545454 0.2718911 0.2408252), wk = 0.0021739 k( 307) = ( 0.3454546 0.2718911 0.2408252), wk = 0.0021739 k( 308) = ( 0.3363636 0.2718911 0.2408252), wk = 0.0021739 k( 309) = ( 0.3272727 0.2718911 0.2408252), wk = 0.0021739 k( 310) = ( 0.3181818 0.2718911 0.2408252), wk = 0.0021739 k( 311) = ( 0.3090909 0.2718911 0.2408252), wk = 0.0021739 k( 312) = ( 0.3000000 0.2718911 0.2408252), wk = 0.0021739 k( 313) = ( 0.2909091 0.2718911 0.2408252), wk = 0.0021739 k( 314) = ( 0.2818182 0.2718911 0.2408252), wk = 0.0021739 k( 315) = ( 0.2727273 0.2718911 0.2408252), wk = 0.0021739 k( 316) = ( 0.2636364 0.2718911 0.2408252), wk = 0.0021739 k( 317) = ( 0.2545455 0.2718911 0.2408252), wk = 0.0021739 k( 318) = ( 0.2454545 0.2718911 0.2408252), wk = 0.0021739 k( 319) = ( 0.2363636 0.2718911 0.2408252), wk = 0.0021739 k( 320) = ( 0.2272727 0.2718911 0.2408252), wk = 0.0021739 k( 321) = ( 0.2181818 0.2718911 0.2408252), wk = 0.0021739 k( 322) = ( 0.2090909 0.2718911 0.2408252), wk = 0.0021739 k( 323) = ( 0.2000000 0.2718911 0.2408252), wk = 0.0021739 k( 324) = ( 0.1909091 0.2718911 0.2408252), wk = 0.0021739 k( 325) = ( 0.1818182 0.2718911 0.2408252), wk = 0.0021739 k( 326) = ( 0.1727273 0.2718911 0.2408252), wk = 0.0021739 k( 327) = ( 0.1636364 0.2718911 0.2408252), wk = 0.0021739 k( 328) = ( 0.1545455 0.2718911 0.2408252), wk = 0.0021739 k( 329) = ( 0.1454545 0.2718911 0.2408252), wk = 0.0021739 k( 330) = ( 0.1363636 0.2718911 0.2408252), wk = 0.0021739 k( 331) = ( 0.1272727 0.2718911 0.2408252), wk = 0.0021739 k( 332) = ( 0.1181818 0.2718911 0.2408252), wk = 0.0021739 k( 333) = ( 0.1090909 0.2718911 0.2408252), wk = 0.0021739 k( 334) = ( 0.1000000 0.2718911 0.2408252), wk = 0.0021739 k( 335) = ( 0.0909091 0.2718911 0.2408252), wk = 0.0021739 k( 336) = ( 0.0818182 0.2718911 0.2408252), wk = 0.0021739 k( 337) = ( 0.0727273 0.2718911 0.2408252), wk = 0.0021739 k( 338) = ( 0.0636364 0.2718911 0.2408252), wk = 0.0021739 k( 339) = ( 0.0545455 0.2718911 0.2408252), wk = 0.0021739 k( 340) = ( 0.0454546 0.2718911 0.2408252), wk = 0.0021739 k( 341) = ( 0.0363636 0.2718911 0.2408252), wk = 0.0021739 k( 342) = ( 0.0272727 0.2718911 0.2408252), wk = 0.0021739 k( 343) = ( 0.0181818 0.2718911 0.2408252), wk = 0.0021739 k( 344) = ( 0.0090909 0.2718911 0.2408252), wk = 0.0021739 k( 345) = ( 0.0000000 0.2718911 0.2408252), wk = 0.0021739 k( 346) = ( 0.0000000 0.2718911 0.2408252), wk = 0.0021739 k( 347) = ( 0.0000000 0.2628281 0.2408252), wk = 0.0021739 k( 348) = ( 0.0000000 0.2537650 0.2408252), wk = 0.0021739 k( 349) = ( 0.0000000 0.2447020 0.2408252), wk = 0.0021739 k( 350) = ( 0.0000000 0.2356389 0.2408252), wk = 0.0021739 k( 351) = ( 0.0000000 0.2265759 0.2408252), wk = 0.0021739 k( 352) = ( 0.0000000 0.2175129 0.2408252), wk = 0.0021739 k( 353) = ( 0.0000000 0.2084498 0.2408252), wk = 0.0021739 k( 354) = ( 0.0000000 0.1993868 0.2408252), wk = 0.0021739 k( 355) = ( 0.0000000 0.1903238 0.2408252), wk = 0.0021739 k( 356) = ( 0.0000000 0.1812607 0.2408252), wk = 0.0021739 k( 357) = ( 0.0000000 0.1721977 0.2408252), wk = 0.0021739 k( 358) = ( 0.0000000 0.1631347 0.2408252), wk = 0.0021739 k( 359) = ( 0.0000000 0.1540716 0.2408252), wk = 0.0021739 k( 360) = ( 0.0000000 0.1450086 0.2408252), wk = 0.0021739 k( 361) = ( 0.0000000 0.1359455 0.2408252), wk = 0.0021739 k( 362) = ( 0.0000000 0.1268825 0.2408252), wk = 0.0021739 k( 363) = ( 0.0000000 0.1178195 0.2408252), wk = 0.0021739 k( 364) = ( 0.0000000 0.1087564 0.2408252), wk = 0.0021739 k( 365) = ( 0.0000000 0.0996934 0.2408252), wk = 0.0021739 k( 366) = ( 0.0000000 0.0906304 0.2408252), wk = 0.0021739 k( 367) = ( 0.0000000 0.0815673 0.2408252), wk = 0.0021739 k( 368) = ( 0.0000000 0.0725043 0.2408252), wk = 0.0021739 k( 369) = ( 0.0000000 0.0634413 0.2408252), wk = 0.0021739 k( 370) = ( 0.0000000 0.0543782 0.2408252), wk = 0.0021739 k( 371) = ( 0.0000000 0.0453152 0.2408252), wk = 0.0021739 k( 372) = ( 0.0000000 0.0362521 0.2408252), wk = 0.0021739 k( 373) = ( 0.0000000 0.0271891 0.2408252), wk = 0.0021739 k( 374) = ( 0.0000000 0.0181261 0.2408252), wk = 0.0021739 k( 375) = ( 0.0000000 0.0090630 0.2408252), wk = 0.0021739 k( 376) = ( 0.0000000 0.0000000 0.2408252), wk = 0.0021739 k( 377) = ( 0.0000000 0.2718911 -0.0000000), wk = 0.0021739 k( 378) = ( 0.0000000 0.2718911 0.0089195), wk = 0.0021739 k( 379) = ( 0.0000000 0.2718911 0.0178389), wk = 0.0021739 k( 380) = ( 0.0000000 0.2718911 0.0267584), wk = 0.0021739 k( 381) = ( 0.0000000 0.2718911 0.0356778), wk = 0.0021739 k( 382) = ( 0.0000000 0.2718911 0.0445973), wk = 0.0021739 k( 383) = ( 0.0000000 0.2718911 0.0535167), wk = 0.0021739 k( 384) = ( 0.0000000 0.2718911 0.0624362), wk = 0.0021739 k( 385) = ( 0.0000000 0.2718911 0.0713556), wk = 0.0021739 k( 386) = ( 0.0000000 0.2718911 0.0802751), wk = 0.0021739 k( 387) = ( 0.0000000 0.2718911 0.0891945), wk = 0.0021739 k( 388) = ( 0.0000000 0.2718911 0.0981140), wk = 0.0021739 k( 389) = ( 0.0000000 0.2718911 0.1070334), wk = 0.0021739 k( 390) = ( 0.0000000 0.2718911 0.1159529), wk = 0.0021739 k( 391) = ( 0.0000000 0.2718911 0.1248723), wk = 0.0021739 k( 392) = ( 0.0000000 0.2718911 0.1337918), wk = 0.0021739 k( 393) = ( 0.0000000 0.2718911 0.1427112), wk = 0.0021739 k( 394) = ( 0.0000000 0.2718911 0.1516307), wk = 0.0021739 k( 395) = ( 0.0000000 0.2718911 0.1605502), wk = 0.0021739 k( 396) = ( 0.0000000 0.2718911 0.1694696), wk = 0.0021739 k( 397) = ( 0.0000000 0.2718911 0.1783891), wk = 0.0021739 k( 398) = ( 0.0000000 0.2718911 0.1873085), wk = 0.0021739 k( 399) = ( 0.0000000 0.2718911 0.1962280), wk = 0.0021739 k( 400) = ( 0.0000000 0.2718911 0.2051474), wk = 0.0021739 k( 401) = ( 0.0000000 0.2718911 0.2140669), wk = 0.0021739 k( 402) = ( 0.0000000 0.2718911 0.2229863), wk = 0.0021739 k( 403) = ( 0.0000000 0.2718911 0.2319058), wk = 0.0021739 k( 404) = ( 0.0000000 0.2718911 0.2408252), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.2408252), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.2319058), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.2229863), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.2140669), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.2051474), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.1962280), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.1873085), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.1783891), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.1694696), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.1605502), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.1516307), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1427112), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1337918), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1248723), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1159529), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1070334), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.0981140), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.0891945), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.0802751), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.0713556), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.0624362), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0535167), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0445973), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0356778), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0267584), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 0.0178389), wk = 0.0021739 k( 431) = ( 0.5000000 -0.0000000 0.0089195), wk = 0.0021739 k( 432) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 433) = ( 0.5000000 0.2718911 -0.0000000), wk = 0.0021739 k( 434) = ( 0.5000000 0.2718911 0.0089195), wk = 0.0021739 k( 435) = ( 0.5000000 0.2718911 0.0178389), wk = 0.0021739 k( 436) = ( 0.5000000 0.2718911 0.0267584), wk = 0.0021739 k( 437) = ( 0.5000000 0.2718911 0.0356778), wk = 0.0021739 k( 438) = ( 0.5000000 0.2718911 0.0445973), wk = 0.0021739 k( 439) = ( 0.5000000 0.2718911 0.0535167), wk = 0.0021739 k( 440) = ( 0.5000000 0.2718911 0.0624362), wk = 0.0021739 k( 441) = ( 0.5000000 0.2718911 0.0713556), wk = 0.0021739 k( 442) = ( 0.5000000 0.2718911 0.0802751), wk = 0.0021739 k( 443) = ( 0.5000000 0.2718911 0.0891945), wk = 0.0021739 k( 444) = ( 0.5000000 0.2718911 0.0981140), wk = 0.0021739 k( 445) = ( 0.5000000 0.2718911 0.1070334), wk = 0.0021739 k( 446) = ( 0.5000000 0.2718911 0.1159529), wk = 0.0021739 k( 447) = ( 0.5000000 0.2718911 0.1248723), wk = 0.0021739 k( 448) = ( 0.5000000 0.2718911 0.1337918), wk = 0.0021739 k( 449) = ( 0.5000000 0.2718911 0.1427112), wk = 0.0021739 k( 450) = ( 0.5000000 0.2718911 0.1516307), wk = 0.0021739 k( 451) = ( 0.5000000 0.2718911 0.1605502), wk = 0.0021739 k( 452) = ( 0.5000000 0.2718911 0.1694696), wk = 0.0021739 k( 453) = ( 0.5000000 0.2718911 0.1783891), wk = 0.0021739 k( 454) = ( 0.5000000 0.2718911 0.1873085), wk = 0.0021739 k( 455) = ( 0.5000000 0.2718911 0.1962280), wk = 0.0021739 k( 456) = ( 0.5000000 0.2718911 0.2051474), wk = 0.0021739 k( 457) = ( 0.5000000 0.2718911 0.2140669), wk = 0.0021739 k( 458) = ( 0.5000000 0.2718911 0.2229863), wk = 0.0021739 k( 459) = ( 0.5000000 0.2718911 0.2319058), wk = 0.0021739 k( 460) = ( 0.5000000 0.2718911 0.2408252), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0090909 0.0000000 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0181818 0.0000000 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0363636 0.0000000 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0636364 -0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0021739 k( 16) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1454545 -0.0000000 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0021739 k( 24) = ( 0.2090909 -0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2454545 -0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 34) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3545454 -0.0000000 0.0000000), wk = 0.0021739 k( 41) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3727273 -0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 44) = ( 0.3909091 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0021739 k( 47) = ( 0.4181818 -0.0000000 0.0000000), wk = 0.0021739 k( 48) = ( 0.4272727 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0021739 k( 50) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0021739 k( 51) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0021739 k( 52) = ( 0.4636364 -0.0000000 -0.0000000), wk = 0.0021739 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0021739 k( 54) = ( 0.4818182 -0.0000000 -0.0000000), wk = 0.0021739 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0166667 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.0500000 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.0666667 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.0833333 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1000000 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1166667 0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.1833333 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2166667 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2666667 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2833333 0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.3166667 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.3500000 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.3833333 0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.4166667 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.4500000 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.4666667 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.4833333 -0.0000000), wk = 0.0021739 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 89) = ( 0.4909091 0.5000000 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4818182 0.5000000 0.0000000), wk = 0.0021739 k( 91) = ( 0.4727273 0.5000000 0.0000000), wk = 0.0021739 k( 92) = ( 0.4636364 0.5000000 0.0000000), wk = 0.0021739 k( 93) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0021739 k( 94) = ( 0.4454546 0.5000000 0.0000000), wk = 0.0021739 k( 95) = ( 0.4363636 0.5000000 0.0000000), wk = 0.0021739 k( 96) = ( 0.4272727 0.5000000 -0.0000000), wk = 0.0021739 k( 97) = ( 0.4181818 0.5000000 -0.0000000), wk = 0.0021739 k( 98) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0021739 k( 99) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0021739 k( 100) = ( 0.3909091 0.5000000 0.0000000), wk = 0.0021739 k( 101) = ( 0.3818182 0.5000000 0.0000000), wk = 0.0021739 k( 102) = ( 0.3727273 0.5000000 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3545454 0.5000000 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0021739 k( 106) = ( 0.3363636 0.5000000 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3272727 0.5000000 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2909091 0.5000000 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2818182 0.5000000 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2636364 0.5000000 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2545455 0.5000000 0.0000000), wk = 0.0021739 k( 116) = ( 0.2454545 0.5000000 -0.0000000), wk = 0.0021739 k( 117) = ( 0.2363636 0.5000000 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2181818 0.5000000 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2090909 0.5000000 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1909091 0.5000000 0.0000000), wk = 0.0021739 k( 123) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0021739 k( 124) = ( 0.1727273 0.5000000 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1636364 0.5000000 -0.0000000), wk = 0.0021739 k( 126) = ( 0.1545455 0.5000000 -0.0000000), wk = 0.0021739 k( 127) = ( 0.1454545 0.5000000 -0.0000000), wk = 0.0021739 k( 128) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1272727 0.5000000 -0.0000000), wk = 0.0021739 k( 130) = ( 0.1181818 0.5000000 -0.0000000), wk = 0.0021739 k( 131) = ( 0.1090909 0.5000000 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0818182 0.5000000 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0727273 0.5000000 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0636364 0.5000000 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0545455 0.5000000 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0363636 0.5000000 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0272727 0.5000000 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0181818 0.5000000 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0090909 0.5000000 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 204) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0021739 k( 205) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0021739 k( 206) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0021739 k( 207) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0021739 k( 208) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0021739 k( 209) = ( 0.0545455 -0.0000000 0.5000000), wk = 0.0021739 k( 210) = ( 0.0636364 -0.0000000 0.5000000), wk = 0.0021739 k( 211) = ( 0.0727273 -0.0000000 0.5000000), wk = 0.0021739 k( 212) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.1181818 -0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.1272727 -0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.1454545 -0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.1545455 -0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.1727273 -0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.1909091 -0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.2090909 -0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.2363636 -0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.2454545 -0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.2545455 -0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.2636364 -0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.2818182 -0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.3363636 -0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.3454546 -0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.3545454 -0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.3727273 -0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.3818182 -0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.3909091 -0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.4181818 -0.0000000 0.5000000), wk = 0.0021739 k( 250) = ( 0.4272727 -0.0000000 0.5000000), wk = 0.0021739 k( 251) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0021739 k( 252) = ( 0.4454546 -0.0000000 0.5000000), wk = 0.0021739 k( 253) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0021739 k( 254) = ( 0.4636364 -0.0000000 0.5000000), wk = 0.0021739 k( 255) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0021739 k( 256) = ( 0.4818182 -0.0000000 0.5000000), wk = 0.0021739 k( 257) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0021739 k( 258) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021739 k( 259) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021739 k( 260) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0021739 k( 261) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0021739 k( 262) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0021739 k( 263) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0021739 k( 264) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0021739 k( 265) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0021739 k( 266) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0021739 k( 267) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0021739 k( 268) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0021739 k( 269) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0021739 k( 270) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0021739 k( 271) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0021739 k( 272) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0021739 k( 273) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0021739 k( 274) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0021739 k( 275) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0021739 k( 276) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0021739 k( 277) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0021739 k( 278) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0021739 k( 279) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0021739 k( 280) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0021739 k( 281) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0021739 k( 282) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0021739 k( 283) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0021739 k( 284) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0021739 k( 285) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0021739 k( 286) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0021739 k( 287) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0021739 k( 288) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0021739 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 290) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 291) = ( 0.4909091 0.5000000 0.5000000), wk = 0.0021739 k( 292) = ( 0.4818182 0.5000000 0.5000000), wk = 0.0021739 k( 293) = ( 0.4727273 0.5000000 0.5000000), wk = 0.0021739 k( 294) = ( 0.4636364 0.5000000 0.5000000), wk = 0.0021739 k( 295) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0021739 k( 296) = ( 0.4454546 0.5000000 0.5000000), wk = 0.0021739 k( 297) = ( 0.4363636 0.5000000 0.5000000), wk = 0.0021739 k( 298) = ( 0.4272727 0.5000000 0.5000000), wk = 0.0021739 k( 299) = ( 0.4181818 0.5000000 0.5000000), wk = 0.0021739 k( 300) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0021739 k( 301) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0021739 k( 302) = ( 0.3909091 0.5000000 0.5000000), wk = 0.0021739 k( 303) = ( 0.3818182 0.5000000 0.5000000), wk = 0.0021739 k( 304) = ( 0.3727273 0.5000000 0.5000000), wk = 0.0021739 k( 305) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0021739 k( 306) = ( 0.3545454 0.5000000 0.5000000), wk = 0.0021739 k( 307) = ( 0.3454546 0.5000000 0.5000000), wk = 0.0021739 k( 308) = ( 0.3363636 0.5000000 0.5000000), wk = 0.0021739 k( 309) = ( 0.3272727 0.5000000 0.5000000), wk = 0.0021739 k( 310) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0021739 k( 311) = ( 0.3090909 0.5000000 0.5000000), wk = 0.0021739 k( 312) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0021739 k( 313) = ( 0.2909091 0.5000000 0.5000000), wk = 0.0021739 k( 314) = ( 0.2818182 0.5000000 0.5000000), wk = 0.0021739 k( 315) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0021739 k( 316) = ( 0.2636364 0.5000000 0.5000000), wk = 0.0021739 k( 317) = ( 0.2545455 0.5000000 0.5000000), wk = 0.0021739 k( 318) = ( 0.2454545 0.5000000 0.5000000), wk = 0.0021739 k( 319) = ( 0.2363636 0.5000000 0.5000000), wk = 0.0021739 k( 320) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0021739 k( 321) = ( 0.2181818 0.5000000 0.5000000), wk = 0.0021739 k( 322) = ( 0.2090909 0.5000000 0.5000000), wk = 0.0021739 k( 323) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0021739 k( 324) = ( 0.1909091 0.5000000 0.5000000), wk = 0.0021739 k( 325) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0021739 k( 326) = ( 0.1727273 0.5000000 0.5000000), wk = 0.0021739 k( 327) = ( 0.1636364 0.5000000 0.5000000), wk = 0.0021739 k( 328) = ( 0.1545455 0.5000000 0.5000000), wk = 0.0021739 k( 329) = ( 0.1454545 0.5000000 0.5000000), wk = 0.0021739 k( 330) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0021739 k( 331) = ( 0.1272727 0.5000000 0.5000000), wk = 0.0021739 k( 332) = ( 0.1181818 0.5000000 0.5000000), wk = 0.0021739 k( 333) = ( 0.1090909 0.5000000 0.5000000), wk = 0.0021739 k( 334) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0021739 k( 335) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0021739 k( 336) = ( 0.0818182 0.5000000 0.5000000), wk = 0.0021739 k( 337) = ( 0.0727273 0.5000000 0.5000000), wk = 0.0021739 k( 338) = ( 0.0636364 0.5000000 0.5000000), wk = 0.0021739 k( 339) = ( 0.0545455 0.5000000 0.5000000), wk = 0.0021739 k( 340) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0021739 k( 341) = ( 0.0363636 0.5000000 0.5000000), wk = 0.0021739 k( 342) = ( 0.0272727 0.5000000 0.5000000), wk = 0.0021739 k( 343) = ( 0.0181818 0.5000000 0.5000000), wk = 0.0021739 k( 344) = ( 0.0090909 0.5000000 0.5000000), wk = 0.0021739 k( 345) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 347) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0021739 k( 348) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0021739 k( 349) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0021739 k( 350) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0021739 k( 351) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0021739 k( 352) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0021739 k( 353) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0021739 k( 354) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0021739 k( 355) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0021739 k( 356) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021739 k( 357) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0021739 k( 358) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0021739 k( 359) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0021739 k( 360) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0021739 k( 361) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0021739 k( 362) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0021739 k( 363) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0021739 k( 364) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0021739 k( 365) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0021739 k( 366) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021739 k( 367) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0021739 k( 368) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0021739 k( 369) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0021739 k( 370) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0021739 k( 371) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0021739 k( 373) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0021739 k( 374) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0021739 k( 375) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0021739 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 377) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 378) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0021739 k( 379) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0021739 k( 380) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0021739 k( 381) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0021739 k( 382) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0021739 k( 383) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0021739 k( 384) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0021739 k( 385) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0021739 k( 386) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021739 k( 387) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0021739 k( 388) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0021739 k( 389) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0021739 k( 390) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0021739 k( 391) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0021739 k( 392) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0021739 k( 393) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0021739 k( 394) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0021739 k( 395) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021739 k( 396) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0021739 k( 397) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0021739 k( 398) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0021739 k( 399) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0021739 k( 400) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0021739 k( 401) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0021739 k( 402) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0021739 k( 403) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0021739 k( 404) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.3518519), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.1481482), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0021739 k( 431) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0021739 k( 432) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 433) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 434) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0021739 k( 435) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0021739 k( 436) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0021739 k( 437) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0021739 k( 438) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0021739 k( 439) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0021739 k( 440) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0021739 k( 441) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0021739 k( 442) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0021739 k( 443) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0021739 k( 444) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0021739 k( 445) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0021739 k( 446) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0021739 k( 447) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0021739 k( 448) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0021739 k( 449) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0021739 k( 450) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0021739 k( 451) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0021739 k( 452) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0021739 k( 453) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0021739 k( 454) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0021739 k( 455) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0021739 k( 456) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0021739 k( 457) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0021739 k( 458) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0021739 k( 459) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0021739 k( 460) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 38269 G-vectors FFT dimensions: ( 27, 50, 60) Smooth grid: 25997 G-vectors FFT dimensions: ( 24, 45, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 212, 44) NL pseudopotentials 0.20 Mb ( 106, 124) Each V/rho on FFT grid 0.04 Mb ( 2700) Each G-vector array 0.01 Mb ( 1065) G-vector shells 0.00 Mb ( 547) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 212, 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 : ./FeAs2.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 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.7 secs Computing kpt #: 17 total cpu time spent up to now is 7.0 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.2 secs Computing kpt #: 28 total cpu time spent up to now is 10.6 secs Computing kpt #: 29 total cpu time spent up to now is 10.9 secs Computing kpt #: 30 total cpu time spent up to now is 11.3 secs Computing kpt #: 31 total cpu time spent up to now is 11.7 secs Computing kpt #: 32 total cpu time spent up to now is 12.0 secs Computing kpt #: 33 total cpu time spent up to now is 12.4 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 13.0 secs Computing kpt #: 36 total cpu time spent up to now is 13.3 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 13.8 secs Computing kpt #: 39 total cpu time spent up to now is 14.1 secs Computing kpt #: 40 total cpu time spent up to now is 14.4 secs Computing kpt #: 41 total cpu time spent up to now is 14.7 secs Computing kpt #: 42 total cpu time spent up to now is 15.0 secs Computing kpt #: 43 total cpu time spent up to now is 15.3 secs Computing kpt #: 44 total cpu time spent up to now is 15.5 secs Computing kpt #: 45 total cpu time spent up to now is 15.8 secs Computing kpt #: 46 total cpu time spent up to now is 16.1 secs Computing kpt #: 47 total cpu time spent up to now is 16.4 secs Computing kpt #: 48 total cpu time spent up to now is 16.7 secs Computing kpt #: 49 total cpu time spent up to now is 17.0 secs Computing kpt #: 50 total cpu time spent up to now is 17.3 secs Computing kpt #: 51 total cpu time spent up to now is 17.6 secs Computing kpt #: 52 total cpu time spent up to now is 18.0 secs Computing kpt #: 53 total cpu time spent up to now is 18.3 secs Computing kpt #: 54 total cpu time spent up to now is 18.6 secs Computing kpt #: 55 total cpu time spent up to now is 18.9 secs Computing kpt #: 56 total cpu time spent up to now is 19.2 secs Computing kpt #: 57 total cpu time spent up to now is 19.5 secs Computing kpt #: 58 total cpu time spent up to now is 19.8 secs Computing kpt #: 59 total cpu time spent up to now is 20.1 secs Computing kpt #: 60 total cpu time spent up to now is 20.4 secs Computing kpt #: 61 total cpu time spent up to now is 20.7 secs Computing kpt #: 62 total cpu time spent up to now is 21.0 secs Computing kpt #: 63 total cpu time spent up to now is 21.3 secs Computing kpt #: 64 total cpu time spent up to now is 21.6 secs Computing kpt #: 65 total cpu time spent up to now is 22.0 secs Computing kpt #: 66 total cpu time spent up to now is 22.3 secs Computing kpt #: 67 total cpu time spent up to now is 22.6 secs Computing kpt #: 68 total cpu time spent up to now is 22.9 secs Computing kpt #: 69 total cpu time spent up to now is 23.2 secs Computing kpt #: 70 total cpu time spent up to now is 23.5 secs Computing kpt #: 71 total cpu time spent up to now is 23.8 secs Computing kpt #: 72 total cpu time spent up to now is 24.1 secs Computing kpt #: 73 total cpu time spent up to now is 24.4 secs Computing kpt #: 74 total cpu time spent up to now is 24.7 secs Computing kpt #: 75 total cpu time spent up to now is 25.0 secs Computing kpt #: 76 total cpu time spent up to now is 25.3 secs Computing kpt #: 77 total cpu time spent up to now is 25.6 secs Computing kpt #: 78 total cpu time spent up to now is 25.9 secs Computing kpt #: 79 total cpu time spent up to now is 26.1 secs Computing kpt #: 80 total cpu time spent up to now is 26.4 secs Computing kpt #: 81 total cpu time spent up to now is 26.7 secs Computing kpt #: 82 total cpu time spent up to now is 26.9 secs Computing kpt #: 83 total cpu time spent up to now is 27.2 secs Computing kpt #: 84 total cpu time spent up to now is 27.5 secs Computing kpt #: 85 total cpu time spent up to now is 27.7 secs Computing kpt #: 86 total cpu time spent up to now is 28.0 secs Computing kpt #: 87 total cpu time spent up to now is 28.2 secs Computing kpt #: 88 total cpu time spent up to now is 28.4 secs Computing kpt #: 89 total cpu time spent up to now is 28.7 secs Computing kpt #: 90 total cpu time spent up to now is 28.9 secs Computing kpt #: 91 total cpu time spent up to now is 29.2 secs Computing kpt #: 92 total cpu time spent up to now is 29.4 secs Computing kpt #: 93 total cpu time spent up to now is 29.7 secs Computing kpt #: 94 total cpu time spent up to now is 29.9 secs Computing kpt #: 95 total cpu time spent up to now is 30.2 secs Computing kpt #: 96 total cpu time spent up to now is 30.5 secs Computing kpt #: 97 total cpu time spent up to now is 30.7 secs Computing kpt #: 98 total cpu time spent up to now is 31.0 secs Computing kpt #: 99 total cpu time spent up to now is 31.2 secs Computing kpt #: 100 total cpu time spent up to now is 31.5 secs Computing kpt #: 101 total cpu time spent up to now is 31.7 secs Computing kpt #: 102 total cpu time spent up to now is 32.0 secs Computing kpt #: 103 total cpu time spent up to now is 32.3 secs Computing kpt #: 104 total cpu time spent up to now is 32.5 secs Computing kpt #: 105 total cpu time spent up to now is 32.8 secs Computing kpt #: 106 total cpu time spent up to now is 33.1 secs Computing kpt #: 107 total cpu time spent up to now is 33.4 secs Computing kpt #: 108 total cpu time spent up to now is 33.6 secs Computing kpt #: 109 total cpu time spent up to now is 33.9 secs Computing kpt #: 110 total cpu time spent up to now is 34.2 secs Computing kpt #: 111 total cpu time spent up to now is 34.5 secs Computing kpt #: 112 total cpu time spent up to now is 34.8 secs Computing kpt #: 113 total cpu time spent up to now is 35.1 secs Computing kpt #: 114 total cpu time spent up to now is 35.4 secs Computing kpt #: 115 total cpu time spent up to now is 35.7 secs Computing kpt #: 116 total cpu time spent up to now is 36.0 secs Computing kpt #: 117 total cpu time spent up to now is 36.3 secs Computing kpt #: 118 total cpu time spent up to now is 36.6 secs Computing kpt #: 119 total cpu time spent up to now is 36.9 secs Computing kpt #: 120 total cpu time spent up to now is 37.2 secs Computing kpt #: 121 total cpu time spent up to now is 37.5 secs Computing kpt #: 122 total cpu time spent up to now is 37.8 secs Computing kpt #: 123 total cpu time spent up to now is 38.1 secs Computing kpt #: 124 total cpu time spent up to now is 38.4 secs Computing kpt #: 125 total cpu time spent up to now is 38.7 secs Computing kpt #: 126 total cpu time spent up to now is 39.0 secs Computing kpt #: 127 total cpu time spent up to now is 39.3 secs Computing kpt #: 128 total cpu time spent up to now is 39.6 secs Computing kpt #: 129 total cpu time spent up to now is 39.9 secs Computing kpt #: 130 total cpu time spent up to now is 40.3 secs Computing kpt #: 131 total cpu time spent up to now is 40.6 secs Computing kpt #: 132 total cpu time spent up to now is 41.0 secs Computing kpt #: 133 total cpu time spent up to now is 41.3 secs Computing kpt #: 134 total cpu time spent up to now is 41.7 secs Computing kpt #: 135 total cpu time spent up to now is 42.0 secs Computing kpt #: 136 total cpu time spent up to now is 42.3 secs Computing kpt #: 137 total cpu time spent up to now is 42.6 secs Computing kpt #: 138 total cpu time spent up to now is 43.0 secs Computing kpt #: 139 total cpu time spent up to now is 43.3 secs Computing kpt #: 140 total cpu time spent up to now is 43.6 secs Computing kpt #: 141 total cpu time spent up to now is 43.9 secs Computing kpt #: 142 total cpu time spent up to now is 44.2 secs Computing kpt #: 143 total cpu time spent up to now is 44.5 secs Computing kpt #: 144 total cpu time spent up to now is 44.8 secs Computing kpt #: 145 total cpu time spent up to now is 45.1 secs Computing kpt #: 146 total cpu time spent up to now is 45.4 secs Computing kpt #: 147 total cpu time spent up to now is 45.8 secs Computing kpt #: 148 total cpu time spent up to now is 46.2 secs Computing kpt #: 149 total cpu time spent up to now is 46.5 secs Computing kpt #: 150 total cpu time spent up to now is 46.8 secs Computing kpt #: 151 total cpu time spent up to now is 47.1 secs Computing kpt #: 152 total cpu time spent up to now is 47.4 secs Computing kpt #: 153 total cpu time spent up to now is 47.7 secs Computing kpt #: 154 total cpu time spent up to now is 48.0 secs Computing kpt #: 155 total cpu time spent up to now is 48.3 secs Computing kpt #: 156 total cpu time spent up to now is 48.6 secs Computing kpt #: 157 total cpu time spent up to now is 48.9 secs Computing kpt #: 158 total cpu time spent up to now is 49.2 secs Computing kpt #: 159 total cpu time spent up to now is 49.5 secs Computing kpt #: 160 total cpu time spent up to now is 49.8 secs Computing kpt #: 161 total cpu time spent up to now is 50.1 secs Computing kpt #: 162 total cpu time spent up to now is 50.4 secs Computing kpt #: 163 total cpu time spent up to now is 50.7 secs Computing kpt #: 164 total cpu time spent up to now is 51.1 secs Computing kpt #: 165 total cpu time spent up to now is 51.4 secs Computing kpt #: 166 total cpu time spent up to now is 51.7 secs Computing kpt #: 167 total cpu time spent up to now is 52.0 secs Computing kpt #: 168 total cpu time spent up to now is 52.3 secs Computing kpt #: 169 total cpu time spent up to now is 52.7 secs Computing kpt #: 170 total cpu time spent up to now is 53.0 secs Computing kpt #: 171 total cpu time spent up to now is 53.4 secs Computing kpt #: 172 total cpu time spent up to now is 53.8 secs Computing kpt #: 173 total cpu time spent up to now is 54.1 secs Computing kpt #: 174 total cpu time spent up to now is 54.5 secs Computing kpt #: 175 total cpu time spent up to now is 54.9 secs Computing kpt #: 176 total cpu time spent up to now is 55.2 secs Computing kpt #: 177 total cpu time spent up to now is 55.5 secs Computing kpt #: 178 total cpu time spent up to now is 55.9 secs Computing kpt #: 179 total cpu time spent up to now is 56.2 secs Computing kpt #: 180 total cpu time spent up to now is 56.6 secs Computing kpt #: 181 total cpu time spent up to now is 56.9 secs Computing kpt #: 182 total cpu time spent up to now is 57.3 secs Computing kpt #: 183 total cpu time spent up to now is 57.6 secs Computing kpt #: 184 total cpu time spent up to now is 58.0 secs Computing kpt #: 185 total cpu time spent up to now is 58.4 secs Computing kpt #: 186 total cpu time spent up to now is 58.7 secs Computing kpt #: 187 total cpu time spent up to now is 59.0 secs Computing kpt #: 188 total cpu time spent up to now is 59.4 secs Computing kpt #: 189 total cpu time spent up to now is 59.7 secs Computing kpt #: 190 total cpu time spent up to now is 60.0 secs Computing kpt #: 191 total cpu time spent up to now is 60.3 secs Computing kpt #: 192 total cpu time spent up to now is 60.6 secs Computing kpt #: 193 total cpu time spent up to now is 60.9 secs Computing kpt #: 194 total cpu time spent up to now is 61.1 secs Computing kpt #: 195 total cpu time spent up to now is 61.4 secs Computing kpt #: 196 total cpu time spent up to now is 61.7 secs Computing kpt #: 197 total cpu time spent up to now is 62.0 secs Computing kpt #: 198 total cpu time spent up to now is 62.4 secs Computing kpt #: 199 total cpu time spent up to now is 62.7 secs Computing kpt #: 200 total cpu time spent up to now is 63.1 secs Computing kpt #: 201 total cpu time spent up to now is 63.4 secs Computing kpt #: 202 total cpu time spent up to now is 63.7 secs Computing kpt #: 203 total cpu time spent up to now is 64.0 secs Computing kpt #: 204 total cpu time spent up to now is 64.3 secs Computing kpt #: 205 total cpu time spent up to now is 64.6 secs Computing kpt #: 206 total cpu time spent up to now is 64.9 secs Computing kpt #: 207 total cpu time spent up to now is 65.3 secs Computing kpt #: 208 total cpu time spent up to now is 65.6 secs Computing kpt #: 209 total cpu time spent up to now is 66.0 secs Computing kpt #: 210 total cpu time spent up to now is 66.4 secs Computing kpt #: 211 total cpu time spent up to now is 66.9 secs Computing kpt #: 212 total cpu time spent up to now is 67.2 secs Computing kpt #: 213 total cpu time spent up to now is 67.5 secs Computing kpt #: 214 total cpu time spent up to now is 67.8 secs Computing kpt #: 215 total cpu time spent up to now is 68.1 secs Computing kpt #: 216 total cpu time spent up to now is 68.4 secs Computing kpt #: 217 total cpu time spent up to now is 68.7 secs Computing kpt #: 218 total cpu time spent up to now is 69.1 secs Computing kpt #: 219 total cpu time spent up to now is 69.4 secs Computing kpt #: 220 total cpu time spent up to now is 69.7 secs Computing kpt #: 221 total cpu time spent up to now is 70.0 secs Computing kpt #: 222 total cpu time spent up to now is 70.3 secs Computing kpt #: 223 total cpu time spent up to now is 70.6 secs Computing kpt #: 224 total cpu time spent up to now is 71.0 secs Computing kpt #: 225 total cpu time spent up to now is 71.3 secs Computing kpt #: 226 total cpu time spent up to now is 71.6 secs Computing kpt #: 227 total cpu time spent up to now is 72.0 secs Computing kpt #: 228 total cpu time spent up to now is 72.3 secs Computing kpt #: 229 total cpu time spent up to now is 72.6 secs Computing kpt #: 230 total cpu time spent up to now is 72.9 secs Computing kpt #: 231 total cpu time spent up to now is 73.2 secs Computing kpt #: 232 total cpu time spent up to now is 73.5 secs Computing kpt #: 233 total cpu time spent up to now is 73.7 secs Computing kpt #: 234 total cpu time spent up to now is 74.0 secs Computing kpt #: 235 total cpu time spent up to now is 74.3 secs Computing kpt #: 236 total cpu time spent up to now is 74.6 secs Computing kpt #: 237 total cpu time spent up to now is 74.8 secs Computing kpt #: 238 total cpu time spent up to now is 75.1 secs Computing kpt #: 239 total cpu time spent up to now is 75.4 secs Computing kpt #: 240 total cpu time spent up to now is 75.6 secs Computing kpt #: 241 total cpu time spent up to now is 75.9 secs Computing kpt #: 242 total cpu time spent up to now is 76.2 secs Computing kpt #: 243 total cpu time spent up to now is 76.5 secs Computing kpt #: 244 total cpu time spent up to now is 76.8 secs Computing kpt #: 245 total cpu time spent up to now is 77.0 secs Computing kpt #: 246 total cpu time spent up to now is 77.3 secs Computing kpt #: 247 total cpu time spent up to now is 77.6 secs Computing kpt #: 248 total cpu time spent up to now is 77.9 secs Computing kpt #: 249 total cpu time spent up to now is 78.2 secs Computing kpt #: 250 total cpu time spent up to now is 78.5 secs Computing kpt #: 251 total cpu time spent up to now is 78.8 secs Computing kpt #: 252 total cpu time spent up to now is 79.1 secs Computing kpt #: 253 total cpu time spent up to now is 79.4 secs Computing kpt #: 254 total cpu time spent up to now is 79.7 secs Computing kpt #: 255 total cpu time spent up to now is 79.9 secs Computing kpt #: 256 total cpu time spent up to now is 80.2 secs Computing kpt #: 257 total cpu time spent up to now is 80.5 secs Computing kpt #: 258 total cpu time spent up to now is 80.8 secs Computing kpt #: 259 total cpu time spent up to now is 81.1 secs Computing kpt #: 260 total cpu time spent up to now is 81.4 secs Computing kpt #: 261 total cpu time spent up to now is 81.7 secs Computing kpt #: 262 total cpu time spent up to now is 82.0 secs Computing kpt #: 263 total cpu time spent up to now is 82.2 secs Computing kpt #: 264 total cpu time spent up to now is 82.5 secs Computing kpt #: 265 total cpu time spent up to now is 82.8 secs Computing kpt #: 266 total cpu time spent up to now is 83.1 secs Computing kpt #: 267 total cpu time spent up to now is 83.4 secs Computing kpt #: 268 total cpu time spent up to now is 83.7 secs Computing kpt #: 269 total cpu time spent up to now is 84.1 secs Computing kpt #: 270 total cpu time spent up to now is 84.5 secs Computing kpt #: 271 total cpu time spent up to now is 84.9 secs Computing kpt #: 272 total cpu time spent up to now is 85.3 secs Computing kpt #: 273 total cpu time spent up to now is 85.7 secs Computing kpt #: 274 total cpu time spent up to now is 86.0 secs Computing kpt #: 275 total cpu time spent up to now is 86.3 secs Computing kpt #: 276 total cpu time spent up to now is 86.5 secs Computing kpt #: 277 total cpu time spent up to now is 86.8 secs Computing kpt #: 278 total cpu time spent up to now is 87.2 secs Computing kpt #: 279 total cpu time spent up to now is 87.5 secs Computing kpt #: 280 total cpu time spent up to now is 87.8 secs Computing kpt #: 281 total cpu time spent up to now is 88.1 secs Computing kpt #: 282 total cpu time spent up to now is 88.4 secs Computing kpt #: 283 total cpu time spent up to now is 88.8 secs Computing kpt #: 284 total cpu time spent up to now is 89.1 secs Computing kpt #: 285 total cpu time spent up to now is 89.4 secs Computing kpt #: 286 total cpu time spent up to now is 89.8 secs Computing kpt #: 287 total cpu time spent up to now is 90.1 secs Computing kpt #: 288 total cpu time spent up to now is 90.4 secs Computing kpt #: 289 total cpu time spent up to now is 90.7 secs Computing kpt #: 290 total cpu time spent up to now is 91.1 secs Computing kpt #: 291 total cpu time spent up to now is 91.4 secs Computing kpt #: 292 total cpu time spent up to now is 91.7 secs Computing kpt #: 293 total cpu time spent up to now is 92.0 secs Computing kpt #: 294 total cpu time spent up to now is 92.3 secs Computing kpt #: 295 total cpu time spent up to now is 92.6 secs Computing kpt #: 296 total cpu time spent up to now is 93.0 secs Computing kpt #: 297 total cpu time spent up to now is 93.3 secs Computing kpt #: 298 total cpu time spent up to now is 93.6 secs Computing kpt #: 299 total cpu time spent up to now is 93.9 secs Computing kpt #: 300 total cpu time spent up to now is 94.2 secs Computing kpt #: 301 total cpu time spent up to now is 94.4 secs Computing kpt #: 302 total cpu time spent up to now is 94.7 secs Computing kpt #: 303 total cpu time spent up to now is 95.0 secs Computing kpt #: 304 total cpu time spent up to now is 95.3 secs Computing kpt #: 305 total cpu time spent up to now is 95.6 secs Computing kpt #: 306 total cpu time spent up to now is 95.8 secs Computing kpt #: 307 total cpu time spent up to now is 96.1 secs Computing kpt #: 308 total cpu time spent up to now is 96.4 secs Computing kpt #: 309 total cpu time spent up to now is 96.7 secs Computing kpt #: 310 total cpu time spent up to now is 97.0 secs Computing kpt #: 311 total cpu time spent up to now is 97.2 secs Computing kpt #: 312 total cpu time spent up to now is 97.5 secs Computing kpt #: 313 total cpu time spent up to now is 97.8 secs Computing kpt #: 314 total cpu time spent up to now is 98.1 secs Computing kpt #: 315 total cpu time spent up to now is 98.4 secs Computing kpt #: 316 total cpu time spent up to now is 98.7 secs Computing kpt #: 317 total cpu time spent up to now is 99.0 secs Computing kpt #: 318 total cpu time spent up to now is 99.3 secs Computing kpt #: 319 total cpu time spent up to now is 99.6 secs Computing kpt #: 320 total cpu time spent up to now is 99.9 secs Computing kpt #: 321 total cpu time spent up to now is 100.2 secs Computing kpt #: 322 total cpu time spent up to now is 100.5 secs Computing kpt #: 323 total cpu time spent up to now is 100.9 secs Computing kpt #: 324 total cpu time spent up to now is 101.2 secs Computing kpt #: 325 total cpu time spent up to now is 101.5 secs Computing kpt #: 326 total cpu time spent up to now is 101.8 secs Computing kpt #: 327 total cpu time spent up to now is 102.2 secs Computing kpt #: 328 total cpu time spent up to now is 102.6 secs Computing kpt #: 329 total cpu time spent up to now is 102.9 secs Computing kpt #: 330 total cpu time spent up to now is 103.3 secs Computing kpt #: 331 total cpu time spent up to now is 103.6 secs Computing kpt #: 332 total cpu time spent up to now is 103.9 secs Computing kpt #: 333 total cpu time spent up to now is 104.3 secs Computing kpt #: 334 total cpu time spent up to now is 104.6 secs Computing kpt #: 335 total cpu time spent up to now is 104.9 secs Computing kpt #: 336 total cpu time spent up to now is 105.3 secs Computing kpt #: 337 total cpu time spent up to now is 105.7 secs Computing kpt #: 338 total cpu time spent up to now is 106.1 secs Computing kpt #: 339 total cpu time spent up to now is 106.5 secs Computing kpt #: 340 total cpu time spent up to now is 106.8 secs Computing kpt #: 341 total cpu time spent up to now is 107.2 secs Computing kpt #: 342 total cpu time spent up to now is 107.6 secs Computing kpt #: 343 total cpu time spent up to now is 108.0 secs Computing kpt #: 344 total cpu time spent up to now is 108.4 secs Computing kpt #: 345 total cpu time spent up to now is 108.7 secs Computing kpt #: 346 total cpu time spent up to now is 109.1 secs Computing kpt #: 347 total cpu time spent up to now is 109.5 secs Computing kpt #: 348 total cpu time spent up to now is 109.9 secs Computing kpt #: 349 total cpu time spent up to now is 110.2 secs Computing kpt #: 350 total cpu time spent up to now is 110.6 secs Computing kpt #: 351 total cpu time spent up to now is 111.0 secs Computing kpt #: 352 total cpu time spent up to now is 111.4 secs Computing kpt #: 353 total cpu time spent up to now is 111.8 secs Computing kpt #: 354 total cpu time spent up to now is 112.2 secs Computing kpt #: 355 total cpu time spent up to now is 112.5 secs Computing kpt #: 356 total cpu time spent up to now is 112.9 secs Computing kpt #: 357 total cpu time spent up to now is 113.2 secs Computing kpt #: 358 total cpu time spent up to now is 113.6 secs Computing kpt #: 359 total cpu time spent up to now is 113.9 secs Computing kpt #: 360 total cpu time spent up to now is 114.2 secs Computing kpt #: 361 total cpu time spent up to now is 114.6 secs Computing kpt #: 362 total cpu time spent up to now is 114.9 secs Computing kpt #: 363 total cpu time spent up to now is 115.2 secs Computing kpt #: 364 total cpu time spent up to now is 115.6 secs Computing kpt #: 365 total cpu time spent up to now is 115.9 secs Computing kpt #: 366 total cpu time spent up to now is 116.2 secs Computing kpt #: 367 total cpu time spent up to now is 116.6 secs Computing kpt #: 368 total cpu time spent up to now is 116.9 secs Computing kpt #: 369 total cpu time spent up to now is 117.3 secs Computing kpt #: 370 total cpu time spent up to now is 117.6 secs Computing kpt #: 371 total cpu time spent up to now is 117.9 secs Computing kpt #: 372 total cpu time spent up to now is 118.2 secs Computing kpt #: 373 total cpu time spent up to now is 118.6 secs Computing kpt #: 374 total cpu time spent up to now is 118.9 secs Computing kpt #: 375 total cpu time spent up to now is 119.2 secs Computing kpt #: 376 total cpu time spent up to now is 119.5 secs Computing kpt #: 377 total cpu time spent up to now is 119.8 secs Computing kpt #: 378 total cpu time spent up to now is 120.1 secs Computing kpt #: 379 total cpu time spent up to now is 120.4 secs Computing kpt #: 380 total cpu time spent up to now is 120.7 secs Computing kpt #: 381 total cpu time spent up to now is 121.0 secs Computing kpt #: 382 total cpu time spent up to now is 121.4 secs Computing kpt #: 383 total cpu time spent up to now is 121.7 secs Computing kpt #: 384 total cpu time spent up to now is 122.0 secs Computing kpt #: 385 total cpu time spent up to now is 122.4 secs Computing kpt #: 386 total cpu time spent up to now is 122.7 secs Computing kpt #: 387 total cpu time spent up to now is 123.1 secs Computing kpt #: 388 total cpu time spent up to now is 123.5 secs Computing kpt #: 389 total cpu time spent up to now is 123.9 secs Computing kpt #: 390 total cpu time spent up to now is 124.2 secs Computing kpt #: 391 total cpu time spent up to now is 124.6 secs Computing kpt #: 392 total cpu time spent up to now is 125.0 secs Computing kpt #: 393 total cpu time spent up to now is 125.4 secs Computing kpt #: 394 total cpu time spent up to now is 125.8 secs Computing kpt #: 395 total cpu time spent up to now is 126.2 secs Computing kpt #: 396 total cpu time spent up to now is 126.6 secs Computing kpt #: 397 total cpu time spent up to now is 126.9 secs Computing kpt #: 398 total cpu time spent up to now is 127.3 secs Computing kpt #: 399 total cpu time spent up to now is 127.7 secs Computing kpt #: 400 total cpu time spent up to now is 128.1 secs Computing kpt #: 401 total cpu time spent up to now is 128.5 secs Computing kpt #: 402 total cpu time spent up to now is 128.9 secs Computing kpt #: 403 total cpu time spent up to now is 129.2 secs Computing kpt #: 404 total cpu time spent up to now is 129.6 secs Computing kpt #: 405 total cpu time spent up to now is 129.9 secs Computing kpt #: 406 total cpu time spent up to now is 130.2 secs Computing kpt #: 407 total cpu time spent up to now is 130.5 secs Computing kpt #: 408 total cpu time spent up to now is 130.8 secs Computing kpt #: 409 total cpu time spent up to now is 131.1 secs Computing kpt #: 410 total cpu time spent up to now is 131.4 secs Computing kpt #: 411 total cpu time spent up to now is 131.7 secs Computing kpt #: 412 total cpu time spent up to now is 132.0 secs Computing kpt #: 413 total cpu time spent up to now is 132.3 secs Computing kpt #: 414 total cpu time spent up to now is 132.5 secs Computing kpt #: 415 total cpu time spent up to now is 132.8 secs Computing kpt #: 416 total cpu time spent up to now is 133.1 secs Computing kpt #: 417 total cpu time spent up to now is 133.4 secs Computing kpt #: 418 total cpu time spent up to now is 133.7 secs Computing kpt #: 419 total cpu time spent up to now is 134.0 secs Computing kpt #: 420 total cpu time spent up to now is 134.3 secs Computing kpt #: 421 total cpu time spent up to now is 134.6 secs Computing kpt #: 422 total cpu time spent up to now is 134.9 secs Computing kpt #: 423 total cpu time spent up to now is 135.2 secs Computing kpt #: 424 total cpu time spent up to now is 135.5 secs Computing kpt #: 425 total cpu time spent up to now is 135.8 secs Computing kpt #: 426 total cpu time spent up to now is 136.1 secs Computing kpt #: 427 total cpu time spent up to now is 136.4 secs Computing kpt #: 428 total cpu time spent up to now is 136.6 secs Computing kpt #: 429 total cpu time spent up to now is 136.9 secs Computing kpt #: 430 total cpu time spent up to now is 137.2 secs Computing kpt #: 431 total cpu time spent up to now is 137.5 secs Computing kpt #: 432 total cpu time spent up to now is 137.8 secs Computing kpt #: 433 total cpu time spent up to now is 138.1 secs Computing kpt #: 434 total cpu time spent up to now is 138.3 secs Computing kpt #: 435 total cpu time spent up to now is 138.6 secs Computing kpt #: 436 total cpu time spent up to now is 138.8 secs Computing kpt #: 437 total cpu time spent up to now is 139.1 secs Computing kpt #: 438 total cpu time spent up to now is 139.3 secs Computing kpt #: 439 total cpu time spent up to now is 139.6 secs Computing kpt #: 440 total cpu time spent up to now is 139.8 secs Computing kpt #: 441 total cpu time spent up to now is 140.2 secs Computing kpt #: 442 total cpu time spent up to now is 140.5 secs Computing kpt #: 443 total cpu time spent up to now is 140.7 secs Computing kpt #: 444 total cpu time spent up to now is 141.0 secs Computing kpt #: 445 total cpu time spent up to now is 141.3 secs Computing kpt #: 446 total cpu time spent up to now is 141.5 secs Computing kpt #: 447 total cpu time spent up to now is 141.8 secs Computing kpt #: 448 total cpu time spent up to now is 142.1 secs Computing kpt #: 449 total cpu time spent up to now is 142.3 secs Computing kpt #: 450 total cpu time spent up to now is 142.6 secs Computing kpt #: 451 total cpu time spent up to now is 142.9 secs Computing kpt #: 452 total cpu time spent up to now is 143.2 secs Computing kpt #: 453 total cpu time spent up to now is 143.5 secs Computing kpt #: 454 total cpu time spent up to now is 143.8 secs Computing kpt #: 455 total cpu time spent up to now is 144.1 secs Computing kpt #: 456 total cpu time spent up to now is 144.5 secs Computing kpt #: 457 total cpu time spent up to now is 144.8 secs Computing kpt #: 458 total cpu time spent up to now is 145.1 secs Computing kpt #: 459 total cpu time spent up to now is 145.4 secs Computing kpt #: 460 total cpu time spent up to now is 145.7 secs ethr = 2.78E-08, avg # of iterations = 17.2 total cpu time spent up to now is 145.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0446 -4.0446 -1.5153 -1.5153 -0.5347 -0.5347 -0.0544 -0.0544 4.1025 4.1025 5.0416 5.0416 6.2825 6.2825 6.7866 6.7866 7.1134 7.1134 7.6758 7.6758 8.7469 8.7469 9.1133 9.1133 9.2920 9.2920 9.3021 9.3021 9.7589 9.7589 10.1198 10.1198 10.1475 10.1475 10.2345 10.2345 11.9776 11.9776 12.8650 12.8650 14.5073 14.5073 15.0571 15.0571 k = 0.0091-0.0000-0.0000 ( 3235 PWs) bands (ev): -4.0432 -4.0432 -1.5141 -1.5141 -0.5336 -0.5336 -0.0532 -0.0532 4.1040 4.1040 5.0428 5.0428 6.2829 6.2829 6.7879 6.7879 7.1139 7.1139 7.6764 7.6764 8.7461 8.7461 9.1133 9.1133 9.2918 9.2918 9.3019 9.3019 9.7588 9.7588 10.1190 10.1190 10.1468 10.1468 10.2339 10.2339 11.9769 11.9769 12.8533 12.8533 14.5060 14.5060 15.0460 15.0460 k = 0.0182-0.0000-0.0000 ( 3227 PWs) bands (ev): -4.0391 -4.0391 -1.5105 -1.5105 -0.5300 -0.5300 -0.0499 -0.0499 4.1086 4.1086 5.0465 5.0465 6.2839 6.2839 6.7918 6.7918 7.1154 7.1154 7.6781 7.6781 8.7436 8.7436 9.1131 9.1131 9.2911 9.2911 9.3010 9.3010 9.7587 9.7587 10.1164 10.1164 10.1448 10.1448 10.2319 10.2319 11.9749 11.9749 12.8190 12.8190 14.5018 14.5018 15.0109 15.0109 k = 0.0273-0.0000-0.0000 ( 3231 PWs) bands (ev): -4.0322 -4.0322 -1.5046 -1.5046 -0.5240 -0.5240 -0.0444 -0.0444 4.1163 4.1163 5.0526 5.0526 6.2856 6.2856 6.7982 6.7982 7.1178 7.1178 7.6810 7.6810 8.7392 8.7392 9.1128 9.1128 9.2899 9.2899 9.2994 9.2994 9.7584 9.7584 10.1117 10.1117 10.1418 10.1418 10.2286 10.2286 11.9712 11.9712 12.7636 12.7636 14.4937 14.4937 14.9515 14.9515 k = 0.0364-0.0000-0.0000 ( 3233 PWs) bands (ev): -4.0225 -4.0225 -1.4964 -1.4964 -0.5157 -0.5157 -0.0366 -0.0366 4.1270 4.1270 5.0612 5.0612 6.2880 6.2880 6.8071 6.8071 7.1212 7.1212 7.6849 7.6849 8.7328 8.7328 9.1123 9.1123 9.2883 9.2883 9.2972 9.2972 9.7579 9.7579 10.1047 10.1047 10.1380 10.1380 10.2239 10.2239 11.9654 11.9654 12.6899 12.6899 14.4792 14.4792 14.8738 14.8738 k = 0.0455-0.0000-0.0000 ( 3235 PWs) bands (ev): -4.0101 -4.0101 -1.4857 -1.4857 -0.5050 -0.5050 -0.0266 -0.0266 4.1407 4.1407 5.0721 5.0721 6.2910 6.2910 6.8186 6.8186 7.1256 7.1256 7.6899 7.6899 8.7242 8.7242 9.1116 9.1116 9.2861 9.2861 9.2944 9.2944 9.7573 9.7573 10.0951 10.0951 10.1336 10.1336 10.2180 10.2180 11.9566 11.9566 12.6014 12.6014 14.4536 14.4536 14.7870 14.7870 k = 0.0545-0.0000-0.0000 ( 3243 PWs) bands (ev): -3.9949 -3.9949 -1.4728 -1.4728 -0.4919 -0.4919 -0.0145 -0.0145 4.1574 4.1574 5.0856 5.0856 6.2946 6.2946 6.8326 6.8326 7.1308 7.1308 7.6961 7.6961 8.7131 8.7131 9.1105 9.1105 9.2835 9.2835 9.2907 9.2907 9.7565 9.7565 10.0829 10.0829 10.1287 10.1287 10.2109 10.2109 11.9431 11.9431 12.5028 12.5028 14.4075 14.4075 14.7030 14.7030 k = 0.0636-0.0000-0.0000 ( 3247 PWs) bands (ev): -3.9770 -3.9770 -1.4575 -1.4575 -0.4764 -0.4764 -0.0001 -0.0001 4.1772 4.1772 5.1014 5.1014 6.2988 6.2988 6.8490 6.8490 7.1370 7.1370 7.7033 7.7033 8.6989 8.6989 9.1090 9.1090 9.2805 9.2805 9.2864 9.2864 9.7556 9.7556 10.0681 10.0681 10.1231 10.1231 10.2026 10.2026 11.9219 11.9219 12.4003 12.4003 14.3300 14.3300 14.6346 14.6346 k = 0.0727-0.0000-0.0000 ( 3251 PWs) bands (ev): -3.9563 -3.9563 -1.4399 -1.4399 -0.4586 -0.4586 0.0164 0.0164 4.2000 4.2000 5.1196 5.1196 6.3035 6.3035 6.8679 6.8679 7.1440 7.1440 7.7115 7.7115 8.6813 8.6813 9.1069 9.1069 9.2770 9.2770 9.2812 9.2812 9.7544 9.7544 10.0507 10.0507 10.1168 10.1168 10.1932 10.1932 11.8876 11.8876 12.3023 12.3023 14.2192 14.2192 14.5842 14.5842 k = 0.0818-0.0000-0.0000 ( 3257 PWs) bands (ev): -3.9329 -3.9329 -1.4201 -1.4201 -0.4385 -0.4385 0.0351 0.0351 4.2258 4.2258 5.1402 5.1402 6.3087 6.3087 6.8891 6.8891 7.1518 7.1518 7.7209 7.7209 8.6595 8.6595 9.1042 9.1042 9.2729 9.2729 9.2751 9.2751 9.7531 9.7531 10.0310 10.0310 10.1094 10.1094 10.1828 10.1828 11.8331 11.8331 12.2192 12.2192 14.0839 14.0839 14.5434 14.5434 k = 0.0909-0.0000-0.0000 ( 3253 PWs) bands (ev): -3.9067 -3.9067 -1.3979 -1.3979 -0.4160 -0.4160 0.0560 0.0560 4.2546 4.2546 5.1632 5.1632 6.3143 6.3143 6.9126 6.9126 7.1604 7.1604 7.7312 7.7312 8.6329 8.6329 9.1008 9.1008 9.2671 9.2671 9.2695 9.2695 9.7515 9.7515 10.0093 10.0093 10.1008 10.1008 10.1713 10.1713 11.7536 11.7536 12.1583 12.1583 13.9330 13.9330 14.5028 14.5028 k = 0.1000-0.0000-0.0000 ( 3257 PWs) bands (ev): -3.8778 -3.8778 -1.3736 -1.3736 -0.3913 -0.3913 0.0789 0.0789 4.2863 4.2863 5.1885 5.1885 6.3203 6.3203 6.9383 6.9383 7.1697 7.1697 7.7425 7.7425 8.6006 8.6006 9.0962 9.0962 9.2589 9.2589 9.2645 9.2645 9.7497 9.7497 9.9855 9.9855 10.0908 10.0908 10.1590 10.1590 11.6532 11.6532 12.1186 12.1186 13.7722 13.7722 14.4560 14.4560 k = 0.1091-0.0000-0.0000 ( 3257 PWs) bands (ev): -3.8463 -3.8463 -1.3471 -1.3471 -0.3642 -0.3642 0.1040 0.1040 4.3209 4.3209 5.2162 5.2162 6.3265 6.3265 6.9661 6.9661 7.1796 7.1796 7.7548 7.7548 8.5617 8.5617 9.0903 9.0903 9.2490 9.2490 9.2593 9.2593 9.7476 9.7476 9.9600 9.9600 10.0793 10.0793 10.1458 10.1458 11.5410 11.5410 12.0934 12.0934 13.6049 13.6049 14.3984 14.3984 k = 0.1182-0.0000-0.0000 ( 3255 PWs) bands (ev): -3.8120 -3.8120 -1.3184 -1.3184 -0.3348 -0.3348 0.1312 0.1312 4.3585 4.3585 5.2461 5.2461 6.3329 6.3329 6.9960 6.9960 7.1902 7.1902 7.7680 7.7680 8.5151 8.5151 9.0829 9.0829 9.2374 9.2374 9.2538 9.2538 9.7452 9.7452 9.9328 9.9328 10.0663 10.0663 10.1318 10.1318 11.4255 11.4255 12.0769 12.0769 13.4337 13.4337 14.3273 14.3273 k = 0.1273-0.0000-0.0000 ( 3250 PWs) bands (ev): -3.7750 -3.7750 -1.2876 -1.2876 -0.3032 -0.3032 0.1604 0.1604 4.3989 4.3989 5.2783 5.2783 6.3395 6.3395 7.0278 7.0278 7.2013 7.2013 7.7821 7.7821 8.4598 8.4598 9.0736 9.0736 9.2238 9.2238 9.2480 9.2480 9.7425 9.7425 9.9045 9.9045 10.0516 10.0516 10.1170 10.1170 11.3122 11.3122 12.0653 12.0653 13.2605 13.2605 14.2412 14.2412 k = 0.1364-0.0000-0.0000 ( 3246 PWs) bands (ev): -3.7354 -3.7354 -1.2547 -1.2547 -0.2694 -0.2694 0.1917 0.1917 4.4422 4.4422 5.3127 5.3127 6.3460 6.3460 7.0613 7.0613 7.2128 7.2128 7.7969 7.7969 8.3950 8.3950 9.0620 9.0620 9.2077 9.2077 9.2416 9.2416 9.7396 9.7396 9.8752 9.8752 10.0354 10.0354 10.1014 10.1014 11.2051 11.2051 12.0567 12.0567 13.0868 13.0868 14.1411 14.1411 k = 0.1455-0.0000-0.0000 ( 3244 PWs) bands (ev): -3.6931 -3.6931 -1.2198 -1.2198 -0.2333 -0.2333 0.2249 0.2249 4.4883 4.4883 5.3493 5.3493 6.3525 6.3525 7.0964 7.0964 7.2248 7.2248 7.8126 7.8126 8.3197 8.3197 9.0475 9.0475 9.1887 9.1887 9.2352 9.2352 9.7362 9.7362 9.8455 9.8455 10.0178 10.0178 10.0849 10.0849 11.1067 11.1067 12.0500 12.0500 12.9143 12.9143 14.0292 14.0292 k = 0.1545-0.0000-0.0000 ( 3254 PWs) bands (ev): -3.6481 -3.6481 -1.1830 -1.1830 -0.1951 -0.1951 0.2601 0.2601 4.5372 4.5372 5.3880 5.3880 6.3587 6.3587 7.1329 7.1329 7.2371 7.2371 7.8290 7.8290 8.2335 8.2335 9.0297 9.0297 9.1663 9.1663 9.2284 9.2284 9.7322 9.7322 9.8158 9.8158 9.9991 9.9991 10.0678 10.0678 11.0185 11.0185 12.0445 12.0445 12.7442 12.7442 13.9087 13.9087 k = 0.1636-0.0000-0.0000 ( 3258 PWs) bands (ev): -3.6005 -3.6005 -1.1443 -1.1443 -0.1547 -0.1547 0.2973 0.2973 4.5889 4.5889 5.4287 5.4287 6.3647 6.3647 7.1705 7.1705 7.2496 7.2496 7.8462 7.8462 8.1363 8.1363 9.0079 9.0079 9.1398 9.1398 9.2215 9.2215 9.7278 9.7278 9.7868 9.7868 9.9794 9.9794 10.0504 10.0504 10.9412 10.9412 12.0397 12.0397 12.5779 12.5779 13.7828 13.7828 k = 0.1727-0.0000-0.0000 ( 3266 PWs) bands (ev): -3.5503 -3.5503 -1.1037 -1.1037 -0.1122 -0.1122 0.3363 0.3363 4.6432 4.6432 5.4714 5.4714 6.3702 6.3702 7.2090 7.2090 7.2623 7.2623 7.8639 7.8639 8.0284 8.0284 8.9815 8.9815 9.1088 9.1088 9.2146 9.2146 9.7222 9.7222 9.7597 9.7597 9.9588 9.9588 10.0330 10.0330 10.8749 10.8749 12.0354 12.0354 12.4166 12.4166 13.6544 13.6544 k = 0.1818-0.0000-0.0000 ( 3270 PWs) bands (ev): -3.4975 -3.4975 -1.0615 -1.0615 -0.0676 -0.0676 0.3771 0.3771 4.7002 4.7002 5.5160 5.5160 6.3753 6.3753 7.2476 7.2476 7.2753 7.2753 7.8818 7.8818 7.9109 7.9109 8.9499 8.9499 9.0725 9.0725 9.2079 9.2079 9.7135 9.7135 9.7370 9.7370 9.9373 9.9373 10.0161 10.0161 10.8189 10.8189 12.0311 12.0311 12.2617 12.2617 13.5262 13.5262 k = 0.1909-0.0000-0.0000 ( 3260 PWs) bands (ev): -3.4422 -3.4422 -1.0176 -1.0176 -0.0210 -0.0210 0.4198 0.4198 4.7598 4.7598 5.5623 5.5623 6.3797 6.3797 7.2820 7.2820 7.2925 7.2925 7.7834 7.7834 7.9016 7.9016 8.9125 8.9125 9.0305 9.0305 9.2013 9.2013 9.6974 9.6974 9.7233 9.7233 9.9148 9.9148 10.0008 10.0008 10.7725 10.7725 12.0252 12.0252 12.1159 12.1159 13.4001 13.4001 k = 0.2000-0.0000-0.0000 ( 3256 PWs) bands (ev): -3.3843 -3.3843 -0.9722 -0.9722 0.0276 0.0276 0.4641 0.4641 4.8219 4.8219 5.6102 5.6102 6.3833 6.3833 7.2973 7.2973 7.3276 7.3276 7.6493 7.6493 7.9211 7.9211 8.8690 8.8690 8.9824 8.9824 9.1951 9.1951 9.6773 9.6773 9.7157 9.7157 9.8907 9.8907 9.9874 9.9874 10.7345 10.7345 11.9659 11.9659 12.0319 12.0319 13.2778 13.2778 k = 0.2091-0.0000-0.0000 ( 3262 PWs) bands (ev): -3.3239 -3.3239 -0.9254 -0.9254 0.0782 0.0782 0.5102 0.5102 4.8865 4.8865 5.6594 5.6594 6.3859 6.3859 7.3072 7.3072 7.3647 7.3647 7.5107 7.5107 7.9411 7.9411 8.8190 8.8190 8.9281 8.9281 9.1890 9.1890 9.6577 9.6577 9.7094 9.7094 9.8647 9.8647 9.9765 9.9765 10.7037 10.7037 11.8387 11.8387 12.0249 12.0249 13.1605 13.1605 k = 0.2182-0.0000-0.0000 ( 3264 PWs) bands (ev): -3.2610 -3.2610 -0.8773 -0.8773 0.1306 0.1306 0.5578 0.5578 4.9535 4.9535 5.7097 5.7097 6.3876 6.3876 7.3017 7.3017 7.3797 7.3797 7.4025 7.4025 7.9616 7.9616 8.7628 8.7628 8.8675 8.8675 9.1830 9.1830 9.6402 9.6402 9.7031 9.7031 9.8367 9.8367 9.9684 9.9684 10.6791 10.6791 11.7181 11.7181 12.0213 12.0213 13.0495 13.0495 k = 0.2273-0.0000-0.0000 ( 3270 PWs) bands (ev): -3.1957 -3.1957 -0.8281 -0.8281 0.1849 0.1849 0.6069 0.6069 5.0227 5.0227 5.7605 5.7605 6.3879 6.3879 7.1975 7.1975 7.3479 7.3479 7.4333 7.4333 7.9826 7.9826 8.7008 8.7008 8.8010 8.8010 9.1771 9.1771 9.6248 9.6248 9.6963 9.6963 9.8070 9.8070 9.9633 9.9633 10.6598 10.6598 11.6074 11.6074 12.0181 12.0181 12.9455 12.9455 k = 0.2364-0.0000-0.0000 ( 3268 PWs) bands (ev): -3.1279 -3.1279 -0.7780 -0.7780 0.2409 0.2409 0.6574 0.6574 5.0942 5.0942 5.8111 5.8111 6.3869 6.3869 7.0522 7.0522 7.3540 7.3540 7.4609 7.4609 8.0040 8.0040 8.6343 8.6343 8.7291 8.7291 9.1711 9.1711 9.6113 9.6113 9.6883 9.6883 9.7763 9.7763 9.9608 9.9608 10.6449 10.6449 11.5072 11.5072 12.0152 12.0152 12.8491 12.8491 k = 0.2455-0.0000-0.0000 ( 3268 PWs) bands (ev): -3.0578 -3.0578 -0.7270 -0.7270 0.2986 0.2986 0.7093 0.7093 5.1677 5.1677 5.8602 5.8602 6.3843 6.3843 6.9052 6.9052 7.3626 7.3626 7.4818 7.4818 8.0256 8.0256 8.5649 8.5649 8.6525 8.6525 9.1648 9.1648 9.5995 9.5995 9.6772 9.6772 9.7463 9.7463 9.9606 9.9606 10.6336 10.6336 11.4176 11.4176 12.0124 12.0124 12.7610 12.7610 k = 0.2545-0.0000-0.0000 ( 3264 PWs) bands (ev): -2.9853 -2.9853 -0.6755 -0.6755 0.3579 0.3579 0.7624 0.7624 5.2430 5.2430 5.9054 5.9054 6.3796 6.3796 6.7629 6.7629 7.3709 7.3709 7.4934 7.4934 8.0473 8.0473 8.4948 8.4948 8.5725 8.5725 9.1578 9.1578 9.5889 9.5889 9.6597 9.6597 9.7207 9.7207 9.9627 9.9627 10.6256 10.6256 11.3384 11.3384 12.0097 12.0097 12.6812 12.6812 k = 0.2636-0.0000-0.0000 ( 3258 PWs) bands (ev): -2.9106 -2.9106 -0.6237 -0.6237 0.4188 0.4188 0.8167 0.8167 5.3197 5.3197 5.9418 5.9418 6.3724 6.3724 6.6324 6.6324 7.3778 7.3778 7.4925 7.4925 8.0685 8.0685 8.4260 8.4260 8.4919 8.4919 9.1498 9.1498 9.5791 9.5791 9.6332 9.6332 9.7032 9.7032 9.9665 9.9665 10.6204 10.6204 11.2692 11.2692 12.0071 12.0071 12.6094 12.6094 k = 0.2727-0.0000-0.0000 ( 3250 PWs) bands (ev): -2.8336 -2.8336 -0.5718 -0.5718 0.4810 0.4810 0.8719 0.8719 5.3973 5.3973 5.9599 5.9599 6.3616 6.3616 6.5256 6.5256 7.3824 7.3824 7.4759 7.4759 8.0884 8.0884 8.3572 8.3572 8.4175 8.4175 9.1401 9.1401 9.5678 9.5678 9.6015 9.6015 9.6919 9.6919 9.9719 9.9719 10.6175 10.6175 11.2096 11.2096 12.0046 12.0046 12.5391 12.5391 k = 0.2818-0.0000-0.0000 ( 3250 PWs) bands (ev): -2.7544 -2.7544 -0.5201 -0.5201 0.5445 0.5445 0.9280 0.9280 5.4742 5.4742 5.9450 5.9450 6.3481 6.3481 6.4585 6.4585 7.3821 7.3821 7.4423 7.4423 8.1055 8.1055 8.2816 8.2816 8.3623 8.3623 9.1280 9.1280 9.5467 9.5467 9.5767 9.5767 9.6838 9.6838 9.9784 9.9784 10.6167 10.6167 11.1586 11.1586 12.0022 12.0022 12.4540 12.4540 k = 0.2909-0.0000-0.0000 ( 3246 PWs) bands (ev): -2.6732 -2.6732 -0.4690 -0.4690 0.6093 0.6093 0.9848 0.9848 5.5462 5.5462 5.8913 5.8913 6.3389 6.3389 6.4349 6.4349 7.3612 7.3612 7.4051 7.4051 8.1161 8.1161 8.2014 8.2014 8.3311 8.3311 9.1125 9.1125 9.5124 9.5124 9.5648 9.5648 9.6773 9.6773 9.9858 9.9858 10.6178 10.6178 11.1157 11.1157 12.0000 12.0000 12.3731 12.3731 k = 0.3000-0.0000-0.0000 ( 3246 PWs) bands (ev): -2.5898 -2.5898 -0.4189 -0.4189 0.6750 0.6750 1.0422 1.0422 5.5954 5.5954 5.8265 5.8265 6.3334 6.3334 6.4459 6.4459 7.2937 7.2937 7.3899 7.3899 8.0938 8.0938 8.1484 8.1484 8.3199 8.3199 9.0923 9.0923 9.4758 9.4758 9.5567 9.5567 9.6719 9.6719 9.9939 9.9939 10.6206 10.6206 11.0799 11.0799 11.9980 11.9980 12.3023 12.3023 k = 0.3091-0.0000-0.0000 ( 3252 PWs) bands (ev): -2.5045 -2.5045 -0.3700 -0.3700 0.7417 0.7417 1.0999 1.0999 5.5699 5.5699 5.8200 5.8200 6.3244 6.3244 6.4819 6.4819 7.2009 7.2009 7.3759 7.3759 8.0209 8.0209 8.1456 8.1456 8.3232 8.3232 9.0663 9.0663 9.4415 9.4415 9.5496 9.5496 9.6675 9.6675 10.0024 10.0024 10.6249 10.6249 11.0504 11.0504 11.9962 11.9962 12.2422 12.2422 k = 0.3182-0.0000-0.0000 ( 3248 PWs) bands (ev): -2.4173 -2.4173 -0.3230 -0.3230 0.8090 0.8090 1.1578 1.1578 5.4741 5.4741 5.8786 5.8786 6.3112 6.3112 6.5327 6.5327 7.0931 7.0931 7.3539 7.3539 7.9476 7.9476 8.1487 8.1487 8.3355 8.3355 9.0334 9.0334 9.4115 9.4115 9.5427 9.5427 9.6644 9.6644 10.0110 10.0110 10.6308 10.6308 11.0266 11.0266 11.9947 11.9947 12.1929 12.1929 k = 0.3273-0.0000-0.0000 ( 3240 PWs) bands (ev): -2.3283 -2.3283 -0.2782 -0.2782 0.8770 0.8770 1.2157 1.2157 5.3580 5.3580 5.9584 5.9584 6.2951 6.2951 6.5915 6.5915 6.9746 6.9746 7.3204 7.3204 7.8841 7.8841 8.1523 8.1523 8.3518 8.3518 8.9934 8.9934 9.3867 9.3867 9.5358 9.5358 9.6628 9.6628 10.0196 10.0196 10.6380 10.6380 11.0077 11.0077 11.9936 11.9936 12.1540 12.1540 k = 0.3364-0.0000-0.0000 ( 3244 PWs) bands (ev): -2.2377 -2.2377 -0.2362 -0.2362 0.9452 0.9452 1.2733 1.2733 5.2388 5.2388 6.0452 6.0452 6.2769 6.2769 6.6541 6.6541 6.8497 6.8497 7.2728 7.2728 7.8340 7.8340 8.1556 8.1556 8.3687 8.3687 8.9468 8.9468 9.3676 9.3676 9.5286 9.5286 9.6629 9.6629 10.0280 10.0280 10.6467 10.6467 10.9928 10.9928 11.9928 11.9928 12.1254 12.1254 k = 0.3455-0.0000-0.0000 ( 3240 PWs) bands (ev): -2.1454 -2.1454 -0.1977 -0.1977 1.0136 1.0136 1.3303 1.3303 5.1222 5.1222 6.1350 6.1350 6.2571 6.2571 6.6931 6.6931 6.7460 6.7460 7.2114 7.2114 7.7982 7.7982 8.1585 8.1585 8.3837 8.3837 8.8946 8.8946 9.3533 9.3533 9.5212 9.5212 9.6652 9.6652 10.0360 10.0360 10.6565 10.6565 10.9816 10.9816 11.9925 11.9925 12.1066 12.1066 k = 0.3545-0.0000-0.0000 ( 3242 PWs) bands (ev): -2.0516 -2.0516 -0.1632 -0.1632 1.0819 1.0819 1.3865 1.3865 5.0109 5.0109 6.2206 6.2206 6.2418 6.2418 6.5759 6.5759 6.7973 6.7973 7.1384 7.1384 7.7754 7.7754 8.1604 8.1604 8.3952 8.3952 8.8383 8.8383 9.3430 9.3430 9.5134 9.5134 9.6700 9.6700 10.0433 10.0433 10.6674 10.6674 10.9734 10.9734 11.9927 11.9927 12.0972 12.0972 k = 0.3636-0.0000-0.0000 ( 3240 PWs) bands (ev): -1.9566 -1.9566 -0.1333 -0.1333 1.1497 1.1497 1.4416 1.4416 4.9068 4.9068 6.2107 6.2107 6.3200 6.3200 6.4421 6.4421 6.8665 6.8665 7.0571 7.0571 7.7629 7.7629 8.1610 8.1610 8.4018 8.4018 8.7793 8.7793 9.3360 9.3360 9.5054 9.5054 9.6775 9.6775 10.0499 10.0499 10.6795 10.6795 10.9677 10.9677 11.9936 11.9936 12.0966 12.0966 k = 0.3727-0.0000-0.0000 ( 3246 PWs) bands (ev): -1.8604 -1.8604 -0.1087 -0.1087 1.2169 1.2169 1.4951 1.4951 4.8111 4.8111 6.1873 6.1873 6.2969 6.2969 6.4207 6.4207 6.9375 6.9375 6.9713 6.9713 7.7582 7.7582 8.1598 8.1598 8.4024 8.4024 8.7190 8.7190 9.3314 9.3314 9.4970 9.4970 9.6880 9.6880 10.0557 10.0557 10.6927 10.6927 10.9639 10.9639 11.9953 11.9953 12.1044 12.1044 k = 0.3818-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.7632 -1.7632 -0.0902 -0.0902 1.2830 1.2830 1.5469 1.5469 4.7249 4.7249 6.1590 6.1590 6.1649 6.1649 6.5113 6.5113 6.8846 6.8846 7.0091 7.0091 7.7593 7.7593 8.1566 8.1566 8.3964 8.3964 8.6582 8.6582 9.3288 9.3288 9.4884 9.4884 9.7013 9.7013 10.0605 10.0605 10.7069 10.7069 10.9616 10.9616 11.9978 11.9978 12.1199 12.1199 k = 0.3909-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.6651 -1.6651 -0.0782 -0.0782 1.3478 1.3478 1.5964 1.5964 4.6492 4.6492 6.0241 6.0241 6.1385 6.1385 6.5980 6.5980 6.8040 6.8040 7.0808 7.0808 7.7646 7.7646 8.1511 8.1511 8.3832 8.3832 8.5981 8.5981 9.3278 9.3278 9.4795 9.4795 9.7176 9.7176 10.0641 10.0641 10.7219 10.7219 10.9605 10.9605 12.0016 12.0016 12.1427 12.1427 k = 0.4000-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.5665 -1.5665 -0.0734 -0.0734 1.4108 1.4108 1.6432 1.6432 4.5847 4.5847 5.8888 5.8888 6.1142 6.1142 6.6427 6.6427 6.7671 6.7671 7.1523 7.1523 7.7733 7.7733 8.1430 8.1430 8.3628 8.3628 8.5390 8.5390 9.3280 9.3280 9.4705 9.4705 9.7365 9.7365 10.0664 10.0664 10.7378 10.7378 10.9601 10.9601 12.0066 12.0066 12.1722 12.1722 k = 0.4091-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.4676 -1.4676 -0.0763 -0.0763 1.4716 1.4716 1.6870 1.6870 4.5321 4.5321 5.7557 5.7557 6.0906 6.0906 6.5906 6.5906 6.8297 6.8297 7.2231 7.2231 7.7846 7.7846 8.1320 8.1320 8.3353 8.3353 8.4816 8.4816 9.3293 9.3293 9.4614 9.4614 9.7577 9.7577 10.0674 10.0674 10.7542 10.7542 10.9601 10.9601 12.0133 12.0133 12.2078 12.2078 k = 0.4182-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.3686 -1.3686 -0.0871 -0.0871 1.5299 1.5299 1.7272 1.7272 4.4919 4.4919 5.6255 5.6255 6.0685 6.0685 6.5147 6.5147 6.9194 6.9194 7.2930 7.2930 7.7984 7.7984 8.1179 8.1179 8.3010 8.3010 8.4259 8.4259 9.3314 9.3314 9.4522 9.4522 9.7806 9.7806 10.0670 10.0670 10.7713 10.7713 10.9600 10.9600 12.0217 12.0217 12.2489 12.2489 k = 0.4273-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.2698 -1.2698 -0.1063 -0.1063 1.5851 1.5851 1.7635 1.7635 4.4643 4.4643 5.4990 5.4990 6.0483 6.0483 6.4387 6.4387 7.0132 7.0132 7.3616 7.3616 7.8142 7.8142 8.1006 8.1006 8.2608 8.2608 8.3718 8.3718 9.3341 9.3341 9.4431 9.4431 9.8047 9.8047 10.0651 10.0651 10.7887 10.7887 10.9597 10.9597 12.0324 12.0324 12.2949 12.2949 k = 0.4364-0.0000-0.0000 ( 3254 PWs) bands (ev): -1.1716 -1.1716 -0.1337 -0.1337 1.6368 1.6368 1.7953 1.7953 4.4497 4.4497 5.3765 5.3765 6.0308 6.0308 6.3665 6.3665 7.1076 7.1076 7.4286 7.4286 7.8318 7.8318 8.0797 8.0797 8.2155 8.2155 8.3193 8.3193 9.3376 9.3376 9.4340 9.4340 9.8295 9.8295 10.0616 10.0616 10.8063 10.8063 10.9587 10.9587 12.0456 12.0456 12.3451 12.3451 k = 0.4455-0.0000-0.0000 ( 3248 PWs) bands (ev): -1.0744 -1.0744 -0.1695 -0.1695 1.6845 1.6845 1.8223 1.8223 4.4479 4.4479 5.2589 5.2589 6.0166 6.0166 6.2995 6.2995 7.2015 7.2015 7.4936 7.4936 7.8514 7.8514 8.0552 8.0552 8.1657 8.1657 8.2684 8.2684 9.3417 9.3417 9.4251 9.4251 9.8546 9.8546 10.0563 10.0563 10.8239 10.8239 10.9569 10.9569 12.0617 12.0617 12.3988 12.3988 k = 0.4545-0.0000-0.0000 ( 3240 PWs) bands (ev): -0.9785 -0.9785 -0.2132 -0.2132 1.7278 1.7278 1.8441 1.8441 4.4587 4.4587 5.1466 5.1466 6.0065 6.0065 6.2384 6.2384 7.2943 7.2943 7.5562 7.5562 7.8726 7.8726 8.0265 8.0265 8.1123 8.1123 8.2196 8.2196 9.3463 9.3463 9.4163 9.4163 9.8793 9.8793 10.0494 10.0494 10.8413 10.8413 10.9539 10.9539 12.0812 12.0812 12.4545 12.4545 k = 0.4636-0.0000-0.0000 ( 3238 PWs) bands (ev): -0.8844 -0.8844 -0.2647 -0.2647 1.7662 1.7662 1.8601 1.8601 4.4818 4.4818 5.0402 5.0402 6.0009 6.0009 6.1840 6.1840 7.3853 7.3853 7.6158 7.6158 7.8950 7.8950 7.9929 7.9929 8.0566 8.0566 8.1732 8.1732 9.3515 9.3515 9.4078 9.4078 9.9033 9.9033 10.0406 10.0406 10.8583 10.8583 10.9494 10.9494 12.1046 12.1046 12.4757 12.4757 k = 0.4727-0.0000-0.0000 ( 3246 PWs) bands (ev): -0.7926 -0.7926 -0.3234 -0.3234 1.7992 1.7992 1.8702 1.8702 4.5168 4.5168 4.9404 4.9404 6.0007 6.0007 6.1364 6.1364 7.4741 7.4741 7.6715 7.6715 7.9154 7.9154 7.9545 7.9545 8.0030 8.0030 8.1297 8.1297 9.3570 9.3570 9.3994 9.3994 9.9263 9.9263 10.0299 10.0299 10.8743 10.8743 10.9435 10.9435 12.1322 12.1322 12.4111 12.4111 k = 0.4818-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.7036 -0.7036 -0.3887 -0.3887 1.8265 1.8265 1.8742 1.8742 4.5631 4.5631 4.8478 4.8478 6.0063 6.0063 6.0961 6.0961 7.5598 7.5598 7.7199 7.7199 7.8951 7.8951 7.9365 7.9365 7.9688 7.9688 8.0893 8.0893 9.3631 9.3631 9.3914 9.3914 9.9479 9.9479 10.0173 10.0173 10.8894 10.8894 10.9359 10.9359 12.1645 12.1645 12.3497 12.3497 k = 0.4909-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.6182 -0.6182 -0.4600 -0.4600 1.8479 1.8479 1.8718 1.8718 4.6200 4.6200 4.7630 4.7630 6.0183 6.0183 6.0630 6.0630 7.6405 7.6405 7.7454 7.7454 7.8557 7.8557 7.9014 7.9014 7.9871 7.9871 8.0519 8.0519 9.3695 9.3695 9.3838 9.3838 9.9680 9.9680 10.0027 10.0027 10.9033 10.9033 10.9267 10.9267 12.2021 12.2021 12.2945 12.2945 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5368 -0.5368 -0.5367 -0.5367 1.8630 1.8630 1.8630 1.8630 4.6869 4.6869 4.6869 4.6869 6.0371 6.0371 6.0371 6.0371 7.7108 7.7108 7.7108 7.7108 7.8647 7.8647 7.8647 7.8647 8.0176 8.0176 8.0176 8.0176 9.3765 9.3765 9.3765 9.3765 9.9862 9.9862 9.9863 9.9863 10.9157 10.9157 10.9158 10.9158 12.2453 12.2453 12.2454 12.2454 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5368 -0.5368 -0.5367 -0.5367 1.8630 1.8630 1.8630 1.8630 4.6869 4.6869 4.6869 4.6869 6.0371 6.0371 6.0371 6.0371 7.7108 7.7108 7.7108 7.7108 7.8647 7.8647 7.8647 7.8647 8.0176 8.0176 8.0176 8.0176 9.3765 9.3765 9.3765 9.3765 9.9862 9.9862 9.9863 9.9863 10.9157 10.9157 10.9158 10.9158 12.2453 12.2453 12.2454 12.2454 k = 0.5000 0.0091-0.0000 ( 3244 PWs) bands (ev): -0.5365 -0.5365 -0.5364 -0.5364 1.8625 1.8625 1.8629 1.8629 4.6872 4.6872 4.6889 4.6889 6.0342 6.0342 6.0370 6.0370 7.6990 7.6990 7.7006 7.7006 7.8509 7.8509 7.8640 7.8640 8.0325 8.0325 8.0409 8.0409 9.3719 9.3719 9.3758 9.3758 9.9848 9.9848 9.9876 9.9876 10.9143 10.9143 10.9186 10.9186 12.2439 12.2439 12.2448 12.2448 k = 0.5000 0.0181-0.0000 ( 3240 PWs) bands (ev): -0.5357 -0.5357 -0.5354 -0.5354 1.8614 1.8614 1.8621 1.8621 4.6896 4.6896 4.6930 4.6930 6.0282 6.0282 6.0338 6.0338 7.6691 7.6691 7.6708 7.6708 7.8341 7.8341 7.8536 7.8536 8.0768 8.0768 8.0884 8.0884 9.3622 9.3622 9.3699 9.3699 9.9833 9.9833 9.9888 9.9888 10.9143 10.9143 10.9228 10.9228 12.2405 12.2405 12.2423 12.2423 k = 0.5000 0.0272-0.0000 ( 3242 PWs) bands (ev): -0.5343 -0.5343 -0.5339 -0.5339 1.8597 1.8597 1.8607 1.8607 4.6943 4.6943 4.6994 4.6994 6.0192 6.0192 6.0276 6.0276 7.6283 7.6283 7.6289 7.6289 7.8196 7.8196 7.8421 7.8421 8.1344 8.1344 8.1472 8.1472 9.3477 9.3477 9.3591 9.3591 9.9817 9.9817 9.9896 9.9896 10.9159 10.9159 10.9282 10.9282 12.2351 12.2351 12.2380 12.2380 k = 0.5000 0.0363-0.0000 ( 3242 PWs) bands (ev): -0.5323 -0.5323 -0.5317 -0.5317 1.8573 1.8573 1.8587 1.8587 4.7011 4.7011 4.7079 4.7079 6.0072 6.0072 6.0182 6.0182 7.5824 7.5824 7.5830 7.5830 7.8060 7.8060 7.8307 7.8307 8.1971 8.1971 8.2108 8.2108 9.3294 9.3294 9.3440 9.3440 9.9800 9.9800 9.9901 9.9901 10.9188 10.9188 10.9346 10.9346 12.2281 12.2281 12.2321 12.2321 k = 0.5000 0.0453-0.0000 ( 3246 PWs) bands (ev): -0.5298 -0.5298 -0.5291 -0.5291 1.8544 1.8544 1.8561 1.8561 4.7101 4.7101 4.7185 4.7185 5.9923 5.9923 6.0056 6.0056 7.5355 7.5355 7.5372 7.5372 7.7919 7.7919 7.8188 7.8188 8.2610 8.2610 8.2760 8.2760 9.3080 9.3080 9.3256 9.3256 9.9780 9.9780 9.9900 9.9900 10.9232 10.9232 10.9419 10.9419 12.2195 12.2195 12.2248 12.2248 k = 0.5000 0.0544-0.0000 ( 3250 PWs) bands (ev): -0.5267 -0.5267 -0.5259 -0.5259 1.8509 1.8509 1.8529 1.8529 4.7211 4.7211 4.7312 4.7312 5.9745 5.9745 5.9901 5.9901 7.4908 7.4908 7.4933 7.4933 7.7762 7.7762 7.8056 7.8056 8.3235 8.3235 8.3405 8.3405 9.2849 9.2849 9.3049 9.3049 9.9756 9.9756 9.9892 9.9892 10.9289 10.9289 10.9498 10.9498 12.2098 12.2098 12.2164 12.2164 k = 0.5000 0.0634-0.0000 ( 3242 PWs) bands (ev): -0.5232 -0.5232 -0.5222 -0.5222 1.8469 1.8469 1.8492 1.8492 4.7341 4.7341 4.7459 4.7459 5.9540 5.9540 5.9715 5.9715 7.4495 7.4495 7.4526 7.4526 7.7588 7.7588 7.7907 7.7907 8.3826 8.3826 8.4024 8.4024 9.2614 9.2614 9.2833 9.2833 9.9729 9.9729 9.9877 9.9877 10.9359 10.9359 10.9584 10.9584 12.1992 12.1992 12.2073 12.2073 k = 0.5000 0.0725-0.0000 ( 3238 PWs) bands (ev): -0.5191 -0.5191 -0.5180 -0.5180 1.8424 1.8424 1.8450 1.8450 4.7490 4.7490 4.7624 4.7624 5.9308 5.9308 5.9500 5.9500 7.4124 7.4124 7.4158 7.4158 7.7395 7.7395 7.7740 7.7740 8.4362 8.4362 8.4596 8.4596 9.2392 9.2392 9.2622 9.2622 9.9696 9.9696 9.9853 9.9853 10.9441 10.9441 10.9676 10.9676 12.1881 12.1881 12.1977 12.1977 k = 0.5000 0.0816-0.0000 ( 3238 PWs) bands (ev): -0.5147 -0.5147 -0.5134 -0.5134 1.8375 1.8375 1.8404 1.8404 4.7657 4.7657 4.7807 4.7807 5.9053 5.9053 5.9259 5.9259 7.3799 7.3799 7.3833 7.3833 7.7181 7.7181 7.7553 7.7553 8.4822 8.4822 8.5104 8.5104 9.2202 9.2202 9.2435 9.2435 9.9657 9.9657 9.9821 9.9821 10.9536 10.9536 10.9772 10.9772 12.1768 12.1768 12.1879 12.1879 k = 0.5000 0.0906-0.0000 ( 3234 PWs) bands (ev): -0.5098 -0.5098 -0.5085 -0.5085 1.8321 1.8321 1.8353 1.8353 4.7840 4.7840 4.8007 4.8007 5.8777 5.8777 5.8995 5.8995 7.3520 7.3520 7.3555 7.3555 7.6947 7.6947 7.7345 7.7345 8.5187 8.5187 8.5527 8.5527 9.2063 9.2063 9.2290 9.2290 9.9611 9.9611 9.9780 9.9780 10.9642 10.9642 10.9875 10.9875 12.1658 12.1658 12.1784 12.1784 k = 0.5000 0.0997-0.0000 ( 3236 PWs) bands (ev): -0.5047 -0.5047 -0.5032 -0.5032 1.8265 1.8265 1.8300 1.8300 4.8040 4.8040 4.8222 4.8222 5.8483 5.8483 5.8709 5.8709 7.3288 7.3288 7.3322 7.3322 7.6696 7.6696 7.7118 7.7118 8.5438 8.5438 8.5845 8.5845 9.1992 9.1992 9.2206 9.2206 9.9558 9.9558 9.9731 9.9731 10.9761 10.9761 10.9983 10.9983 12.1554 12.1554 12.1693 12.1693 k = 0.5000 0.1088-0.0000 ( 3240 PWs) bands (ev): -0.4992 -0.4992 -0.4976 -0.4976 1.8206 1.8206 1.8243 1.8243 4.8253 4.8253 4.8451 4.8451 5.8174 5.8174 5.8407 5.8407 7.3101 7.3101 7.3133 7.3133 7.6428 7.6428 7.6873 7.6873 8.5567 8.5567 8.6046 8.6046 9.1996 9.1996 9.2194 9.2194 9.9499 9.9499 9.9674 9.9674 10.9891 10.9891 11.0097 11.0097 12.1457 12.1457 12.1608 12.1608 k = 0.5000 0.1178-0.0000 ( 3242 PWs) bands (ev): -0.4935 -0.4935 -0.4918 -0.4918 1.8144 1.8144 1.8184 1.8184 4.8479 4.8479 4.8692 4.8692 5.7855 5.7855 5.8093 5.8093 7.2956 7.2956 7.2987 7.2987 7.6147 7.6147 7.6610 7.6610 8.5577 8.5577 8.6126 8.6126 9.2073 9.2073 9.2258 9.2258 9.9433 9.9433 9.9611 9.9611 11.0032 11.0032 11.0218 11.0218 12.1370 12.1370 12.1532 12.1532 k = 0.5000 0.1269-0.0000 ( 3244 PWs) bands (ev): -0.4877 -0.4877 -0.4858 -0.4858 1.8081 1.8081 1.8123 1.8123 4.8715 4.8715 4.8943 4.8943 5.7531 5.7531 5.7770 5.7770 7.2847 7.2847 7.2880 7.2880 7.5855 7.5855 7.6333 7.6333 8.5480 8.5480 8.6095 8.6095 9.2211 9.2211 9.2388 9.2388 9.9362 9.9362 9.9543 9.9543 11.0182 11.0182 11.0346 11.0346 12.1294 12.1294 12.1466 12.1466 k = 0.5000 0.1359-0.0000 ( 3248 PWs) bands (ev): -0.4817 -0.4817 -0.4797 -0.4797 1.8018 1.8018 1.8062 1.8062 4.8961 4.8961 4.9202 4.9202 5.7204 5.7204 5.7444 5.7444 7.2771 7.2771 7.2809 7.2809 7.5559 7.5559 7.6044 7.6044 8.5298 8.5298 8.5971 8.5971 9.2388 9.2388 9.2568 9.2568 9.9288 9.9288 9.9472 9.9472 11.0341 11.0341 11.0480 11.0480 12.1229 12.1229 12.1408 12.1408 k = 0.5000 0.1450-0.0000 ( 3264 PWs) bands (ev): -0.4757 -0.4757 -0.4736 -0.4736 1.7954 1.7954 1.7999 1.7999 4.9212 4.9212 4.9467 4.9467 5.6879 5.6879 5.7118 5.7118 7.2719 7.2719 7.2769 7.2769 7.5263 7.5263 7.5748 7.5748 8.5053 8.5053 8.5774 8.5774 9.2586 9.2586 9.2776 9.2776 9.9210 9.9210 9.9400 9.9400 11.0504 11.0504 11.0618 11.0618 12.1175 12.1175 12.1360 12.1360 k = 0.5000 0.1541-0.0000 ( 3268 PWs) bands (ev): -0.4697 -0.4697 -0.4676 -0.4676 1.7890 1.7890 1.7938 1.7938 4.9467 4.9467 4.9736 4.9736 5.6561 5.6561 5.6798 5.6798 7.2684 7.2684 7.2754 7.2754 7.4977 7.4977 7.5450 7.5450 8.4764 8.4764 8.5527 8.5527 9.2790 9.2790 9.2996 9.2996 9.9133 9.9133 9.9329 9.9329 11.0670 11.0670 11.0758 11.0758 12.1131 12.1131 12.1321 12.1321 k = 0.5000 0.1631-0.0000 ( 3272 PWs) bands (ev): -0.4638 -0.4638 -0.4616 -0.4616 1.7828 1.7828 1.7877 1.7877 4.9724 4.9724 5.0005 5.0005 5.6252 5.6252 5.6486 5.6486 7.2652 7.2652 7.2758 7.2758 7.4712 7.4712 7.5155 7.5155 8.4446 8.4446 8.5245 8.5245 9.2985 9.2985 9.3212 9.3212 9.9057 9.9057 9.9262 9.9262 11.0836 11.0836 11.0899 11.0899 12.1096 12.1096 12.1291 12.1291 k = 0.5000 0.1722-0.0000 ( 3274 PWs) bands (ev): -0.4581 -0.4581 -0.4557 -0.4557 1.7768 1.7768 1.7818 1.7818 4.9979 4.9979 5.0272 5.0272 5.5956 5.5956 5.6187 5.6187 7.2611 7.2611 7.2773 7.2773 7.4482 7.4482 7.4874 7.4874 8.4114 8.4114 8.4943 8.4943 9.3163 9.3163 9.3416 9.3416 9.8984 9.8984 9.9198 9.9198 11.0999 11.0999 11.1039 11.1039 12.1070 12.1070 12.1267 12.1267 k = 0.5000 0.1813-0.0000 ( 3278 PWs) bands (ev): -0.4525 -0.4525 -0.4502 -0.4502 1.7710 1.7710 1.7762 1.7762 5.0229 5.0229 5.0534 5.0534 5.5676 5.5676 5.5904 5.5904 7.2543 7.2543 7.2787 7.2787 7.4305 7.4305 7.4618 7.4618 8.3776 8.3776 8.4632 8.4632 9.3321 9.3321 9.3600 9.3600 9.8916 9.8916 9.9141 9.9141 11.1154 11.1154 11.1173 11.1173 12.1050 12.1050 12.1249 12.1249 k = 0.5000 0.1903-0.0000 ( 3278 PWs) bands (ev): -0.4473 -0.4473 -0.4449 -0.4449 1.7655 1.7655 1.7708 1.7708 5.0471 5.0471 5.0787 5.0787 5.5415 5.5415 5.5639 5.5639 7.2437 7.2437 7.2786 7.2786 7.4191 7.4191 7.4402 7.4402 8.3442 8.3442 8.4321 8.4321 9.3456 9.3456 9.3762 9.3762 9.8853 9.8853 9.9089 9.9089 11.1300 11.1300 11.1302 11.1302 12.1037 12.1037 12.1237 12.1237 k = 0.5000 0.1994-0.0000 ( 3278 PWs) bands (ev): -0.4425 -0.4425 -0.4399 -0.4399 1.7604 1.7604 1.7658 1.7658 5.0702 5.0702 5.1027 5.1027 5.5176 5.5176 5.5396 5.5396 7.2292 7.2292 7.2753 7.2753 7.4141 7.4141 7.4242 7.4242 8.3119 8.3119 8.4018 8.4018 9.3569 9.3569 9.3901 9.3901 9.8797 9.8797 9.9045 9.9045 11.1420 11.1420 11.1436 11.1436 12.1028 12.1028 12.1229 12.1229 k = 0.5000 0.2084-0.0000 ( 3282 PWs) bands (ev): -0.4380 -0.4380 -0.4354 -0.4354 1.7558 1.7558 1.7613 1.7613 5.0917 5.0917 5.1251 5.1251 5.4960 5.4960 5.5176 5.5176 7.2121 7.2121 7.2679 7.2679 7.4144 7.4144 7.4149 7.4149 8.2812 8.2812 8.3730 8.3730 9.3661 9.3661 9.4017 9.4017 9.8748 9.8748 9.9007 9.9007 11.1528 11.1528 11.1558 11.1558 12.1023 12.1023 12.1224 12.1224 k = 0.5000 0.2175-0.0000 ( 3278 PWs) bands (ev): -0.4340 -0.4340 -0.4314 -0.4314 1.7517 1.7517 1.7572 1.7572 5.1114 5.1114 5.1455 5.1455 5.4769 5.4769 5.4982 5.4982 7.1939 7.1939 7.2570 7.2570 7.4118 7.4118 7.4183 7.4183 8.2530 8.2530 8.3463 8.3463 9.3734 9.3734 9.4112 9.4112 9.8708 9.8708 9.8977 9.8977 11.1624 11.1624 11.1666 11.1666 12.1020 12.1020 12.1221 12.1221 k = 0.5000 0.2266-0.0000 ( 3274 PWs) bands (ev): -0.4305 -0.4305 -0.4279 -0.4279 1.7481 1.7481 1.7537 1.7537 5.1288 5.1288 5.1636 5.1636 5.4605 5.4605 5.4815 5.4815 7.1763 7.1763 7.2440 7.2440 7.4132 7.4132 7.4241 7.4241 8.2276 8.2276 8.3223 8.3223 9.3790 9.3790 9.4187 9.4187 9.8674 9.8674 9.8953 9.8953 11.1707 11.1707 11.1758 11.1758 12.1019 12.1019 12.1220 12.1220 k = 0.5000 0.2356-0.0000 ( 3266 PWs) bands (ev): -0.4276 -0.4276 -0.4249 -0.4249 1.7451 1.7451 1.7507 1.7507 5.1436 5.1436 5.1790 5.1790 5.4469 5.4469 5.4676 5.4676 7.1605 7.1605 7.2311 7.2311 7.4170 7.4170 7.4307 7.4307 8.2058 8.2058 8.3017 8.3017 9.3831 9.3831 9.4245 9.4245 9.8648 9.8648 9.8935 9.8935 11.1776 11.1776 11.1834 11.1834 12.1020 12.1020 12.1220 12.1220 k = 0.5000 0.2447-0.0000 ( 3266 PWs) bands (ev): -0.4253 -0.4253 -0.4226 -0.4226 1.7427 1.7427 1.7484 1.7484 5.1555 5.1555 5.1913 5.1913 5.4362 5.4362 5.4567 5.4567 7.1473 7.1473 7.2196 7.2196 7.4216 7.4216 7.4368 7.4368 8.1881 8.1881 8.2849 8.2849 9.3861 9.3861 9.4287 9.4287 9.8628 9.8628 9.8921 9.8921 11.1830 11.1830 11.1894 11.1894 12.1021 12.1021 12.1220 12.1220 k = 0.5000 0.2538-0.0000 ( 3260 PWs) bands (ev): -0.4237 -0.4237 -0.4209 -0.4209 1.7410 1.7410 1.7467 1.7467 5.1642 5.1642 5.2003 5.2003 5.4285 5.4285 5.4489 5.4489 7.1375 7.1375 7.2108 7.2108 7.4257 7.4257 7.4418 7.4418 8.1750 8.1750 8.2726 8.2726 9.3881 9.3881 9.4315 9.4315 9.8614 9.8614 9.8912 9.8912 11.1868 11.1868 11.1936 11.1936 12.1022 12.1022 12.1221 12.1221 k = 0.5000 0.2628-0.0000 ( 3252 PWs) bands (ev): -0.4227 -0.4227 -0.4199 -0.4199 1.7400 1.7400 1.7457 1.7457 5.1695 5.1695 5.2058 5.2058 5.4239 5.4239 5.4441 5.4441 7.1314 7.1314 7.2053 7.2053 7.4285 7.4285 7.4451 7.4451 8.1669 8.1669 8.2650 8.2650 9.3892 9.3892 9.4332 9.4332 9.8606 9.8606 9.8907 9.8907 11.1892 11.1892 11.1962 11.1962 12.1023 12.1023 12.1222 12.1222 k = 0.5000 0.2719-0.0000 ( 3252 PWs) bands (ev): -0.4223 -0.4223 -0.4196 -0.4196 1.7396 1.7396 1.7454 1.7454 5.1713 5.1713 5.2076 5.2076 5.4224 5.4224 5.4426 5.4426 7.1294 7.1294 7.2034 7.2034 7.4294 7.4294 7.4461 7.4461 8.1642 8.1642 8.2624 8.2624 9.3896 9.3896 9.4338 9.4338 9.8604 9.8604 9.8905 9.8905 11.1900 11.1900 11.1971 11.1971 12.1023 12.1023 12.1222 12.1222 k = 0.5000 0.2719-0.0000 ( 3252 PWs) bands (ev): -0.4223 -0.4223 -0.4196 -0.4196 1.7396 1.7396 1.7454 1.7454 5.1713 5.1713 5.2076 5.2076 5.4224 5.4224 5.4426 5.4426 7.1294 7.1294 7.2034 7.2034 7.4294 7.4294 7.4461 7.4461 8.1642 8.1642 8.2624 8.2624 9.3896 9.3896 9.4338 9.4338 9.8604 9.8604 9.8905 9.8905 11.1900 11.1900 11.1971 11.1971 12.1023 12.1023 12.1222 12.1222 k = 0.4909 0.2719-0.0000 ( 3256 PWs) bands (ev): -0.4265 -0.4265 -0.4238 -0.4238 1.7378 1.7378 1.7436 1.7436 5.1634 5.1634 5.1992 5.1992 5.4392 5.4392 5.4601 5.4601 7.1212 7.1212 7.1957 7.1957 7.4299 7.4299 7.4469 7.4469 8.1711 8.1711 8.2694 8.2694 9.3897 9.3897 9.4338 9.4338 9.8601 9.8601 9.8902 9.8902 11.1902 11.1902 11.1972 11.1972 12.1034 12.1034 12.1232 12.1232 k = 0.4818 0.2719-0.0000 ( 3264 PWs) bands (ev): -0.4390 -0.4390 -0.4363 -0.4363 1.7325 1.7325 1.7383 1.7383 5.1455 5.1455 5.1805 5.1805 5.4839 5.4839 5.5062 5.5062 7.0974 7.0974 7.1731 7.1731 7.4315 7.4315 7.4493 7.4493 8.1911 8.1911 8.2895 8.2895 9.3900 9.3900 9.4340 9.4340 9.8591 9.8591 9.8892 9.8892 11.1911 11.1911 11.1980 11.1980 12.1064 12.1064 12.1263 12.1263 k = 0.4727 0.2719-0.0000 ( 3268 PWs) bands (ev): -0.4596 -0.4596 -0.4569 -0.4569 1.7234 1.7234 1.7292 1.7292 5.1269 5.1269 5.1615 5.1615 5.5470 5.5470 5.5705 5.5705 7.0599 7.0599 7.1372 7.1372 7.4346 7.4346 7.4535 7.4535 8.2220 8.2220 8.3208 8.3208 9.3905 9.3905 9.4343 9.4343 9.8576 9.8576 9.8876 9.8876 11.1926 11.1926 11.1992 11.1992 12.1116 12.1116 12.1314 12.1314 k = 0.4636 0.2719-0.0000 ( 3264 PWs) bands (ev): -0.4878 -0.4878 -0.4852 -0.4852 1.7103 1.7103 1.7162 1.7162 5.1134 5.1134 5.1484 5.1484 5.6220 5.6220 5.6466 5.6466 7.0111 7.0111 7.0905 7.0905 7.4398 7.4398 7.4598 7.4598 8.2615 8.2615 8.3607 8.3607 9.3913 9.3913 9.4347 9.4347 9.8555 9.8555 9.8854 9.8854 11.1949 11.1949 11.2011 11.2011 12.1188 12.1188 12.1384 12.1384 k = 0.4545 0.2719-0.0000 ( 3260 PWs) bands (ev): -0.5232 -0.5232 -0.5206 -0.5206 1.6930 1.6930 1.6989 1.6989 5.1079 5.1079 5.1437 5.1437 5.7056 5.7056 5.7312 5.7312 6.9539 6.9539 7.0355 7.0355 7.4471 7.4471 7.4683 7.4683 8.3067 8.3067 8.4066 8.4066 9.3924 9.3924 9.4353 9.4353 9.8528 9.8528 9.8826 9.8826 11.1980 11.1980 11.2038 11.2038 12.1277 12.1277 12.1473 12.1473 k = 0.4455 0.2719-0.0000 ( 3260 PWs) bands (ev): -0.5651 -0.5651 -0.5626 -0.5626 1.6712 1.6712 1.6771 1.6771 5.1116 5.1116 5.1488 5.1488 5.7953 5.7953 5.8219 5.8219 6.8906 6.8906 6.9749 6.9749 7.4568 7.4568 7.4790 7.4790 8.3555 8.3555 8.4560 8.4560 9.3938 9.3938 9.4361 9.4361 9.8495 9.8495 9.8791 9.8791 11.2020 11.2020 11.2073 11.2073 12.1381 12.1381 12.1577 12.1577 k = 0.4364 0.2719-0.0000 ( 3254 PWs) bands (ev): -0.6128 -0.6128 -0.6104 -0.6104 1.6446 1.6446 1.6506 1.6506 5.1250 5.1250 5.1641 5.1641 5.8895 5.8895 5.9172 5.9172 6.8237 6.8237 6.9111 6.9111 7.4688 7.4688 7.4922 7.4922 8.4059 8.4059 8.5071 8.5071 9.3958 9.3958 9.4372 9.4372 9.8456 9.8456 9.8751 9.8751 11.2070 11.2070 11.2119 11.2119 12.1499 12.1499 12.1694 12.1694 k = 0.4273 0.2719-0.0000 ( 3258 PWs) bands (ev): -0.6658 -0.6658 -0.6635 -0.6635 1.6134 1.6134 1.6194 1.6194 5.1478 5.1478 5.1895 5.1895 5.9863 5.9863 6.0153 6.0153 6.7554 6.7554 6.8468 6.8468 7.4832 7.4832 7.5080 7.5080 8.4564 8.4564 8.5583 8.5583 9.3980 9.3980 9.4385 9.4385 9.8411 9.8411 9.8705 9.8705 11.2132 11.2132 11.2177 11.2177 12.1626 12.1626 12.1820 12.1820 k = 0.4182 0.2719-0.0000 ( 3262 PWs) bands (ev): -0.7233 -0.7233 -0.7211 -0.7211 1.5773 1.5773 1.5834 1.5834 5.1794 5.1794 5.2243 5.2243 6.0836 6.0836 6.1140 6.1140 6.6886 6.6886 6.7846 6.7846 7.5002 7.5002 7.5265 7.5265 8.5059 8.5059 8.6084 8.6084 9.4008 9.4008 9.4400 9.4400 9.8362 9.8362 9.8654 9.8654 11.2208 11.2208 11.2250 11.2250 12.1757 12.1757 12.1953 12.1953 k = 0.4091 0.2719-0.0000 ( 3266 PWs) bands (ev): -0.7846 -0.7846 -0.7825 -0.7825 1.5367 1.5367 1.5428 1.5428 5.2184 5.2184 5.2673 5.2673 6.1783 6.1783 6.2096 6.2096 6.6276 6.6276 6.7287 6.7287 7.5200 7.5200 7.5480 7.5480 8.5535 8.5535 8.6563 8.6563 9.4042 9.4042 9.4420 9.4420 9.8307 9.8307 9.8598 9.8598 11.2300 11.2300 11.2342 11.2342 12.1889 12.1889 12.2085 12.2085 k = 0.4000 0.2719-0.0000 ( 3268 PWs) bands (ev): -0.8492 -0.8492 -0.8472 -0.8472 1.4918 1.4918 1.4979 1.4979 5.2632 5.2632 5.3169 5.3169 6.2644 6.2644 6.2928 6.2928 6.5825 6.5825 6.6858 6.6858 7.5428 7.5428 7.5729 7.5729 8.5984 8.5984 8.7012 8.7012 9.4083 9.4083 9.4444 9.4444 9.8248 9.8248 9.8539 9.8539 11.2411 11.2411 11.2454 11.2454 12.2013 12.2013 12.2213 12.2213 k = 0.3909 0.2719-0.0000 ( 3264 PWs) bands (ev): -0.9165 -0.9165 -0.9146 -0.9146 1.4430 1.4430 1.4490 1.4490 5.3113 5.3113 5.3706 5.3706 6.3311 6.3311 6.3410 6.3410 6.5772 6.5772 6.6681 6.6681 7.5689 7.5689 7.6014 7.6014 8.6402 8.6402 8.7427 8.7427 9.4132 9.4132 9.4472 9.4472 9.8187 9.8187 9.8478 9.8478 11.2543 11.2543 11.2590 11.2590 12.2125 12.2125 12.2328 12.2328 k = 0.3818 0.2719-0.0000 ( 3264 PWs) bands (ev): -0.9859 -0.9859 -0.9841 -0.9841 1.3905 1.3905 1.3965 1.3965 5.3594 5.3594 5.4249 5.4249 6.3393 6.3393 6.3659 6.3659 6.6287 6.6287 6.6900 6.6900 7.5988 7.5988 7.6340 7.6340 8.6784 8.6784 8.7801 8.7801 9.4190 9.4190 9.4507 9.4507 9.8123 9.8123 9.8415 9.8415 11.2698 11.2698 11.2753 11.2753 12.2216 12.2216 12.2424 12.2424 k = 0.3727 0.2719-0.0000 ( 3260 PWs) bands (ev): -1.0570 -1.0570 -1.0552 -1.0552 1.3349 1.3349 1.3409 1.3409 5.4035 5.4035 5.4749 5.4749 6.3170 6.3170 6.3737 6.3737 6.7110 6.7110 6.7491 6.7491 7.6328 7.6328 7.6712 7.6712 8.7129 8.7129 8.8132 8.8132 9.4257 9.4257 9.4546 9.4546 9.8059 9.8059 9.8352 9.8352 11.2880 11.2880 11.2948 11.2948 12.2280 12.2280 12.2495 12.2495 k = 0.3636 0.2719-0.0000 ( 3262 PWs) bands (ev): -1.1292 -1.1292 -1.1276 -1.1276 1.2767 1.2767 1.2826 1.2826 5.4388 5.4388 5.5145 5.5145 6.3009 6.3009 6.3749 6.3749 6.8018 6.8018 6.8282 6.8282 7.6714 7.6714 7.7134 7.7134 8.7434 8.7434 8.8419 8.8419 9.4332 9.4332 9.4591 9.4591 9.7997 9.7997 9.8292 9.8292 11.3092 11.3092 11.3176 11.3176 12.2311 12.2311 12.2534 12.2534 k = 0.3545 0.2719-0.0000 ( 3262 PWs) bands (ev): -1.2023 -1.2023 -1.2008 -1.2008 1.2163 1.2163 1.2221 1.2221 5.4604 5.4604 5.5369 5.5369 6.3039 6.3039 6.3853 6.3853 6.8930 6.8930 6.9145 6.9145 7.7150 7.7150 7.7609 7.7609 8.7700 8.7700 8.8661 8.8661 9.4415 9.4415 9.4641 9.4641 9.7938 9.7938 9.8236 9.8236 11.3337 11.3337 11.3443 11.3443 12.2306 12.2306 12.2539 12.2539 k = 0.3455 0.2719-0.0000 ( 3268 PWs) bands (ev): -1.2759 -1.2759 -1.2744 -1.2744 1.1541 1.1541 1.1598 1.1598 5.4653 5.4653 5.5380 5.5380 6.3320 6.3320 6.4128 6.4128 6.9814 6.9814 7.0015 7.0015 7.7640 7.7640 7.8140 7.8140 8.7928 8.7928 8.8859 8.8859 9.4506 9.4506 9.4696 9.4696 9.7885 9.7885 9.8185 9.8185 11.3617 11.3617 11.3750 11.3750 12.2263 12.2263 12.2507 12.2507 k = 0.3364 0.2719-0.0000 ( 3268 PWs) bands (ev): -1.3496 -1.3496 -1.3482 -1.3482 1.0905 1.0905 1.0962 1.0962 5.4527 5.4527 5.5181 5.5181 6.3849 6.3849 6.4595 6.4595 7.0656 7.0656 7.0862 7.0862 7.8183 7.8183 7.8724 7.8724 8.8119 8.8119 8.9016 8.9016 9.4605 9.4605 9.4756 9.4756 9.7842 9.7842 9.8144 9.8144 11.3935 11.3935 11.4101 11.4101 12.2184 12.2184 12.2441 12.2441 k = 0.3273 0.2719-0.0000 ( 3272 PWs) bands (ev): -1.4231 -1.4231 -1.4218 -1.4218 1.0260 1.0260 1.0316 1.0316 5.4248 5.4248 5.4811 5.4811 6.4578 6.4578 6.5234 6.5234 7.1453 7.1453 7.1676 7.1676 7.8778 7.8778 7.9358 7.9358 8.8276 8.8276 8.9135 8.9135 9.4709 9.4709 9.4821 9.4821 9.7810 9.7810 9.8114 9.8114 11.4292 11.4292 11.4498 11.4498 12.2075 12.2075 12.2346 12.2346 k = 0.3182 0.2719-0.0000 ( 3272 PWs) bands (ev): -1.4963 -1.4963 -1.4950 -1.4950 0.9609 0.9609 0.9663 0.9663 5.3847 5.3847 5.4322 5.4322 6.5448 6.5448 6.6005 6.6005 7.2206 7.2206 7.2453 7.2453 7.9418 7.9418 8.0032 8.0032 8.8403 8.8403 8.9219 8.9219 9.4819 9.4819 9.4889 9.4889 9.7795 9.7795 9.8099 9.8099 11.4690 11.4690 11.4940 11.4940 12.1945 12.1945 12.2233 12.2233 k = 0.3091 0.2719-0.0000 ( 3272 PWs) bands (ev): -1.5688 -1.5688 -1.5676 -1.5676 0.8956 0.8956 0.9009 0.9009 5.3357 5.3357 5.3754 5.3754 6.6404 6.6404 6.6864 6.6864 7.2926 7.2926 7.3200 7.3200 8.0092 8.0092 8.0733 8.0733 8.8503 8.8503 8.9274 8.9274 9.4933 9.4933 9.4961 9.4961 9.7798 9.7798 9.8100 9.8100 11.5126 11.5126 11.5426 11.5426 12.1809 12.1809 12.2113 12.2113 k = 0.3000 0.2719-0.0000 ( 3262 PWs) bands (ev): -1.6405 -1.6405 -1.6394 -1.6394 0.8302 0.8302 0.8354 0.8354 5.2808 5.2808 5.3138 5.3138 6.7400 6.7400 6.7768 6.7768 7.3626 7.3626 7.3927 7.3927 8.0789 8.0789 8.1448 8.1448 8.8581 8.8581 8.9303 8.9303 9.5033 9.5033 9.5050 9.5050 9.7826 9.7826 9.8122 9.8122 11.5597 11.5597 11.5951 11.5951 12.1687 12.1687 12.2005 12.2005 k = 0.2909 0.2719-0.0000 ( 3250 PWs) bands (ev): -1.7113 -1.7113 -1.7102 -1.7102 0.7652 0.7652 0.7702 0.7702 5.2218 5.2218 5.2494 5.2494 6.8396 6.8396 6.8678 6.8678 7.4322 7.4322 7.4651 7.4651 8.1497 8.1497 8.2163 8.2163 8.8642 8.8642 8.9312 8.9312 9.5107 9.5107 9.5168 9.5168 9.7880 9.7880 9.8167 9.8167 11.6093 11.6093 11.6499 11.6499 12.1604 12.1604 12.1932 12.1932 k = 0.2818 0.2719-0.0000 ( 3254 PWs) bands (ev): -1.7808 -1.7808 -1.7798 -1.7798 0.7007 0.7007 0.7056 0.7056 5.1605 5.1605 5.1835 5.1835 6.9358 6.9358 6.9562 6.9562 7.5029 7.5029 7.5381 7.5381 8.2203 8.2203 8.2866 8.2866 8.8692 8.8692 8.9308 8.9308 9.5180 9.5180 9.5287 9.5287 9.7962 9.7962 9.8236 9.8236 11.6596 11.6596 11.7048 11.7048 12.1599 12.1599 12.1923 12.1923 k = 0.2727 0.2719-0.0000 ( 3248 PWs) bands (ev): -1.8491 -1.8491 -1.8482 -1.8482 0.6369 0.6369 0.6417 0.6417 5.0978 5.0978 5.1172 5.1172 7.0258 7.0258 7.0393 7.0393 7.5759 7.5759 7.6128 7.6128 8.2901 8.2901 8.3548 8.3548 8.8735 8.8735 8.9294 8.9294 9.5254 9.5254 9.5405 9.5405 9.8076 9.8076 9.8332 9.8332 11.7085 11.7085 11.7558 11.7558 12.1722 12.1722 12.2016 12.2016 k = 0.2636 0.2719-0.0000 ( 3252 PWs) bands (ev): -1.9159 -1.9159 -1.9150 -1.9150 0.5741 0.5741 0.5787 0.5787 5.0347 5.0347 5.0510 5.0510 7.1076 7.1076 7.1154 7.1154 7.6514 7.6514 7.6889 7.6889 8.3586 8.3586 8.4205 8.4205 8.8778 8.8778 8.9279 8.9279 9.5326 9.5326 9.5521 9.5521 9.8220 9.8220 9.8456 9.8456 11.7527 11.7527 11.7984 11.7984 12.2032 12.2032 12.2253 12.2253 k = 0.2545 0.2719-0.0000 ( 3252 PWs) bands (ev): -1.9812 -1.9812 -1.9804 -1.9804 0.5125 0.5125 0.5169 0.5169 4.9717 4.9717 4.9854 4.9854 7.1803 7.1803 7.1836 7.1836 7.7285 7.7285 7.7652 7.7652 8.4260 8.4260 8.4839 8.4839 8.8823 8.8823 8.9268 8.9268 9.5397 9.5397 9.5634 9.5634 9.8394 9.8394 9.8607 9.8607 11.7900 11.7900 11.8299 11.8299 12.2567 12.2567 12.2669 12.2669 k = 0.2455 0.2719-0.0000 ( 3244 PWs) bands (ev): -2.0448 -2.0448 -2.0440 -2.0440 0.4521 0.4521 0.4564 0.4564 4.9093 4.9093 4.9210 4.9210 7.2440 7.2440 7.2440 7.2440 7.8050 7.8050 7.8394 7.8394 8.4924 8.4924 8.5456 8.5456 8.8878 8.8878 8.9269 8.9269 9.5470 9.5470 9.5744 9.5744 9.8594 9.8594 9.8785 9.8785 11.8200 11.8200 11.8520 11.8520 12.3279 12.3279 12.3322 12.3322 k = 0.2364 0.2719-0.0000 ( 3240 PWs) bands (ev): -2.1067 -2.1067 -2.1060 -2.1060 0.3931 0.3931 0.3972 0.3972 4.8479 4.8479 4.8578 4.8578 7.2973 7.2973 7.2995 7.2995 7.8777 7.8777 7.9088 7.9088 8.5581 8.5581 8.6066 8.6066 8.8944 8.8944 8.9291 8.9291 9.5546 9.5546 9.5852 9.5852 9.8814 9.8814 9.8984 9.8984 11.8449 11.8449 11.8689 11.8689 12.4067 12.4067 12.4263 12.4263 k = 0.2273 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.1667 -2.1667 -2.1661 -2.1661 0.3356 0.3356 0.3396 0.3396 4.7877 4.7877 4.7961 4.7961 7.3446 7.3446 7.3481 7.3481 7.9435 7.9435 7.9708 7.9708 8.6228 8.6228 8.6676 8.6676 8.9028 8.9028 8.9345 8.9345 9.5625 9.5625 9.5959 9.5959 9.9049 9.9049 9.9200 9.9200 11.8683 11.8683 11.8856 11.8856 12.5007 12.5007 12.5350 12.5350 k = 0.2182 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.2249 -2.2249 -2.2242 -2.2242 0.2798 0.2798 0.2836 0.2836 4.7290 4.7290 4.7361 4.7361 7.3866 7.3866 7.3910 7.3910 7.9999 7.9999 8.0233 8.0233 8.6851 8.6851 8.7285 8.7285 8.9136 8.9136 8.9448 8.9448 9.5713 9.5713 9.6067 9.6067 9.9289 9.9289 9.9423 9.9423 11.8936 11.8936 11.9059 11.9059 12.6068 12.6068 12.6551 12.6551 k = 0.2091 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.2810 -2.2810 -2.2804 -2.2804 0.2257 0.2257 0.2294 0.2294 4.6719 4.6719 4.6779 4.6779 7.4242 7.4242 7.4291 7.4291 8.0457 8.0457 8.0656 8.0656 8.7420 8.7420 8.7875 8.7875 8.9283 8.9283 8.9624 8.9624 9.5813 9.5813 9.6183 9.6183 9.9524 9.9524 9.9645 9.9645 11.9241 11.9241 11.9329 11.9329 12.7220 12.7220 12.7841 12.7841 k = 0.2000 0.2719-0.0000 ( 3234 PWs) bands (ev): -2.3352 -2.3352 -2.3346 -2.3346 0.1734 0.1734 0.1770 0.1770 4.6166 4.6166 4.6217 4.6217 7.4581 7.4581 7.4633 7.4633 8.0807 8.0807 8.0978 8.0978 8.7894 8.7894 8.8397 8.8397 8.9504 8.9504 8.9897 8.9897 9.5931 9.5931 9.6310 9.6310 9.9748 9.9748 9.9857 9.9857 11.9622 11.9622 11.9689 11.9689 12.8437 12.8437 12.9199 12.9199 k = 0.1909 0.2719-0.0000 ( 3224 PWs) bands (ev): -2.3872 -2.3872 -2.3867 -2.3867 0.1231 0.1231 0.1265 0.1265 4.5632 4.5632 4.5676 4.5676 7.4890 7.4890 7.4942 7.4942 8.1059 8.1059 8.1210 8.1210 8.8251 8.8251 8.8788 8.8788 8.9846 8.9846 9.0270 9.0270 9.6071 9.6071 9.6454 9.6454 9.9951 9.9951 10.0052 10.0052 12.0098 12.0098 12.0157 12.0157 12.9694 12.9694 13.0601 13.0601 k = 0.1818 0.2719-0.0000 ( 3224 PWs) bands (ev): -2.4371 -2.4371 -2.4366 -2.4366 0.0748 0.0748 0.0780 0.0780 4.5119 4.5119 4.5156 4.5156 7.5170 7.5170 7.5223 7.5223 8.1225 8.1225 8.1362 8.1362 8.8509 8.8509 8.9044 8.9044 9.0288 9.0288 9.0707 9.0707 9.6238 9.6238 9.6618 9.6618 10.0127 10.0127 10.0220 10.0220 12.0683 12.0683 12.0745 12.0745 13.0961 13.0961 13.2023 13.2023 k = 0.1727 0.2719-0.0000 ( 3222 PWs) bands (ev): -2.4848 -2.4848 -2.4843 -2.4843 0.0284 0.0284 0.0315 0.0315 4.4626 4.4626 4.4657 4.4657 7.5426 7.5426 7.5477 7.5477 8.1324 8.1324 8.1450 8.1450 8.8703 8.8703 8.9225 8.9225 9.0750 9.0750 9.1153 9.1153 9.6432 9.6432 9.6803 9.6803 10.0272 10.0272 10.0357 10.0357 12.1384 12.1384 12.1460 12.1460 13.2208 13.2208 13.3428 13.3428 k = 0.1636 0.2719-0.0000 ( 3222 PWs) bands (ev): -2.5302 -2.5302 -2.5298 -2.5298 -0.0158 -0.0158 -0.0129 -0.0129 4.4156 4.4156 4.4182 4.4182 7.5659 7.5659 7.5709 7.5709 8.1368 8.1368 8.1488 8.1488 8.8864 8.8864 8.9376 8.9376 9.1176 9.1176 9.1567 9.1567 9.6652 9.6652 9.7008 9.7008 10.0384 10.0384 10.0460 10.0460 12.2204 12.2204 12.2305 12.2305 13.3399 13.3399 13.4768 13.4768 k = 0.1545 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.5734 -2.5734 -2.5730 -2.5730 -0.0578 -0.0578 -0.0551 -0.0551 4.3708 4.3708 4.3730 4.3730 7.5870 7.5870 7.5919 7.5919 8.1372 8.1372 8.1485 8.1485 8.9011 8.9011 8.9516 8.9516 9.1540 9.1540 9.1927 9.1927 9.6892 9.6892 9.7229 9.7229 10.0463 10.0463 10.0529 10.0529 12.3139 12.3139 12.3274 12.3274 13.4497 13.4497 13.5975 13.5975 k = 0.1455 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.6142 -2.6142 -2.6139 -2.6139 -0.0977 -0.0977 -0.0951 -0.0951 4.3283 4.3283 4.3301 4.3301 7.6062 7.6062 7.6109 7.6109 8.1347 8.1347 8.1455 8.1455 8.9153 8.9153 8.9654 8.9654 9.1836 9.1836 9.2225 9.2225 9.7140 9.7140 9.7455 9.7455 10.0513 10.0513 10.0568 10.0568 12.4180 12.4180 12.4359 12.4359 13.5469 13.5469 13.6977 13.6977 k = 0.1364 0.2719-0.0000 ( 3230 PWs) bands (ev): -2.6528 -2.6528 -2.6524 -2.6524 -0.1353 -0.1353 -0.1329 -0.1329 4.2882 4.2882 4.2897 4.2897 7.6236 7.6236 7.6280 7.6280 8.1301 8.1301 8.1403 8.1403 8.9295 8.9295 8.9795 8.9795 9.2067 9.2067 9.2463 9.2463 9.7382 9.7382 9.7675 9.7675 10.0541 10.0541 10.0583 10.0583 12.5310 12.5310 12.5543 12.5543 13.6295 13.6295 13.7735 13.7735 k = 0.1273 0.2719-0.0000 ( 3234 PWs) bands (ev): -2.6889 -2.6889 -2.6886 -2.6886 -0.1706 -0.1706 -0.1684 -0.1684 4.2504 4.2504 4.2517 4.2517 7.6390 7.6390 7.6432 7.6432 8.1241 8.1241 8.1337 8.1337 8.9441 8.9441 8.9940 8.9940 9.2243 9.2243 9.2647 9.2647 9.7603 9.7603 9.7873 9.7873 10.0556 10.0556 10.0585 10.0585 12.6511 12.6511 12.6807 12.6807 13.6974 13.6974 13.8262 13.8262 k = 0.1182 0.2719-0.0000 ( 3236 PWs) bands (ev): -2.7227 -2.7227 -2.7224 -2.7224 -0.2036 -0.2036 -0.2016 -0.2016 4.2152 4.2152 4.2163 4.2163 7.6528 7.6528 7.6567 7.6567 8.1173 8.1173 8.1263 8.1263 8.9593 8.9593 9.0091 9.0091 9.2371 9.2371 9.2787 9.2787 9.7787 9.7787 9.8034 9.8034 10.0569 10.0569 10.0585 10.0585 12.7754 12.7754 12.8122 12.8122 13.7518 13.7518 13.8595 13.8595 k = 0.1091 0.2719-0.0000 ( 3236 PWs) bands (ev): -2.7540 -2.7540 -2.7538 -2.7538 -0.2343 -0.2343 -0.2324 -0.2324 4.1824 4.1824 4.1833 4.1833 7.6649 7.6649 7.6685 7.6685 8.1102 8.1102 8.1184 8.1184 8.9750 8.9750 9.0249 9.0249 9.2462 9.2462 9.2889 9.2889 9.7922 9.7922 9.8146 9.8146 10.0591 10.0591 10.0595 10.0595 12.9005 12.9005 12.9455 12.9455 13.7950 13.7950 13.8764 13.8764 k = 0.1000 0.2719-0.0000 ( 3236 PWs) bands (ev): -2.7829 -2.7829 -2.7827 -2.7827 -0.2626 -0.2626 -0.2609 -0.2609 4.1522 4.1522 4.1529 4.1529 7.6754 7.6754 7.6786 7.6786 8.1030 8.1030 8.1105 8.1105 8.9913 8.9913 9.0412 9.0412 9.2523 9.2523 9.2962 9.2962 9.8000 9.8000 9.8200 9.8200 10.0625 10.0625 10.0629 10.0629 13.0224 13.0224 13.0760 13.0760 13.8293 13.8293 13.8870 13.8870 k = 0.0909 0.2719-0.0000 ( 3240 PWs) bands (ev): -2.8094 -2.8094 -2.8092 -2.8092 -0.2885 -0.2885 -0.2869 -0.2869 4.1245 4.1245 4.1250 4.1250 7.6844 7.6844 7.6873 7.6873 8.0961 8.0961 8.1029 8.1029 9.0081 9.0081 9.0580 9.0580 9.2561 9.2561 9.3010 9.3010 9.8021 9.8021 9.8196 9.8196 10.0678 10.0678 10.0687 10.0687 13.1361 13.1361 13.1976 13.1976 13.8566 13.8566 13.9027 13.9027 k = 0.0818 0.2719-0.0000 ( 3244 PWs) bands (ev): -2.8334 -2.8334 -2.8332 -2.8332 -0.3120 -0.3120 -0.3106 -0.3106 4.0993 4.0993 4.0998 4.0998 7.6920 7.6920 7.6946 7.6946 8.0896 8.0896 8.0957 8.0957 9.0253 9.0253 9.0752 9.0752 9.2581 9.2581 9.3040 9.3040 9.7990 9.7990 9.8139 9.8139 10.0751 10.0751 10.0763 10.0763 13.2365 13.2365 13.3032 13.3032 13.8786 13.8786 13.9244 13.9244 k = 0.0727 0.2719-0.0000 ( 3248 PWs) bands (ev): -2.8549 -2.8549 -2.8547 -2.8547 -0.3331 -0.3331 -0.3318 -0.3318 4.0768 4.0768 4.0772 4.0772 7.6983 7.6983 7.7006 7.7006 8.0838 8.0838 8.0890 8.0890 9.0428 9.0428 9.0924 9.0924 9.2587 9.2587 9.3053 9.3053 9.7918 9.7918 9.8043 9.8043 10.0839 10.0839 10.0851 10.0851 13.3196 13.3196 13.3863 13.3863 13.8965 13.8965 13.9413 13.9413 k = 0.0636 0.2719-0.0000 ( 3244 PWs) bands (ev): -2.8738 -2.8738 -2.8737 -2.8737 -0.3517 -0.3517 -0.3506 -0.3506 4.0568 4.0568 4.0571 4.0571 7.7035 7.7035 7.7054 7.7054 8.0786 8.0786 8.0831 8.0831 9.0604 9.0604 9.1094 9.1094 9.2583 9.2583 9.3053 9.3053 9.7819 9.7819 9.7921 9.7921 10.0933 10.0933 10.0944 10.0944 13.3836 13.3836 13.4447 13.4447 13.9110 13.9110 13.9507 13.9507 k = 0.0545 0.2719-0.0000 ( 3246 PWs) bands (ev): -2.8903 -2.8903 -2.8902 -2.8902 -0.3678 -0.3678 -0.3669 -0.3669 4.0395 4.0395 4.0398 4.0398 7.7077 7.7077 7.7093 7.7093 8.0740 8.0740 8.0779 8.0779 9.0777 9.0777 9.1255 9.1255 9.2575 9.2575 9.3040 9.3040 9.7705 9.7705 9.7785 9.7785 10.1025 10.1025 10.1035 10.1035 13.4300 13.4300 13.4820 13.4820 13.9229 13.9229 13.9563 13.9563 k = 0.0455 0.2719-0.0000 ( 3250 PWs) bands (ev): -2.9043 -2.9043 -2.9042 -2.9042 -0.3815 -0.3815 -0.3807 -0.3807 4.0249 4.0249 4.0251 4.0251 7.7109 7.7109 7.7122 7.7122 8.0703 8.0703 8.0734 8.0734 9.0946 9.0946 9.1402 9.1402 9.2566 9.2566 9.3016 9.3016 9.7587 9.7587 9.7648 9.7648 10.1109 10.1109 10.1118 10.1118 13.4624 13.4624 13.5040 13.5040 13.9326 13.9326 13.9599 13.9599 k = 0.0364 0.2719-0.0000 ( 3258 PWs) bands (ev): -2.9157 -2.9157 -2.9156 -2.9156 -0.3927 -0.3927 -0.3920 -0.3920 4.0129 4.0129 4.0130 4.0130 7.7134 7.7134 7.7144 7.7144 8.0672 8.0672 8.0697 8.0697 9.1107 9.1107 9.1524 9.1524 9.2564 9.2564 9.2979 9.2979 9.7475 9.7475 9.7519 9.7519 10.1183 10.1183 10.1190 10.1190 13.4846 13.4846 13.5163 13.5163 13.9405 13.9405 13.9619 13.9619 k = 0.0273 0.2719-0.0000 ( 3258 PWs) bands (ev): -2.9246 -2.9246 -2.9245 -2.9245 -0.4014 -0.4014 -0.4009 -0.4009 4.0035 4.0035 4.0036 4.0036 7.7153 7.7153 7.7160 7.7160 8.0650 8.0650 8.0668 8.0668 9.1256 9.1256 9.1610 9.1610 9.2577 9.2577 9.2931 9.2931 9.7378 9.7378 9.7409 9.7409 10.1243 10.1243 10.1248 10.1248 13.4997 13.4997 13.5224 13.5224 13.9470 13.9470 13.9627 13.9627 k = 0.0182 0.2719-0.0000 ( 3254 PWs) bands (ev): -2.9310 -2.9310 -2.9309 -2.9309 -0.4076 -0.4076 -0.4072 -0.4072 3.9968 3.9968 3.9969 3.9969 7.7165 7.7165 7.7170 7.7170 8.0635 8.0635 8.0647 8.0647 9.1391 9.1391 9.1650 9.1650 9.2611 9.2611 9.2873 9.2873 9.7305 9.7305 9.7324 9.7324 10.1287 10.1287 10.1291 10.1291 13.5101 13.5101 13.5247 13.5247 13.9522 13.9522 13.9625 13.9625 k = 0.0091 0.2719-0.0000 ( 3262 PWs) bands (ev): -2.9348 -2.9348 -2.9347 -2.9347 -0.4112 -0.4112 -0.4111 -0.4111 3.9928 3.9928 3.9929 3.9929 7.7173 7.7173 7.7175 7.7175 8.0627 8.0627 8.0633 8.0633 9.1504 9.1504 9.1642 9.1642 9.2666 9.2666 9.2806 9.2806 9.7259 9.7259 9.7269 9.7269 10.1313 10.1313 10.1316 10.1316 13.5171 13.5171 13.5242 13.5242 13.9562 13.9562 13.9613 13.9613 k = 0.0000 0.2719-0.0000 ( 3262 PWs) bands (ev): -2.9360 -2.9360 -2.9360 -2.9360 -0.4124 -0.4124 -0.4124 -0.4124 3.9915 3.9915 3.9915 3.9915 7.7176 7.7176 7.7176 7.7176 8.0626 8.0626 8.0627 8.0627 9.1590 9.1590 9.1591 9.1591 9.2734 9.2734 9.2735 9.2735 9.7247 9.7247 9.7247 9.7247 10.1323 10.1323 10.1324 10.1324 13.5217 13.5217 13.5217 13.5217 13.9592 13.9592 13.9593 13.9593 k = 0.0000 0.2719-0.0000 ( 3262 PWs) bands (ev): -2.9360 -2.9360 -2.9360 -2.9360 -0.4124 -0.4124 -0.4124 -0.4124 3.9915 3.9915 3.9915 3.9915 7.7176 7.7176 7.7176 7.7176 8.0626 8.0626 8.0627 8.0627 9.1590 9.1590 9.1591 9.1591 9.2734 9.2734 9.2735 9.2735 9.7247 9.7247 9.7247 9.7247 10.1323 10.1323 10.1324 10.1324 13.5217 13.5217 13.5217 13.5217 13.9592 13.9592 13.9593 13.9593 k = 0.0000 0.2628-0.0000 ( 3258 PWs) bands (ev): -3.0034 -3.0034 -2.8674 -2.8674 -0.4130 -0.4130 -0.4123 -0.4123 3.9823 3.9823 4.0063 4.0063 7.5837 7.5837 7.8354 7.8354 8.0587 8.0587 8.0733 8.0733 9.1413 9.1413 9.1742 9.1742 9.2627 9.2627 9.2886 9.2886 9.6980 9.6980 9.7498 9.7498 10.1289 10.1289 10.1360 10.1360 13.4464 13.4464 13.5629 13.5629 13.9674 13.9674 13.9869 13.9869 k = 0.0000 0.2538-0.0000 ( 3256 PWs) bands (ev): -3.0693 -3.0693 -2.7977 -2.7977 -0.4140 -0.4140 -0.4127 -0.4127 3.9786 3.9786 4.0268 4.0268 7.4402 7.4402 7.9191 7.9191 8.0659 8.0659 8.0975 8.0975 9.1216 9.1216 9.1864 9.1864 9.2555 9.2555 9.3091 9.3091 9.6696 9.6696 9.7735 9.7735 10.1258 10.1258 10.1398 10.1398 13.3513 13.3513 13.5671 13.5671 13.9999 13.9999 14.0505 14.0505 k = 0.0000 0.2447-0.0000 ( 3256 PWs) bands (ev): -3.1337 -3.1337 -2.7271 -2.7271 -0.4152 -0.4152 -0.4137 -0.4137 3.9804 3.9804 4.0529 4.0529 7.2902 7.2902 7.9498 7.9498 8.0762 8.0762 8.1589 8.1589 9.1003 9.1003 9.1960 9.1960 9.2508 9.2508 9.3349 9.3349 9.6394 9.6394 9.7959 9.7959 10.1229 10.1229 10.1438 10.1438 13.2476 13.2476 13.5481 13.5481 14.0428 14.0428 14.1387 14.1387 k = 0.0000 0.2356-0.0000 ( 3260 PWs) bands (ev): -3.1964 -3.1964 -2.6558 -2.6558 -0.4165 -0.4165 -0.4154 -0.4154 3.9875 3.9875 4.0846 4.0846 7.1355 7.1355 7.9489 7.9489 8.0826 8.0826 8.2407 8.2407 9.0779 9.0779 9.2036 9.2036 9.2480 9.2480 9.3656 9.3656 9.6073 9.6073 9.8172 9.8172 10.1203 10.1203 10.1479 10.1479 13.1415 13.1415 13.5202 13.5202 14.0878 14.0878 14.2067 14.2067 k = 0.0000 0.2266-0.0000 ( 3252 PWs) bands (ev): -3.2574 -3.2574 -2.5840 -2.5840 -0.4181 -0.4181 -0.4173 -0.4173 3.9999 3.9999 4.1220 4.1220 6.9774 6.9774 7.9375 7.9375 8.0855 8.0855 8.3200 8.3200 9.0546 9.0546 9.2098 9.2098 9.2466 9.2466 9.4006 9.4006 9.5735 9.5735 9.8374 9.8374 10.1180 10.1180 10.1523 10.1523 13.0363 13.0363 13.4923 13.4923 14.1052 14.1052 14.1563 14.1563 k = 0.0000 0.2175-0.0000 ( 3254 PWs) bands (ev): -3.3165 -3.3165 -2.5119 -2.5119 -0.4210 -0.4210 -0.4183 -0.4183 4.0174 4.0174 4.1648 4.1648 6.8171 6.8171 7.9219 7.9219 8.0849 8.0849 8.3888 8.3888 9.0306 9.0306 9.2149 9.2149 9.2461 9.2461 9.4381 9.4381 9.5385 9.5385 9.8567 9.8567 10.1160 10.1160 10.1567 10.1567 12.9339 12.9339 13.4696 13.4696 14.0317 14.0317 14.1907 14.1907 k = 0.0000 0.2084-0.0000 ( 3254 PWs) bands (ev): -3.3737 -3.3737 -2.4399 -2.4399 -0.4246 -0.4246 -0.4185 -0.4185 4.0397 4.0397 4.2132 4.2132 6.6554 6.6554 7.9044 7.9044 8.0804 8.0804 8.4447 8.4447 9.0061 9.0061 9.2192 9.2192 9.2465 9.2465 9.4718 9.4718 9.5078 9.5078 9.8752 9.8752 10.1142 10.1142 10.1612 10.1612 12.8357 12.8357 13.4556 13.4556 13.9490 13.9490 14.2336 14.2336 k = 0.0000 0.1994-0.0000 ( 3242 PWs) bands (ev): -3.4288 -3.4288 -2.3683 -2.3683 -0.4289 -0.4289 -0.4180 -0.4180 4.0668 4.0668 4.2669 4.2669 6.4932 6.4932 7.8860 7.8860 8.0715 8.0715 8.4866 8.4866 8.9814 8.9814 9.2230 9.2230 9.2477 9.2477 9.4553 9.4553 9.5268 9.5268 9.8931 9.8931 10.1129 10.1129 10.1658 10.1658 12.7425 12.7425 13.4525 13.4525 13.8675 13.8675 14.2746 14.2746 k = 0.0000 0.1903-0.0000 ( 3242 PWs) bands (ev): -3.4819 -3.4819 -2.2973 -2.2973 -0.4338 -0.4338 -0.4163 -0.4163 4.0984 4.0984 4.3259 4.3259 6.3313 6.3313 7.8668 7.8668 8.0578 8.0578 8.5144 8.5144 8.9566 8.9566 9.2258 9.2258 9.2494 9.2494 9.4179 9.4179 9.5651 9.5651 9.9104 9.9104 10.1118 10.1118 10.1704 10.1704 12.6548 12.6548 13.4619 13.4619 13.7881 13.7881 14.3129 14.3129 k = 0.0000 0.1813-0.0000 ( 3234 PWs) bands (ev): -3.5329 -3.5329 -2.2274 -2.2274 -0.4391 -0.4391 -0.4132 -0.4132 4.1342 4.1342 4.3901 4.3901 6.1702 6.1702 7.8474 7.8474 8.0388 8.0388 8.5279 8.5279 8.9324 8.9324 9.2277 9.2277 9.2516 9.2516 9.3800 9.3800 9.6025 9.6025 9.9273 9.9273 10.1112 10.1112 10.1750 10.1750 12.5731 12.5731 13.4844 13.4844 13.7115 13.7115 14.3481 14.3481 k = 0.0000 0.1722-0.0000 ( 3234 PWs) bands (ev): -3.5816 -3.5816 -2.1589 -2.1589 -0.4449 -0.4449 -0.4085 -0.4085 4.1741 4.1741 4.4592 4.4592 6.0106 6.0106 7.8278 7.8278 8.0141 8.0141 8.5269 8.5269 8.9090 8.9090 9.2278 9.2278 9.2542 9.2542 9.3444 9.3444 9.6366 9.6366 9.9436 9.9436 10.1108 10.1108 10.1796 10.1796 12.4976 12.4976 13.5187 13.5187 13.6397 13.6397 14.3803 14.3803 k = 0.0000 0.1631-0.0000 ( 3236 PWs) bands (ev): -3.6281 -3.6281 -2.0924 -2.0924 -0.4510 -0.4510 -0.4018 -0.4018 4.2176 4.2176 4.5333 4.5333 5.8531 5.8531 7.8082 7.8082 7.9835 7.9835 8.5115 8.5115 8.8868 8.8868 9.2249 9.2249 9.2572 9.2572 9.3139 9.3139 9.6662 9.6662 9.9596 9.9596 10.1109 10.1109 10.1841 10.1841 12.4284 12.4284 13.5389 13.5389 13.5986 13.5986 14.4095 14.4095 k = 0.0000 0.1541-0.0000 ( 3242 PWs) bands (ev): -3.6723 -3.6723 -2.0282 -2.0282 -0.4574 -0.4574 -0.3929 -0.3929 4.2646 4.2646 4.6120 4.6120 5.6983 5.6983 7.7885 7.7885 7.9468 7.9468 8.4813 8.4813 8.8662 8.8662 9.2167 9.2167 9.2604 9.2604 9.2919 9.2919 9.6913 9.6913 9.9752 9.9752 10.1112 10.1112 10.1886 10.1886 12.3655 12.3655 13.4850 13.4850 13.6475 13.6475 14.4360 14.4360 k = 0.0000 0.1450-0.0000 ( 3234 PWs) bands (ev): -3.7142 -3.7142 -1.9667 -1.9667 -0.4640 -0.4640 -0.3815 -0.3815 4.3146 4.3146 4.6952 4.6952 5.5468 5.5468 7.7691 7.7691 7.9041 7.9041 8.4368 8.4368 8.8474 8.8474 9.2030 9.2030 9.2639 9.2639 9.2800 9.2800 9.7118 9.7118 9.9904 9.9904 10.1119 10.1119 10.1929 10.1929 12.3087 12.3087 13.4207 13.4207 13.7219 13.7219 14.4600 14.4600 k = 0.0000 0.1359-0.0000 ( 3238 PWs) bands (ev): -3.7536 -3.7536 -1.9084 -1.9084 -0.4707 -0.4707 -0.3674 -0.3674 4.3673 4.3673 4.7826 4.7826 5.3992 5.3992 7.7494 7.7494 7.8557 7.8557 8.3788 8.3788 8.8307 8.8307 9.1866 9.1866 9.2673 9.2673 9.2753 9.2753 9.7280 9.7280 10.0052 10.0052 10.1129 10.1129 10.1971 10.1971 12.2579 12.2579 13.3579 13.3579 13.8081 13.8081 14.4819 14.4819 k = 0.0000 0.1269-0.0000 ( 3242 PWs) bands (ev): -3.7907 -3.7907 -1.8537 -1.8537 -0.4774 -0.4774 -0.3505 -0.3505 4.4222 4.4222 4.8740 4.8740 5.2564 5.2564 7.7295 7.7295 7.8021 7.8021 8.3088 8.3088 8.8160 8.8160 9.1711 9.1711 9.2708 9.2708 9.2742 9.2742 9.7402 9.7402 10.0195 10.0195 10.1143 10.1143 10.2012 10.2012 12.2126 12.2126 13.2979 13.2979 13.9027 13.9027 14.5025 14.5025 k = 0.0000 0.1178-0.0000 ( 3240 PWs) bands (ev): -3.8254 -3.8254 -1.8030 -1.8030 -0.4841 -0.4841 -0.3309 -0.3309 4.4789 4.4789 4.9679 4.9679 5.1200 5.1200 7.7089 7.7089 7.7442 7.7442 8.2287 8.2287 8.8033 8.8033 9.1580 9.1580 9.2738 9.2738 9.2754 9.2754 9.7493 9.7493 10.0333 10.0333 10.1159 10.1159 10.2051 10.2051 12.1727 12.1727 13.2411 13.2411 14.0031 14.0031 14.5224 14.5224 k = 0.0000 0.1088-0.0000 ( 3238 PWs) bands (ev): -3.8575 -3.8575 -1.7564 -1.7564 -0.4906 -0.4906 -0.3086 -0.3086 4.5368 4.5368 4.9796 4.9796 5.0755 5.0755 7.6826 7.6826 7.6868 7.6868 8.1411 8.1411 8.7925 8.7925 9.1473 9.1473 9.2758 9.2758 9.2783 9.2783 9.7556 9.7556 10.0464 10.0464 10.1178 10.1178 10.2090 10.2090 12.1377 12.1377 13.1877 13.1877 14.1058 14.1058 14.5433 14.5433 k = 0.0000 0.0997-0.0000 ( 3235 PWs) bands (ev): -3.8872 -3.8872 -1.7142 -1.7142 -0.4969 -0.4969 -0.2839 -0.2839 4.5948 4.5948 4.8578 4.8578 5.1749 5.1749 7.6185 7.6185 7.6614 7.6614 8.0494 8.0494 8.7833 8.7833 9.1389 9.1389 9.2777 9.2777 9.2817 9.2817 9.7597 9.7597 10.0588 10.0588 10.1200 10.1200 10.2126 10.2126 12.1073 12.1073 13.1380 13.1380 14.2062 14.2062 14.5675 14.5675 k = 0.0000 0.0906-0.0000 ( 3235 PWs) bands (ev): -3.9144 -3.9144 -1.6765 -1.6765 -0.5028 -0.5028 -0.2572 -0.2572 4.6491 4.6491 4.7437 4.7437 5.2806 5.2806 7.5529 7.5529 7.6296 7.6296 7.9584 7.9584 8.7755 8.7755 9.1324 9.1324 9.2797 9.2797 9.2849 9.2849 9.7621 9.7621 10.0703 10.0703 10.1225 10.1225 10.2159 10.2159 12.0810 12.0810 13.0920 13.0920 14.2979 14.2979 14.5994 14.5994 k = 0.0000 0.0816-0.0000 ( 3243 PWs) bands (ev): -3.9390 -3.9390 -1.6433 -1.6433 -0.5085 -0.5085 -0.2292 -0.2292 4.6188 4.6188 4.7211 4.7211 5.3895 5.3895 7.4871 7.4871 7.5857 7.5857 7.8752 7.8752 8.7691 8.7691 9.1273 9.1273 9.2816 9.2816 9.2879 9.2879 9.7633 9.7633 10.0806 10.0806 10.1252 10.1252 10.2191 10.2191 12.0585 12.0585 13.0499 13.0499 14.3725 14.3725 14.6452 14.6452 k = 0.0000 0.0725-0.0000 ( 3239 PWs) bands (ev): -3.9611 -3.9611 -1.6144 -1.6144 -0.5137 -0.5137 -0.2006 -0.2006 4.5201 4.5201 4.7740 4.7740 5.5011 5.5011 7.4224 7.4224 7.5225 7.5225 7.8084 7.8084 8.7637 8.7637 9.1235 9.1235 9.2836 9.2836 9.2907 9.2907 9.7636 9.7636 10.0899 10.0899 10.1281 10.1281 10.2221 10.2221 12.0396 12.0396 13.0118 13.0118 14.4245 14.4245 14.7080 14.7080 k = 0.0000 0.0634-0.0000 ( 3239 PWs) bands (ev): -3.9806 -3.9806 -1.5897 -1.5897 -0.5184 -0.5184 -0.1722 -0.1722 4.4276 4.4276 4.8275 4.8275 5.6147 5.6147 7.3599 7.3599 7.4377 7.4377 7.7617 7.7617 8.7593 8.7593 9.1205 9.1205 9.2854 9.2854 9.2933 9.2933 9.7632 9.7632 10.0977 10.0977 10.1312 10.1312 10.2248 10.2248 12.0237 12.0237 12.9779 12.9779 14.4568 14.4568 14.7823 14.7823 k = 0.0000 0.0544-0.0000 ( 3239 PWs) bands (ev): -3.9976 -3.9976 -1.5689 -1.5689 -0.5226 -0.5226 -0.1449 -0.1449 4.3447 4.3447 4.8780 4.8780 5.7299 5.7299 7.3010 7.3010 7.3370 7.3370 7.7310 7.7310 8.7558 8.7558 9.1183 9.1183 9.2870 9.2870 9.2956 9.2956 9.7625 9.7625 10.1043 10.1043 10.1345 10.1345 10.2272 10.2272 12.0106 12.0106 12.9483 12.9483 14.4765 14.4765 14.8581 14.8581 k = 0.0000 0.0453-0.0000 ( 3235 PWs) bands (ev): -4.0119 -4.0119 -1.5519 -1.5519 -0.5262 -0.5262 -0.1197 -0.1197 4.2728 4.2728 4.9240 4.9240 5.8455 5.8455 7.2245 7.2245 7.2501 7.2501 7.7107 7.7107 8.7529 8.7529 9.1166 9.1166 9.2885 9.2885 9.2976 9.2976 9.7617 9.7617 10.1095 10.1095 10.1378 10.1378 10.2294 10.2294 12.0000 12.0000 12.9230 12.9230 14.4888 14.4888 14.9267 14.9267 k = 0.0000 0.0363-0.0000 ( 3225 PWs) bands (ev): -4.0237 -4.0237 -1.5384 -1.5384 -0.5293 -0.5293 -0.0975 -0.0975 4.2126 4.2126 4.9640 4.9640 5.9602 5.9602 7.1120 7.1120 7.2029 7.2029 7.6967 7.6967 8.7507 8.7507 9.1154 9.1154 9.2898 9.2898 9.2993 9.2993 9.7609 9.7609 10.1135 10.1135 10.1410 10.1410 10.2312 10.2312 11.9917 11.9917 12.9022 12.9022 14.4967 14.4967 14.9816 14.9816 k = 0.0000 0.0272-0.0000 ( 3229 PWs) bands (ev): -4.0328 -4.0328 -1.5281 -1.5281 -0.5316 -0.5316 -0.0792 -0.0792 4.1650 4.1650 4.9969 4.9969 6.0710 6.0710 7.0006 7.0006 7.1649 7.1649 7.6870 7.6870 8.7490 8.7490 9.1144 9.1144 9.2908 9.2908 9.3005 9.3005 9.7600 9.7600 10.1164 10.1164 10.1437 10.1437 10.2327 10.2327 11.9854 11.9854 12.8860 12.8860 14.5018 14.5018 15.0199 15.0199 k = 0.0000 0.0181-0.0000 ( 3229 PWs) bands (ev): -4.0394 -4.0394 -1.5210 -1.5210 -0.5334 -0.5334 -0.0656 -0.0656 4.1304 4.1304 5.0214 5.0214 6.1721 6.1721 6.8983 6.8983 7.1367 7.1367 7.6806 7.6806 8.7479 8.7479 9.1138 9.1138 9.2915 9.2915 9.3015 9.3015 9.7594 9.7594 10.1183 10.1183 10.1457 10.1457 10.2337 10.2337 11.9810 11.9810 12.8743 12.8743 14.5050 14.5050 15.0426 15.0426 k = 0.0000 0.0091-0.0000 ( 3239 PWs) bands (ev): -4.0433 -4.0433 -1.5167 -1.5167 -0.5344 -0.5344 -0.0572 -0.0572 4.1095 4.1095 5.0365 5.0365 6.2507 6.2507 6.8188 6.8188 7.1193 7.1193 7.6770 7.6770 8.7471 8.7471 9.1135 9.1135 9.2919 9.2919 9.3019 9.3019 9.7590 9.7590 10.1194 10.1194 10.1470 10.1470 10.2342 10.2342 11.9784 11.9784 12.8673 12.8673 14.5067 14.5067 15.0538 15.0538 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0446 -4.0446 -1.5153 -1.5153 -0.5347 -0.5347 -0.0544 -0.0544 4.1025 4.1025 5.0416 5.0416 6.2825 6.2825 6.7866 6.7866 7.1134 7.1134 7.6758 7.6758 8.7469 8.7469 9.1133 9.1133 9.2920 9.2920 9.3021 9.3021 9.7589 9.7589 10.1198 10.1198 10.1475 10.1475 10.2345 10.2345 11.9776 11.9776 12.8650 12.8650 14.5073 14.5073 15.0571 15.0571 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0446 -4.0446 -1.5153 -1.5153 -0.5347 -0.5347 -0.0544 -0.0544 4.1025 4.1025 5.0416 5.0416 6.2825 6.2825 6.7866 6.7866 7.1134 7.1134 7.6758 7.6758 8.7469 8.7469 9.1133 9.1133 9.2920 9.2920 9.3021 9.3021 9.7589 9.7589 10.1198 10.1198 10.1475 10.1475 10.2345 10.2345 11.9776 11.9776 12.8650 12.8650 14.5073 14.5073 15.0571 15.0571 k = 0.0000 0.0000 0.0089 ( 3241 PWs) bands (ev): -4.0434 -4.0434 -1.5217 -1.5217 -0.5300 -0.5300 -0.0539 -0.0539 4.1026 4.1026 5.0430 5.0430 6.2868 6.2868 6.7556 6.7556 7.1334 7.1334 7.6868 7.6868 8.7474 8.7474 9.1130 9.1130 9.2920 9.2920 9.3022 9.3022 9.7585 9.7585 10.1196 10.1196 10.1472 10.1472 10.2341 10.2341 11.9781 11.9781 12.8668 12.8668 14.4904 14.4904 15.0433 15.0433 k = 0.0000 0.0000 0.0178 ( 3243 PWs) bands (ev): -4.0396 -4.0396 -1.5406 -1.5406 -0.5163 -0.5163 -0.0527 -0.0527 4.1030 4.1030 5.0475 5.0475 6.2996 6.2996 6.6805 6.6805 7.1752 7.1752 7.7198 7.7198 8.7490 8.7490 9.1122 9.1122 9.2920 9.2920 9.3023 9.3023 9.7576 9.7576 10.1189 10.1189 10.1466 10.1466 10.2330 10.2330 11.9798 11.9798 12.8724 12.8724 14.4400 14.4400 15.0082 15.0082 k = 0.0000 0.0000 0.0268 ( 3245 PWs) bands (ev): -4.0334 -4.0334 -1.5708 -1.5708 -0.4946 -0.4946 -0.0507 -0.0507 4.1033 4.1033 5.0555 5.0555 6.3205 6.3205 6.5846 6.5846 7.2164 7.2164 7.7743 7.7743 8.7516 8.7516 9.1107 9.1107 9.2920 9.2920 9.3025 9.3025 9.7562 9.7562 10.1179 10.1179 10.1456 10.1456 10.2310 10.2310 11.9827 11.9827 12.8817 12.8817 14.3578 14.3578 14.9632 14.9632 k = 0.0000 0.0000 0.0357 ( 3249 PWs) bands (ev): -4.0246 -4.0246 -1.6107 -1.6107 -0.4665 -0.4665 -0.0478 -0.0478 4.1035 4.1035 5.0675 5.0675 6.3483 6.3483 6.4797 6.4797 7.2481 7.2481 7.8475 7.8475 8.7552 8.7552 9.1085 9.1085 9.2920 9.2920 9.3028 9.3028 9.7543 9.7543 10.1164 10.1164 10.1441 10.1441 10.2283 10.2283 11.9867 11.9867 12.8946 12.8946 14.2488 14.2488 14.9156 14.9156 k = 0.0000 0.0000 0.0446 ( 3249 PWs) bands (ev): -4.0134 -4.0134 -1.6588 -1.6588 -0.4336 -0.4336 -0.0442 -0.0442 4.1034 4.1034 5.0842 5.0842 6.3564 6.3564 6.3970 6.3970 7.2695 7.2695 7.9346 7.9346 8.7599 8.7599 9.1054 9.1054 9.2920 9.2920 9.3032 9.3032 9.7522 9.7522 10.1145 10.1145 10.1423 10.1423 10.2248 10.2248 11.9920 11.9920 12.9111 12.9111 14.1205 14.1205 14.8669 14.8669 k = 0.0000 0.0000 0.0535 ( 3249 PWs) bands (ev): -3.9997 -3.9997 -1.7135 -1.7135 -0.3975 -0.3975 -0.0398 -0.0398 4.1027 4.1027 5.1065 5.1065 6.2520 6.2520 6.4311 6.4311 7.2825 7.2825 8.0305 8.0305 8.7655 8.7655 9.1012 9.1012 9.2920 9.2920 9.3036 9.3036 9.7501 9.7501 10.1123 10.1123 10.1402 10.1402 10.2208 10.2208 11.9988 11.9988 12.9311 12.9311 13.9803 13.9803 14.8156 14.8156 k = 0.0000 0.0000 0.0624 ( 3253 PWs) bands (ev): -3.9835 -3.9835 -1.7733 -1.7733 -0.3594 -0.3594 -0.0347 -0.0347 4.1012 4.1012 5.1349 5.1349 6.1394 6.1394 6.4785 6.4785 7.2893 7.2893 8.1310 8.1310 8.7721 8.7721 9.0955 9.0955 9.2919 9.2919 9.3041 9.3041 9.7482 9.7482 10.1097 10.1097 10.1378 10.1378 10.2162 10.2162 12.0069 12.0069 12.9545 12.9545 13.8346 13.8346 14.7592 14.7592 k = 0.0000 0.0000 0.0714 ( 3253 PWs) bands (ev): -3.9649 -3.9649 -1.8373 -1.8373 -0.3203 -0.3203 -0.0290 -0.0290 4.0991 4.0991 5.1699 5.1699 6.0268 6.0268 6.5313 6.5313 7.2914 7.2914 8.2326 8.2326 8.7798 8.7798 9.0882 9.0882 9.2918 9.2918 9.3047 9.3047 9.7470 9.7470 10.1068 10.1068 10.1352 10.1352 10.2110 10.2110 12.0167 12.0167 12.9812 12.9812 13.6882 13.6882 14.6953 14.6953 k = 0.0000 0.0000 0.0803 ( 3249 PWs) bands (ev): -3.9438 -3.9438 -1.9044 -1.9044 -0.2812 -0.2812 -0.0226 -0.0226 4.0965 4.0965 5.2118 5.2118 5.9152 5.9152 6.5885 6.5885 7.2899 7.2899 8.3326 8.3326 8.7884 8.7884 9.0786 9.0786 9.2917 9.2917 9.3054 9.3054 9.7471 9.7471 10.1037 10.1037 10.1325 10.1325 10.2055 10.2055 12.0283 12.0283 13.0108 13.0108 13.5452 13.5452 14.6224 14.6224 k = 0.0000 0.0000 0.0892 ( 3251 PWs) bands (ev): -3.9203 -3.9203 -1.9739 -1.9739 -0.2427 -0.2427 -0.0157 -0.0157 4.0935 4.0935 5.2604 5.2604 5.8054 5.8054 6.6494 6.6494 7.2852 7.2852 8.4284 8.4284 8.7978 8.7978 9.0661 9.0661 9.2917 9.2917 9.3061 9.3061 9.7492 9.7492 10.1004 10.1004 10.1297 10.1297 10.1996 10.1996 12.0416 12.0416 13.0431 13.0431 13.4087 13.4087 14.5400 14.5400 k = 0.0000 0.0000 0.0981 ( 3251 PWs) bands (ev): -3.8944 -3.8944 -2.0453 -2.0453 -0.2053 -0.2053 -0.0083 -0.0083 4.0906 4.0906 5.3152 5.3152 5.6983 5.6983 6.7132 6.7132 7.2780 7.2780 8.5180 8.5180 8.8081 8.8081 9.0504 9.0504 9.2919 9.2919 9.3070 9.3070 9.7541 9.7541 10.0969 10.0969 10.1268 10.1268 10.1935 10.1935 12.0571 12.0571 13.0768 13.0768 13.2826 13.2826 14.4486 14.4486 k = 0.0000 0.0000 0.1070 ( 3248 PWs) bands (ev): -3.8661 -3.8661 -2.1179 -2.1179 -0.1694 -0.1694 -0.0005 -0.0005 4.0882 4.0882 5.3739 5.3739 5.5961 5.5961 6.7794 6.7794 7.2682 7.2682 8.5991 8.5991 8.8193 8.8193 9.0309 9.0309 9.2924 9.2924 9.3078 9.3078 9.7625 9.7625 10.0933 10.0933 10.1239 10.1239 10.1873 10.1873 12.0750 12.0750 13.1012 13.1012 13.1794 13.1794 14.3497 14.3497 k = 0.0000 0.0000 0.1160 ( 3250 PWs) bands (ev): -3.8353 -3.8353 -2.1914 -2.1914 -0.1354 -0.1354 0.0077 0.0077 4.0867 4.0867 5.4190 5.4190 5.5165 5.5165 6.8475 6.8475 7.2559 7.2559 8.6691 8.6691 8.8312 8.8312 9.0078 9.0078 9.2932 9.2932 9.3087 9.3087 9.7751 9.7751 10.0897 10.0897 10.1211 10.1211 10.1810 10.1810 12.0952 12.0952 13.0436 13.0436 13.1738 13.1738 14.2448 14.2448 k = 0.0000 0.0000 0.1249 ( 3242 PWs) bands (ev): -3.8023 -3.8023 -2.2654 -2.2654 -0.1035 -0.1035 0.0161 0.0161 4.0867 4.0867 5.3667 5.3667 5.5427 5.5427 6.9172 6.9172 7.2412 7.2412 8.7246 8.7246 8.8438 8.8438 8.9828 8.9828 9.2945 9.2945 9.3096 9.3096 9.7923 9.7923 10.0863 10.0863 10.1185 10.1185 10.1749 10.1749 12.1182 12.1182 12.9579 12.9579 13.2131 13.2131 14.1357 14.1357 k = 0.0000 0.0000 0.1338 ( 3240 PWs) bands (ev): -3.7669 -3.7669 -2.3396 -2.3396 -0.0738 -0.0738 0.0246 0.0246 4.0886 4.0886 5.2751 5.2751 5.6164 5.6164 6.9878 6.9878 7.2240 7.2240 8.7595 8.7595 8.8570 8.8570 8.9608 8.9608 9.2962 9.2962 9.3105 9.3105 9.8139 9.8139 10.0829 10.0829 10.1160 10.1160 10.1688 10.1688 12.1441 12.1441 12.8845 12.8845 13.2585 13.2585 14.0238 14.0238 k = 0.0000 0.0000 0.1427 ( 3240 PWs) bands (ev): -3.7291 -3.7291 -2.4138 -2.4138 -0.0466 -0.0466 0.0332 0.0332 4.0929 4.0929 5.1819 5.1819 5.6993 5.6993 7.0589 7.0589 7.2044 7.2044 8.7645 8.7645 8.8706 8.8706 8.9509 8.9509 9.2982 9.2982 9.3114 9.3114 9.8391 9.8391 10.0796 10.0796 10.1137 10.1137 10.1629 10.1629 12.1733 12.1733 12.8273 12.8273 13.3070 13.3070 13.9105 13.9105 k = 0.0000 0.0000 0.1516 ( 3238 PWs) bands (ev): -3.6892 -3.6892 -2.4876 -2.4876 -0.0218 -0.0218 0.0417 0.0417 4.1001 4.1001 5.0909 5.0909 5.7873 5.7873 7.1271 7.1271 7.1854 7.1854 8.7369 8.7369 8.8843 8.8843 8.9567 8.9567 9.3006 9.3006 9.3123 9.3123 9.8668 9.8668 10.0765 10.0765 10.1117 10.1117 10.1571 10.1571 12.2059 12.2059 12.7876 12.7876 13.3579 13.3579 13.7969 13.7969 k = 0.0000 0.0000 0.1606 ( 3230 PWs) bands (ev): -3.6469 -3.6469 -2.5609 -2.5609 0.0005 0.0005 0.0500 0.0500 4.1103 4.1103 5.0028 5.0028 5.8787 5.8787 7.1448 7.1448 7.2143 7.2143 8.6861 8.6861 8.8981 8.8981 8.9701 8.9701 9.3030 9.3030 9.3132 9.3132 9.8954 9.8954 10.0736 10.0736 10.1102 10.1102 10.1518 10.1518 12.2422 12.2422 12.7657 12.7657 13.4106 13.4106 13.6843 13.6843 k = 0.0000 0.0000 0.1695 ( 3224 PWs) bands (ev): -3.6025 -3.6025 -2.6335 -2.6335 0.0201 0.0201 0.0580 0.0580 4.1241 4.1241 4.9181 4.9181 5.9725 5.9725 7.1174 7.1174 7.2852 7.2852 8.6211 8.6211 8.9119 8.9119 8.9840 8.9840 9.3055 9.3055 9.3140 9.3140 9.9236 9.9236 10.0709 10.0709 10.1091 10.1091 10.1467 10.1467 12.2825 12.2825 12.7617 12.7617 13.4635 13.4635 13.5748 13.5748 k = 0.0000 0.0000 0.1784 ( 3230 PWs) bands (ev): -3.5558 -3.5558 -2.7052 -2.7052 0.0373 0.0373 0.0655 0.0655 4.1415 4.1415 4.8370 4.8370 6.0678 6.0678 7.0831 7.0831 7.3597 7.3597 8.5466 8.5466 8.9255 8.9255 8.9953 8.9953 9.3077 9.3077 9.3147 9.3147 9.9498 9.9498 10.0683 10.0683 10.1084 10.1084 10.1420 10.1420 12.3269 12.3269 12.7748 12.7748 13.4561 13.4561 13.5296 13.5296 k = 0.0000 0.0000 0.1873 ( 3234 PWs) bands (ev): -3.5071 -3.5071 -2.7760 -2.7760 0.0520 0.0520 0.0724 0.0724 4.1630 4.1630 4.7596 4.7596 6.1635 6.1635 7.0438 7.0438 7.4358 7.4358 8.4655 8.4655 8.9387 8.9387 9.0036 9.0036 9.3098 9.3098 9.3153 9.3153 9.9732 9.9732 10.0659 10.0659 10.1084 10.1084 10.1378 10.1378 12.3757 12.3757 12.8038 12.8038 13.3542 13.3542 13.5834 13.5834 k = 0.0000 0.0000 0.1962 ( 3234 PWs) bands (ev): -3.4562 -3.4562 -2.8456 -2.8456 0.0642 0.0642 0.0786 0.0786 4.1886 4.1886 4.6863 4.6863 6.2587 6.2587 6.9994 6.9994 7.5133 7.5133 8.3797 8.3797 8.9514 8.9514 9.0090 9.0090 9.3116 9.3116 9.3159 9.3159 9.9932 9.9932 10.0635 10.0635 10.1089 10.1089 10.1340 10.1340 12.4289 12.4289 12.8462 12.8462 13.2541 13.2541 13.6402 13.6402 k = 0.0000 0.0000 0.2051 ( 3228 PWs) bands (ev): -3.4033 -3.4033 -2.9139 -2.9139 0.0741 0.0741 0.0838 0.0838 4.2184 4.2184 4.6169 4.6169 6.3523 6.3523 6.9496 6.9496 7.5925 7.5925 8.2908 8.2908 8.9633 8.9633 9.0116 9.0116 9.3131 9.3131 9.3164 9.3164 10.0098 10.0098 10.0610 10.0610 10.1101 10.1101 10.1305 10.1305 12.4868 12.4868 12.8971 12.8971 13.1625 13.1625 13.6725 13.6725 k = 0.0000 0.0000 0.2141 ( 3224 PWs) bands (ev): -3.3484 -3.3484 -2.9808 -2.9808 0.0817 0.0817 0.0880 0.0880 4.2527 4.2527 4.5518 4.5518 6.4434 6.4434 6.8942 6.8942 7.6736 7.6736 8.2002 8.2002 8.9743 8.9743 9.0118 9.0118 9.3143 9.3143 9.3167 9.3167 10.0231 10.0231 10.0584 10.0584 10.1118 10.1118 10.1273 10.1273 12.5495 12.5495 12.9370 12.9370 13.0977 13.0977 13.5856 13.5856 k = 0.0000 0.0000 0.2230 ( 3228 PWs) bands (ev): -3.2916 -3.2916 -3.0463 -3.0463 0.0872 0.0872 0.0909 0.0909 4.2914 4.2914 4.4909 4.4909 6.5311 6.5311 6.8329 6.8329 7.7567 7.7567 8.1091 8.1091 8.9843 8.9843 9.0098 9.0098 9.3153 9.3153 9.3169 9.3169 10.0333 10.0333 10.0554 10.0554 10.1139 10.1139 10.1244 10.1244 12.6168 12.6168 12.9119 12.9119 13.1124 13.1124 13.4804 13.4804 k = 0.0000 0.0000 0.2319 ( 3222 PWs) bands (ev): -3.2329 -3.2329 -3.1102 -3.1102 0.0908 0.0908 0.0925 0.0925 4.3346 4.3346 4.4343 4.4343 6.6144 6.6144 6.7657 6.7657 7.8420 7.8420 8.0186 8.0186 8.9930 8.9930 9.0059 9.0059 9.3161 9.3161 9.3168 9.3168 10.0412 10.0412 10.0517 10.0517 10.1164 10.1164 10.1216 10.1216 12.6886 12.6886 12.8413 12.8413 13.1857 13.1857 13.3765 13.3765 k = 0.0000 0.0000 0.2408 ( 3220 PWs) bands (ev): -3.1724 -3.1724 -3.1724 -3.1724 0.0925 0.0925 0.0925 0.0925 4.3822 4.3822 4.3822 4.3822 6.6928 6.6928 6.6928 6.6928 7.9294 7.9294 7.9294 7.9294 9.0002 9.0002 9.0003 9.0003 9.3165 9.3165 9.3166 9.3166 10.0471 10.0471 10.0472 10.0472 10.1189 10.1189 10.1190 10.1190 12.7640 12.7640 12.7641 12.7641 13.2770 13.2770 13.2770 13.2770 k = 0.0000 0.0000 0.2408 ( 3220 PWs) bands (ev): -3.1724 -3.1724 -3.1724 -3.1724 0.0925 0.0925 0.0925 0.0925 4.3822 4.3822 4.3822 4.3822 6.6928 6.6928 6.6928 6.6928 7.9294 7.9294 7.9294 7.9294 9.0002 9.0002 9.0003 9.0003 9.3165 9.3165 9.3166 9.3166 10.0471 10.0471 10.0472 10.0472 10.1189 10.1189 10.1190 10.1190 12.7640 12.7640 12.7641 12.7641 13.2770 13.2770 13.2770 13.2770 k = 0.0091-0.0000 0.2408 ( 3222 PWs) bands (ev): -3.1711 -3.1711 -3.1711 -3.1711 0.0935 0.0935 0.0936 0.0936 4.3834 4.3834 4.3836 4.3836 6.6938 6.6938 6.6940 6.6940 7.9292 7.9292 7.9294 7.9294 8.9993 8.9993 9.0009 9.0009 9.3161 9.3161 9.3163 9.3163 10.0272 10.0272 10.0591 10.0591 10.1062 10.1062 10.1371 10.1371 12.7631 12.7631 12.7641 12.7641 13.2723 13.2723 13.2824 13.2824 k = 0.0182-0.0000 0.2408 ( 3226 PWs) bands (ev): -3.1671 -3.1671 -3.1670 -3.1670 0.0967 0.0967 0.0968 0.0968 4.3871 4.3871 4.3876 4.3876 6.6970 6.6970 6.6975 6.6975 7.9286 7.9286 7.9291 7.9291 8.9982 8.9982 9.0013 9.0013 9.3150 9.3150 9.3152 9.3152 10.0041 10.0041 10.0523 10.0523 10.1098 10.1098 10.1558 10.1558 12.7611 12.7611 12.7631 12.7631 13.2679 13.2679 13.2889 13.2889 k = 0.0273-0.0000 0.2408 ( 3224 PWs) bands (ev): -3.1604 -3.1604 -3.1603 -3.1603 0.1021 0.1021 0.1022 0.1022 4.3934 4.3934 4.3941 4.3941 6.7025 6.7025 6.7031 6.7031 7.9278 7.9278 7.9286 7.9286 8.9967 8.9967 9.0015 9.0015 9.3132 9.3132 9.3133 9.3133 9.9791 9.9791 10.0320 10.0320 10.1243 10.1243 10.1740 10.1740 12.7576 12.7576 12.7608 12.7608 13.2630 13.2630 13.2963 13.2963 k = 0.0364-0.0000 0.2408 ( 3226 PWs) bands (ev): -3.1510 -3.1510 -3.1509 -3.1509 0.1095 0.1095 0.1097 0.1097 4.4022 4.4022 4.4031 4.4031 6.7101 6.7101 6.7109 6.7109 7.9267 7.9267 7.9277 7.9277 8.9947 8.9947 9.0014 9.0014 9.3104 9.3104 9.3108 9.3108 9.9523 9.9523 10.0069 10.0069 10.1409 10.1409 10.1914 10.1914 12.7519 12.7519 12.7567 12.7567 13.2565 13.2565 13.3045 13.3045 k = 0.0455-0.0000 0.2408 ( 3226 PWs) bands (ev): -3.1389 -3.1389 -3.1388 -3.1388 0.1191 0.1191 0.1193 0.1193 4.4136 4.4136 4.4147 4.4147 6.7199 6.7199 6.7209 6.7209 7.9253 7.9253 7.9266 7.9266 8.9920 8.9920 9.0009 9.0009 9.3065 9.3065 9.3078 9.3078 9.9241 9.9241 9.9792 9.9792 10.1575 10.1575 10.2078 10.2078 12.7426 12.7426 12.7498 12.7498 13.2466 13.2466 13.3126 13.3126 k = 0.0545-0.0000 0.2408 ( 3238 PWs) bands (ev): -3.1241 -3.1241 -3.1240 -3.1240 0.1308 0.1308 0.1310 0.1310 4.4275 4.4275 4.4288 4.4288 6.7319 6.7319 6.7330 6.7330 7.9235 7.9235 7.9252 7.9252 8.9885 8.9885 8.9998 8.9998 9.3014 9.3014 9.3041 9.3041 9.8942 9.8942 9.9494 9.9494 10.1734 10.1734 10.2231 10.2231 12.7280 12.7280 12.7385 12.7385 13.2310 13.2310 13.3188 13.3188 k = 0.0636-0.0000 0.2408 ( 3234 PWs) bands (ev): -3.1067 -3.1067 -3.1066 -3.1066 0.1446 0.1446 0.1448 0.1448 4.4439 4.4439 4.4454 4.4454 6.7459 6.7459 6.7472 6.7472 7.9215 7.9215 7.9235 7.9235 8.9838 8.9838 8.9979 8.9979 9.2952 9.2952 9.2998 9.2998 9.8629 9.8629 9.9177 9.9177 10.1886 10.1886 10.2376 10.2376 12.7051 12.7051 12.7203 12.7203 13.2078 13.2078 13.3171 13.3171 k = 0.0727-0.0000 0.2408 ( 3238 PWs) bands (ev): -3.0866 -3.0866 -3.0865 -3.0865 0.1604 0.1604 0.1607 0.1607 4.4628 4.4628 4.4645 4.4645 6.7620 6.7620 6.7634 6.7634 7.9192 7.9192 7.9215 7.9215 8.9776 8.9776 8.9950 8.9950 9.2877 9.2877 9.2950 9.2950 9.8301 9.8301 9.8840 9.8840 10.2030 10.2030 10.2510 10.2510 12.6699 12.6699 12.6915 12.6915 13.1772 13.1772 13.2940 13.2940 k = 0.0818-0.0000 0.2408 ( 3238 PWs) bands (ev): -3.0639 -3.0639 -3.0637 -3.0637 0.1783 0.1783 0.1787 0.1787 4.4842 4.4842 4.4860 4.4860 6.7800 6.7800 6.7816 6.7816 7.9164 7.9164 7.9191 7.9191 8.9693 8.9693 8.9904 8.9904 9.2787 9.2787 9.2897 9.2897 9.7960 9.7960 9.8485 9.8485 10.2165 10.2165 10.2634 10.2634 12.6183 12.6183 12.6476 12.6476 13.1434 13.1434 13.2441 13.2441 k = 0.0909-0.0000 0.2408 ( 3238 PWs) bands (ev): -3.0385 -3.0385 -3.0383 -3.0383 0.1983 0.1983 0.1987 0.1987 4.5080 4.5080 4.5100 4.5100 6.8000 6.8000 6.8017 6.8017 7.9134 7.9134 7.9165 7.9165 8.9584 8.9584 8.9836 8.9836 9.2683 9.2683 9.2840 9.2840 9.7608 9.7608 9.8113 9.8113 10.2290 10.2290 10.2748 10.2748 12.5479 12.5479 12.5845 12.5845 13.1129 13.1129 13.1888 13.1888 k = 0.1000-0.0000 0.2408 ( 3238 PWs) bands (ev): -3.0104 -3.0104 -3.0103 -3.0103 0.2202 0.2202 0.2207 0.2207 4.5343 4.5343 4.5363 4.5363 6.8218 6.8218 6.8235 6.8235 7.9100 7.9100 7.9135 7.9135 8.9439 8.9439 8.9736 8.9736 9.2565 9.2565 9.2779 9.2779 9.7248 9.7248 9.7725 9.7725 10.2406 10.2406 10.2853 10.2853 12.4595 12.4595 12.5014 12.5014 13.0904 13.0904 13.1447 13.1447 k = 0.1091-0.0000 0.2408 ( 3246 PWs) bands (ev): -2.9798 -2.9798 -2.9796 -2.9796 0.2442 0.2442 0.2446 0.2446 4.5629 4.5629 4.5651 4.5651 6.8453 6.8453 6.8471 6.8471 7.9061 7.9061 7.9101 7.9101 8.9251 8.9251 8.9592 8.9592 9.2435 9.2435 9.2714 9.2714 9.6886 9.6886 9.7326 9.7326 10.2512 10.2512 10.2946 10.2946 12.3572 12.3572 12.4017 12.4017 13.0768 13.0768 13.1156 13.1156 k = 0.1182-0.0000 0.2408 ( 3250 PWs) bands (ev): -2.9466 -2.9466 -2.9464 -2.9464 0.2700 0.2700 0.2706 0.2706 4.5938 4.5938 4.5961 4.5961 6.8703 6.8703 6.8721 6.8721 7.9019 7.9019 7.9065 7.9065 8.9008 8.9008 8.9387 8.9387 9.2300 9.2300 9.2649 9.2649 9.6526 9.6526 9.6919 9.6919 10.2608 10.2608 10.3029 10.3029 12.2461 12.2461 12.2910 12.2910 13.0711 13.0711 13.0993 13.0993 k = 0.1273-0.0000 0.2408 ( 3252 PWs) bands (ev): -2.9107 -2.9107 -2.9105 -2.9105 0.2978 0.2978 0.2984 0.2984 4.6271 4.6271 4.6295 4.6295 6.8967 6.8967 6.8985 6.8985 7.8973 7.8973 7.9024 7.9024 8.8698 8.8698 8.9102 8.9102 9.2165 9.2165 9.2583 9.2583 9.6176 9.6176 9.6510 9.6510 10.2694 10.2694 10.3102 10.3102 12.1310 12.1310 12.1751 12.1751 13.0716 13.0716 13.0928 13.0928 k = 0.1364-0.0000 0.2408 ( 3248 PWs) bands (ev): -2.8723 -2.8723 -2.8721 -2.8721 0.3274 0.3274 0.3281 0.3281 4.6626 4.6626 4.6650 4.6650 6.9244 6.9244 6.9260 6.9260 7.8922 7.8922 7.8980 7.8980 8.8309 8.8309 8.8721 8.8721 9.2041 9.2041 9.2519 9.2519 9.5841 9.5841 9.6108 9.6108 10.2770 10.2770 10.3163 10.3163 12.0158 12.0158 12.0584 12.0584 13.0767 13.0767 13.0931 13.0931 k = 0.1455-0.0000 0.2408 ( 3252 PWs) bands (ev): -2.8313 -2.8313 -2.8311 -2.8311 0.3589 0.3589 0.3596 0.3596 4.7003 4.7003 4.7027 4.7027 6.9529 6.9529 6.9544 6.9544 7.8866 7.8866 7.8931 7.8931 8.7830 8.7830 8.8230 8.8230 9.1932 9.1932 9.2456 9.2456 9.5525 9.5525 9.5718 9.5718 10.2835 10.2835 10.3213 10.3213 11.9033 11.9033 11.9441 11.9441 13.0854 13.0854 13.0985 13.0985 k = 0.1545-0.0000 0.2408 ( 3252 PWs) bands (ev): -2.7878 -2.7878 -2.7876 -2.7876 0.3921 0.3921 0.3929 0.3929 4.7402 4.7402 4.7426 4.7426 6.9820 6.9820 6.9833 6.9833 7.8805 7.8805 7.8878 7.8878 8.7254 8.7254 8.7623 8.7623 9.1842 9.1842 9.2396 9.2396 9.5230 9.5230 9.5348 9.5348 10.2889 10.2889 10.3252 10.3252 11.7955 11.7955 11.8344 11.8344 13.0968 13.0968 13.1075 13.1075 k = 0.1636-0.0000 0.2408 ( 3252 PWs) bands (ev): -2.7418 -2.7418 -2.7416 -2.7416 0.4270 0.4270 0.4279 0.4279 4.7821 4.7821 4.7844 4.7844 7.0113 7.0113 7.0123 7.0123 7.8736 7.8736 7.8818 7.8818 8.6582 8.6582 8.6905 8.6905 9.1769 9.1769 9.2337 9.2337 9.4955 9.4955 9.5002 9.5002 10.2932 10.2932 10.3280 10.3280 11.6941 11.6941 11.7311 11.7311 13.1104 13.1104 13.1193 13.1193 k = 0.1727-0.0000 0.2408 ( 3250 PWs) bands (ev): -2.6933 -2.6933 -2.6930 -2.6930 0.4636 0.4636 0.4645 0.4645 4.8260 4.8260 4.8281 4.8281 7.0402 7.0402 7.0407 7.0407 7.8659 7.8659 7.8751 7.8751 8.5818 8.5818 8.6089 8.6089 9.1709 9.1709 9.2277 9.2277 9.4683 9.4683 9.4700 9.4700 10.2964 10.2964 10.3295 10.3295 11.6000 11.6000 11.6351 11.6351 13.1255 13.1255 13.1331 13.1331 k = 0.1818-0.0000 0.2408 ( 3250 PWs) bands (ev): -2.6424 -2.6424 -2.6421 -2.6421 0.5017 0.5017 0.5027 0.5027 4.8718 4.8718 4.8737 4.8737 7.0678 7.0678 7.0679 7.0679 7.8571 7.8571 7.8673 7.8673 8.4978 8.4978 8.5195 8.5195 9.1658 9.1658 9.2212 9.2212 9.4392 9.4392 9.4460 9.4460 10.2985 10.2985 10.3299 10.3299 11.5137 11.5137 11.5470 11.5470 13.1418 13.1418 13.1483 13.1483 k = 0.1909-0.0000 0.2408 ( 3246 PWs) bands (ev): -2.5890 -2.5890 -2.5887 -2.5887 0.5412 0.5412 0.5423 0.5423 4.9194 4.9194 4.9209 4.9209 7.0924 7.0924 7.0933 7.0933 7.8465 7.8465 7.8579 7.8579 8.4084 8.4084 8.4249 8.4249 9.1608 9.1608 9.2137 9.2137 9.4129 9.4129 9.4233 9.4233 10.2994 10.2994 10.3291 10.3291 11.4354 11.4354 11.4669 11.4669 13.1585 13.1585 13.1644 13.1644 k = 0.2000-0.0000 0.2408 ( 3246 PWs) bands (ev): -2.5333 -2.5333 -2.5330 -2.5330 0.5822 0.5822 0.5834 0.5834 4.9687 4.9687 4.9696 4.9696 7.1130 7.1130 7.1148 7.1148 7.8333 7.8333 7.8460 7.8460 8.3173 8.3173 8.3290 8.3290 9.1552 9.1552 9.2044 9.2044 9.3895 9.3895 9.4018 9.4018 10.2990 10.2990 10.3271 10.3271 11.3652 11.3652 11.3948 11.3948 13.1747 13.1747 13.1805 13.1805 k = 0.2091-0.0000 0.2408 ( 3242 PWs) bands (ev): -2.4752 -2.4752 -2.4749 -2.4749 0.6245 0.6245 0.6258 0.6258 5.0194 5.0194 5.0198 5.0198 7.1271 7.1271 7.1303 7.1303 7.8161 7.8161 7.8302 7.8302 8.2291 8.2291 8.2367 8.2367 9.1485 9.1485 9.1926 9.1926 9.3693 9.3693 9.3816 9.3816 10.2975 10.2975 10.3239 10.3239 11.3027 11.3027 11.3304 11.3304 13.1862 13.1862 13.1938 13.1938 k = 0.2182-0.0000 0.2408 ( 3242 PWs) bands (ev): -2.4148 -2.4148 -2.4145 -2.4145 0.6679 0.6679 0.6693 0.6693 5.0710 5.0710 5.0715 5.0715 7.1315 7.1315 7.1365 7.1365 7.7931 7.7931 7.8083 7.8083 8.1500 8.1500 8.1544 8.1544 9.1397 9.1397 9.1775 9.1775 9.3522 9.3522 9.3627 9.3627 10.2947 10.2947 10.3195 10.3195 11.2474 11.2474 11.2733 11.2733 13.1561 13.1561 13.1800 13.1800 k = 0.2273-0.0000 0.2408 ( 3232 PWs) bands (ev): -2.3521 -2.3521 -2.3518 -2.3518 0.7124 0.7124 0.7140 0.7140 5.1231 5.1231 5.1248 5.1248 7.1217 7.1217 7.1291 7.1291 7.7635 7.7635 7.7793 7.7793 8.0866 8.0866 8.0890 8.0890 9.1280 9.1280 9.1585 9.1585 9.3386 9.3386 9.3456 9.3456 10.2908 10.2908 10.3139 10.3139 11.1990 11.1990 11.2229 11.2229 13.0339 13.0339 13.0647 13.0647 k = 0.2364-0.0000 0.2408 ( 3240 PWs) bands (ev): -2.2873 -2.2873 -2.2869 -2.2869 0.7579 0.7579 0.7595 0.7595 5.1757 5.1757 5.1789 5.1789 7.0926 7.0926 7.1033 7.1033 7.7296 7.7296 7.7456 7.7456 8.0423 8.0423 8.0440 8.0440 9.1127 9.1127 9.1352 9.1352 9.3280 9.3280 9.3306 9.3306 10.2855 10.2855 10.3072 10.3072 11.1566 11.1566 11.1787 11.1787 12.8936 12.8936 12.9219 12.9219 k = 0.2455-0.0000 0.2408 ( 3248 PWs) bands (ev): -2.2203 -2.2203 -2.2199 -2.2199 0.8040 0.8040 0.8058 0.8058 5.2284 5.2284 5.2334 5.2334 7.0406 7.0406 7.0552 7.0552 7.6978 7.6978 7.7138 7.7138 8.0160 8.0160 8.0175 8.0175 9.0931 9.0931 9.1078 9.1078 9.3181 9.3181 9.3202 9.3202 10.2790 10.2790 10.2992 10.2992 11.1199 11.1199 11.1401 11.1401 12.7544 12.7544 12.7804 12.7804 k = 0.2545-0.0000 0.2408 ( 3244 PWs) bands (ev): -2.1512 -2.1512 -2.1509 -2.1509 0.8508 0.8508 0.8528 0.8528 5.2804 5.2804 5.2880 5.2880 6.9656 6.9656 6.9848 6.9848 7.6734 7.6734 7.6898 7.6898 8.0035 8.0035 8.0048 8.0048 9.0693 9.0693 9.0769 9.0769 9.3084 9.3084 9.3146 9.3146 10.2712 10.2712 10.2902 10.2902 11.0882 11.0882 11.1066 11.1066 12.6196 12.6196 12.6439 12.6439 k = 0.2636-0.0000 0.2408 ( 3248 PWs) bands (ev): -2.0802 -2.0802 -2.0798 -2.0798 0.8981 0.8981 0.9002 0.9002 5.3310 5.3310 5.3419 5.3419 6.8714 6.8714 6.8960 6.8960 7.6575 7.6575 7.6751 7.6751 8.0010 8.0010 8.0012 8.0012 9.0414 9.0414 9.0428 9.0428 9.3011 9.3011 9.3107 9.3107 10.2621 10.2621 10.2800 10.2800 11.0609 11.0609 11.0776 11.0776 12.4907 12.4907 12.5137 12.5137 k = 0.2727-0.0000 0.2408 ( 3256 PWs) bands (ev): -2.0072 -2.0072 -2.0068 -2.0068 0.9455 0.9455 0.9478 0.9478 5.3789 5.3789 5.3941 5.3941 6.7643 6.7643 6.7951 6.7951 7.6483 7.6483 7.6677 7.6677 8.0036 8.0036 8.0054 8.0054 9.0063 9.0063 9.0101 9.0101 9.2960 9.2960 9.3080 9.3080 10.2517 10.2517 10.2686 10.2686 11.0375 11.0375 11.0524 11.0524 12.3683 12.3683 12.3905 12.3905 k = 0.2818-0.0000 0.2408 ( 3260 PWs) bands (ev): -1.9324 -1.9324 -1.9320 -1.9320 0.9929 0.9929 0.9954 0.9954 5.4223 5.4223 5.4433 5.4433 6.6506 6.6506 6.6889 6.6889 7.6429 7.6429 7.6649 7.6649 8.0097 8.0097 8.0145 8.0145 8.9682 8.9682 8.9766 8.9766 9.2928 9.2928 9.3063 9.3063 10.2399 10.2399 10.2560 10.2560 11.0176 11.0176 11.0309 11.0309 12.2532 12.2532 12.2747 12.2747 k = 0.2909-0.0000 0.2408 ( 3260 PWs) bands (ev): -1.8559 -1.8559 -1.8554 -1.8554 1.0400 1.0400 1.0428 1.0428 5.4586 5.4586 5.4871 5.4871 6.5363 6.5363 6.5839 6.5839 7.6393 7.6393 7.6645 7.6645 8.0171 8.0171 8.0261 8.0261 8.9296 8.9296 8.9420 8.9420 9.2911 9.2911 9.3054 9.3054 10.2268 10.2268 10.2422 10.2422 11.0008 11.0008 11.0125 11.0125 12.1455 12.1455 12.1665 12.1665 k = 0.3000-0.0000 0.2408 ( 3260 PWs) bands (ev): -1.7777 -1.7777 -1.7773 -1.7773 1.0867 1.0867 1.0897 1.0897 5.4839 5.4839 5.5220 5.5220 6.4280 6.4280 6.4867 6.4867 7.6361 7.6361 7.6652 7.6652 8.0237 8.0237 8.0379 8.0379 8.8918 8.8918 8.9080 8.9080 9.2906 9.2906 9.3051 9.3051 10.2124 10.2124 10.2273 10.2273 10.9866 10.9866 10.9968 10.9968 12.0453 12.0453 12.0661 12.0661 k = 0.3091-0.0000 0.2408 ( 3258 PWs) bands (ev): -1.6981 -1.6981 -1.6977 -1.6977 1.1325 1.1325 1.1357 1.1357 5.4935 5.4935 5.5424 5.5424 6.3332 6.3332 6.4044 6.4044 7.6324 7.6324 7.6661 7.6661 8.0272 8.0272 8.0477 8.0477 8.8565 8.8565 8.8765 8.8765 9.2911 9.2911 9.3055 9.3055 10.1966 10.1966 10.2112 10.2112 10.9747 10.9747 10.9834 10.9834 11.9528 11.9528 11.9734 11.9734 k = 0.3182-0.0000 0.2408 ( 3250 PWs) bands (ev): -1.6172 -1.6172 -1.6167 -1.6167 1.1771 1.1771 1.1806 1.1806 5.4818 5.4818 5.5410 5.5410 6.2606 6.2606 6.3436 6.3436 7.6280 7.6280 7.6669 7.6669 8.0251 8.0251 8.0530 8.0530 8.8257 8.8257 8.8493 8.8493 9.2926 9.2926 9.3063 9.3063 10.1795 10.1795 10.1939 10.1939 10.9648 10.9648 10.9720 10.9720 11.8678 11.8678 11.8884 11.8884 k = 0.3273-0.0000 0.2408 ( 3254 PWs) bands (ev): -1.5351 -1.5351 -1.5347 -1.5347 1.2202 1.2202 1.2241 1.2241 5.4459 5.4459 5.5116 5.5116 6.2176 6.2176 6.3089 6.3089 7.6225 7.6225 7.6674 7.6674 8.0155 8.0155 8.0515 8.0515 8.8012 8.8012 8.8281 8.8281 9.2949 9.2949 9.3077 9.3077 10.1612 10.1612 10.1756 10.1756 10.9566 10.9566 10.9624 10.9624 11.7901 11.7901 11.8108 11.8108 k = 0.3364-0.0000 0.2408 ( 3250 PWs) bands (ev): -1.4521 -1.4521 -1.4516 -1.4516 1.2614 1.2614 1.2656 1.2656 5.3867 5.3867 5.4539 5.4539 6.2055 6.2055 6.2998 6.2998 7.6158 7.6158 7.6676 7.6676 7.9969 7.9969 8.0416 8.0416 8.7847 8.7847 8.8143 8.8143 9.2982 9.2982 9.3098 9.3098 10.1418 10.1418 10.1563 10.1563 10.9499 10.9499 10.9542 10.9542 11.7194 11.7194 11.7403 11.7403 k = 0.3455-0.0000 0.2408 ( 3246 PWs) bands (ev): -1.3683 -1.3683 -1.3678 -1.3678 1.3003 1.3003 1.3049 1.3049 5.3093 5.3093 5.3742 5.3742 6.2186 6.2186 6.3121 6.3121 7.6076 7.6076 7.6672 7.6672 7.9690 7.9690 8.0228 8.0228 8.7768 8.7768 8.8083 8.8083 9.3023 9.3023 9.3125 9.3125 10.1215 10.1215 10.1361 10.1361 10.9444 10.9444 10.9473 10.9473 11.6554 11.6554 11.6766 11.6766 k = 0.3545-0.0000 0.2408 ( 3258 PWs) bands (ev): -1.2841 -1.2841 -1.2836 -1.2836 1.3364 1.3364 1.3414 1.3414 5.2203 5.2203 5.2811 5.2811 6.2488 6.2488 6.3400 6.3400 7.5975 7.5975 7.6660 7.6660 7.9327 7.9327 7.9957 7.9957 8.7771 8.7771 8.8094 8.8094 9.3073 9.3073 9.3158 9.3158 10.1004 10.1004 10.1153 10.1153 10.9399 10.9399 10.9413 10.9413 11.5977 11.5977 11.6192 11.6192 k = 0.3636-0.0000 0.2408 ( 3264 PWs) bands (ev): -1.1996 -1.1996 -1.1991 -1.1991 1.3695 1.3695 1.3749 1.3749 5.1251 5.1251 5.1818 5.1818 6.2897 6.2897 6.3783 6.3783 7.5849 7.5849 7.6631 7.6631 7.8901 7.8901 7.9623 7.9623 8.7846 8.7846 8.8165 8.8165 9.3132 9.3132 9.3200 9.3200 10.0789 10.0789 10.0942 10.0942 10.9359 10.9359 10.9361 10.9361 11.5458 11.5458 11.5678 11.5678 k = 0.3727-0.0000 0.2408 ( 3266 PWs) bands (ev): -1.1154 -1.1154 -1.1148 -1.1148 1.3990 1.3990 1.4048 1.4048 5.0280 5.0280 5.0810 5.0810 6.3368 6.3368 6.4232 6.4232 7.5690 7.5690 7.6567 7.6567 7.8449 7.8449 7.9255 7.9255 8.7974 8.7974 8.8280 8.8280 9.3201 9.3201 9.3249 9.3249 10.0572 10.0572 10.0731 10.0731 10.9312 10.9312 10.9330 10.9330 11.4993 11.4993 11.5220 11.5220 k = 0.3818-0.0000 0.2408 ( 3266 PWs) bands (ev): -1.0316 -1.0316 -1.0310 -1.0310 1.4246 1.4246 1.4308 1.4308 4.9322 4.9322 4.9821 4.9821 6.3872 6.3872 6.4720 6.4720 7.5487 7.5487 7.6427 7.6427 7.8031 7.8031 7.8884 7.8884 8.8136 8.8136 8.8422 8.8422 9.3278 9.3278 9.3305 9.3305 10.0359 10.0359 10.0524 10.0524 10.9268 10.9268 10.9304 10.9304 11.4579 11.4579 11.4812 11.4812 k = 0.3909-0.0000 0.2408 ( 3270 PWs) bands (ev): -0.9489 -0.9489 -0.9483 -0.9483 1.4459 1.4459 1.4526 1.4526 4.8398 4.8398 4.8871 4.8871 6.4391 6.4391 6.5228 6.5228 7.5229 7.5229 7.6152 7.6152 7.7723 7.7723 7.8541 7.8541 8.8315 8.8315 8.8575 8.8575 9.3360 9.3360 9.3366 9.3366 10.0152 10.0152 10.0326 10.0326 10.9227 10.9227 10.9281 10.9281 11.4210 11.4210 11.4450 11.4450 k = 0.4000-0.0000 0.2408 ( 3282 PWs) bands (ev): -0.8677 -0.8677 -0.8671 -0.8671 1.4628 1.4628 1.4699 1.4699 4.7523 4.7523 4.7976 4.7976 6.4914 6.4914 6.5742 6.5742 7.4909 7.4909 7.5722 7.5722 7.7561 7.7561 7.8250 7.8250 8.8496 8.8496 8.8726 8.8726 9.3432 9.3432 9.3445 9.3445 9.9959 9.9959 10.0143 10.0143 10.9185 10.9185 10.9259 10.9259 11.3883 11.3883 11.4132 11.4132 k = 0.4091-0.0000 0.2408 ( 3282 PWs) bands (ev): -0.7887 -0.7887 -0.7880 -0.7880 1.4751 1.4751 1.4826 1.4826 4.6711 4.6711 4.7148 4.7148 6.5430 6.5430 6.6251 6.6251 7.4530 7.4530 7.5187 7.5187 7.7509 7.7509 7.8023 7.8023 8.8669 8.8669 8.8869 8.8869 9.3497 9.3497 9.3529 9.3529 9.9783 9.9783 9.9979 9.9979 10.9144 10.9144 10.9239 10.9239 11.3595 11.3595 11.3854 11.3854 k = 0.4182-0.0000 0.2408 ( 3278 PWs) bands (ev): -0.7125 -0.7125 -0.7117 -0.7117 1.4828 1.4828 1.4908 1.4908 4.5969 4.5969 4.6393 4.6393 6.5934 6.5934 6.6747 6.6747 7.4105 7.4105 7.4602 7.4602 7.7519 7.7519 7.7859 7.7859 8.8827 8.8827 8.8995 8.8995 9.3560 9.3560 9.3608 9.3608 9.9630 9.9630 9.9839 9.9839 10.9103 10.9103 10.9219 10.9219 11.3343 11.3343 11.3612 11.3612 k = 0.4273-0.0000 0.2408 ( 3278 PWs) bands (ev): -0.6399 -0.6399 -0.6391 -0.6391 1.4863 1.4863 1.4947 1.4947 4.5304 4.5304 4.5717 4.5717 6.6421 6.6421 6.7223 6.7223 7.3652 7.3652 7.4004 7.4004 7.7564 7.7564 7.7750 7.7750 8.8964 8.8964 8.9103 8.9103 9.3615 9.3615 9.3675 9.3675 9.9503 9.9503 9.9727 9.9727 10.9060 10.9060 10.9198 10.9198 11.3123 11.3123 11.3404 11.3404 k = 0.4364-0.0000 0.2408 ( 3274 PWs) bands (ev): -0.5720 -0.5720 -0.5711 -0.5711 1.4860 1.4860 1.4947 1.4947 4.4719 4.4719 4.5124 4.5124 6.6890 6.6890 6.7676 6.7676 7.3189 7.3189 7.3413 7.3413 7.7628 7.7628 7.7685 7.7685 8.9079 8.9079 8.9190 8.9190 9.3660 9.3660 9.3728 9.3728 9.9404 9.9404 9.9644 9.9644 10.9017 10.9017 10.9176 10.9176 11.2934 11.2934 11.3227 11.3227 k = 0.4455-0.0000 0.2408 ( 3270 PWs) bands (ev): -0.5096 -0.5096 -0.5087 -0.5087 1.4825 1.4825 1.4916 1.4916 4.4216 4.4216 4.4614 4.4614 6.7338 6.7338 6.8103 6.8103 7.2731 7.2731 7.2840 7.2840 7.7652 7.7652 7.7703 7.7703 8.9172 8.9172 8.9258 8.9258 9.3692 9.3692 9.3766 9.3766 9.9334 9.9334 9.9590 9.9590 10.8975 10.8975 10.9155 10.9155 11.2774 11.2774 11.3078 11.3078 k = 0.4545-0.0000 0.2408 ( 3270 PWs) bands (ev): -0.4540 -0.4540 -0.4530 -0.4530 1.4768 1.4768 1.4862 1.4862 4.3794 4.3794 4.4187 4.4187 6.7767 6.7767 6.8501 6.8501 7.2289 7.2289 7.2294 7.2294 7.7641 7.7641 7.7780 7.7780 8.9244 8.9244 8.9308 8.9308 9.3711 9.3711 9.3788 9.3788 9.9289 9.9289 9.9559 9.9559 10.8934 10.8934 10.9133 10.9133 11.2641 11.2641 11.2956 11.2956 k = 0.4636-0.0000 0.2408 ( 3270 PWs) bands (ev): -0.4063 -0.4063 -0.4052 -0.4052 1.4699 1.4699 1.4795 1.4795 4.3453 4.3453 4.3843 4.3843 6.8177 6.8177 6.8872 6.8872 7.1780 7.1780 7.1873 7.1873 7.7645 7.7645 7.7854 7.7854 8.9297 8.9297 8.9343 8.9343 9.3719 9.3719 9.3797 9.3797 9.9264 9.9264 9.9549 9.9549 10.8897 10.8897 10.9113 10.9113 11.2534 11.2534 11.2858 11.2858 k = 0.4727-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3676 -0.3676 -0.3665 -0.3665 1.4630 1.4630 1.4728 1.4728 4.3191 4.3191 4.3578 4.3578 6.8568 6.8568 6.9214 6.9214 7.1301 7.1301 7.1489 7.1489 7.7656 7.7656 7.7919 7.7919 8.9335 8.9335 8.9366 8.9366 9.3721 9.3721 9.3799 9.3799 9.9254 9.9254 9.9550 9.9550 10.8866 10.8866 10.9095 10.9095 11.2452 11.2452 11.2784 11.2784 k = 0.4818-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3391 -0.3391 -0.3380 -0.3380 1.4571 1.4571 1.4670 1.4670 4.3006 4.3006 4.3391 4.3391 6.8938 6.8938 6.9525 6.9525 7.0867 7.0867 7.1144 7.1144 7.7668 7.7668 7.7969 7.7969 8.9359 8.9359 8.9381 8.9381 9.3718 9.3718 9.3796 9.3796 9.9253 9.9253 9.9557 9.9557 10.8840 10.8840 10.9080 10.9080 11.2394 11.2394 11.2732 11.2732 k = 0.4909-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3216 -0.3216 -0.3204 -0.3204 1.4531 1.4531 1.4631 1.4631 4.2896 4.2896 4.3279 4.3279 6.9259 6.9259 6.9783 6.9783 7.0505 7.0505 7.0865 7.0865 7.7677 7.7677 7.8001 7.8001 8.9373 8.9373 8.9388 8.9388 9.3715 9.3715 9.3792 9.3792 9.9255 9.9255 9.9564 9.9564 10.8825 10.8825 10.9072 10.9072 11.2359 11.2359 11.2701 11.2701 k = 0.5000-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3157 -0.3157 -0.3145 -0.3145 1.4517 1.4517 1.4618 1.4618 4.2859 4.2859 4.3242 4.3242 6.9416 6.9416 6.9901 6.9901 7.0335 7.0335 7.0739 7.0739 7.7681 7.7681 7.8012 7.8012 8.9377 8.9377 8.9390 8.9390 9.3714 9.3714 9.3791 9.3791 9.9256 9.9256 9.9567 9.9567 10.8820 10.8820 10.9069 10.9069 11.2348 11.2348 11.2691 11.2691 k = 0.5000-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3157 -0.3157 -0.3145 -0.3145 1.4517 1.4517 1.4618 1.4618 4.2859 4.2859 4.3242 4.3242 6.9416 6.9416 6.9901 6.9901 7.0335 7.0335 7.0739 7.0739 7.7681 7.7681 7.8012 7.8012 8.9377 8.9377 8.9390 8.9390 9.3714 9.3714 9.3791 9.3791 9.9256 9.9256 9.9567 9.9567 10.8820 10.8820 10.9069 10.9069 11.2348 11.2348 11.2691 11.2691 k = 0.5000 0.0091 0.2408 ( 3268 PWs) bands (ev): -0.3156 -0.3156 -0.3144 -0.3144 1.4523 1.4523 1.4623 1.4623 4.2856 4.2856 4.3238 4.3238 6.9176 6.9176 6.9596 6.9596 7.0523 7.0523 7.0990 7.0990 7.7693 7.7693 7.8020 7.8020 8.9413 8.9413 8.9431 8.9431 9.3723 9.3723 9.3800 9.3800 9.9230 9.9230 9.9537 9.9537 10.8823 10.8823 10.9071 10.9071 11.2400 11.2400 11.2740 11.2740 k = 0.5000 0.0181 0.2408 ( 3276 PWs) bands (ev): -0.3152 -0.3152 -0.3140 -0.3140 1.4539 1.4539 1.4639 1.4639 4.2845 4.2845 4.3223 4.3223 6.8683 6.8683 6.9023 6.9023 7.0860 7.0860 7.1402 7.1402 7.7730 7.7730 7.8046 7.8046 8.9519 8.9519 8.9551 8.9551 9.3750 9.3750 9.3825 9.3825 9.9154 9.9154 9.9451 9.9451 10.8832 10.8832 10.9075 10.9075 11.2553 11.2553 11.2883 11.2883 k = 0.5000 0.0272 0.2408 ( 3272 PWs) bands (ev): -0.3146 -0.3146 -0.3134 -0.3134 1.4567 1.4567 1.4666 1.4666 4.2827 4.2827 4.3200 4.3200 6.8089 6.8089 6.8360 6.8360 7.1202 7.1202 7.1804 7.1804 7.7790 7.7790 7.8088 7.8088 8.9691 8.9691 8.9746 8.9746 9.3796 9.3796 9.3867 9.3867 9.9034 9.9034 9.9315 9.9315 10.8848 10.8848 10.9084 10.9084 11.2805 11.2805 11.3119 11.3119 k = 0.5000 0.0363 0.2408 ( 3280 PWs) bands (ev): -0.3137 -0.3137 -0.3125 -0.3125 1.4605 1.4605 1.4703 1.4703 4.2803 4.2803 4.3169 4.3169 6.7429 6.7429 6.7640 6.7640 7.1522 7.1522 7.2172 7.2172 7.7869 7.7869 7.8145 7.8145 8.9918 8.9918 9.0002 9.0002 9.3858 9.3858 9.3925 9.3925 9.8878 9.8878 9.9138 9.9138 10.8867 10.8867 10.9095 10.9095 11.3147 11.3147 11.3442 11.3442 k = 0.5000 0.0453 0.2408 ( 3272 PWs) bands (ev): -0.3126 -0.3126 -0.3114 -0.3114 1.4653 1.4653 1.4750 1.4750 4.2774 4.2774 4.3131 4.3131 6.6717 6.6717 6.6873 6.6873 7.1817 7.1817 7.2506 7.2506 7.7965 7.7965 7.8215 7.8215 9.0189 9.0189 9.0309 9.0309 9.3936 9.3936 9.3999 9.3999 9.8698 9.8698 9.8931 9.8931 10.8890 10.8890 10.9111 10.9111 11.3572 11.3572 11.3846 11.3846 k = 0.5000 0.0544 0.2408 ( 3280 PWs) bands (ev): -0.3112 -0.3112 -0.3101 -0.3101 1.4712 1.4712 1.4807 1.4807 4.2741 4.2741 4.3088 4.3088 6.5960 6.5960 6.6069 6.6069 7.2091 7.2091 7.2807 7.2807 7.8073 7.8073 7.8295 7.8295 9.0490 9.0490 9.0648 9.0648 9.4028 9.4028 9.4085 9.4085 9.8507 9.8507 9.8708 9.8708 10.8916 10.8916 10.9129 10.9129 11.4073 11.4073 11.4325 11.4325 k = 0.5000 0.0634 0.2408 ( 3268 PWs) bands (ev): -0.3097 -0.3097 -0.3086 -0.3086 1.4779 1.4779 1.4872 1.4872 4.2706 4.2706 4.3041 4.3041 6.5166 6.5166 6.5234 6.5234 7.2349 7.2349 7.3082 7.3082 7.8191 7.8191 7.8385 7.8385 9.0805 9.0805 9.1004 9.1004 9.4132 9.4132 9.4184 9.4184 9.8319 9.8319 9.8483 9.8483 10.8946 10.8946 10.9152 10.9152 11.4643 11.4643 11.4872 11.4872 k = 0.5000 0.0725 0.2408 ( 3268 PWs) bands (ev): -0.3079 -0.3079 -0.3069 -0.3069 1.4855 1.4855 1.4946 1.4946 4.2671 4.2671 4.2991 4.2991 6.4342 6.4342 6.4376 6.4376 7.2593 7.2593 7.3335 7.3335 7.8316 7.8316 7.8482 7.8482 9.1116 9.1116 9.1358 9.1358 9.4246 9.4246 9.4293 9.4293 9.8149 9.8149 9.8273 9.8273 10.8977 10.8977 10.9177 10.9177 11.5274 11.5274 11.5480 11.5480 k = 0.5000 0.0816 0.2408 ( 3268 PWs) bands (ev): -0.3060 -0.3060 -0.3050 -0.3050 1.4939 1.4939 1.5028 1.5028 4.2637 4.2637 4.2942 4.2942 6.3494 6.3494 6.3499 6.3499 7.2827 7.2827 7.3570 7.3570 7.8444 7.8444 7.8585 7.8585 9.1407 9.1407 9.1690 9.1690 9.4366 9.4366 9.4409 9.4409 9.8012 9.8012 9.8093 9.8093 10.9010 10.9010 10.9205 10.9205 11.5960 11.5960 11.6143 11.6143 k = 0.5000 0.0906 0.2408 ( 3264 PWs) bands (ev): -0.3039 -0.3039 -0.3029 -0.3029 1.5031 1.5031 1.5116 1.5116 4.2606 4.2606 4.2895 4.2895 6.2611 6.2611 6.2630 6.2630 7.3053 7.3053 7.3792 7.3792 7.8573 7.8573 7.8692 7.8692 9.1661 9.1661 9.1982 9.1982 9.4490 9.4490 9.4529 9.4529 9.7926 9.7926 9.7961 9.7961 10.9046 10.9046 10.9236 10.9236 11.6696 11.6696 11.6858 11.6858 k = 0.5000 0.0997 0.2408 ( 3268 PWs) bands (ev): -0.3017 -0.3017 -0.3007 -0.3007 1.5128 1.5128 1.5210 1.5210 4.2580 4.2580 4.2853 4.2853 6.1716 6.1716 6.1755 6.1755 7.3274 7.3274 7.4002 7.4002 7.8701 7.8701 7.8801 7.8801 9.1863 9.1863 9.2216 9.2216 9.4613 9.4613 9.4650 9.4650 9.7894 9.7894 9.7902 9.7902 10.9083 10.9083 10.9269 10.9269 11.7478 11.7478 11.7617 11.7617 k = 0.5000 0.1088 0.2408 ( 3260 PWs) bands (ev): -0.2993 -0.2993 -0.2984 -0.2984 1.5230 1.5230 1.5310 1.5310 4.2562 4.2562 4.2818 4.2818 6.0818 6.0818 6.0874 6.0874 7.3492 7.3492 7.4204 7.4204 7.8826 7.8826 7.8911 7.8911 9.2005 9.2005 9.2382 9.2382 9.4734 9.4734 9.4766 9.4766 9.7907 9.7907 9.7950 9.7950 10.9121 10.9121 10.9304 10.9304 11.8302 11.8302 11.8417 11.8417 k = 0.5000 0.1178 0.2408 ( 3256 PWs) bands (ev): -0.2969 -0.2969 -0.2960 -0.2960 1.5337 1.5337 1.5413 1.5413 4.2554 4.2554 4.2791 4.2791 5.9923 5.9923 5.9992 5.9992 7.3705 7.3705 7.4400 7.4400 7.8946 7.8946 7.9019 7.9019 9.2083 9.2083 9.2474 9.2474 9.4848 9.4848 9.4873 9.4873 9.8004 9.8004 9.8074 9.8074 10.9161 10.9161 10.9340 10.9340 11.9161 11.9161 11.9252 11.9252 k = 0.5000 0.1269 0.2408 ( 3256 PWs) bands (ev): -0.2943 -0.2943 -0.2935 -0.2935 1.5447 1.5447 1.5519 1.5519 4.2557 4.2557 4.2776 4.2776 5.9035 5.9035 5.9114 5.9114 7.3916 7.3916 7.4589 7.4589 7.9059 7.9059 7.9123 7.9123 9.2102 9.2102 9.2497 9.2497 9.4952 9.4952 9.4967 9.4967 9.8183 9.8183 9.8269 9.8269 10.9202 10.9202 10.9378 10.9378 12.0050 12.0050 12.0116 12.0116 k = 0.5000 0.1359 0.2408 ( 3256 PWs) bands (ev): -0.2918 -0.2918 -0.2910 -0.2910 1.5558 1.5558 1.5626 1.5626 4.2574 4.2574 4.2775 4.2775 5.8157 5.8157 5.8245 5.8245 7.4125 7.4125 7.4774 7.4774 7.9163 7.9163 7.9223 7.9223 9.2071 9.2071 9.2460 9.2460 9.5044 9.5044 9.5048 9.5048 9.8432 9.8432 9.8525 9.8525 10.9243 10.9243 10.9414 10.9414 12.0963 12.0963 12.1003 12.1003 k = 0.5000 0.1450 0.2408 ( 3248 PWs) bands (ev): -0.2892 -0.2892 -0.2885 -0.2885 1.5670 1.5670 1.5735 1.5735 4.2607 4.2607 4.2788 4.2788 5.7293 5.7293 5.7387 5.7387 7.4331 7.4331 7.4954 7.4954 7.9258 7.9258 7.9315 7.9315 9.2003 9.2003 9.2379 9.2379 9.5117 9.5117 9.5125 9.5125 9.8736 9.8736 9.8830 9.8830 10.9284 10.9284 10.9451 10.9451 12.1891 12.1891 12.1904 12.1904 k = 0.5000 0.1541 0.2408 ( 3256 PWs) bands (ev): -0.2867 -0.2867 -0.2860 -0.2860 1.5782 1.5782 1.5842 1.5842 4.2657 4.2657 4.2820 4.2820 5.6447 5.6447 5.6545 5.6545 7.4534 7.4534 7.5129 7.5129 7.9341 7.9341 7.9399 7.9399 9.1910 9.1910 9.2268 9.2268 9.5173 9.5173 9.5191 9.5191 9.9079 9.9079 9.9170 9.9170 10.9324 10.9324 10.9485 10.9485 12.2809 12.2809 12.2825 12.2825 k = 0.5000 0.1631 0.2408 ( 3264 PWs) bands (ev): -0.2841 -0.2841 -0.2836 -0.2836 1.5891 1.5891 1.5947 1.5947 4.2725 4.2725 4.2870 4.2870 5.5622 5.5622 5.5722 5.5722 7.4734 7.4734 7.5300 7.5300 7.9412 7.9412 7.9473 7.9473 9.1804 9.1804 9.2138 9.2138 9.5217 9.5217 9.5244 9.5244 9.9448 9.9448 9.9535 9.9535 10.9362 10.9362 10.9517 10.9517 12.3706 12.3706 12.3752 12.3752 k = 0.5000 0.1722 0.2408 ( 3268 PWs) bands (ev): -0.2817 -0.2817 -0.2812 -0.2812 1.5998 1.5998 1.6049 1.6049 4.2813 4.2813 4.2939 4.2939 5.4822 5.4822 5.4923 5.4923 7.4930 7.4930 7.5464 7.5464 7.9470 7.9470 7.9535 7.9535 9.1692 9.1692 9.2002 9.2002 9.5250 9.5250 9.5283 9.5283 9.9830 9.9830 9.9913 9.9913 10.9399 10.9399 10.9548 10.9548 12.4576 12.4576 12.4654 12.4654 k = 0.5000 0.1813 0.2408 ( 3268 PWs) bands (ev): -0.2794 -0.2794 -0.2789 -0.2789 1.6100 1.6100 1.6147 1.6147 4.2921 4.2921 4.3030 4.3030 5.4051 5.4051 5.4150 5.4150 7.5121 7.5121 7.5622 7.5622 7.9516 7.9516 7.9585 7.9585 9.1582 9.1582 9.1865 9.1865 9.5273 9.5273 9.5310 9.5310 10.0216 10.0216 10.0294 10.0294 10.9433 10.9433 10.9574 10.9574 12.5397 12.5397 12.5507 12.5507 k = 0.5000 0.1903 0.2408 ( 3268 PWs) bands (ev): -0.2772 -0.2772 -0.2767 -0.2767 1.6197 1.6197 1.6239 1.6239 4.3049 4.3049 4.3141 4.3141 5.3311 5.3311 5.3409 5.3409 7.5307 7.5307 7.5773 7.5773 7.9549 7.9549 7.9622 7.9622 9.1479 9.1479 9.1735 9.1735 9.5286 9.5286 9.5326 9.5326 10.0597 10.0597 10.0671 10.0671 10.9465 10.9465 10.9598 10.9598 12.6143 12.6143 12.6281 12.6281 k = 0.5000 0.1994 0.2408 ( 3268 PWs) bands (ev): -0.2751 -0.2751 -0.2747 -0.2747 1.6287 1.6287 1.6324 1.6324 4.3196 4.3196 4.3272 4.3272 5.2609 5.2609 5.2703 5.2703 7.5485 7.5485 7.5914 7.5914 7.9570 7.9570 7.9647 7.9647 9.1387 9.1387 9.1614 9.1614 9.5291 9.5291 9.5332 9.5332 10.0966 10.0966 10.1035 10.1035 10.9494 10.9494 10.9617 10.9617 12.6781 12.6781 12.6942 12.6942 k = 0.5000 0.2084 0.2408 ( 3264 PWs) bands (ev): -0.2732 -0.2732 -0.2729 -0.2729 1.6369 1.6369 1.6402 1.6402 4.3360 4.3360 4.3420 4.3420 5.1949 5.1949 5.2038 5.2038 7.5655 7.5655 7.6043 7.6043 7.9581 7.9581 7.9661 7.9661 9.1306 9.1306 9.1505 9.1505 9.5291 9.5291 9.5330 9.5330 10.1314 10.1314 10.1378 10.1378 10.9519 10.9519 10.9632 10.9632 12.7286 12.7286 12.7456 12.7456 k = 0.5000 0.2175 0.2408 ( 3264 PWs) bands (ev): -0.2715 -0.2715 -0.2712 -0.2712 1.6443 1.6443 1.6471 1.6471 4.3537 4.3537 4.3583 4.3583 5.1338 5.1338 5.1420 5.1420 7.5815 7.5815 7.6158 7.6158 7.9585 7.9585 7.9663 7.9663 9.1239 9.1239 9.1409 9.1409 9.5285 9.5285 9.5321 9.5321 10.1636 10.1636 10.1694 10.1694 10.9542 10.9542 10.9642 10.9642 12.7643 12.7643 12.7809 12.7809 k = 0.5000 0.2266 0.2408 ( 3276 PWs) bands (ev): -0.2701 -0.2701 -0.2698 -0.2698 1.6508 1.6508 1.6531 1.6531 4.3721 4.3721 4.3755 4.3755 5.0783 5.0783 5.0857 5.0857 7.5960 7.5960 7.6256 7.6256 7.9582 7.9582 7.9657 7.9657 9.1186 9.1186 9.1327 9.1327 9.5276 9.5276 9.5309 9.5309 10.1924 10.1924 10.1975 10.1975 10.9562 10.9562 10.9649 10.9649 12.7865 12.7865 12.8013 12.8013 k = 0.5000 0.2356 0.2408 ( 3280 PWs) bands (ev): -0.2688 -0.2688 -0.2686 -0.2686 1.6562 1.6562 1.6580 1.6580 4.3904 4.3904 4.3926 4.3926 5.0297 5.0297 5.0360 5.0360 7.6091 7.6091 7.6335 7.6335 7.9577 7.9577 7.9644 7.9644 9.1146 9.1146 9.1259 9.1259 9.5267 9.5267 9.5294 9.5294 10.2171 10.2171 10.2215 10.2215 10.9579 10.9579 10.9651 10.9651 12.7982 12.7982 12.8103 12.8103 k = 0.5000 0.2447 0.2408 ( 3272 PWs) bands (ev): -0.2679 -0.2679 -0.2677 -0.2677 1.6605 1.6605 1.6619 1.6619 4.4073 4.4073 4.4087 4.4087 4.9893 4.9893 4.9943 4.9943 7.6205 7.6205 7.6393 7.6393 7.9573 7.9573 7.9628 7.9628 9.1119 9.1119 9.1203 9.1203 9.5260 9.5260 9.5281 9.5281 10.2373 10.2373 10.2407 10.2407 10.9595 10.9595 10.9650 10.9650 12.8031 12.8031 12.8122 12.8122 k = 0.5000 0.2538 0.2408 ( 3276 PWs) bands (ev): -0.2672 -0.2672 -0.2670 -0.2670 1.6637 1.6637 1.6646 1.6646 4.4213 4.4213 4.4220 4.4220 4.9587 4.9587 4.9622 4.9622 7.6298 7.6298 7.6426 7.6426 7.9571 7.9571 7.9610 7.9610 9.1104 9.1104 9.1160 9.1160 9.5253 9.5253 9.5268 9.5268 10.2522 10.2522 10.2546 10.2546 10.9608 10.9608 10.9646 10.9646 12.8046 12.8046 12.8106 12.8106 k = 0.5000 0.2628 0.2408 ( 3276 PWs) bands (ev): -0.2667 -0.2667 -0.2667 -0.2667 1.6657 1.6657 1.6662 1.6662 4.4307 4.4307 4.4310 4.4310 4.9397 4.9397 4.9415 4.9415 7.6368 7.6368 7.6433 7.6433 7.9573 7.9573 7.9594 7.9594 9.1101 9.1101 9.1129 9.1129 9.5251 9.5251 9.5259 9.5259 10.2617 10.2617 10.2629 10.2629 10.9620 10.9620 10.9639 10.9639 12.8051 12.8051 12.8081 12.8081 k = 0.5000 0.2719 0.2408 ( 3280 PWs) bands (ev): -0.2666 -0.2666 -0.2665 -0.2665 1.6665 1.6665 1.6666 1.6666 4.4340 4.4340 4.4341 4.4341 4.9338 4.9338 4.9338 4.9338 7.6413 7.6413 7.6414 7.6414 7.9581 7.9581 7.9581 7.9581 9.1109 9.1109 9.1110 9.1110 9.5252 9.5252 9.5253 9.5253 10.2652 10.2652 10.2653 10.2653 10.9630 10.9630 10.9631 10.9631 12.8061 12.8061 12.8061 12.8061 k = 0.5000 0.2719 0.2408 ( 3280 PWs) bands (ev): -0.2666 -0.2666 -0.2665 -0.2665 1.6665 1.6665 1.6666 1.6666 4.4340 4.4340 4.4341 4.4341 4.9338 4.9338 4.9338 4.9338 7.6413 7.6413 7.6414 7.6414 7.9581 7.9581 7.9581 7.9581 9.1109 9.1109 9.1110 9.1110 9.5252 9.5252 9.5253 9.5253 10.2652 10.2652 10.2653 10.2653 10.9630 10.9630 10.9631 10.9631 12.8061 12.8061 12.8061 12.8061 k = 0.4909 0.2719 0.2408 ( 3276 PWs) bands (ev): -0.2701 -0.2701 -0.2700 -0.2700 1.6608 1.6608 1.6608 1.6608 4.4393 4.4393 4.4393 4.4393 4.9410 4.9410 4.9410 4.9410 7.6423 7.6423 7.6423 7.6423 7.9564 7.9564 7.9564 7.9564 9.1106 9.1106 9.1106 9.1106 9.5248 9.5248 9.5249 9.5249 10.2640 10.2640 10.2640 10.2640 10.9623 10.9623 10.9624 10.9624 12.8012 12.8012 12.8013 12.8013 k = 0.4818 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.2805 -0.2805 -0.2804 -0.2804 1.6437 1.6437 1.6437 1.6437 4.4550 4.4550 4.4550 4.4550 4.9623 4.9623 4.9623 4.9623 7.6450 7.6450 7.6451 7.6451 7.9513 7.9513 7.9513 7.9513 9.1094 9.1094 9.1095 9.1095 9.5234 9.5234 9.5235 9.5235 10.2603 10.2603 10.2604 10.2604 10.9603 10.9603 10.9604 10.9604 12.7873 12.7873 12.7873 12.7873 k = 0.4727 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.2976 -0.2976 -0.2976 -0.2976 1.6157 1.6157 1.6158 1.6158 4.4809 4.4809 4.4809 4.4809 4.9971 4.9971 4.9971 4.9971 7.6497 7.6497 7.6497 7.6497 7.9429 7.9429 7.9429 7.9429 9.1075 9.1075 9.1076 9.1076 9.5212 9.5212 9.5213 9.5213 10.2544 10.2544 10.2544 10.2544 10.9568 10.9568 10.9570 10.9570 12.7656 12.7656 12.7656 12.7656 k = 0.4636 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.3212 -0.3212 -0.3212 -0.3212 1.5777 1.5777 1.5777 1.5777 4.5167 4.5167 4.5167 4.5167 5.0446 5.0446 5.0447 5.0447 7.6561 7.6561 7.6562 7.6562 7.9314 7.9314 7.9314 7.9314 9.1049 9.1049 9.1049 9.1049 9.5180 9.5180 9.5181 9.5181 10.2462 10.2462 10.2463 10.2463 10.9521 10.9521 10.9522 10.9522 12.7379 12.7379 12.7379 12.7379 k = 0.4545 0.2719 0.2408 ( 3268 PWs) bands (ev): -0.3510 -0.3510 -0.3510 -0.3510 1.5305 1.5305 1.5305 1.5305 4.5620 4.5620 4.5620 4.5620 5.1038 5.1038 5.1038 5.1038 7.6645 7.6645 7.6646 7.6646 7.9171 7.9171 7.9171 7.9171 9.1015 9.1015 9.1015 9.1015 9.5139 9.5139 9.5140 9.5140 10.2361 10.2361 10.2362 10.2362 10.9462 10.9462 10.9463 10.9463 12.7060 12.7060 12.7061 12.7061 k = 0.4455 0.2719 0.2408 ( 3268 PWs) bands (ev): -0.3865 -0.3865 -0.3865 -0.3865 1.4751 1.4751 1.4752 1.4752 4.6163 4.6163 4.6163 4.6163 5.1732 5.1732 5.1732 5.1732 7.6747 7.6747 7.6748 7.6748 7.9002 7.9002 7.9003 7.9003 9.0972 9.0972 9.0972 9.0972 9.5088 9.5088 9.5089 9.5089 10.2244 10.2244 10.2245 10.2245 10.9393 10.9393 10.9394 10.9394 12.6716 12.6716 12.6717 12.6717 k = 0.4364 0.2719 0.2408 ( 3264 PWs) bands (ev): -0.4272 -0.4272 -0.4272 -0.4272 1.4128 1.4128 1.4129 1.4129 4.6789 4.6789 4.6789 4.6789 5.2515 5.2515 5.2515 5.2515 7.6868 7.6868 7.6869 7.6869 7.8813 7.8813 7.8813 7.8813 9.0921 9.0921 9.0921 9.0921 9.5026 9.5026 9.5027 9.5027 10.2113 10.2113 10.2114 10.2114 10.9316 10.9316 10.9318 10.9318 12.6360 12.6360 12.6361 12.6361 k = 0.4273 0.2719 0.2408 ( 3276 PWs) bands (ev): -0.4727 -0.4727 -0.4727 -0.4727 1.3446 1.3446 1.3446 1.3446 4.7492 4.7492 4.7493 4.7493 5.3372 5.3372 5.3372 5.3372 7.7006 7.7006 7.7007 7.7007 7.8608 7.8608 7.8608 7.8608 9.0861 9.0861 9.0862 9.0862 9.4953 9.4953 9.4954 9.4954 10.1972 10.1972 10.1972 10.1972 10.9232 10.9232 10.9233 10.9233 12.6002 12.6002 12.6003 12.6003 k = 0.4182 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.5224 -0.5224 -0.5224 -0.5224 1.2715 1.2715 1.2715 1.2715 4.8266 4.8266 4.8266 4.8266 5.4290 5.4290 5.4290 5.4290 7.7162 7.7162 7.7163 7.7163 7.8395 7.8395 7.8395 7.8395 9.0794 9.0794 9.0794 9.0794 9.4869 9.4869 9.4870 9.4870 10.1825 10.1825 10.1825 10.1825 10.9144 10.9144 10.9145 10.9145 12.5649 12.5649 12.5650 12.5650 k = 0.4091 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.5759 -0.5759 -0.5758 -0.5758 1.1944 1.1944 1.1944 1.1944 4.9103 4.9103 4.9103 4.9103 5.5251 5.5251 5.5252 5.5252 7.7332 7.7332 7.7333 7.7333 7.8183 7.8183 7.8184 7.8184 9.0718 9.0718 9.0719 9.0719 9.4774 9.4774 9.4775 9.4775 10.1675 10.1675 10.1675 10.1675 10.9054 10.9054 10.9055 10.9055 12.5308 12.5308 12.5308 12.5308 k = 0.4000 0.2719 0.2408 ( 3268 PWs) bands (ev): -0.6325 -0.6325 -0.6325 -0.6325 1.1141 1.1141 1.1141 1.1141 4.9995 4.9995 4.9995 4.9995 5.6242 5.6242 5.6242 5.6242 7.7500 7.7500 7.7501 7.7501 7.7997 7.7997 7.7998 7.7998 9.0636 9.0636 9.0636 9.0636 9.4667 9.4667 9.4668 9.4668 10.1526 10.1526 10.1527 10.1527 10.8965 10.8965 10.8966 10.8966 12.4981 12.4981 12.4981 12.4981 k = 0.3909 0.2719 0.2408 ( 3264 PWs) bands (ev): -0.6919 -0.6919 -0.6918 -0.6918 1.0314 1.0314 1.0314 1.0314 5.0935 5.0935 5.0935 5.0935 5.7245 5.7245 5.7245 5.7245 7.7581 7.7581 7.7581 7.7581 7.7933 7.7933 7.7933 7.7933 9.0548 9.0548 9.0548 9.0548 9.4548 9.4548 9.4549 9.4549 10.1382 10.1382 10.1382 10.1382 10.8881 10.8881 10.8882 10.8882 12.4672 12.4672 12.4672 12.4672 k = 0.3818 0.2719 0.2408 ( 3272 PWs) bands (ev): -0.7535 -0.7535 -0.7535 -0.7535 0.9470 0.9470 0.9470 0.9470 5.1915 5.1915 5.1915 5.1915 5.8243 5.8243 5.8244 5.8244 7.7486 7.7486 7.7486 7.7486 7.8087 7.8087 7.8088 7.8088 9.0455 9.0455 9.0455 9.0455 9.4417 9.4417 9.4418 9.4418 10.1245 10.1245 10.1246 10.1246 10.8804 10.8804 10.8805 10.8805 12.4382 12.4382 12.4382 12.4382 k = 0.3727 0.2719 0.2408 ( 3268 PWs) bands (ev): -0.8170 -0.8170 -0.8169 -0.8169 0.8614 0.8614 0.8614 0.8614 5.2927 5.2927 5.2927 5.2927 5.9218 5.9218 5.9218 5.9218 7.7364 7.7364 7.7364 7.7364 7.8327 7.8327 7.8327 7.8327 9.0361 9.0361 9.0361 9.0361 9.4275 9.4275 9.4275 9.4275 10.1119 10.1119 10.1120 10.1120 10.8740 10.8740 10.8741 10.8741 12.4112 12.4112 12.4112 12.4112 k = 0.3636 0.2719 0.2408 ( 3264 PWs) bands (ev): -0.8819 -0.8819 -0.8818 -0.8818 0.7750 0.7750 0.7751 0.7751 5.3962 5.3962 5.3962 5.3962 6.0149 6.0149 6.0149 6.0149 7.7279 7.7279 7.7280 7.7280 7.8598 7.8598 7.8599 7.8599 9.0268 9.0268 9.0269 9.0269 9.4121 9.4121 9.4122 9.4122 10.1006 10.1006 10.1007 10.1007 10.8692 10.8692 10.8693 10.8693 12.3864 12.3864 12.3864 12.3864 k = 0.3545 0.2719 0.2408 ( 3252 PWs) bands (ev): -0.9478 -0.9478 -0.9478 -0.9478 0.6884 0.6884 0.6885 0.6885 5.5013 5.5013 5.5014 5.5014 6.1014 6.1014 6.1014 6.1014 7.7258 7.7258 7.7259 7.7259 7.8893 7.8893 7.8894 7.8894 9.0182 9.0182 9.0183 9.0183 9.3957 9.3957 9.3958 9.3958 10.0908 10.0908 10.0909 10.0909 10.8665 10.8665 10.8666 10.8666 12.3637 12.3637 12.3638 12.3638 k = 0.3455 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.0145 -1.0145 -1.0144 -1.0144 0.6019 0.6019 0.6019 0.6019 5.6072 5.6072 5.6072 5.6072 6.1792 6.1792 6.1792 6.1792 7.7318 7.7318 7.7319 7.7319 7.9207 7.9207 7.9207 7.9207 9.0107 9.0107 9.0107 9.0107 9.3782 9.3782 9.3783 9.3783 10.0826 10.0826 10.0827 10.0827 10.8663 10.8663 10.8664 10.8664 12.3433 12.3433 12.3433 12.3433 k = 0.3364 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.0816 -1.0816 -1.0815 -1.0815 0.5158 0.5158 0.5159 0.5159 5.7129 5.7129 5.7129 5.7129 6.2463 6.2463 6.2463 6.2463 7.7474 7.7474 7.7474 7.7474 7.9535 7.9535 7.9536 7.9536 9.0049 9.0049 9.0049 9.0049 9.3598 9.3598 9.3599 9.3599 10.0762 10.0762 10.0763 10.0763 10.8691 10.8691 10.8692 10.8692 12.3251 12.3251 12.3251 12.3251 k = 0.3273 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.1488 -1.1488 -1.1487 -1.1487 0.4304 0.4304 0.4305 0.4305 5.8176 5.8176 5.8177 5.8177 6.3011 6.3011 6.3011 6.3011 7.7736 7.7736 7.7736 7.7736 7.9876 7.9876 7.9877 7.9877 9.0016 9.0016 9.0017 9.0017 9.3406 9.3406 9.3407 9.3407 10.0716 10.0716 10.0717 10.0717 10.8755 10.8755 10.8756 10.8756 12.3092 12.3092 12.3093 12.3093 k = 0.3182 0.2719 0.2408 ( 3248 PWs) bands (ev): -1.2159 -1.2159 -1.2158 -1.2158 0.3460 0.3460 0.3460 0.3460 5.9206 5.9206 5.9206 5.9206 6.3426 6.3426 6.3427 6.3427 7.8106 7.8106 7.8107 7.8107 8.0225 8.0225 8.0226 8.0226 9.0018 9.0018 9.0018 9.0018 9.3207 9.3207 9.3208 9.3208 10.0688 10.0688 10.0689 10.0689 10.8860 10.8860 10.8861 10.8861 12.2958 12.2958 12.2958 12.2958 k = 0.3091 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.2826 -1.2826 -1.2826 -1.2826 0.2626 0.2626 0.2627 0.2627 6.0208 6.0208 6.0208 6.0208 6.3709 6.3709 6.3709 6.3709 7.8578 7.8578 7.8579 7.8579 8.0577 8.0577 8.0577 8.0577 9.0062 9.0062 9.0062 9.0062 9.3003 9.3003 9.3004 9.3004 10.0678 10.0678 10.0679 10.0679 10.9011 10.9011 10.9012 10.9012 12.2848 12.2848 12.2849 12.2849 k = 0.3000 0.2719 0.2408 ( 3260 PWs) bands (ev): -1.3488 -1.3488 -1.3488 -1.3488 0.1806 0.1806 0.1806 0.1806 6.1175 6.1175 6.1175 6.1175 6.3867 6.3867 6.3867 6.3867 7.9136 7.9136 7.9137 7.9137 8.0925 8.0925 8.0925 8.0925 9.0159 9.0159 9.0159 9.0159 9.2796 9.2796 9.2796 9.2796 10.0685 10.0685 10.0686 10.0686 10.9213 10.9213 10.9214 10.9214 12.2765 12.2765 12.2766 12.2766 k = 0.2909 0.2719 0.2408 ( 3268 PWs) bands (ev): -1.4142 -1.4142 -1.4142 -1.4142 0.1001 0.1001 0.1001 0.1001 6.2096 6.2096 6.2096 6.2096 6.3916 6.3916 6.3916 6.3916 7.9758 7.9758 7.9759 7.9759 8.1264 8.1264 8.1265 8.1265 9.0317 9.0317 9.0317 9.0317 9.2588 9.2588 9.2589 9.2589 10.0708 10.0708 10.0709 10.0709 10.9471 10.9471 10.9472 10.9472 12.2712 12.2712 12.2713 12.2713 k = 0.2818 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.4788 -1.4788 -1.4787 -1.4787 0.0212 0.0212 0.0212 0.0212 6.2953 6.2953 6.2953 6.2953 6.3885 6.3885 6.3885 6.3885 8.0417 8.0417 8.0417 8.0417 8.1592 8.1592 8.1592 8.1592 9.0544 9.0544 9.0544 9.0544 9.2384 9.2384 9.2384 9.2384 10.0747 10.0747 10.0748 10.0748 10.9788 10.9788 10.9789 10.9789 12.2691 12.2691 12.2692 12.2692 k = 0.2727 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.5422 -1.5422 -1.5422 -1.5422 -0.0559 -0.0559 -0.0559 -0.0559 6.3547 6.3547 6.3547 6.3547 6.3984 6.3984 6.3984 6.3984 8.1077 8.1077 8.1077 8.1077 8.1911 8.1911 8.1911 8.1911 9.0841 9.0841 9.0841 9.0841 9.2187 9.2187 9.2188 9.2188 10.0800 10.0800 10.0801 10.0801 11.0167 11.0167 11.0168 11.0168 12.2708 12.2708 12.2708 12.2708 k = 0.2636 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.6044 -1.6044 -1.6044 -1.6044 -0.1312 -0.1312 -0.1311 -0.1311 6.3463 6.3463 6.3463 6.3463 6.4639 6.4639 6.4639 6.4639 8.1685 8.1685 8.1686 8.1686 8.2248 8.2248 8.2248 8.2248 9.1197 9.1197 9.1197 9.1197 9.2013 9.2013 9.2014 9.2014 10.0865 10.0865 10.0866 10.0866 11.0606 11.0606 11.0607 11.0607 12.2767 12.2767 12.2768 12.2768 k = 0.2545 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.6654 -1.6654 -1.6653 -1.6653 -0.2045 -0.2045 -0.2044 -0.2044 6.3230 6.3230 6.3231 6.3231 6.5330 6.5330 6.5331 6.5331 8.2147 8.2147 8.2147 8.2147 8.2679 8.2679 8.2680 8.2680 9.1521 9.1521 9.1521 9.1521 9.1951 9.1951 9.1951 9.1951 10.0940 10.0940 10.0941 10.0941 11.1102 11.1102 11.1103 11.1103 12.2877 12.2877 12.2878 12.2878 k = 0.2455 0.2719 0.2408 ( 3248 PWs) bands (ev): -1.7248 -1.7248 -1.7248 -1.7248 -0.2757 -0.2757 -0.2757 -0.2757 6.2949 6.2949 6.2950 6.2950 6.5969 6.5969 6.5969 6.5969 8.2449 8.2449 8.2449 8.2449 8.3201 8.3201 8.3202 8.3202 9.1521 9.1521 9.1522 9.1522 9.2287 9.2287 9.2287 9.2287 10.1023 10.1023 10.1023 10.1023 11.1649 11.1649 11.1650 11.1650 12.3048 12.3048 12.3049 12.3049 k = 0.2364 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.7828 -1.7828 -1.7827 -1.7827 -0.3448 -0.3448 -0.3448 -0.3448 6.2637 6.2637 6.2637 6.2637 6.6546 6.6546 6.6547 6.6547 8.2681 8.2681 8.2682 8.2682 8.3715 8.3715 8.3715 8.3715 9.1393 9.1393 9.1394 9.1394 9.2815 9.2815 9.2815 9.2815 10.1109 10.1109 10.1110 10.1110 11.2234 11.2234 11.2235 11.2235 12.3293 12.3293 12.3294 12.3294 k = 0.2273 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.8390 -1.8390 -1.8390 -1.8390 -0.4118 -0.4118 -0.4117 -0.4117 6.2303 6.2303 6.2304 6.2304 6.7061 6.7061 6.7061 6.7061 8.2887 8.2887 8.2887 8.2887 8.4175 8.4175 8.4176 8.4176 9.1265 9.1265 9.1266 9.1266 9.3394 9.3394 9.3394 9.3394 10.1197 10.1197 10.1198 10.1198 11.2841 11.2841 11.2842 11.2842 12.3627 12.3627 12.3627 12.3627 k = 0.2182 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.8936 -1.8936 -1.8936 -1.8936 -0.4764 -0.4764 -0.4764 -0.4764 6.1956 6.1956 6.1956 6.1956 6.7513 6.7513 6.7513 6.7513 8.3082 8.3082 8.3083 8.3083 8.4566 8.4566 8.4567 8.4567 9.1154 9.1154 9.1154 9.1154 9.3991 9.3991 9.3991 9.3991 10.1282 10.1282 10.1283 10.1283 11.3451 11.3451 11.3452 11.3452 12.4065 12.4065 12.4066 12.4066 k = 0.2091 0.2719 0.2408 ( 3252 PWs) bands (ev): -1.9464 -1.9464 -1.9463 -1.9463 -0.5388 -0.5388 -0.5387 -0.5387 6.1600 6.1600 6.1600 6.1600 6.7905 6.7905 6.7905 6.7905 8.3278 8.3278 8.3279 8.3279 8.4880 8.4880 8.4880 8.4880 9.1064 9.1064 9.1065 9.1065 9.4585 9.4585 9.4585 9.4585 10.1359 10.1359 10.1360 10.1360 11.4040 11.4040 11.4041 11.4041 12.4625 12.4625 12.4626 12.4626 k = 0.2000 0.2719 0.2408 ( 3256 PWs) bands (ev): -1.9973 -1.9973 -1.9973 -1.9973 -0.5987 -0.5987 -0.5987 -0.5987 6.1241 6.1241 6.1241 6.1241 6.8239 6.8239 6.8239 6.8239 8.3482 8.3482 8.3482 8.3482 8.5117 8.5117 8.5117 8.5117 9.0998 9.0998 9.0999 9.0999 9.5157 9.5157 9.5157 9.5157 10.1425 10.1425 10.1426 10.1426 11.4588 11.4588 11.4589 11.4589 12.5318 12.5318 12.5318 12.5318 k = 0.1909 0.2719 0.2408 ( 3256 PWs) bands (ev): -2.0463 -2.0463 -2.0462 -2.0462 -0.6563 -0.6563 -0.6563 -0.6563 6.0882 6.0882 6.0882 6.0882 6.8519 6.8519 6.8519 6.8519 8.3698 8.3698 8.3698 8.3698 8.5282 8.5282 8.5283 8.5283 9.0954 9.0954 9.0955 9.0955 9.5692 9.5692 9.5693 9.5693 10.1475 10.1475 10.1476 10.1476 11.5080 11.5080 11.5081 11.5081 12.6147 12.6147 12.6147 12.6147 k = 0.1818 0.2719 0.2408 ( 3256 PWs) bands (ev): -2.0933 -2.0933 -2.0932 -2.0932 -0.7114 -0.7114 -0.7114 -0.7114 6.0527 6.0527 6.0527 6.0527 6.8750 6.8750 6.8750 6.8750 8.3929 8.3929 8.3930 8.3930 8.5384 8.5384 8.5385 8.5385 9.0929 9.0929 9.0930 9.0930 9.6178 9.6178 9.6178 9.6178 10.1505 10.1505 10.1506 10.1506 11.5507 11.5507 11.5507 11.5507 12.7099 12.7099 12.7100 12.7100 k = 0.1727 0.2719 0.2408 ( 3256 PWs) bands (ev): -2.1383 -2.1383 -2.1382 -2.1382 -0.7640 -0.7640 -0.7640 -0.7640 6.0177 6.0177 6.0178 6.0178 6.8935 6.8935 6.8935 6.8935 8.4178 8.4178 8.4179 8.4179 8.5432 8.5432 8.5433 8.5433 9.0920 9.0920 9.0921 9.0921 9.6603 9.6603 9.6603 9.6603 10.1515 10.1515 10.1515 10.1515 11.5865 11.5865 11.5866 11.5866 12.8137 12.8137 12.8138 12.8138 k = 0.1636 0.2719 0.2408 ( 3264 PWs) bands (ev): -2.1811 -2.1811 -2.1811 -2.1811 -0.8141 -0.8141 -0.8140 -0.8140 5.9837 5.9837 5.9837 5.9837 6.9080 6.9080 6.9080 6.9080 8.4442 8.4442 8.4443 8.4443 8.5439 8.5439 8.5440 8.5440 9.0920 9.0920 9.0921 9.0921 9.6959 9.6959 9.6959 9.6959 10.1504 10.1504 10.1504 10.1504 11.6161 11.6161 11.6161 11.6161 12.9204 12.9204 12.9204 12.9204 k = 0.1545 0.2719 0.2408 ( 3264 PWs) bands (ev): -2.2219 -2.2219 -2.2219 -2.2219 -0.8616 -0.8616 -0.8616 -0.8616 5.9506 5.9506 5.9507 5.9507 6.9188 6.9188 6.9189 6.9189 8.4716 8.4716 8.4717 8.4717 8.5421 8.5421 8.5422 8.5422 9.0928 9.0928 9.0929 9.0929 9.7241 9.7241 9.7241 9.7241 10.1477 10.1477 10.1478 10.1478 11.6400 11.6400 11.6401 11.6401 13.0308 13.0308 13.0309 13.0309 k = 0.1455 0.2719 0.2408 ( 3260 PWs) bands (ev): -2.2605 -2.2605 -2.2605 -2.2605 -0.9065 -0.9065 -0.9065 -0.9065 5.9189 5.9189 5.9189 5.9189 6.9266 6.9266 6.9267 6.9267 8.4965 8.4965 8.4966 8.4966 8.5421 8.5421 8.5422 8.5422 9.0940 9.0940 9.0940 9.0940 9.7442 9.7442 9.7442 9.7442 10.1443 10.1443 10.1443 10.1443 11.6592 11.6592 11.6593 11.6593 13.1502 13.1502 13.1502 13.1502 k = 0.1364 0.2719 0.2408 ( 3264 PWs) bands (ev): -2.2970 -2.2970 -2.2969 -2.2969 -0.9488 -0.9488 -0.9488 -0.9488 5.8884 5.8884 5.8884 5.8884 6.9318 6.9318 6.9318 6.9318 8.5075 8.5075 8.5076 8.5076 8.5562 8.5562 8.5563 8.5563 9.0951 9.0951 9.0952 9.0952 9.7556 9.7556 9.7557 9.7557 10.1407 10.1407 10.1408 10.1408 11.6745 11.6745 11.6746 11.6746 13.2802 13.2802 13.2802 13.2802 k = 0.1273 0.2719 0.2408 ( 3260 PWs) bands (ev): -2.3312 -2.3312 -2.3311 -2.3311 -0.9885 -0.9885 -0.9885 -0.9885 5.8595 5.8595 5.8595 5.8595 6.9347 6.9347 6.9348 6.9348 8.5035 8.5035 8.5036 8.5036 8.5859 8.5859 8.5859 8.5859 9.0963 9.0963 9.0963 9.0963 9.7583 9.7583 9.7583 9.7583 10.1381 10.1381 10.1381 10.1381 11.6867 11.6867 11.6868 11.6868 13.4204 13.4204 13.4204 13.4204 k = 0.1182 0.2719 0.2408 ( 3260 PWs) bands (ev): -2.3631 -2.3631 -2.3631 -2.3631 -1.0255 -1.0255 -1.0255 -1.0255 5.8321 5.8321 5.8322 5.8322 6.9359 6.9359 6.9359 6.9359 8.4946 8.4946 8.4947 8.4947 8.6215 8.6215 8.6216 8.6216 9.0972 9.0972 9.0973 9.0973 9.7521 9.7521 9.7522 9.7522 10.1369 10.1369 10.1370 10.1370 11.6964 11.6964 11.6965 11.6965 13.5694 13.5694 13.5694 13.5694 k = 0.1091 0.2719 0.2408 ( 3248 PWs) bands (ev): -2.3928 -2.3928 -2.3927 -2.3927 -1.0599 -1.0599 -1.0599 -1.0599 5.8065 5.8065 5.8065 5.8065 6.9356 6.9356 6.9356 6.9356 8.4841 8.4841 8.4842 8.4842 8.6600 8.6600 8.6601 8.6601 9.0979 9.0979 9.0980 9.0980 9.7376 9.7376 9.7377 9.7377 10.1377 10.1377 10.1378 10.1378 11.7041 11.7041 11.7042 11.7042 13.7253 13.7253 13.7254 13.7254 k = 0.1000 0.2719 0.2408 ( 3244 PWs) bands (ev): -2.4202 -2.4202 -2.4201 -2.4201 -1.0916 -1.0916 -1.0915 -1.0915 5.7826 5.7826 5.7827 5.7827 6.9343 6.9343 6.9343 6.9343 8.4732 8.4732 8.4733 8.4733 8.7006 8.7006 8.7006 8.7006 9.0984 9.0984 9.0985 9.0985 9.7157 9.7157 9.7157 9.7157 10.1402 10.1402 10.1403 10.1403 11.7102 11.7102 11.7102 11.7102 13.8859 13.8859 13.8859 13.8859 k = 0.0909 0.2719 0.2408 ( 3240 PWs) bands (ev): -2.4452 -2.4452 -2.4452 -2.4452 -1.1205 -1.1205 -1.1205 -1.1205 5.7606 5.7606 5.7607 5.7607 6.9321 6.9321 6.9321 6.9321 8.4624 8.4624 8.4625 8.4625 8.7428 8.7428 8.7428 8.7428 9.0987 9.0987 9.0988 9.0988 9.6873 9.6873 9.6873 9.6873 10.1440 10.1440 10.1441 10.1441 11.7149 11.7149 11.7150 11.7150 14.0479 14.0479 14.0479 14.0479 k = 0.0818 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.4679 -2.4679 -2.4679 -2.4679 -1.1467 -1.1467 -1.1467 -1.1467 5.7406 5.7406 5.7406 5.7406 6.9294 6.9294 6.9294 6.9294 8.4520 8.4520 8.4520 8.4520 8.7864 8.7864 8.7865 8.7865 9.0989 9.0989 9.0990 9.0990 9.6536 9.6536 9.6537 9.6537 10.1487 10.1487 10.1488 10.1488 11.7187 11.7187 11.7188 11.7188 14.2062 14.2062 14.2063 14.2063 k = 0.0727 0.2719 0.2408 ( 3236 PWs) bands (ev): -2.4883 -2.4883 -2.4883 -2.4883 -1.1703 -1.1703 -1.1702 -1.1702 5.7224 5.7224 5.7225 5.7225 6.9264 6.9264 6.9264 6.9264 8.4421 8.4421 8.4422 8.4422 8.8311 8.8311 8.8312 8.8312 9.0989 9.0989 9.0990 9.0990 9.6157 9.6157 9.6157 9.6157 10.1538 10.1538 10.1539 10.1539 11.7217 11.7217 11.7217 11.7217 14.3510 14.3510 14.3510 14.3510 k = 0.0636 0.2719 0.2408 ( 3244 PWs) bands (ev): -2.5063 -2.5063 -2.5063 -2.5063 -1.1910 -1.1910 -1.1910 -1.1910 5.7063 5.7063 5.7064 5.7064 6.9233 6.9233 6.9234 6.9234 8.4331 8.4331 8.4331 8.4331 8.8768 8.8768 8.8768 8.8768 9.0990 9.0990 9.0991 9.0991 9.5744 9.5744 9.5745 9.5745 10.1589 10.1589 10.1590 10.1590 11.7240 11.7240 11.7240 11.7240 14.4671 14.4671 14.4672 14.4672 k = 0.0545 0.2719 0.2408 ( 3248 PWs) bands (ev): -2.5219 -2.5219 -2.5219 -2.5219 -1.2090 -1.2090 -1.2090 -1.2090 5.6923 5.6923 5.6923 5.6923 6.9203 6.9203 6.9204 6.9204 8.4250 8.4250 8.4251 8.4251 8.9230 8.9230 8.9230 8.9230 9.0994 9.0994 9.0995 9.0995 9.5306 9.5306 9.5307 9.5307 10.1638 10.1638 10.1639 10.1639 11.7257 11.7257 11.7258 11.7258 14.5477 14.5477 14.5478 14.5478 k = 0.0455 0.2719 0.2408 ( 3244 PWs) bands (ev): -2.5352 -2.5352 -2.5351 -2.5351 -1.2243 -1.2243 -1.2243 -1.2243 5.6804 5.6804 5.6804 5.6804 6.9176 6.9176 6.9176 6.9176 8.4180 8.4180 8.4181 8.4181 8.9692 8.9692 8.9693 8.9693 9.1004 9.1004 9.1005 9.1005 9.4850 9.4850 9.4850 9.4850 10.1682 10.1682 10.1683 10.1683 11.7271 11.7271 11.7272 11.7272 14.5983 14.5983 14.5984 14.5984 k = 0.0364 0.2719 0.2408 ( 3244 PWs) bands (ev): -2.5460 -2.5460 -2.5460 -2.5460 -1.2368 -1.2368 -1.2367 -1.2367 5.6706 5.6706 5.6706 5.6706 6.9151 6.9151 6.9152 6.9152 8.4122 8.4122 8.4122 8.4122 9.0140 9.0140 9.0141 9.0141 9.1033 9.1033 9.1034 9.1034 9.4381 9.4381 9.4382 9.4382 10.1720 10.1720 10.1721 10.1721 11.7281 11.7281 11.7282 11.7282 14.6284 14.6284 14.6285 14.6285 k = 0.0273 0.2719 0.2408 ( 3240 PWs) bands (ev): -2.5545 -2.5545 -2.5544 -2.5544 -1.2465 -1.2465 -1.2465 -1.2465 5.6630 5.6630 5.6630 5.6630 6.9132 6.9132 6.9132 6.9132 8.4076 8.4076 8.4077 8.4077 9.0529 9.0529 9.0530 9.0530 9.1122 9.1122 9.1122 9.1122 9.3908 9.3908 9.3908 9.3908 10.1752 10.1752 10.1753 10.1753 11.7289 11.7289 11.7289 11.7289 14.6460 14.6460 14.6461 14.6461 k = 0.0182 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.5605 -2.5605 -2.5605 -2.5605 -1.2534 -1.2534 -1.2534 -1.2534 5.6575 5.6575 5.6575 5.6575 6.9117 6.9117 6.9117 6.9117 8.4043 8.4043 8.4043 8.4043 9.0750 9.0750 9.0751 9.0751 9.1369 9.1369 9.1369 9.1369 9.3442 9.3442 9.3443 9.3443 10.1774 10.1774 10.1776 10.1776 11.7294 11.7294 11.7294 11.7294 14.6560 14.6560 14.6561 14.6561 k = 0.0091 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.5641 -2.5641 -2.5641 -2.5641 -1.2576 -1.2576 -1.2576 -1.2576 5.6542 5.6542 5.6542 5.6542 6.9108 6.9108 6.9108 6.9108 8.4022 8.4022 8.4023 8.4023 9.0819 9.0819 9.0820 9.0820 9.1724 9.1724 9.1725 9.1725 9.3017 9.3017 9.3017 9.3017 10.1788 10.1788 10.1789 10.1789 11.7297 11.7297 11.7297 11.7297 14.6612 14.6612 14.6612 14.6612 k = 0.0000 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.5653 -2.5653 -2.5653 -2.5653 -1.2590 -1.2590 -1.2590 -1.2590 5.6531 5.6531 5.6531 5.6531 6.9105 6.9105 6.9105 6.9105 8.4016 8.4016 8.4017 8.4017 9.0834 9.0834 9.0835 9.0835 9.1934 9.1934 9.1935 9.1935 9.2791 9.2791 9.2792 9.2792 10.1793 10.1793 10.1794 10.1794 11.7298 11.7298 11.7298 11.7298 14.6628 14.6628 14.6628 14.6628 k = 0.0000 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.5653 -2.5653 -2.5653 -2.5653 -1.2590 -1.2590 -1.2590 -1.2590 5.6531 5.6531 5.6531 5.6531 6.9105 6.9105 6.9105 6.9105 8.4016 8.4016 8.4017 8.4017 9.0834 9.0834 9.0835 9.0835 9.1934 9.1934 9.1935 9.1935 9.2791 9.2791 9.2792 9.2792 10.1793 10.1793 10.1794 10.1794 11.7298 11.7298 11.7298 11.7298 14.6628 14.6628 14.6628 14.6628 k = 0.0000 0.2628 0.2408 ( 3226 PWs) bands (ev): -2.5683 -2.5683 -2.5682 -2.5682 -1.2544 -1.2544 -1.2544 -1.2544 5.6490 5.6490 5.6490 5.6490 6.9137 6.9137 6.9137 6.9137 8.3959 8.3959 8.3960 8.3960 9.0786 9.0786 9.0786 9.0786 9.1923 9.1923 9.1924 9.1924 9.2873 9.2873 9.2873 9.2873 10.1792 10.1792 10.1793 10.1793 11.7328 11.7328 11.7329 11.7329 14.6651 14.6651 14.6651 14.6651 k = 0.0000 0.2538 0.2408 ( 3228 PWs) bands (ev): -2.5770 -2.5770 -2.5769 -2.5769 -1.2409 -1.2409 -1.2408 -1.2408 5.6366 5.6366 5.6366 5.6366 6.9229 6.9229 6.9229 6.9229 8.3792 8.3792 8.3792 8.3792 9.0659 9.0659 9.0659 9.0659 9.1905 9.1905 9.1906 9.1906 9.3080 9.3080 9.3080 9.3080 10.1786 10.1786 10.1787 10.1787 11.7419 11.7419 11.7420 11.7420 14.6716 14.6716 14.6717 14.6717 k = 0.0000 0.2447 0.2408 ( 3224 PWs) bands (ev): -2.5910 -2.5910 -2.5910 -2.5910 -1.2188 -1.2188 -1.2187 -1.2187 5.6165 5.6165 5.6165 5.6165 6.9377 6.9377 6.9378 6.9378 8.3518 8.3518 8.3519 8.3519 9.0494 9.0494 9.0494 9.0494 9.1898 9.1898 9.1899 9.1899 9.3357 9.3357 9.3357 9.3357 10.1776 10.1776 10.1777 10.1777 11.7567 11.7567 11.7567 11.7567 14.6817 14.6817 14.6817 14.6817 k = 0.0000 0.2356 0.2408 ( 3228 PWs) bands (ev): -2.6098 -2.6098 -2.6097 -2.6097 -1.1887 -1.1887 -1.1887 -1.1887 5.5892 5.5892 5.5892 5.5892 6.9573 6.9573 6.9573 6.9573 8.3147 8.3147 8.3148 8.3148 9.0324 9.0324 9.0324 9.0324 9.1905 9.1905 9.1906 9.1906 9.3666 9.3666 9.3666 9.3666 10.1764 10.1764 10.1765 10.1765 11.7766 11.7766 11.7766 11.7766 14.6934 14.6934 14.6935 14.6935 k = 0.0000 0.2266 0.2408 ( 3226 PWs) bands (ev): -2.6325 -2.6325 -2.6325 -2.6325 -1.1516 -1.1516 -1.1515 -1.1515 5.5555 5.5555 5.5555 5.5555 6.9805 6.9805 6.9805 6.9805 8.2692 8.2692 8.2693 8.2693 9.0169 9.0169 9.0170 9.0170 9.1924 9.1924 9.1925 9.1925 9.3986 9.3986 9.3986 9.3986 10.1748 10.1748 10.1749 10.1749 11.8010 11.8010 11.8010 11.8010 14.7039 14.7039 14.7039 14.7039 k = 0.0000 0.2175 0.2408 ( 3230 PWs) bands (ev): -2.6586 -2.6586 -2.6585 -2.6585 -1.1081 -1.1081 -1.1081 -1.1081 5.5162 5.5162 5.5162 5.5162 7.0061 7.0061 7.0061 7.0061 8.2170 8.2170 8.2171 8.2171 9.0039 9.0039 9.0040 9.0040 9.1953 9.1953 9.1953 9.1953 9.4309 9.4309 9.4309 9.4309 10.1728 10.1728 10.1729 10.1729 11.8291 11.8291 11.8292 11.8292 14.7066 14.7066 14.7067 14.7067 k = 0.0000 0.2084 0.2408 ( 3226 PWs) bands (ev): -2.6871 -2.6871 -2.6871 -2.6871 -1.0592 -1.0592 -1.0592 -1.0592 5.4720 5.4720 5.4720 5.4720 7.0328 7.0328 7.0329 7.0329 8.1601 8.1601 8.1602 8.1602 8.9936 8.9936 8.9936 8.9936 9.1989 9.1989 9.1990 9.1990 9.4630 9.4630 9.4630 9.4630 10.1705 10.1705 10.1706 10.1706 11.8603 11.8603 11.8604 11.8604 14.6912 14.6912 14.6913 14.6913 k = 0.0000 0.1994 0.2408 ( 3228 PWs) bands (ev): -2.7175 -2.7175 -2.7174 -2.7174 -1.0057 -1.0057 -1.0057 -1.0057 5.4237 5.4237 5.4237 5.4237 7.0592 7.0592 7.0592 7.0592 8.1007 8.1007 8.1008 8.1008 8.9857 8.9857 8.9857 8.9857 9.2032 9.2032 9.2033 9.2033 9.4947 9.4947 9.4947 9.4947 10.1680 10.1680 10.1681 10.1681 11.8938 11.8938 11.8939 11.8939 14.6538 14.6538 14.6538 14.6538 k = 0.0000 0.1903 0.2408 ( 3230 PWs) bands (ev): -2.7490 -2.7490 -2.7490 -2.7490 -0.9484 -0.9484 -0.9483 -0.9483 5.3718 5.3718 5.3718 5.3718 7.0835 7.0835 7.0835 7.0835 8.0412 8.0412 8.0412 8.0412 8.9800 8.9800 8.9800 8.9800 9.2081 9.2081 9.2082 9.2082 9.5260 9.5260 9.5260 9.5260 10.1651 10.1651 10.1652 10.1652 11.9290 11.9290 11.9290 11.9290 14.6038 14.6038 14.6039 14.6039 k = 0.0000 0.1813 0.2408 ( 3228 PWs) bands (ev): -2.7812 -2.7812 -2.7811 -2.7811 -0.8878 -0.8878 -0.8878 -0.8878 5.3170 5.3170 5.3171 5.3171 7.1041 7.1041 7.1041 7.1041 7.9839 7.9839 7.9840 7.9840 8.9762 8.9762 8.9763 8.9763 9.2135 9.2135 9.2136 9.2136 9.5571 9.5571 9.5571 9.5571 10.1620 10.1620 10.1621 10.1621 11.9653 11.9653 11.9654 11.9654 14.5498 14.5498 14.5498 14.5498 k = 0.0000 0.1722 0.2408 ( 3228 PWs) bands (ev): -2.8135 -2.8135 -2.8135 -2.8135 -0.8248 -0.8248 -0.8248 -0.8248 5.2598 5.2598 5.2598 5.2598 7.1191 7.1191 7.1191 7.1191 7.9315 7.9315 7.9316 7.9316 8.9739 8.9739 8.9740 8.9740 9.2194 9.2194 9.2195 9.2195 9.5881 9.5881 9.5881 9.5881 10.1586 10.1586 10.1587 10.1587 12.0024 12.0024 12.0024 12.0024 14.4950 14.4950 14.4950 14.4950 k = 0.0000 0.1631 0.2408 ( 3228 PWs) bands (ev): -2.8457 -2.8457 -2.8456 -2.8456 -0.7599 -0.7599 -0.7598 -0.7598 5.2006 5.2006 5.2006 5.2006 7.1266 7.1266 7.1266 7.1266 7.8864 7.8864 7.8864 7.8864 8.9729 8.9729 8.9730 8.9730 9.2256 9.2256 9.2257 9.2257 9.6191 9.6191 9.6192 9.6192 10.1550 10.1550 10.1551 10.1551 12.0398 12.0398 12.0399 12.0399 14.4409 14.4409 14.4409 14.4409 k = 0.0000 0.1541 0.2408 ( 3232 PWs) bands (ev): -2.8773 -2.8773 -2.8772 -2.8772 -0.6936 -0.6936 -0.6936 -0.6936 5.1399 5.1399 5.1399 5.1399 7.1251 7.1251 7.1251 7.1251 7.8506 7.8506 7.8506 7.8506 8.9729 8.9729 8.9730 8.9730 9.2320 9.2320 9.2321 9.2321 9.6504 9.6504 9.6505 9.6505 10.1512 10.1512 10.1513 10.1513 12.0776 12.0776 12.0776 12.0776 14.3880 14.3880 14.3880 14.3880 k = 0.0000 0.1450 0.2408 ( 3230 PWs) bands (ev): -2.9080 -2.9080 -2.9080 -2.9080 -0.6266 -0.6266 -0.6266 -0.6266 5.0781 5.0781 5.0781 5.0781 7.1138 7.1138 7.1138 7.1138 7.8252 7.8252 7.8253 7.8253 8.9737 8.9737 8.9737 8.9737 9.2388 9.2388 9.2389 9.2389 9.6820 9.6820 9.6821 9.6821 10.1473 10.1473 10.1474 10.1474 12.1156 12.1156 12.1156 12.1156 14.3366 14.3366 14.3366 14.3366 k = 0.0000 0.1359 0.2408 ( 3230 PWs) bands (ev): -2.9378 -2.9378 -2.9377 -2.9377 -0.5594 -0.5594 -0.5593 -0.5593 5.0157 5.0157 5.0157 5.0157 7.0931 7.0931 7.0931 7.0931 7.8104 7.8104 7.8105 7.8105 8.9750 8.9750 8.9751 8.9751 9.2457 9.2457 9.2458 9.2458 9.7139 9.7139 9.7139 9.7139 10.1433 10.1433 10.1435 10.1435 12.1538 12.1538 12.1538 12.1538 14.2866 14.2866 14.2866 14.2866 k = 0.0000 0.1269 0.2408 ( 3232 PWs) bands (ev): -2.9662 -2.9662 -2.9662 -2.9662 -0.4925 -0.4925 -0.4924 -0.4924 4.9530 4.9530 4.9530 4.9530 7.0644 7.0644 7.0644 7.0644 7.8050 7.8050 7.8050 7.8050 8.9768 8.9768 8.9769 8.9769 9.2527 9.2527 9.2528 9.2528 9.7460 9.7460 9.7461 9.7461 10.1393 10.1393 10.1394 10.1394 12.1923 12.1923 12.1924 12.1924 14.2376 14.2376 14.2376 14.2376 k = 0.0000 0.1178 0.2408 ( 3228 PWs) bands (ev): -2.9932 -2.9932 -2.9932 -2.9932 -0.4264 -0.4264 -0.4264 -0.4264 4.8907 4.8907 4.8907 4.8907 7.0298 7.0298 7.0298 7.0298 7.8071 7.8071 7.8071 7.8071 8.9790 8.9790 8.9790 8.9790 9.2597 9.2597 9.2598 9.2598 9.7783 9.7783 9.7784 9.7784 10.1353 10.1353 10.1354 10.1354 12.2314 12.2314 12.2314 12.2314 14.1887 14.1887 14.1887 14.1887 k = 0.0000 0.1088 0.2408 ( 3230 PWs) bands (ev): -3.0187 -3.0187 -3.0187 -3.0187 -0.3618 -0.3618 -0.3618 -0.3618 4.8292 4.8292 4.8292 4.8292 6.9916 6.9916 6.9916 6.9916 7.8147 7.8147 7.8147 7.8147 8.9813 8.9813 8.9814 8.9814 9.2666 9.2666 9.2667 9.2667 9.8106 9.8106 9.8106 9.8106 10.1314 10.1314 10.1315 10.1315 12.2711 12.2711 12.2712 12.2712 14.1379 14.1379 14.1379 14.1379 k = 0.0000 0.0997 0.2408 ( 3232 PWs) bands (ev): -3.0425 -3.0425 -3.0424 -3.0424 -0.2992 -0.2992 -0.2992 -0.2992 4.7691 4.7691 4.7691 4.7691 6.9518 6.9518 6.9518 6.9518 7.8259 7.8259 7.8259 7.8259 8.9836 8.9836 8.9837 8.9837 9.2734 9.2734 9.2735 9.2735 9.8425 9.8425 9.8426 9.8426 10.1276 10.1276 10.1278 10.1278 12.3119 12.3119 12.3119 12.3119 14.0813 14.0813 14.0813 14.0813 k = 0.0000 0.0906 0.2408 ( 3228 PWs) bands (ev): -3.0645 -3.0645 -3.0644 -3.0644 -0.2391 -0.2391 -0.2391 -0.2391 4.7110 4.7110 4.7110 4.7110 6.9121 6.9121 6.9122 6.9122 7.8391 7.8391 7.8391 7.8391 8.9861 8.9861 8.9862 8.9862 9.2800 9.2800 9.2801 9.2801 9.8738 9.8738 9.8739 9.8739 10.1241 10.1241 10.1242 10.1242 12.3538 12.3538 12.3538 12.3538 14.0133 14.0133 14.0133 14.0133 k = 0.0000 0.0816 0.2408 ( 3230 PWs) bands (ev): -3.0846 -3.0846 -3.0845 -3.0845 -0.1823 -0.1823 -0.1822 -0.1822 4.6556 4.6556 4.6556 4.6556 6.8739 6.8739 6.8739 6.8739 7.8532 7.8532 7.8532 7.8532 8.9884 8.9884 8.9885 8.9885 9.2862 9.2862 9.2863 9.2863 9.9040 9.9040 9.9041 9.9041 10.1209 10.1209 10.1211 10.1211 12.3971 12.3971 12.3972 12.3972 13.9319 13.9319 13.9319 13.9319 k = 0.0000 0.0725 0.2408 ( 3230 PWs) bands (ev): -3.1027 -3.1027 -3.1027 -3.1027 -0.1292 -0.1292 -0.1291 -0.1291 4.6034 4.6034 4.6035 4.6035 6.8381 6.8381 6.8381 6.8381 7.8672 7.8672 7.8673 7.8673 8.9907 8.9907 8.9908 8.9908 9.2921 9.2921 9.2922 9.2922 9.9327 9.9327 9.9328 9.9328 10.1182 10.1182 10.1183 10.1183 12.4421 12.4421 12.4421 12.4421 13.8412 13.8412 13.8412 13.8412 k = 0.0000 0.0634 0.2408 ( 3230 PWs) bands (ev): -3.1189 -3.1189 -3.1189 -3.1189 -0.0805 -0.0805 -0.0804 -0.0804 4.5553 4.5553 4.5553 4.5553 6.8053 6.8053 6.8054 6.8054 7.8806 7.8806 7.8807 7.8807 8.9928 8.9928 8.9929 8.9929 9.2974 9.2974 9.2976 9.2976 9.9592 9.9592 9.9593 9.9593 10.1160 10.1160 10.1161 10.1161 12.4886 12.4886 12.4887 12.4887 13.7465 13.7465 13.7465 13.7465 k = 0.0000 0.0544 0.2408 ( 3234 PWs) bands (ev): -3.1330 -3.1330 -3.1329 -3.1329 -0.0367 -0.0367 -0.0367 -0.0367 4.5119 4.5119 4.5119 4.5119 6.7762 6.7762 6.7763 6.7763 7.8929 7.8929 7.8929 7.8929 8.9946 8.9946 8.9947 8.9947 9.3022 9.3022 9.3024 9.3024 9.9829 9.9829 9.9830 9.9830 10.1145 10.1145 10.1146 10.1146 12.5367 12.5367 12.5368 12.5368 13.6520 13.6520 13.6520 13.6520 k = 0.0000 0.0453 0.2408 ( 3230 PWs) bands (ev): -3.1450 -3.1450 -3.1449 -3.1449 0.0014 0.0014 0.0015 0.0015 4.4738 4.4738 4.4738 4.4738 6.7512 6.7512 6.7512 6.7512 7.9037 7.9037 7.9037 7.9037 8.9963 8.9963 8.9964 8.9964 9.3065 9.3065 9.3066 9.3066 10.0034 10.0034 10.0034 10.0034 10.1139 10.1139 10.1140 10.1140 12.5858 12.5858 12.5859 12.5859 13.5606 13.5606 13.5606 13.5606 k = 0.0000 0.0363 0.2408 ( 3222 PWs) bands (ev): -3.1548 -3.1548 -3.1548 -3.1548 0.0335 0.0335 0.0335 0.0335 4.4416 4.4416 4.4417 4.4417 6.7303 6.7303 6.7304 6.7304 7.9128 7.9128 7.9128 7.9128 8.9977 8.9977 8.9978 8.9978 9.3101 9.3101 9.3102 9.3102 10.0200 10.0200 10.0201 10.0201 10.1143 10.1143 10.1144 10.1144 12.6350 12.6350 12.6350 12.6350 13.4749 13.4749 13.4750 13.4750 k = 0.0000 0.0272 0.2408 ( 3222 PWs) bands (ev): -3.1625 -3.1625 -3.1625 -3.1625 0.0590 0.0590 0.0590 0.0590 4.4160 4.4160 4.4160 4.4160 6.7140 6.7140 6.7140 6.7140 7.9200 7.9200 7.9200 7.9200 8.9987 8.9987 8.9988 8.9988 9.3129 9.3129 9.3130 9.3130 10.0324 10.0324 10.0325 10.0325 10.1154 10.1154 10.1155 10.1155 12.6820 12.6820 12.6821 12.6821 13.3984 13.3984 13.3984 13.3984 k = 0.0000 0.0181 0.2408 ( 3216 PWs) bands (ev): -3.1680 -3.1680 -3.1680 -3.1680 0.0775 0.0775 0.0775 0.0775 4.3974 4.3974 4.3974 4.3974 6.7022 6.7022 6.7023 6.7023 7.9252 7.9252 7.9252 7.9252 8.9995 8.9995 8.9996 8.9996 9.3149 9.3149 9.3150 9.3150 10.0409 10.0409 10.0409 10.0409 10.1170 10.1170 10.1171 10.1171 12.7234 12.7234 12.7234 12.7234 13.3354 13.3354 13.3354 13.3354 k = 0.0000 0.0091 0.2408 ( 3220 PWs) bands (ev): -3.1713 -3.1713 -3.1713 -3.1713 0.0887 0.0887 0.0887 0.0887 4.3860 4.3860 4.3860 4.3860 6.6952 6.6952 6.6952 6.6952 7.9284 7.9284 7.9284 7.9284 9.0000 9.0000 9.0001 9.0001 9.3161 9.3161 9.3162 9.3162 10.0456 10.0456 10.0457 10.0457 10.1184 10.1184 10.1185 10.1185 12.7530 12.7530 12.7531 12.7531 13.2925 13.2925 13.2925 13.2925 k = 0.0000 0.0000 0.2408 ( 3220 PWs) bands (ev): -3.1724 -3.1724 -3.1724 -3.1724 0.0925 0.0925 0.0925 0.0925 4.3822 4.3822 4.3822 4.3822 6.6928 6.6928 6.6928 6.6928 7.9294 7.9294 7.9294 7.9294 9.0002 9.0002 9.0003 9.0003 9.3165 9.3165 9.3166 9.3166 10.0471 10.0471 10.0472 10.0472 10.1189 10.1189 10.1190 10.1190 12.7640 12.7640 12.7641 12.7641 13.2770 13.2770 13.2770 13.2770 k = 0.0000 0.2719-0.0000 ( 3262 PWs) bands (ev): -2.9360 -2.9360 -2.9360 -2.9360 -0.4124 -0.4124 -0.4124 -0.4124 3.9915 3.9915 3.9915 3.9915 7.7176 7.7176 7.7176 7.7176 8.0626 8.0626 8.0627 8.0627 9.1590 9.1590 9.1591 9.1591 9.2734 9.2734 9.2735 9.2735 9.7247 9.7247 9.7247 9.7247 10.1323 10.1323 10.1324 10.1324 13.5217 13.5217 13.5217 13.5217 13.9592 13.9592 13.9593 13.9593 k = 0.0000 0.2719 0.0089 ( 3258 PWs) bands (ev): -2.9351 -2.9351 -2.9351 -2.9351 -0.4153 -0.4153 -0.4153 -0.4153 3.9960 3.9960 3.9961 3.9961 7.7146 7.7146 7.7147 7.7147 8.0659 8.0659 8.0660 8.0660 9.1588 9.1588 9.1589 9.1589 9.2731 9.2731 9.2732 9.2732 9.7221 9.7221 9.7222 9.7222 10.1325 10.1325 10.1326 10.1326 13.5012 13.5012 13.5012 13.5012 13.9788 13.9788 13.9789 13.9789 k = 0.0000 0.2719 0.0178 ( 3250 PWs) bands (ev): -2.9324 -2.9324 -2.9323 -2.9323 -0.4239 -0.4239 -0.4239 -0.4239 4.0096 4.0096 4.0096 4.0096 7.7061 7.7061 7.7061 7.7061 8.0754 8.0754 8.0755 8.0755 9.1584 9.1584 9.1585 9.1585 9.2723 9.2723 9.2724 9.2724 9.7144 9.7144 9.7145 9.7145 10.1330 10.1330 10.1331 10.1331 13.4481 13.4481 13.4481 13.4481 14.0291 14.0291 14.0291 14.0291 k = 0.0000 0.2719 0.0268 ( 3250 PWs) bands (ev): -2.9278 -2.9278 -2.9278 -2.9278 -0.4381 -0.4381 -0.4380 -0.4380 4.0321 4.0321 4.0321 4.0321 7.6926 7.6926 7.6926 7.6926 8.0903 8.0903 8.0903 8.0903 9.1577 9.1577 9.1578 9.1578 9.2709 9.2709 9.2710 9.2710 9.7018 9.7018 9.7018 9.7018 10.1338 10.1338 10.1340 10.1340 13.3764 13.3764 13.3764 13.3764 14.0957 14.0957 14.0957 14.0957 k = 0.0000 0.2719 0.0357 ( 3250 PWs) bands (ev): -2.9214 -2.9214 -2.9214 -2.9214 -0.4576 -0.4576 -0.4575 -0.4575 4.0632 4.0632 4.0632 4.0632 7.6752 7.6752 7.6752 7.6752 8.1096 8.1096 8.1096 8.1096 9.1567 9.1567 9.1568 9.1568 9.2690 9.2690 9.2691 9.2691 9.6845 9.6845 9.6845 9.6845 10.1349 10.1349 10.1351 10.1351 13.2950 13.2950 13.2950 13.2950 14.1691 14.1691 14.1691 14.1691 k = 0.0000 0.2719 0.0446 ( 3254 PWs) bands (ev): -2.9133 -2.9133 -2.9133 -2.9133 -0.4820 -0.4820 -0.4820 -0.4820 4.1025 4.1025 4.1025 4.1025 7.6547 7.6547 7.6547 7.6547 8.1321 8.1321 8.1322 8.1322 9.1553 9.1553 9.1554 9.1554 9.2664 9.2664 9.2665 9.2665 9.6629 9.6629 9.6629 9.6629 10.1363 10.1363 10.1365 10.1365 13.2084 13.2084 13.2084 13.2084 14.2438 14.2438 14.2438 14.2438 k = 0.0000 0.2719 0.0535 ( 3252 PWs) bands (ev): -2.9034 -2.9034 -2.9034 -2.9034 -0.5111 -0.5111 -0.5111 -0.5111 4.1497 4.1497 4.1497 4.1497 7.6317 7.6317 7.6317 7.6317 8.1572 8.1572 8.1573 8.1573 9.1536 9.1536 9.1537 9.1537 9.2631 9.2631 9.2632 9.2632 9.6376 9.6376 9.6376 9.6376 10.1381 10.1381 10.1382 10.1382 13.1191 13.1191 13.1191 13.1191 14.3164 14.3164 14.3164 14.3164 k = 0.0000 0.2719 0.0624 ( 3250 PWs) bands (ev): -2.8919 -2.8919 -2.8919 -2.8919 -0.5444 -0.5444 -0.5444 -0.5444 4.2042 4.2042 4.2042 4.2042 7.6068 7.6068 7.6068 7.6068 8.1841 8.1841 8.1841 8.1841 9.1514 9.1514 9.1515 9.1515 9.2590 9.2590 9.2591 9.2591 9.6092 9.6092 9.6093 9.6093 10.1400 10.1400 10.1402 10.1402 13.0282 13.0282 13.0282 13.0282 14.3845 14.3845 14.3845 14.3845 k = 0.0000 0.2719 0.0714 ( 3250 PWs) bands (ev): -2.8787 -2.8787 -2.8787 -2.8787 -0.5813 -0.5813 -0.5813 -0.5813 4.2655 4.2655 4.2655 4.2655 7.5802 7.5802 7.5802 7.5802 8.2120 8.2120 8.2121 8.2121 9.1488 9.1488 9.1489 9.1489 9.2541 9.2541 9.2542 9.2542 9.5786 9.5786 9.5787 9.5787 10.1422 10.1422 10.1423 10.1423 12.9366 12.9366 12.9366 12.9366 14.4460 14.4460 14.4460 14.4460 k = 0.0000 0.2719 0.0803 ( 3250 PWs) bands (ev): -2.8641 -2.8641 -2.8640 -2.8640 -0.6214 -0.6214 -0.6214 -0.6214 4.3330 4.3330 4.3330 4.3330 7.5520 7.5520 7.5520 7.5520 8.2405 8.2405 8.2406 8.2406 9.1455 9.1455 9.1456 9.1456 9.2482 9.2482 9.2482 9.2482 9.5466 9.5466 9.5467 9.5467 10.1445 10.1445 10.1447 10.1447 12.8447 12.8447 12.8448 12.8448 14.4996 14.4996 14.4996 14.4996 k = 0.0000 0.2719 0.0892 ( 3256 PWs) bands (ev): -2.8480 -2.8480 -2.8479 -2.8479 -0.6642 -0.6642 -0.6641 -0.6641 4.4061 4.4061 4.4061 4.4061 7.5224 7.5224 7.5224 7.5224 8.2690 8.2690 8.2691 8.2691 9.1414 9.1414 9.1415 9.1415 9.2412 9.2412 9.2413 9.2413 9.5143 9.5143 9.5143 9.5143 10.1470 10.1470 10.1471 10.1471 12.7531 12.7531 12.7532 12.7532 14.5448 14.5448 14.5449 14.5449 k = 0.0000 0.2719 0.0981 ( 3246 PWs) bands (ev): -2.8305 -2.8305 -2.8305 -2.8305 -0.7090 -0.7090 -0.7090 -0.7090 4.4841 4.4841 4.4841 4.4841 7.4912 7.4912 7.4912 7.4912 8.2971 8.2971 8.2971 8.2971 9.1364 9.1364 9.1365 9.1365 9.2332 9.2332 9.2333 9.2333 9.4828 9.4828 9.4828 9.4828 10.1497 10.1497 10.1498 10.1498 12.6621 12.6621 12.6622 12.6622 14.5824 14.5824 14.5824 14.5824 k = 0.0000 0.2719 0.1070 ( 3248 PWs) bands (ev): -2.8119 -2.8119 -2.8119 -2.8119 -0.7553 -0.7553 -0.7553 -0.7553 4.5663 4.5663 4.5663 4.5663 7.4585 7.4585 7.4585 7.4585 8.3240 8.3240 8.3240 8.3240 9.1300 9.1300 9.1301 9.1301 9.2245 9.2245 9.2245 9.2245 9.4532 9.4532 9.4532 9.4532 10.1524 10.1524 10.1525 10.1525 12.5722 12.5722 12.5722 12.5722 14.6135 14.6135 14.6135 14.6135 k = 0.0000 0.2719 0.1160 ( 3256 PWs) bands (ev): -2.7922 -2.7922 -2.7922 -2.7922 -0.8027 -0.8027 -0.8027 -0.8027 4.6522 4.6522 4.6522 4.6522 7.4241 7.4241 7.4241 7.4241 8.3492 8.3492 8.3492 8.3492 9.1220 9.1220 9.1221 9.1221 9.2153 9.2153 9.2154 9.2154 9.4263 9.4263 9.4264 9.4264 10.1550 10.1550 10.1551 10.1551 12.4836 12.4836 12.4837 12.4837 14.6392 14.6392 14.6392 14.6392 k = 0.0000 0.2719 0.1249 ( 3254 PWs) bands (ev): -2.7717 -2.7717 -2.7716 -2.7716 -0.8505 -0.8505 -0.8505 -0.8505 4.7409 4.7409 4.7409 4.7409 7.3878 7.3878 7.3879 7.3879 8.3720 8.3720 8.3721 8.3721 9.1124 9.1124 9.1125 9.1125 9.2065 9.2065 9.2066 9.2066 9.4029 9.4029 9.4029 9.4029 10.1577 10.1577 10.1578 10.1578 12.3970 12.3970 12.3971 12.3971 14.6600 14.6600 14.6601 14.6601 k = 0.0000 0.2719 0.1338 ( 3258 PWs) bands (ev): -2.7505 -2.7505 -2.7504 -2.7504 -0.8982 -0.8982 -0.8982 -0.8982 4.8317 4.8317 4.8317 4.8317 7.3497 7.3497 7.3497 7.3497 8.3918 8.3918 8.3918 8.3918 9.1015 9.1015 9.1015 9.1015 9.1986 9.1986 9.1987 9.1987 9.3828 9.3828 9.3829 9.3829 10.1604 10.1604 10.1605 10.1605 12.3128 12.3128 12.3129 12.3129 14.6759 14.6759 14.6759 14.6759 k = 0.0000 0.2719 0.1427 ( 3254 PWs) bands (ev): -2.7289 -2.7289 -2.7288 -2.7288 -0.9453 -0.9453 -0.9453 -0.9453 4.9239 4.9239 4.9239 4.9239 7.3096 7.3096 7.3096 7.3096 8.4079 8.4079 8.4079 8.4079 9.0903 9.0903 9.0903 9.0903 9.1922 9.1922 9.1923 9.1923 9.3660 9.3660 9.3660 9.3660 10.1630 10.1630 10.1631 10.1631 12.2317 12.2317 12.2318 12.2318 14.6867 14.6867 14.6867 14.6867 k = 0.0000 0.2719 0.1516 ( 3250 PWs) bands (ev): -2.7071 -2.7071 -2.7071 -2.7071 -0.9912 -0.9912 -0.9912 -0.9912 5.0165 5.0165 5.0165 5.0165 7.2675 7.2675 7.2676 7.2676 8.4198 8.4198 8.4198 8.4198 9.0801 9.0801 9.0801 9.0801 9.1873 9.1873 9.1874 9.1874 9.3518 9.3518 9.3519 9.3519 10.1655 10.1655 10.1656 10.1656 12.1543 12.1543 12.1543 12.1543 14.6925 14.6925 14.6925 14.6925 k = 0.0000 0.2719 0.1606 ( 3250 PWs) bands (ev): -2.6855 -2.6855 -2.6855 -2.6855 -1.0354 -1.0354 -1.0354 -1.0354 5.1086 5.1086 5.1086 5.1086 7.2237 7.2237 7.2237 7.2237 8.4272 8.4272 8.4273 8.4273 9.0721 9.0721 9.0721 9.0721 9.1838 9.1838 9.1839 9.1839 9.3397 9.3397 9.3397 9.3397 10.1679 10.1679 10.1680 10.1680 12.0811 12.0811 12.0812 12.0812 14.6941 14.6941 14.6941 14.6941 k = 0.0000 0.2719 0.1695 ( 3254 PWs) bands (ev): -2.6644 -2.6644 -2.6644 -2.6644 -1.0772 -1.0772 -1.0772 -1.0772 5.1990 5.1990 5.1990 5.1990 7.1784 7.1784 7.1784 7.1784 8.4305 8.4305 8.4305 8.4305 9.0670 9.0670 9.0671 9.0671 9.1816 9.1816 9.1817 9.1817 9.3291 9.3291 9.3291 9.3291 10.1701 10.1701 10.1702 10.1702 12.0130 12.0130 12.0131 12.0131 14.6924 14.6924 14.6925 14.6925 k = 0.0000 0.2719 0.1784 ( 3242 PWs) bands (ev): -2.6443 -2.6443 -2.6442 -2.6442 -1.1161 -1.1161 -1.1161 -1.1161 5.2866 5.2866 5.2866 5.2866 7.1323 7.1323 7.1323 7.1323 8.4300 8.4300 8.4301 8.4301 9.0652 9.0652 9.0653 9.0653 9.1807 9.1807 9.1808 9.1808 9.3197 9.3197 9.3197 9.3197 10.1722 10.1722 10.1723 10.1723 11.9507 11.9507 11.9507 11.9507 14.6887 14.6887 14.6887 14.6887 k = 0.0000 0.2719 0.1873 ( 3242 PWs) bands (ev): -2.6254 -2.6254 -2.6254 -2.6254 -1.1515 -1.1515 -1.1514 -1.1514 5.3697 5.3697 5.3697 5.3697 7.0862 7.0862 7.0863 7.0863 8.4267 8.4267 8.4268 8.4268 9.0662 9.0662 9.0663 9.0663 9.1809 9.1809 9.1810 9.1810 9.3110 9.3110 9.3111 9.3111 10.1740 10.1740 10.1741 10.1741 11.8947 11.8947 11.8948 11.8948 14.6837 14.6837 14.6837 14.6837 k = 0.0000 0.2719 0.1962 ( 3238 PWs) bands (ev): -2.6084 -2.6084 -2.6084 -2.6084 -1.1827 -1.1827 -1.1827 -1.1827 5.4465 5.4465 5.4465 5.4465 7.0416 7.0416 7.0416 7.0416 8.4216 8.4216 8.4217 8.4217 9.0692 9.0692 9.0692 9.0692 9.1822 9.1822 9.1823 9.1823 9.3031 9.3031 9.3031 9.3031 10.1756 10.1756 10.1757 10.1757 11.8460 11.8460 11.8461 11.8461 14.6784 14.6784 14.6784 14.6784 k = 0.0000 0.2719 0.2051 ( 3238 PWs) bands (ev): -2.5937 -2.5937 -2.5936 -2.5936 -1.2093 -1.2093 -1.2093 -1.2093 5.5149 5.5149 5.5149 5.5149 7.0000 7.0000 7.0000 7.0000 8.4157 8.4157 8.4158 8.4158 9.0732 9.0732 9.0732 9.0732 9.1844 9.1844 9.1845 9.1845 9.2958 9.2958 9.2958 9.2958 10.1768 10.1768 10.1770 10.1770 11.8050 11.8050 11.8051 11.8051 14.6733 14.6733 14.6733 14.6733 k = 0.0000 0.2719 0.2141 ( 3230 PWs) bands (ev): -2.5816 -2.5816 -2.5816 -2.5816 -1.2306 -1.2306 -1.2306 -1.2306 5.5723 5.5723 5.5723 5.5723 6.9637 6.9637 6.9637 6.9637 8.4102 8.4102 8.4102 8.4102 9.0773 9.0773 9.0773 9.0773 9.1874 9.1874 9.1875 9.1875 9.2893 9.2893 9.2893 9.2893 10.1779 10.1779 10.1780 10.1780 11.7725 11.7725 11.7726 11.7726 14.6689 14.6689 14.6690 14.6690 k = 0.0000 0.2719 0.2230 ( 3238 PWs) bands (ev): -2.5727 -2.5727 -2.5727 -2.5727 -1.2463 -1.2463 -1.2462 -1.2462 5.6161 5.6161 5.6161 5.6161 6.9352 6.9352 6.9352 6.9352 8.4056 8.4056 8.4056 8.4056 9.0805 9.0805 9.0806 9.0806 9.1903 9.1903 9.1904 9.1904 9.2840 9.2840 9.2840 9.2840 10.1786 10.1786 10.1787 10.1787 11.7489 11.7489 11.7489 11.7489 14.6656 14.6656 14.6656 14.6656 k = 0.0000 0.2719 0.2319 ( 3234 PWs) bands (ev): -2.5672 -2.5672 -2.5672 -2.5672 -1.2558 -1.2558 -1.2558 -1.2558 5.6437 5.6437 5.6437 5.6437 6.9168 6.9168 6.9169 6.9169 8.4026 8.4026 8.4027 8.4027 9.0827 9.0827 9.0828 9.0828 9.1926 9.1926 9.1927 9.1927 9.2804 9.2804 9.2804 9.2804 10.1791 10.1791 10.1792 10.1792 11.7346 11.7346 11.7346 11.7346 14.6635 14.6635 14.6635 14.6635 k = 0.0000 0.2719 0.2408 ( 3232 PWs) bands (ev): -2.5653 -2.5653 -2.5653 -2.5653 -1.2590 -1.2590 -1.2590 -1.2590 5.6531 5.6531 5.6531 5.6531 6.9105 6.9105 6.9105 6.9105 8.4016 8.4016 8.4017 8.4017 9.0834 9.0834 9.0835 9.0835 9.1934 9.1934 9.1935 9.1935 9.2791 9.2791 9.2792 9.2792 10.1793 10.1793 10.1794 10.1794 11.7298 11.7298 11.7298 11.7298 14.6628 14.6628 14.6628 14.6628 k = 0.5000-0.0000 0.2408 ( 3268 PWs) bands (ev): -0.3157 -0.3157 -0.3145 -0.3145 1.4517 1.4517 1.4618 1.4618 4.2859 4.2859 4.3242 4.3242 6.9416 6.9416 6.9901 6.9901 7.0335 7.0335 7.0739 7.0739 7.7681 7.7681 7.8012 7.8012 8.9377 8.9377 8.9390 8.9390 9.3714 9.3714 9.3791 9.3791 9.9256 9.9256 9.9567 9.9567 10.8820 10.8820 10.9069 10.9069 11.2348 11.2348 11.2691 11.2691 k = 0.5000-0.0000 0.2319 ( 3268 PWs) bands (ev): -0.3166 -0.3166 -0.3154 -0.3154 1.4533 1.4533 1.4633 1.4633 4.2868 4.2868 4.3250 4.3250 6.9288 6.9288 6.9663 6.9663 7.0567 7.0567 7.0863 7.0863 7.7681 7.7681 7.8010 7.8010 8.9375 8.9375 8.9391 8.9391 9.3707 9.3707 9.3777 9.3777 9.9206 9.9206 9.9512 9.9512 10.8835 10.8835 10.9074 10.9074 11.2405 11.2405 11.2739 11.2739 k = 0.5000-0.0000 0.2230 ( 3260 PWs) bands (ev): -0.3193 -0.3193 -0.3181 -0.3181 1.4579 1.4579 1.4679 1.4679 4.2892 4.2892 4.3272 4.3272 6.8989 6.8989 6.9286 6.9286 7.0929 7.0929 7.1150 7.1150 7.7681 7.7681 7.8004 7.8004 8.9370 8.9370 8.9396 8.9396 9.3687 9.3687 9.3733 9.3733 9.9067 9.9067 9.9355 9.9355 10.8875 10.8875 10.9089 10.9089 11.2574 11.2574 11.2880 11.2880 k = 0.5000-0.0000 0.2141 ( 3260 PWs) bands (ev): -0.3237 -0.3237 -0.3225 -0.3225 1.4654 1.4654 1.4754 1.4754 4.2933 4.2933 4.3310 4.3310 6.8619 6.8619 6.8887 6.8887 7.1301 7.1301 7.1501 7.1501 7.7681 7.7681 7.7994 7.7994 8.9357 8.9357 8.9399 8.9399 9.3647 9.3647 9.3653 9.3653 9.8859 9.8859 9.9119 9.9119 10.8932 10.8932 10.9108 10.9108 11.2845 11.2845 11.3108 11.3108 k = 0.5000-0.0000 0.2051 ( 3268 PWs) bands (ev): -0.3298 -0.3298 -0.3286 -0.3286 1.4758 1.4758 1.4857 1.4857 4.2991 4.2991 4.3362 4.3362 6.8218 6.8218 6.8479 6.8479 7.1670 7.1670 7.1873 7.1873 7.7681 7.7681 7.7981 7.7981 8.9332 8.9332 8.9396 8.9396 9.3531 9.3531 9.3584 9.3584 9.8613 9.8613 9.8835 9.8835 10.8995 10.8995 10.9128 10.9128 11.3201 11.3201 11.3415 11.3415 k = 0.5000-0.0000 0.1962 ( 3264 PWs) bands (ev): -0.3373 -0.3373 -0.3361 -0.3361 1.4888 1.4888 1.4986 1.4986 4.3065 4.3065 4.3430 4.3430 6.7802 6.7802 6.8066 6.8066 7.2034 7.2034 7.2254 7.2254 7.7681 7.7681 7.7964 7.7964 8.9286 8.9286 8.9381 8.9381 9.3363 9.3363 9.3491 9.3491 9.8366 9.8366 9.8539 9.8539 10.9054 10.9054 10.9147 10.9147 11.3626 11.3626 11.3787 11.3787 k = 0.5000-0.0000 0.1873 ( 3260 PWs) bands (ev): -0.3461 -0.3461 -0.3450 -0.3450 1.5043 1.5043 1.5139 1.5139 4.3156 4.3156 4.3513 4.3513 6.7377 6.7377 6.7649 6.7649 7.2391 7.2391 7.2634 7.2634 7.7682 7.7682 7.7943 7.7943 8.9209 8.9209 8.9340 8.9340 9.3148 9.3148 9.3366 9.3366 9.8149 9.8149 9.8266 9.8266 10.9106 10.9106 10.9162 10.9162 11.4101 11.4101 11.4211 11.4211 k = 0.5000-0.0000 0.1784 ( 3260 PWs) bands (ev): -0.3562 -0.3562 -0.3550 -0.3550 1.5218 1.5218 1.5313 1.5313 4.3263 4.3263 4.3612 4.3612 6.6947 6.6947 6.7228 6.7228 7.2740 7.2740 7.3012 7.3012 7.7682 7.7682 7.7920 7.7920 8.9086 8.9086 8.9257 8.9257 9.2899 9.2899 9.3212 9.3212 9.7985 9.7985 9.8044 9.8044 10.9148 10.9148 10.9173 10.9173 11.4610 11.4610 11.4671 11.4671 k = 0.5000-0.0000 0.1695 ( 3268 PWs) bands (ev): -0.3671 -0.3671 -0.3660 -0.3660 1.5412 1.5412 1.5505 1.5505 4.3387 4.3387 4.3726 4.3726 6.6513 6.6513 6.6804 6.6804 7.3081 7.3081 7.3383 7.3383 7.7682 7.7682 7.7893 7.7893 8.8899 8.8899 8.9106 8.9106 9.2643 9.2643 9.3043 9.3043 9.7884 9.7884 9.7889 9.7889 10.9180 10.9180 10.9181 10.9181 11.5138 11.5138 11.5155 11.5155 k = 0.5000-0.0000 0.1606 ( 3268 PWs) bands (ev): -0.3789 -0.3789 -0.3778 -0.3778 1.5622 1.5622 1.5712 1.5712 4.3528 4.3528 4.3855 4.3855 6.6078 6.6078 6.6377 6.6377 7.3412 7.3412 7.3749 7.3749 7.7683 7.7683 7.7864 7.7864 8.8632 8.8632 8.8866 8.8866 9.2419 9.2419 9.2884 9.2884 9.7808 9.7808 9.7846 9.7846 10.9185 10.9185 10.9204 10.9204 11.5651 11.5651 11.5676 11.5676 k = 0.5000-0.0000 0.1516 ( 3252 PWs) bands (ev): -0.3912 -0.3912 -0.3902 -0.3902 1.5844 1.5844 1.5931 1.5931 4.3685 4.3685 4.3999 4.3999 6.5642 6.5642 6.5949 6.5949 7.3734 7.3734 7.4106 7.4106 7.7683 7.7683 7.7833 7.7833 8.8277 8.8277 8.8519 8.8519 9.2256 9.2256 9.2757 9.2757 9.7795 9.7795 9.7866 9.7866 10.9189 10.9189 10.9221 10.9221 11.6153 11.6153 11.6215 11.6215 k = 0.5000-0.0000 0.1427 ( 3258 PWs) bands (ev): -0.4039 -0.4039 -0.4029 -0.4029 1.6074 1.6074 1.6158 1.6158 4.3858 4.3858 4.4158 4.4158 6.5206 6.5206 6.5519 6.5519 7.4045 7.4045 7.4455 7.4455 7.7684 7.7684 7.7799 7.7799 8.7834 8.7834 8.8068 8.8068 9.2168 9.2168 9.2676 9.2676 9.7839 9.7839 9.7932 9.7932 10.9189 10.9189 10.9230 10.9230 11.6652 11.6652 11.6747 11.6747 k = 0.5000-0.0000 0.1338 ( 3254 PWs) bands (ev): -0.4168 -0.4168 -0.4158 -0.4158 1.6310 1.6310 1.6391 1.6391 4.4046 4.4046 4.4330 4.4330 6.4772 6.4772 6.5088 6.5088 7.4347 7.4347 7.4795 7.4795 7.7686 7.7686 7.7764 7.7764 8.7317 8.7317 8.7534 8.7534 9.2152 9.2152 9.2645 9.2645 9.7931 9.7931 9.8036 9.8036 10.9187 10.9187 10.9234 10.9234 11.7145 11.7145 11.7270 11.7270 k = 0.5000-0.0000 0.1249 ( 3250 PWs) bands (ev): -0.4297 -0.4297 -0.4288 -0.4288 1.6548 1.6548 1.6625 1.6625 4.4248 4.4248 4.4516 4.4516 6.4341 6.4341 6.4658 6.4658 7.4638 7.4638 7.5127 7.5127 7.7689 7.7689 7.7727 7.7727 8.6744 8.6744 8.6941 8.6941 9.2193 9.2193 9.2659 9.2659 9.8058 9.8058 9.8167 9.8167 10.9185 10.9185 10.9234 10.9234 11.7629 11.7629 11.7780 11.7780 k = 0.5000-0.0000 0.1160 ( 3246 PWs) bands (ev): -0.4424 -0.4424 -0.4415 -0.4415 1.6785 1.6785 1.6858 1.6858 4.4463 4.4463 4.4714 4.4714 6.3915 6.3915 6.4229 6.4229 7.4918 7.4918 7.5448 7.5448 7.7689 7.7689 7.7693 7.7693 8.6133 8.6133 8.6315 8.6315 9.2277 9.2277 9.2711 9.2711 9.8211 9.8211 9.8320 9.8320 10.9182 10.9182 10.9231 10.9231 11.8101 11.8101 11.8275 11.8275 k = 0.5000-0.0000 0.1070 ( 3234 PWs) bands (ev): -0.4547 -0.4547 -0.4539 -0.4539 1.7017 1.7017 1.7087 1.7087 4.4689 4.4689 4.4923 4.4923 6.3494 6.3494 6.3803 6.3803 7.5187 7.5187 7.5761 7.5761 7.7650 7.7650 7.7700 7.7700 8.5504 8.5504 8.5675 8.5675 9.2392 9.2392 9.2792 9.2792 9.8382 9.8382 9.8485 9.8485 10.9179 10.9179 10.9226 10.9226 11.8562 11.8562 11.8755 11.8755 k = 0.5000-0.0000 0.0981 ( 3238 PWs) bands (ev): -0.4666 -0.4666 -0.4659 -0.4659 1.7243 1.7243 1.7308 1.7308 4.4925 4.4925 4.5139 4.5139 6.3083 6.3083 6.3383 6.3383 7.5445 7.5445 7.6064 7.6064 7.7611 7.7611 7.7711 7.7711 8.4871 8.4871 8.5037 8.5037 9.2527 9.2527 9.2891 9.2891 9.8561 9.8561 9.8656 9.8656 10.9175 10.9175 10.9218 10.9218 11.9010 11.9010 11.9218 11.9218 k = 0.5000-0.0000 0.0892 ( 3226 PWs) bands (ev): -0.4779 -0.4779 -0.4772 -0.4772 1.7459 1.7459 1.7519 1.7519 4.5166 4.5166 4.5361 4.5361 6.2683 6.2683 6.2971 6.2971 7.5691 7.5691 7.6358 7.6358 7.7572 7.7572 7.7728 7.7728 8.4246 8.4246 8.4412 8.4412 9.2674 9.2674 9.3005 9.3005 9.8745 9.8745 9.8830 9.8830 10.9172 10.9172 10.9210 10.9210 11.9446 11.9446 11.9665 11.9665 k = 0.5000-0.0000 0.0803 ( 3222 PWs) bands (ev): -0.4884 -0.4884 -0.4878 -0.4878 1.7663 1.7663 1.7718 1.7718 4.5409 4.5409 4.5585 4.5585 6.2298 6.2298 6.2571 6.2571 7.5924 7.5924 7.6641 7.6641 7.7536 7.7536 7.7752 7.7752 8.3637 8.3637 8.3808 8.3808 9.2828 9.2828 9.3124 9.3124 9.8926 9.8926 9.9001 9.9001 10.9169 10.9169 10.9202 10.9202 11.9869 11.9869 12.0094 12.0094 k = 0.5000-0.0000 0.0714 ( 3228 PWs) bands (ev): -0.4981 -0.4981 -0.4975 -0.4975 1.7851 1.7851 1.7901 1.7901 4.5651 4.5651 4.5806 4.5806 6.1932 6.1932 6.2187 6.2187 7.6142 7.6142 7.6910 7.6910 7.7506 7.7506 7.7787 7.7787 8.3053 8.3053 8.3231 8.3231 9.2981 9.2981 9.3244 9.3244 9.9100 9.9100 9.9164 9.9164 10.9165 10.9165 10.9193 10.9193 12.0277 12.0277 12.0504 12.0504 k = 0.5000-0.0000 0.0624 ( 3230 PWs) bands (ev): -0.5069 -0.5069 -0.5064 -0.5064 1.8023 1.8023 1.8067 1.8067 4.5887 4.5887 4.6022 4.6022 6.1591 6.1591 6.1824 6.1824 7.6342 7.6342 7.7149 7.7149 7.7500 7.7500 7.7838 7.7838 8.2500 8.2500 8.2686 8.2686 9.3131 9.3131 9.3361 9.3361 9.9264 9.9264 9.9317 9.9317 10.9163 10.9163 10.9185 10.9185 12.0670 12.0670 12.0894 12.0894 k = 0.5000-0.0000 0.0535 ( 3230 PWs) bands (ev): -0.5146 -0.5146 -0.5142 -0.5142 1.8177 1.8177 1.8215 1.8215 4.6110 4.6110 4.6225 4.6225 6.1280 6.1280 6.1487 6.1487 7.6520 7.6520 7.7285 7.7285 7.7592 7.7592 7.7910 7.7910 8.1982 8.1982 8.2176 8.2176 9.3273 9.3273 9.3470 9.3470 9.9413 9.9413 9.9455 9.9455 10.9161 10.9161 10.9178 10.9178 12.1044 12.1044 12.1260 12.1260 k = 0.5000-0.0000 0.0446 ( 3234 PWs) bands (ev): -0.5213 -0.5213 -0.5209 -0.5209 1.8310 1.8310 1.8342 1.8342 4.6316 4.6316 4.6410 4.6410 6.1005 6.1005 6.1183 6.1183 7.6675 7.6675 7.7297 7.7297 7.7802 7.7802 7.8006 7.8006 8.1504 8.1504 8.1704 8.1704 9.3402 9.3402 9.3566 9.3566 9.9543 9.9543 9.9576 9.9576 10.9159 10.9159 10.9172 10.9172 12.1395 12.1395 12.1596 12.1596 k = 0.5000-0.0000 0.0357 ( 3246 PWs) bands (ev): -0.5268 -0.5268 -0.5265 -0.5265 1.8421 1.8421 1.8447 1.8447 4.6497 4.6497 4.6572 4.6572 6.0771 6.0771 6.0918 6.0918 7.6803 7.6803 7.7271 7.7271 7.8039 7.8039 7.8129 7.8129 8.1073 8.1073 8.1273 8.1273 9.3515 9.3515 9.3646 9.3646 9.9654 9.9654 9.9678 9.9678 10.9158 10.9158 10.9167 10.9167 12.1716 12.1716 12.1894 12.1894 k = 0.5000-0.0000 0.0268 ( 3246 PWs) bands (ev): -0.5312 -0.5312 -0.5309 -0.5309 1.8509 1.8509 1.8529 1.8529 4.6648 4.6648 4.6704 4.6704 6.0587 6.0587 6.0699 6.0699 7.6906 7.6906 7.7236 7.7236 7.8270 7.8270 7.8275 7.8275 8.0698 8.0698 8.0887 8.0887 9.3610 9.3610 9.3709 9.3709 9.9742 9.9742 9.9759 9.9759 10.9157 10.9157 10.9163 10.9163 12.1997 12.1997 12.2143 12.2143 k = 0.5000-0.0000 0.0178 ( 3244 PWs) bands (ev): -0.5343 -0.5343 -0.5341 -0.5341 1.8574 1.8574 1.8587 1.8587 4.6763 4.6763 4.6800 4.6800 6.0456 6.0456 6.0531 6.0531 7.6988 7.6988 7.7198 7.7198 7.8431 7.8431 7.8473 7.8473 8.0398 8.0398 8.0558 8.0558 9.3684 9.3684 9.3750 9.3750 9.9807 9.9807 9.9818 9.9818 10.9157 10.9157 10.9161 10.9161 12.2223 12.2223 12.2328 12.2328 k = 0.5000-0.0000 0.0089 ( 3244 PWs) bands (ev): -0.5361 -0.5361 -0.5361 -0.5361 1.8614 1.8614 1.8621 1.8621 4.6838 4.6838 4.6856 4.6856 6.0383 6.0383 6.0421 6.0421 7.7054 7.7054 7.7155 7.7155 7.8571 7.8571 7.8613 7.8613 8.0209 8.0209 8.0307 8.0307 9.3736 9.3736 9.3769 9.3769 9.9847 9.9847 9.9853 9.9853 10.9157 10.9157 10.9159 10.9159 12.2380 12.2380 12.2435 12.2435 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5368 -0.5368 -0.5367 -0.5367 1.8630 1.8630 1.8630 1.8630 4.6869 4.6869 4.6869 4.6869 6.0371 6.0371 6.0371 6.0371 7.7108 7.7108 7.7108 7.7108 7.8647 7.8647 7.8647 7.8647 8.0176 8.0176 8.0176 8.0176 9.3765 9.3765 9.3765 9.3765 9.9862 9.9862 9.9863 9.9863 10.9157 10.9157 10.9158 10.9158 12.2453 12.2453 12.2454 12.2454 k = 0.5000 0.2719-0.0000 ( 3252 PWs) bands (ev): -0.4223 -0.4223 -0.4196 -0.4196 1.7396 1.7396 1.7454 1.7454 5.1713 5.1713 5.2076 5.2076 5.4224 5.4224 5.4426 5.4426 7.1294 7.1294 7.2034 7.2034 7.4294 7.4294 7.4461 7.4461 8.1642 8.1642 8.2624 8.2624 9.3896 9.3896 9.4338 9.4338 9.8604 9.8604 9.8905 9.8905 11.1900 11.1900 11.1971 11.1971 12.1023 12.1023 12.1222 12.1222 k = 0.5000 0.2719 0.0089 ( 3256 PWs) bands (ev): -0.4219 -0.4219 -0.4191 -0.4191 1.7394 1.7394 1.7452 1.7452 5.1662 5.1662 5.2025 5.2025 5.4216 5.4216 5.4414 5.4414 7.1354 7.1354 7.2089 7.2089 7.4308 7.4308 7.4473 7.4473 8.1645 8.1645 8.2623 8.2623 9.3910 9.3910 9.4349 9.4349 9.8615 9.8615 9.8915 9.8915 11.1896 11.1896 11.1968 11.1968 12.1031 12.1031 12.1229 12.1229 k = 0.5000 0.2719 0.0178 ( 3252 PWs) bands (ev): -0.4204 -0.4204 -0.4177 -0.4177 1.7390 1.7390 1.7447 1.7447 5.1512 5.1512 5.1874 5.1874 5.4191 5.4191 5.4379 5.4379 7.1531 7.1531 7.2250 7.2250 7.4351 7.4351 7.4510 7.4510 8.1653 8.1653 8.2619 8.2619 9.3953 9.3953 9.4382 9.4382 9.8650 9.8650 9.8943 9.8943 11.1884 11.1884 11.1959 11.1959 12.1055 12.1055 12.1251 12.1251 k = 0.5000 0.2719 0.0268 ( 3248 PWs) bands (ev): -0.4181 -0.4181 -0.4154 -0.4154 1.7382 1.7382 1.7438 1.7438 5.1276 5.1276 5.1634 5.1634 5.4144 5.4144 5.4315 5.4315 7.1815 7.1815 7.2505 7.2505 7.4430 7.4430 7.4575 7.4575 8.1665 8.1665 8.2613 8.2613 9.4023 9.4023 9.4435 9.4435 9.8709 9.8709 9.8990 9.8990 11.1866 11.1866 11.1944 11.1944 12.1097 12.1097 12.1288 12.1288 k = 0.5000 0.2719 0.0357 ( 3248 PWs) bands (ev): -0.4148 -0.4148 -0.4121 -0.4121 1.7371 1.7371 1.7427 1.7427 5.0969 5.0969 5.1322 5.1322 5.4068 5.4068 5.4220 5.4220 7.2186 7.2186 7.2830 7.2830 7.4559 7.4559 7.4677 7.4677 8.1682 8.1682 8.2604 8.2604 9.4117 9.4117 9.4507 9.4507 9.8790 9.8790 9.9055 9.9055 11.1839 11.1839 11.1924 11.1924 12.1157 12.1157 12.1342 12.1342 k = 0.5000 0.2719 0.0446 ( 3256 PWs) bands (ev): -0.4107 -0.4107 -0.4080 -0.4080 1.7357 1.7357 1.7411 1.7411 5.0606 5.0606 5.0952 5.0952 5.3960 5.3960 5.4090 5.4090 7.2618 7.2618 7.3186 7.3186 7.4767 7.4767 7.4829 7.4829 8.1703 8.1703 8.2593 8.2593 9.4231 9.4231 9.4594 9.4594 9.8894 9.8894 9.9139 9.9139 11.1805 11.1805 11.1897 11.1897 12.1237 12.1237 12.1414 12.1414 k = 0.5000 0.2719 0.0535 ( 3252 PWs) bands (ev): -0.4057 -0.4057 -0.4031 -0.4031 1.7340 1.7340 1.7393 1.7393 5.0202 5.0202 5.0539 5.0539 5.3819 5.3819 5.3926 5.3926 7.3069 7.3069 7.3519 7.3519 7.5059 7.5059 7.5093 7.5093 8.1729 8.1729 8.2581 8.2581 9.4364 9.4364 9.4696 9.4696 9.9023 9.9023 9.9243 9.9243 11.1763 11.1763 11.1864 11.1864 12.1339 12.1339 12.1506 12.1506 k = 0.5000 0.2719 0.0624 ( 3248 PWs) bands (ev): -0.4000 -0.4000 -0.3974 -0.3974 1.7319 1.7319 1.7370 1.7370 4.9771 4.9771 5.0098 5.0098 5.3645 5.3645 5.3729 5.3729 7.3488 7.3488 7.3791 7.3791 7.5401 7.5401 7.5560 7.5560 8.1760 8.1760 8.2570 8.2570 9.4509 9.4509 9.4806 9.4806 9.9176 9.9176 9.9366 9.9366 11.1712 11.1712 11.1824 11.1824 12.1466 12.1466 12.1621 12.1621 k = 0.5000 0.2719 0.0714 ( 3248 PWs) bands (ev): -0.3935 -0.3935 -0.3910 -0.3910 1.7295 1.7295 1.7344 1.7344 4.9322 4.9322 4.9638 4.9638 5.3440 5.3440 5.3504 5.3504 7.3832 7.3832 7.4002 7.4002 7.5880 7.5880 7.6154 7.6154 8.1799 8.1799 8.2563 8.2563 9.4662 9.4662 9.4922 9.4922 9.9352 9.9352 9.9508 9.9508 11.1652 11.1652 11.1776 11.1776 12.1619 12.1619 12.1760 12.1760 k = 0.5000 0.2719 0.0803 ( 3248 PWs) bands (ev): -0.3864 -0.3864 -0.3839 -0.3839 1.7267 1.7267 1.7315 1.7315 4.8867 4.8867 4.9171 4.9171 5.3210 5.3210 5.3253 5.3253 7.4100 7.4100 7.4174 7.4174 7.6479 7.6479 7.6834 7.6834 8.1854 8.1854 8.2567 8.2567 9.4817 9.4817 9.5040 9.5040 9.9549 9.9549 9.9669 9.9669 11.1584 11.1584 11.1721 11.1721 12.1801 12.1801 12.1926 12.1926 k = 0.5000 0.2719 0.0892 ( 3252 PWs) bands (ev): -0.3787 -0.3787 -0.3763 -0.3763 1.7237 1.7237 1.7282 1.7282 4.8413 4.8413 4.8705 4.8705 5.2957 5.2957 5.2982 5.2982 7.4313 7.4313 7.4325 7.4325 7.7152 7.7152 7.7557 7.7557 8.1934 8.1934 8.2592 8.2592 9.4970 9.4970 9.5157 9.5157 9.9765 9.9765 9.9846 9.9846 11.1505 11.1505 11.1656 11.1656 12.2016 12.2016 12.2123 12.2123 k = 0.5000 0.2719 0.0981 ( 3264 PWs) bands (ev): -0.3706 -0.3706 -0.3683 -0.3683 1.7203 1.7203 1.7245 1.7245 4.7967 4.7967 4.8246 4.8246 5.2686 5.2686 5.2695 5.2695 7.4467 7.4467 7.4494 7.4494 7.7844 7.7844 7.8283 7.8283 8.2059 8.2059 8.2659 8.2659 9.5116 9.5116 9.5268 9.5268 9.9998 9.9998 10.0037 10.0037 11.1417 11.1417 11.1583 11.1583 12.2265 12.2265 12.2351 12.2351 k = 0.5000 0.2719 0.1070 ( 3272 PWs) bands (ev): -0.3620 -0.3620 -0.3598 -0.3598 1.7166 1.7166 1.7206 1.7206 4.7535 4.7535 4.7801 4.7801 5.2397 5.2397 5.2402 5.2402 7.4607 7.4607 7.4660 7.4660 7.8498 7.8498 7.8964 7.8964 8.2262 8.2262 8.2798 8.2798 9.5253 9.5253 9.5372 9.5372 10.0239 10.0239 10.0242 10.0242 11.1318 11.1318 11.1499 11.1499 12.2551 12.2551 12.2615 12.2615 k = 0.5000 0.2719 0.1160 ( 3272 PWs) bands (ev): -0.3532 -0.3532 -0.3511 -0.3511 1.7126 1.7126 1.7164 1.7164 4.7121 4.7121 4.7374 4.7374 5.2093 5.2093 5.2110 5.2110 7.4748 7.4748 7.4818 7.4818 7.9056 7.9056 7.9542 7.9542 8.2582 8.2582 8.3055 8.3055 9.5376 9.5376 9.5467 9.5467 10.0451 10.0451 10.0496 10.0496 11.1210 11.1210 11.1405 11.1405 12.2874 12.2874 12.2914 12.2914 k = 0.5000 0.2719 0.1249 ( 3264 PWs) bands (ev): -0.3442 -0.3442 -0.3422 -0.3422 1.7084 1.7084 1.7119 1.7119 4.6730 4.6730 4.6969 4.6969 5.1787 5.1787 5.1814 5.1814 7.4891 7.4891 7.4974 7.4974 7.9471 7.9471 7.9966 7.9966 8.3054 8.3054 8.3472 8.3472 9.5484 9.5484 9.5552 9.5552 10.0667 10.0667 10.0753 10.0753 11.1091 11.1091 11.1301 11.1301 12.3235 12.3235 12.3249 12.3249 k = 0.5000 0.2719 0.1338 ( 3268 PWs) bands (ev): -0.3352 -0.3352 -0.3333 -0.3333 1.7040 1.7040 1.7072 1.7072 4.6364 4.6364 4.6589 4.6589 5.1483 5.1483 5.1518 5.1518 7.5036 7.5036 7.5128 7.5128 7.9734 7.9734 8.0223 8.0223 8.3674 8.3674 8.4053 8.4053 9.5572 9.5572 9.5621 9.5621 10.0884 10.0884 10.1008 10.1008 11.0962 11.0962 11.1185 11.1185 12.3621 12.3621 12.3632 12.3632 k = 0.5000 0.2719 0.1427 ( 3272 PWs) bands (ev): -0.3262 -0.3262 -0.3244 -0.3244 1.6995 1.6995 1.7025 1.7025 4.6026 4.6026 4.6236 4.6236 5.1186 5.1186 5.1227 5.1227 7.5183 7.5183 7.5281 7.5281 7.9876 7.9876 8.0342 8.0342 8.4404 8.4404 8.4758 8.4758 9.5640 9.5640 9.5675 9.5675 10.1098 10.1098 10.1258 10.1258 11.0823 11.0823 11.1057 11.1057 12.4026 12.4026 12.4062 12.4063 k = 0.5000 0.2719 0.1516 ( 3276 PWs) bands (ev): -0.3174 -0.3174 -0.3158 -0.3158 1.6950 1.6950 1.6976 1.6976 4.5718 4.5718 4.5913 4.5913 5.0899 5.0899 5.0945 5.0945 7.5331 7.5331 7.5433 7.5433 7.9932 7.9932 8.0368 8.0368 8.5200 8.5200 8.5536 8.5536 9.5687 9.5687 9.5713 9.5713 10.1307 10.1307 10.1497 10.1497 11.0677 11.0677 11.0919 11.0919 12.4460 12.4460 12.4522 12.4522 k = 0.5000 0.2719 0.1606 ( 3280 PWs) bands (ev): -0.3090 -0.3090 -0.3075 -0.3075 1.6905 1.6905 1.6928 1.6928 4.5440 4.5440 4.5620 4.5620 5.0627 5.0627 5.0675 5.0675 7.5479 7.5479 7.5584 7.5584 7.9933 7.9933 8.0334 8.0334 8.6023 8.6023 8.6344 8.6344 9.5710 9.5710 9.5732 9.5732 10.1507 10.1507 10.1722 10.1722 11.0524 11.0524 11.0771 11.0771 12.4919 12.4919 12.5003 12.5003 k = 0.5000 0.2719 0.1695 ( 3288 PWs) bands (ev): -0.3010 -0.3010 -0.2996 -0.2996 1.6861 1.6861 1.6882 1.6882 4.5194 4.5194 4.5357 4.5357 5.0373 5.0373 5.0422 5.0422 7.5626 7.5626 7.5731 7.5731 7.9900 7.9900 8.0264 8.0264 8.6845 8.6845 8.7153 8.7153 9.5710 9.5710 9.5731 9.5731 10.1697 10.1697 10.1930 10.1930 11.0369 11.0369 11.0616 11.0616 12.5393 12.5393 12.5497 12.5497 k = 0.5000 0.2719 0.1784 ( 3292 PWs) bands (ev): -0.2936 -0.2936 -0.2924 -0.2924 1.6819 1.6819 1.6838 1.6838 4.4980 4.4980 4.5125 4.5125 5.0141 5.0141 5.0188 5.0188 7.5770 7.5770 7.5873 7.5873 7.9846 7.9846 8.0173 8.0173 8.7646 8.7646 8.7938 8.7938 9.5686 9.5686 9.5710 9.5710 10.1875 10.1875 10.2117 10.2117 11.0215 11.0215 11.0456 11.0456 12.5873 12.5873 12.5990 12.5990 k = 0.5000 0.2719 0.1873 ( 3288 PWs) bands (ev): -0.2869 -0.2869 -0.2858 -0.2858 1.6781 1.6781 1.6797 1.6797 4.4797 4.4797 4.4924 4.4924 4.9933 4.9933 4.9978 4.9978 7.5908 7.5908 7.6006 7.6006 7.9782 7.9782 8.0070 8.0070 8.8408 8.8408 8.8680 8.8680 9.5639 9.5639 9.5668 9.5668 10.2040 10.2040 10.2280 10.2280 11.0066 11.0066 11.0295 11.0295 12.6344 12.6344 12.6470 12.6470 k = 0.5000 0.2719 0.1962 ( 3284 PWs) bands (ev): -0.2810 -0.2810 -0.2801 -0.2801 1.6747 1.6747 1.6760 1.6760 4.4646 4.4646 4.4754 4.4754 4.9753 4.9753 4.9793 4.9793 7.6037 7.6037 7.6127 7.6127 7.9716 7.9716 7.9963 7.9963 8.9113 8.9113 8.9362 8.9362 9.5571 9.5571 9.5607 9.5607 10.2191 10.2191 10.2418 10.2418 10.9929 10.9929 11.0139 11.0139 12.6791 12.6791 12.6917 12.6917 k = 0.5000 0.2719 0.2051 ( 3288 PWs) bands (ev): -0.2760 -0.2760 -0.2753 -0.2753 1.6718 1.6718 1.6728 1.6728 4.4526 4.4526 4.4613 4.4613 4.9602 4.9602 4.9636 4.9636 7.6153 7.6153 7.6232 7.6232 7.9656 7.9656 7.9858 7.9858 8.9744 8.9744 8.9962 8.9962 9.5488 9.5488 9.5528 9.5528 10.2325 10.2325 10.2526 10.2526 10.9810 10.9810 10.9992 10.9992 12.7197 12.7197 12.7313 12.7313 k = 0.5000 0.2719 0.2141 ( 3288 PWs) bands (ev): -0.2720 -0.2720 -0.2714 -0.2714 1.6695 1.6695 1.6702 1.6702 4.4436 4.4436 4.4502 4.4502 4.9484 4.9484 4.9511 4.9511 7.6253 7.6253 7.6317 7.6317 7.9607 7.9607 7.9763 7.9763 9.0282 9.0282 9.0461 9.0461 9.5399 9.5399 9.5439 9.5439 10.2441 10.2441 10.2605 10.2605 10.9716 10.9716 10.9861 10.9861 12.7543 12.7543 12.7641 12.7641 k = 0.5000 0.2719 0.2230 ( 3280 PWs) bands (ev): -0.2690 -0.2690 -0.2687 -0.2687 1.6678 1.6678 1.6683 1.6683 4.4375 4.4375 4.4420 4.4420 4.9400 4.9400 4.9419 4.9419 7.6332 7.6332 7.6378 7.6378 7.9576 7.9576 7.9682 7.9682 9.0705 9.0705 9.0834 9.0834 9.5319 9.5319 9.5353 9.5353 10.2536 10.2536 10.2653 10.2653 10.9652 10.9652 10.9754 10.9754 12.7812 12.7812 12.7883 12.7883 k = 0.5000 0.2719 0.2319 ( 3272 PWs) bands (ev): -0.2672 -0.2672 -0.2670 -0.2670 1.6668 1.6668 1.6671 1.6671 4.4343 4.4343 4.4366 4.4366 4.9351 4.9351 4.9361 4.9361 7.6387 7.6387 7.6411 7.6411 7.9567 7.9567 7.9621 7.9621 9.0988 9.0988 9.1057 9.1057 9.5266 9.5266 9.5286 9.5286 10.2608 10.2608 10.2668 10.2668 10.9623 10.9623 10.9675 10.9675 12.7988 12.7988 12.8025 12.8025 k = 0.5000 0.2719 0.2408 ( 3280 PWs) bands (ev): -0.2666 -0.2666 -0.2665 -0.2665 1.6665 1.6665 1.6666 1.6666 4.4340 4.4340 4.4341 4.4341 4.9338 4.9338 4.9338 4.9338 7.6413 7.6413 7.6414 7.6414 7.9581 7.9581 7.9581 7.9581 9.1109 9.1109 9.1110 9.1110 9.5252 9.5252 9.5253 9.5253 10.2652 10.2652 10.2653 10.2653 10.9630 10.9630 10.9631 10.9631 12.8061 12.8061 12.8061 12.8061 Writing output data file FeAs2.save init_run : 0.26s CPU 0.41s WALL ( 1 calls) electrons : 141.21s CPU 144.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 141.21s CPU 144.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 460 calls) cegterg : 127.82s CPU 129.87s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 68.17s CPU 69.35s WALL ( 8902 calls) s_psi : 3.75s CPU 4.15s WALL ( 8902 calls) g_psi : 0.24s CPU 0.22s WALL ( 7904 calls) cdiaghg : 52.56s CPU 53.41s WALL ( 8364 calls) cegterg:over : 5.20s CPU 5.21s WALL ( 7904 calls) cegterg:upda : 4.20s CPU 4.15s WALL ( 7904 calls) cegterg:last : 2.26s CPU 2.27s WALL ( 1504 calls) cdiaghg:chol : 2.98s CPU 2.94s WALL ( 8364 calls) cdiaghg:inve : 1.88s CPU 1.80s WALL ( 8364 calls) cdiaghg:para : 3.10s CPU 3.13s WALL ( 16728 calls) Called by h_psi: h_psi:vloc : 57.54s CPU 58.92s WALL ( 8902 calls) h_psi:vnl : 10.40s CPU 10.22s WALL ( 8902 calls) add_vuspsi : 5.03s CPU 5.01s WALL ( 8902 calls) General routines calbec : 5.34s CPU 5.19s WALL ( 8902 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 54.46s CPU 55.74s WALL ( 924104 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 920 calls) Parallel routines fft_scatter : 22.70s CPU 23.21s WALL ( 924127 calls) PWSCF : 2m37.52s CPU 3m13.89s WALL This run was terminated on: 19:48:45 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=