Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:42:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 24 7 1194 804 135 Max 33 25 8 1199 819 142 Sum 1027 793 243 38277 26009 4409 bravais-lattice index = 14 lattice parameter (alat) = 5.4466 a.u. unit-cell volume = 617.2093 (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)= 5.446568 celldm(2)= 1.839324 celldm(3)= 2.076851 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 1.839324 0.000000 ) a(3) = ( 0.000000 0.000000 2.076851 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.543678 -0.000000 ) b(3) = ( 0.000000 0.000000 0.481498 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /home/autes/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 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 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 0.0090613 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.0181226 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.0271839 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.0362452 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.0453065 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.0543678 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.0634291 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.0724904 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.0815517 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.0906130 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.0996743 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.1087356 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.1177969 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.1268582 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.1359195 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.1449808 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.1540421 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.1631034 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.1721647 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.1812260 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.1902873 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.1993486 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.2084099 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.2174712 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.2265325 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.2355938 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.2446551 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.2537164 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.2627777 -0.0000000), wk = 0.0021739 k( 87) = ( 0.5000000 0.2718390 -0.0000000), wk = 0.0021739 k( 88) = ( 0.5000000 0.2718390 -0.0000000), wk = 0.0021739 k( 89) = ( 0.4909091 0.2718390 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4818182 0.2718390 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4727273 0.2718390 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4636364 0.2718390 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4545455 0.2718390 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4454546 0.2718390 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4363636 0.2718390 -0.0000000), wk = 0.0021739 k( 96) = ( 0.4272727 0.2718390 -0.0000000), wk = 0.0021739 k( 97) = ( 0.4181818 0.2718390 -0.0000000), wk = 0.0021739 k( 98) = ( 0.4090909 0.2718390 -0.0000000), wk = 0.0021739 k( 99) = ( 0.4000000 0.2718390 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3909091 0.2718390 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3818182 0.2718390 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3727273 0.2718390 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3636364 0.2718390 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3545454 0.2718390 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3454546 0.2718390 -0.0000000), wk = 0.0021739 k( 106) = ( 0.3363636 0.2718390 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3272727 0.2718390 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3181818 0.2718390 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3090909 0.2718390 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3000000 0.2718390 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2909091 0.2718390 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2818182 0.2718390 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2727273 0.2718390 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2636364 0.2718390 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2545455 0.2718390 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2454545 0.2718390 -0.0000000), wk = 0.0021739 k( 117) = ( 0.2363636 0.2718390 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2272727 0.2718390 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2181818 0.2718390 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2090909 0.2718390 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2000000 0.2718390 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1909091 0.2718390 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1818182 0.2718390 -0.0000000), wk = 0.0021739 k( 124) = ( 0.1727273 0.2718390 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1636364 0.2718390 -0.0000000), wk = 0.0021739 k( 126) = ( 0.1545455 0.2718390 -0.0000000), wk = 0.0021739 k( 127) = ( 0.1454545 0.2718390 -0.0000000), wk = 0.0021739 k( 128) = ( 0.1363636 0.2718390 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1272727 0.2718390 -0.0000000), wk = 0.0021739 k( 130) = ( 0.1181818 0.2718390 -0.0000000), wk = 0.0021739 k( 131) = ( 0.1090909 0.2718390 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1000000 0.2718390 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0909091 0.2718390 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0818182 0.2718390 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0727273 0.2718390 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0636364 0.2718390 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0545455 0.2718390 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0454546 0.2718390 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0363636 0.2718390 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0272727 0.2718390 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0181818 0.2718390 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0090909 0.2718390 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.2718390 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.2718390 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.2627777 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.2537164 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.2446551 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2355938 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2265325 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2174712 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2084099 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.1993486 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.1902873 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.1812260 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.1721647 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1631034 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1540421 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1449808 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1359195 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1268582 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.1177969 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.1087356 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0996743 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0906130 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0815517 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0724904 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0634291 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0543678 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0453065 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0362452 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0271839 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0181226 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0000000 0.0090613 -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 0.0089166), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0178333), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0267499), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0356665), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0445832), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.0534998), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0624164), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0713331), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.0802497), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.0891663), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.0980830), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1069996), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1159162), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1248329), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.1337495), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.1426661), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.1515828), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.1604994), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.1694160), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.1783327), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.1872493), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.1961659), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.2050826), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.2139992), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.2229158), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.2318325), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2407491), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2407491), wk = 0.0021739 k( 204) = ( 0.0090909 -0.0000000 0.2407491), wk = 0.0021739 k( 205) = ( 0.0181818 -0.0000000 0.2407491), wk = 0.0021739 k( 206) = ( 0.0272727 -0.0000000 0.2407491), wk = 0.0021739 k( 207) = ( 0.0363636 -0.0000000 0.2407491), wk = 0.0021739 k( 208) = ( 0.0454546 -0.0000000 0.2407491), wk = 0.0021739 k( 209) = ( 0.0545455 -0.0000000 0.2407491), wk = 0.0021739 k( 210) = ( 0.0636364 -0.0000000 0.2407491), wk = 0.0021739 k( 211) = ( 0.0727273 -0.0000000 0.2407491), wk = 0.0021739 k( 212) = ( 0.0818182 -0.0000000 0.2407491), wk = 0.0021739 k( 213) = ( 0.0909091 -0.0000000 0.2407491), wk = 0.0021739 k( 214) = ( 0.1000000 -0.0000000 0.2407491), wk = 0.0021739 k( 215) = ( 0.1090909 -0.0000000 0.2407491), wk = 0.0021739 k( 216) = ( 0.1181818 -0.0000000 0.2407491), wk = 0.0021739 k( 217) = ( 0.1272727 -0.0000000 0.2407491), wk = 0.0021739 k( 218) = ( 0.1363636 -0.0000000 0.2407491), wk = 0.0021739 k( 219) = ( 0.1454545 -0.0000000 0.2407491), wk = 0.0021739 k( 220) = ( 0.1545455 -0.0000000 0.2407491), wk = 0.0021739 k( 221) = ( 0.1636364 -0.0000000 0.2407491), wk = 0.0021739 k( 222) = ( 0.1727273 -0.0000000 0.2407491), wk = 0.0021739 k( 223) = ( 0.1818182 -0.0000000 0.2407491), wk = 0.0021739 k( 224) = ( 0.1909091 -0.0000000 0.2407491), wk = 0.0021739 k( 225) = ( 0.2000000 -0.0000000 0.2407491), wk = 0.0021739 k( 226) = ( 0.2090909 -0.0000000 0.2407491), wk = 0.0021739 k( 227) = ( 0.2181818 -0.0000000 0.2407491), wk = 0.0021739 k( 228) = ( 0.2272727 -0.0000000 0.2407491), wk = 0.0021739 k( 229) = ( 0.2363636 -0.0000000 0.2407491), wk = 0.0021739 k( 230) = ( 0.2454545 -0.0000000 0.2407491), wk = 0.0021739 k( 231) = ( 0.2545455 -0.0000000 0.2407491), wk = 0.0021739 k( 232) = ( 0.2636364 -0.0000000 0.2407491), wk = 0.0021739 k( 233) = ( 0.2727273 -0.0000000 0.2407491), wk = 0.0021739 k( 234) = ( 0.2818182 -0.0000000 0.2407491), wk = 0.0021739 k( 235) = ( 0.2909091 -0.0000000 0.2407491), wk = 0.0021739 k( 236) = ( 0.3000000 -0.0000000 0.2407491), wk = 0.0021739 k( 237) = ( 0.3090909 -0.0000000 0.2407491), wk = 0.0021739 k( 238) = ( 0.3181818 -0.0000000 0.2407491), wk = 0.0021739 k( 239) = ( 0.3272727 -0.0000000 0.2407491), wk = 0.0021739 k( 240) = ( 0.3363636 -0.0000000 0.2407491), wk = 0.0021739 k( 241) = ( 0.3454546 -0.0000000 0.2407491), wk = 0.0021739 k( 242) = ( 0.3545454 -0.0000000 0.2407491), wk = 0.0021739 k( 243) = ( 0.3636364 -0.0000000 0.2407491), wk = 0.0021739 k( 244) = ( 0.3727273 -0.0000000 0.2407491), wk = 0.0021739 k( 245) = ( 0.3818182 -0.0000000 0.2407491), wk = 0.0021739 k( 246) = ( 0.3909091 -0.0000000 0.2407491), wk = 0.0021739 k( 247) = ( 0.4000000 -0.0000000 0.2407491), wk = 0.0021739 k( 248) = ( 0.4090909 -0.0000000 0.2407491), wk = 0.0021739 k( 249) = ( 0.4181818 -0.0000000 0.2407491), wk = 0.0021739 k( 250) = ( 0.4272727 -0.0000000 0.2407491), wk = 0.0021739 k( 251) = ( 0.4363636 -0.0000000 0.2407491), wk = 0.0021739 k( 252) = ( 0.4454546 -0.0000000 0.2407491), wk = 0.0021739 k( 253) = ( 0.4545455 -0.0000000 0.2407491), wk = 0.0021739 k( 254) = ( 0.4636364 -0.0000000 0.2407491), wk = 0.0021739 k( 255) = ( 0.4727273 -0.0000000 0.2407491), wk = 0.0021739 k( 256) = ( 0.4818182 -0.0000000 0.2407491), wk = 0.0021739 k( 257) = ( 0.4909091 -0.0000000 0.2407491), wk = 0.0021739 k( 258) = ( 0.5000000 -0.0000000 0.2407491), wk = 0.0021739 k( 259) = ( 0.5000000 -0.0000000 0.2407491), wk = 0.0021739 k( 260) = ( 0.5000000 0.0090613 0.2407491), wk = 0.0021739 k( 261) = ( 0.5000000 0.0181226 0.2407491), wk = 0.0021739 k( 262) = ( 0.5000000 0.0271839 0.2407491), wk = 0.0021739 k( 263) = ( 0.5000000 0.0362452 0.2407491), wk = 0.0021739 k( 264) = ( 0.5000000 0.0453065 0.2407491), wk = 0.0021739 k( 265) = ( 0.5000000 0.0543678 0.2407491), wk = 0.0021739 k( 266) = ( 0.5000000 0.0634291 0.2407491), wk = 0.0021739 k( 267) = ( 0.5000000 0.0724904 0.2407491), wk = 0.0021739 k( 268) = ( 0.5000000 0.0815517 0.2407491), wk = 0.0021739 k( 269) = ( 0.5000000 0.0906130 0.2407491), wk = 0.0021739 k( 270) = ( 0.5000000 0.0996743 0.2407491), wk = 0.0021739 k( 271) = ( 0.5000000 0.1087356 0.2407491), wk = 0.0021739 k( 272) = ( 0.5000000 0.1177969 0.2407491), wk = 0.0021739 k( 273) = ( 0.5000000 0.1268582 0.2407491), wk = 0.0021739 k( 274) = ( 0.5000000 0.1359195 0.2407491), wk = 0.0021739 k( 275) = ( 0.5000000 0.1449808 0.2407491), wk = 0.0021739 k( 276) = ( 0.5000000 0.1540421 0.2407491), wk = 0.0021739 k( 277) = ( 0.5000000 0.1631034 0.2407491), wk = 0.0021739 k( 278) = ( 0.5000000 0.1721647 0.2407491), wk = 0.0021739 k( 279) = ( 0.5000000 0.1812260 0.2407491), wk = 0.0021739 k( 280) = ( 0.5000000 0.1902873 0.2407491), wk = 0.0021739 k( 281) = ( 0.5000000 0.1993486 0.2407491), wk = 0.0021739 k( 282) = ( 0.5000000 0.2084099 0.2407491), wk = 0.0021739 k( 283) = ( 0.5000000 0.2174712 0.2407491), wk = 0.0021739 k( 284) = ( 0.5000000 0.2265325 0.2407491), wk = 0.0021739 k( 285) = ( 0.5000000 0.2355938 0.2407491), wk = 0.0021739 k( 286) = ( 0.5000000 0.2446551 0.2407491), wk = 0.0021739 k( 287) = ( 0.5000000 0.2537164 0.2407491), wk = 0.0021739 k( 288) = ( 0.5000000 0.2627777 0.2407491), wk = 0.0021739 k( 289) = ( 0.5000000 0.2718390 0.2407491), wk = 0.0021739 k( 290) = ( 0.5000000 0.2718390 0.2407491), wk = 0.0021739 k( 291) = ( 0.4909091 0.2718390 0.2407491), wk = 0.0021739 k( 292) = ( 0.4818182 0.2718390 0.2407491), wk = 0.0021739 k( 293) = ( 0.4727273 0.2718390 0.2407491), wk = 0.0021739 k( 294) = ( 0.4636364 0.2718390 0.2407491), wk = 0.0021739 k( 295) = ( 0.4545455 0.2718390 0.2407491), wk = 0.0021739 k( 296) = ( 0.4454546 0.2718390 0.2407491), wk = 0.0021739 k( 297) = ( 0.4363636 0.2718390 0.2407491), wk = 0.0021739 k( 298) = ( 0.4272727 0.2718390 0.2407491), wk = 0.0021739 k( 299) = ( 0.4181818 0.2718390 0.2407491), wk = 0.0021739 k( 300) = ( 0.4090909 0.2718390 0.2407491), wk = 0.0021739 k( 301) = ( 0.4000000 0.2718390 0.2407491), wk = 0.0021739 k( 302) = ( 0.3909091 0.2718390 0.2407491), wk = 0.0021739 k( 303) = ( 0.3818182 0.2718390 0.2407491), wk = 0.0021739 k( 304) = ( 0.3727273 0.2718390 0.2407491), wk = 0.0021739 k( 305) = ( 0.3636364 0.2718390 0.2407491), wk = 0.0021739 k( 306) = ( 0.3545454 0.2718390 0.2407491), wk = 0.0021739 k( 307) = ( 0.3454546 0.2718390 0.2407491), wk = 0.0021739 k( 308) = ( 0.3363636 0.2718390 0.2407491), wk = 0.0021739 k( 309) = ( 0.3272727 0.2718390 0.2407491), wk = 0.0021739 k( 310) = ( 0.3181818 0.2718390 0.2407491), wk = 0.0021739 k( 311) = ( 0.3090909 0.2718390 0.2407491), wk = 0.0021739 k( 312) = ( 0.3000000 0.2718390 0.2407491), wk = 0.0021739 k( 313) = ( 0.2909091 0.2718390 0.2407491), wk = 0.0021739 k( 314) = ( 0.2818182 0.2718390 0.2407491), wk = 0.0021739 k( 315) = ( 0.2727273 0.2718390 0.2407491), wk = 0.0021739 k( 316) = ( 0.2636364 0.2718390 0.2407491), wk = 0.0021739 k( 317) = ( 0.2545455 0.2718390 0.2407491), wk = 0.0021739 k( 318) = ( 0.2454545 0.2718390 0.2407491), wk = 0.0021739 k( 319) = ( 0.2363636 0.2718390 0.2407491), wk = 0.0021739 k( 320) = ( 0.2272727 0.2718390 0.2407491), wk = 0.0021739 k( 321) = ( 0.2181818 0.2718390 0.2407491), wk = 0.0021739 k( 322) = ( 0.2090909 0.2718390 0.2407491), wk = 0.0021739 k( 323) = ( 0.2000000 0.2718390 0.2407491), wk = 0.0021739 k( 324) = ( 0.1909091 0.2718390 0.2407491), wk = 0.0021739 k( 325) = ( 0.1818182 0.2718390 0.2407491), wk = 0.0021739 k( 326) = ( 0.1727273 0.2718390 0.2407491), wk = 0.0021739 k( 327) = ( 0.1636364 0.2718390 0.2407491), wk = 0.0021739 k( 328) = ( 0.1545455 0.2718390 0.2407491), wk = 0.0021739 k( 329) = ( 0.1454545 0.2718390 0.2407491), wk = 0.0021739 k( 330) = ( 0.1363636 0.2718390 0.2407491), wk = 0.0021739 k( 331) = ( 0.1272727 0.2718390 0.2407491), wk = 0.0021739 k( 332) = ( 0.1181818 0.2718390 0.2407491), wk = 0.0021739 k( 333) = ( 0.1090909 0.2718390 0.2407491), wk = 0.0021739 k( 334) = ( 0.1000000 0.2718390 0.2407491), wk = 0.0021739 k( 335) = ( 0.0909091 0.2718390 0.2407491), wk = 0.0021739 k( 336) = ( 0.0818182 0.2718390 0.2407491), wk = 0.0021739 k( 337) = ( 0.0727273 0.2718390 0.2407491), wk = 0.0021739 k( 338) = ( 0.0636364 0.2718390 0.2407491), wk = 0.0021739 k( 339) = ( 0.0545455 0.2718390 0.2407491), wk = 0.0021739 k( 340) = ( 0.0454546 0.2718390 0.2407491), wk = 0.0021739 k( 341) = ( 0.0363636 0.2718390 0.2407491), wk = 0.0021739 k( 342) = ( 0.0272727 0.2718390 0.2407491), wk = 0.0021739 k( 343) = ( 0.0181818 0.2718390 0.2407491), wk = 0.0021739 k( 344) = ( 0.0090909 0.2718390 0.2407491), wk = 0.0021739 k( 345) = ( 0.0000000 0.2718390 0.2407491), wk = 0.0021739 k( 346) = ( 0.0000000 0.2718390 0.2407491), wk = 0.0021739 k( 347) = ( 0.0000000 0.2627777 0.2407491), wk = 0.0021739 k( 348) = ( 0.0000000 0.2537164 0.2407491), wk = 0.0021739 k( 349) = ( 0.0000000 0.2446551 0.2407491), wk = 0.0021739 k( 350) = ( 0.0000000 0.2355938 0.2407491), wk = 0.0021739 k( 351) = ( 0.0000000 0.2265325 0.2407491), wk = 0.0021739 k( 352) = ( 0.0000000 0.2174712 0.2407491), wk = 0.0021739 k( 353) = ( 0.0000000 0.2084099 0.2407491), wk = 0.0021739 k( 354) = ( 0.0000000 0.1993486 0.2407491), wk = 0.0021739 k( 355) = ( 0.0000000 0.1902873 0.2407491), wk = 0.0021739 k( 356) = ( 0.0000000 0.1812260 0.2407491), wk = 0.0021739 k( 357) = ( 0.0000000 0.1721647 0.2407491), wk = 0.0021739 k( 358) = ( 0.0000000 0.1631034 0.2407491), wk = 0.0021739 k( 359) = ( 0.0000000 0.1540421 0.2407491), wk = 0.0021739 k( 360) = ( 0.0000000 0.1449808 0.2407491), wk = 0.0021739 k( 361) = ( 0.0000000 0.1359195 0.2407491), wk = 0.0021739 k( 362) = ( 0.0000000 0.1268582 0.2407491), wk = 0.0021739 k( 363) = ( 0.0000000 0.1177969 0.2407491), wk = 0.0021739 k( 364) = ( 0.0000000 0.1087356 0.2407491), wk = 0.0021739 k( 365) = ( 0.0000000 0.0996743 0.2407491), wk = 0.0021739 k( 366) = ( 0.0000000 0.0906130 0.2407491), wk = 0.0021739 k( 367) = ( 0.0000000 0.0815517 0.2407491), wk = 0.0021739 k( 368) = ( 0.0000000 0.0724904 0.2407491), wk = 0.0021739 k( 369) = ( 0.0000000 0.0634291 0.2407491), wk = 0.0021739 k( 370) = ( 0.0000000 0.0543678 0.2407491), wk = 0.0021739 k( 371) = ( 0.0000000 0.0453065 0.2407491), wk = 0.0021739 k( 372) = ( 0.0000000 0.0362452 0.2407491), wk = 0.0021739 k( 373) = ( 0.0000000 0.0271839 0.2407491), wk = 0.0021739 k( 374) = ( 0.0000000 0.0181226 0.2407491), wk = 0.0021739 k( 375) = ( 0.0000000 0.0090613 0.2407491), wk = 0.0021739 k( 376) = ( 0.0000000 0.0000000 0.2407491), wk = 0.0021739 k( 377) = ( 0.0000000 0.2718390 -0.0000000), wk = 0.0021739 k( 378) = ( 0.0000000 0.2718390 0.0089166), wk = 0.0021739 k( 379) = ( 0.0000000 0.2718390 0.0178333), wk = 0.0021739 k( 380) = ( 0.0000000 0.2718390 0.0267499), wk = 0.0021739 k( 381) = ( 0.0000000 0.2718390 0.0356665), wk = 0.0021739 k( 382) = ( 0.0000000 0.2718390 0.0445832), wk = 0.0021739 k( 383) = ( 0.0000000 0.2718390 0.0534998), wk = 0.0021739 k( 384) = ( 0.0000000 0.2718390 0.0624164), wk = 0.0021739 k( 385) = ( 0.0000000 0.2718390 0.0713331), wk = 0.0021739 k( 386) = ( 0.0000000 0.2718390 0.0802497), wk = 0.0021739 k( 387) = ( 0.0000000 0.2718390 0.0891663), wk = 0.0021739 k( 388) = ( 0.0000000 0.2718390 0.0980830), wk = 0.0021739 k( 389) = ( 0.0000000 0.2718390 0.1069996), wk = 0.0021739 k( 390) = ( 0.0000000 0.2718390 0.1159162), wk = 0.0021739 k( 391) = ( 0.0000000 0.2718390 0.1248329), wk = 0.0021739 k( 392) = ( 0.0000000 0.2718390 0.1337495), wk = 0.0021739 k( 393) = ( 0.0000000 0.2718390 0.1426661), wk = 0.0021739 k( 394) = ( 0.0000000 0.2718390 0.1515828), wk = 0.0021739 k( 395) = ( 0.0000000 0.2718390 0.1604994), wk = 0.0021739 k( 396) = ( 0.0000000 0.2718390 0.1694160), wk = 0.0021739 k( 397) = ( 0.0000000 0.2718390 0.1783327), wk = 0.0021739 k( 398) = ( 0.0000000 0.2718390 0.1872493), wk = 0.0021739 k( 399) = ( 0.0000000 0.2718390 0.1961659), wk = 0.0021739 k( 400) = ( 0.0000000 0.2718390 0.2050826), wk = 0.0021739 k( 401) = ( 0.0000000 0.2718390 0.2139992), wk = 0.0021739 k( 402) = ( 0.0000000 0.2718390 0.2229158), wk = 0.0021739 k( 403) = ( 0.0000000 0.2718390 0.2318325), wk = 0.0021739 k( 404) = ( 0.0000000 0.2718390 0.2407491), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.2407491), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.2318325), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.2229158), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.2139992), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.2050826), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.1961659), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.1872493), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.1783327), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.1694160), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.1604994), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.1515828), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1426661), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1337495), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1248329), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1159162), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1069996), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.0980830), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.0891663), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.0802497), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.0713331), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.0624164), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0534998), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0445832), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0356665), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0267499), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 0.0178333), wk = 0.0021739 k( 431) = ( 0.5000000 -0.0000000 0.0089166), wk = 0.0021739 k( 432) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 433) = ( 0.5000000 0.2718390 -0.0000000), wk = 0.0021739 k( 434) = ( 0.5000000 0.2718390 0.0089166), wk = 0.0021739 k( 435) = ( 0.5000000 0.2718390 0.0178333), wk = 0.0021739 k( 436) = ( 0.5000000 0.2718390 0.0267499), wk = 0.0021739 k( 437) = ( 0.5000000 0.2718390 0.0356665), wk = 0.0021739 k( 438) = ( 0.5000000 0.2718390 0.0445832), wk = 0.0021739 k( 439) = ( 0.5000000 0.2718390 0.0534998), wk = 0.0021739 k( 440) = ( 0.5000000 0.2718390 0.0624164), wk = 0.0021739 k( 441) = ( 0.5000000 0.2718390 0.0713331), wk = 0.0021739 k( 442) = ( 0.5000000 0.2718390 0.0802497), wk = 0.0021739 k( 443) = ( 0.5000000 0.2718390 0.0891663), wk = 0.0021739 k( 444) = ( 0.5000000 0.2718390 0.0980830), wk = 0.0021739 k( 445) = ( 0.5000000 0.2718390 0.1069996), wk = 0.0021739 k( 446) = ( 0.5000000 0.2718390 0.1159162), wk = 0.0021739 k( 447) = ( 0.5000000 0.2718390 0.1248329), wk = 0.0021739 k( 448) = ( 0.5000000 0.2718390 0.1337495), wk = 0.0021739 k( 449) = ( 0.5000000 0.2718390 0.1426661), wk = 0.0021739 k( 450) = ( 0.5000000 0.2718390 0.1515828), wk = 0.0021739 k( 451) = ( 0.5000000 0.2718390 0.1604994), wk = 0.0021739 k( 452) = ( 0.5000000 0.2718390 0.1694160), wk = 0.0021739 k( 453) = ( 0.5000000 0.2718390 0.1783327), wk = 0.0021739 k( 454) = ( 0.5000000 0.2718390 0.1872493), wk = 0.0021739 k( 455) = ( 0.5000000 0.2718390 0.1961659), wk = 0.0021739 k( 456) = ( 0.5000000 0.2718390 0.2050826), wk = 0.0021739 k( 457) = ( 0.5000000 0.2718390 0.2139992), wk = 0.0021739 k( 458) = ( 0.5000000 0.2718390 0.2229158), wk = 0.0021739 k( 459) = ( 0.5000000 0.2718390 0.2318325), wk = 0.0021739 k( 460) = ( 0.5000000 0.2718390 0.2407491), 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: 38277 G-vectors FFT dimensions: ( 27, 50, 60) Smooth grid: 26009 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 ( 1198) G-vector shells 0.00 Mb ( 615) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 212, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) 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 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.6 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.7 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.9 secs Computing kpt #: 21 total cpu time spent up to now is 14.5 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.6 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.8 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.1 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.1 secs Computing kpt #: 32 total cpu time spent up to now is 21.8 secs Computing kpt #: 33 total cpu time spent up to now is 22.5 secs Computing kpt #: 34 total cpu time spent up to now is 23.2 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.4 secs Computing kpt #: 37 total cpu time spent up to now is 25.0 secs Computing kpt #: 38 total cpu time spent up to now is 25.6 secs Computing kpt #: 39 total cpu time spent up to now is 26.2 secs Computing kpt #: 40 total cpu time spent up to now is 26.7 secs Computing kpt #: 41 total cpu time spent up to now is 27.3 secs Computing kpt #: 42 total cpu time spent up to now is 27.9 secs Computing kpt #: 43 total cpu time spent up to now is 28.4 secs Computing kpt #: 44 total cpu time spent up to now is 28.9 secs Computing kpt #: 45 total cpu time spent up to now is 29.5 secs Computing kpt #: 46 total cpu time spent up to now is 30.0 secs Computing kpt #: 47 total cpu time spent up to now is 30.5 secs Computing kpt #: 48 total cpu time spent up to now is 31.1 secs Computing kpt #: 49 total cpu time spent up to now is 31.7 secs Computing kpt #: 50 total cpu time spent up to now is 32.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.1 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.7 secs Computing kpt #: 54 total cpu time spent up to now is 35.3 secs Computing kpt #: 55 total cpu time spent up to now is 35.9 secs Computing kpt #: 56 total cpu time spent up to now is 36.4 secs Computing kpt #: 57 total cpu time spent up to now is 37.0 secs Computing kpt #: 58 total cpu time spent up to now is 37.6 secs Computing kpt #: 59 total cpu time spent up to now is 38.2 secs Computing kpt #: 60 total cpu time spent up to now is 38.8 secs Computing kpt #: 61 total cpu time spent up to now is 39.4 secs Computing kpt #: 62 total cpu time spent up to now is 40.0 secs Computing kpt #: 63 total cpu time spent up to now is 40.6 secs Computing kpt #: 64 total cpu time spent up to now is 41.3 secs Computing kpt #: 65 total cpu time spent up to now is 41.9 secs Computing kpt #: 66 total cpu time spent up to now is 42.6 secs Computing kpt #: 67 total cpu time spent up to now is 43.2 secs Computing kpt #: 68 total cpu time spent up to now is 43.9 secs Computing kpt #: 69 total cpu time spent up to now is 44.6 secs Computing kpt #: 70 total cpu time spent up to now is 45.3 secs Computing kpt #: 71 total cpu time spent up to now is 46.0 secs Computing kpt #: 72 total cpu time spent up to now is 46.7 secs Computing kpt #: 73 total cpu time spent up to now is 47.4 secs Computing kpt #: 74 total cpu time spent up to now is 48.1 secs Computing kpt #: 75 total cpu time spent up to now is 48.7 secs Computing kpt #: 76 total cpu time spent up to now is 49.4 secs Computing kpt #: 77 total cpu time spent up to now is 49.9 secs Computing kpt #: 78 total cpu time spent up to now is 50.4 secs Computing kpt #: 79 total cpu time spent up to now is 51.0 secs Computing kpt #: 80 total cpu time spent up to now is 51.5 secs Computing kpt #: 81 total cpu time spent up to now is 52.0 secs Computing kpt #: 82 total cpu time spent up to now is 52.5 secs Computing kpt #: 83 total cpu time spent up to now is 53.1 secs Computing kpt #: 84 total cpu time spent up to now is 53.6 secs Computing kpt #: 85 total cpu time spent up to now is 54.1 secs Computing kpt #: 86 total cpu time spent up to now is 54.6 secs Computing kpt #: 87 total cpu time spent up to now is 55.2 secs Computing kpt #: 88 total cpu time spent up to now is 55.7 secs Computing kpt #: 89 total cpu time spent up to now is 56.2 secs Computing kpt #: 90 total cpu time spent up to now is 56.7 secs Computing kpt #: 91 total cpu time spent up to now is 57.2 secs Computing kpt #: 92 total cpu time spent up to now is 57.8 secs Computing kpt #: 93 total cpu time spent up to now is 58.3 secs Computing kpt #: 94 total cpu time spent up to now is 58.8 secs Computing kpt #: 95 total cpu time spent up to now is 59.4 secs Computing kpt #: 96 total cpu time spent up to now is 59.9 secs Computing kpt #: 97 total cpu time spent up to now is 60.4 secs Computing kpt #: 98 total cpu time spent up to now is 60.9 secs Computing kpt #: 99 total cpu time spent up to now is 61.5 secs Computing kpt #: 100 total cpu time spent up to now is 62.0 secs Computing kpt #: 101 total cpu time spent up to now is 62.5 secs Computing kpt #: 102 total cpu time spent up to now is 63.0 secs Computing kpt #: 103 total cpu time spent up to now is 63.6 secs Computing kpt #: 104 total cpu time spent up to now is 64.1 secs Computing kpt #: 105 total cpu time spent up to now is 64.6 secs Computing kpt #: 106 total cpu time spent up to now is 65.2 secs Computing kpt #: 107 total cpu time spent up to now is 65.7 secs Computing kpt #: 108 total cpu time spent up to now is 66.2 secs Computing kpt #: 109 total cpu time spent up to now is 66.8 secs Computing kpt #: 110 total cpu time spent up to now is 67.3 secs Computing kpt #: 111 total cpu time spent up to now is 67.8 secs Computing kpt #: 112 total cpu time spent up to now is 68.4 secs Computing kpt #: 113 total cpu time spent up to now is 68.9 secs Computing kpt #: 114 total cpu time spent up to now is 69.4 secs Computing kpt #: 115 total cpu time spent up to now is 70.0 secs Computing kpt #: 116 total cpu time spent up to now is 70.5 secs Computing kpt #: 117 total cpu time spent up to now is 71.0 secs Computing kpt #: 118 total cpu time spent up to now is 71.6 secs Computing kpt #: 119 total cpu time spent up to now is 72.1 secs Computing kpt #: 120 total cpu time spent up to now is 72.7 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 74.0 secs Computing kpt #: 123 total cpu time spent up to now is 74.6 secs Computing kpt #: 124 total cpu time spent up to now is 75.3 secs Computing kpt #: 125 total cpu time spent up to now is 76.0 secs Computing kpt #: 126 total cpu time spent up to now is 76.7 secs Computing kpt #: 127 total cpu time spent up to now is 77.4 secs Computing kpt #: 128 total cpu time spent up to now is 78.1 secs Computing kpt #: 129 total cpu time spent up to now is 78.9 secs Computing kpt #: 130 total cpu time spent up to now is 79.6 secs Computing kpt #: 131 total cpu time spent up to now is 80.4 secs Computing kpt #: 132 total cpu time spent up to now is 81.1 secs Computing kpt #: 133 total cpu time spent up to now is 81.9 secs Computing kpt #: 134 total cpu time spent up to now is 82.6 secs Computing kpt #: 135 total cpu time spent up to now is 83.4 secs Computing kpt #: 136 total cpu time spent up to now is 84.1 secs Computing kpt #: 137 total cpu time spent up to now is 84.8 secs Computing kpt #: 138 total cpu time spent up to now is 85.5 secs Computing kpt #: 139 total cpu time spent up to now is 86.1 secs Computing kpt #: 140 total cpu time spent up to now is 86.8 secs Computing kpt #: 141 total cpu time spent up to now is 87.4 secs Computing kpt #: 142 total cpu time spent up to now is 88.1 secs Computing kpt #: 143 total cpu time spent up to now is 88.7 secs Computing kpt #: 144 total cpu time spent up to now is 89.3 secs Computing kpt #: 145 total cpu time spent up to now is 90.0 secs Computing kpt #: 146 total cpu time spent up to now is 90.6 secs Computing kpt #: 147 total cpu time spent up to now is 91.3 secs Computing kpt #: 148 total cpu time spent up to now is 92.2 secs Computing kpt #: 149 total cpu time spent up to now is 92.8 secs Computing kpt #: 150 total cpu time spent up to now is 93.4 secs Computing kpt #: 151 total cpu time spent up to now is 94.0 secs Computing kpt #: 152 total cpu time spent up to now is 94.6 secs Computing kpt #: 153 total cpu time spent up to now is 95.2 secs Computing kpt #: 154 total cpu time spent up to now is 95.8 secs Computing kpt #: 155 total cpu time spent up to now is 96.4 secs Computing kpt #: 156 total cpu time spent up to now is 97.0 secs Computing kpt #: 157 total cpu time spent up to now is 97.6 secs Computing kpt #: 158 total cpu time spent up to now is 98.2 secs Computing kpt #: 159 total cpu time spent up to now is 98.8 secs Computing kpt #: 160 total cpu time spent up to now is 99.4 secs Computing kpt #: 161 total cpu time spent up to now is 100.0 secs Computing kpt #: 162 total cpu time spent up to now is 100.6 secs Computing kpt #: 163 total cpu time spent up to now is 101.2 secs Computing kpt #: 164 total cpu time spent up to now is 101.9 secs Computing kpt #: 165 total cpu time spent up to now is 102.5 secs Computing kpt #: 166 total cpu time spent up to now is 103.1 secs Computing kpt #: 167 total cpu time spent up to now is 103.7 secs Computing kpt #: 168 total cpu time spent up to now is 104.9 secs Computing kpt #: 169 total cpu time spent up to now is 106.4 secs Computing kpt #: 170 total cpu time spent up to now is 107.8 secs Computing kpt #: 171 total cpu time spent up to now is 108.9 secs Computing kpt #: 172 total cpu time spent up to now is 109.5 secs Computing kpt #: 173 total cpu time spent up to now is 110.1 secs Computing kpt #: 174 total cpu time spent up to now is 110.7 secs Computing kpt #: 175 total cpu time spent up to now is 111.3 secs Computing kpt #: 176 total cpu time spent up to now is 111.9 secs Computing kpt #: 177 total cpu time spent up to now is 112.6 secs Computing kpt #: 178 total cpu time spent up to now is 113.2 secs Computing kpt #: 179 total cpu time spent up to now is 113.8 secs Computing kpt #: 180 total cpu time spent up to now is 114.4 secs Computing kpt #: 181 total cpu time spent up to now is 115.0 secs Computing kpt #: 182 total cpu time spent up to now is 115.6 secs Computing kpt #: 183 total cpu time spent up to now is 116.2 secs Computing kpt #: 184 total cpu time spent up to now is 116.8 secs Computing kpt #: 185 total cpu time spent up to now is 117.5 secs Computing kpt #: 186 total cpu time spent up to now is 118.1 secs Computing kpt #: 187 total cpu time spent up to now is 118.7 secs Computing kpt #: 188 total cpu time spent up to now is 119.3 secs Computing kpt #: 189 total cpu time spent up to now is 119.9 secs Computing kpt #: 190 total cpu time spent up to now is 120.5 secs Computing kpt #: 191 total cpu time spent up to now is 121.2 secs Computing kpt #: 192 total cpu time spent up to now is 121.8 secs Computing kpt #: 193 total cpu time spent up to now is 122.4 secs Computing kpt #: 194 total cpu time spent up to now is 123.0 secs Computing kpt #: 195 total cpu time spent up to now is 123.6 secs Computing kpt #: 196 total cpu time spent up to now is 124.2 secs Computing kpt #: 197 total cpu time spent up to now is 124.9 secs Computing kpt #: 198 total cpu time spent up to now is 125.6 secs Computing kpt #: 199 total cpu time spent up to now is 126.4 secs Computing kpt #: 200 total cpu time spent up to now is 127.1 secs Computing kpt #: 201 total cpu time spent up to now is 127.8 secs Computing kpt #: 202 total cpu time spent up to now is 128.4 secs Computing kpt #: 203 total cpu time spent up to now is 129.1 secs Computing kpt #: 204 total cpu time spent up to now is 129.7 secs Computing kpt #: 205 total cpu time spent up to now is 130.4 secs Computing kpt #: 206 total cpu time spent up to now is 131.1 secs Computing kpt #: 207 total cpu time spent up to now is 131.8 secs Computing kpt #: 208 total cpu time spent up to now is 132.6 secs Computing kpt #: 209 total cpu time spent up to now is 133.3 secs Computing kpt #: 210 total cpu time spent up to now is 134.1 secs Computing kpt #: 211 total cpu time spent up to now is 134.9 secs Computing kpt #: 212 total cpu time spent up to now is 135.7 secs Computing kpt #: 213 total cpu time spent up to now is 136.4 secs Computing kpt #: 214 total cpu time spent up to now is 137.1 secs Computing kpt #: 215 total cpu time spent up to now is 137.9 secs Computing kpt #: 216 total cpu time spent up to now is 138.5 secs Computing kpt #: 217 total cpu time spent up to now is 139.3 secs Computing kpt #: 218 total cpu time spent up to now is 140.0 secs Computing kpt #: 219 total cpu time spent up to now is 140.7 secs Computing kpt #: 220 total cpu time spent up to now is 141.4 secs Computing kpt #: 221 total cpu time spent up to now is 142.1 secs Computing kpt #: 222 total cpu time spent up to now is 142.8 secs Computing kpt #: 223 total cpu time spent up to now is 143.5 secs Computing kpt #: 224 total cpu time spent up to now is 144.2 secs Computing kpt #: 225 total cpu time spent up to now is 144.9 secs Computing kpt #: 226 total cpu time spent up to now is 145.7 secs Computing kpt #: 227 total cpu time spent up to now is 146.5 secs Computing kpt #: 228 total cpu time spent up to now is 147.2 secs Computing kpt #: 229 total cpu time spent up to now is 148.0 secs Computing kpt #: 230 total cpu time spent up to now is 148.7 secs Computing kpt #: 231 total cpu time spent up to now is 149.3 secs Computing kpt #: 232 total cpu time spent up to now is 149.9 secs Computing kpt #: 233 total cpu time spent up to now is 150.5 secs Computing kpt #: 234 total cpu time spent up to now is 151.0 secs Computing kpt #: 235 total cpu time spent up to now is 151.5 secs Computing kpt #: 236 total cpu time spent up to now is 152.0 secs Computing kpt #: 237 total cpu time spent up to now is 152.6 secs Computing kpt #: 238 total cpu time spent up to now is 153.1 secs Computing kpt #: 239 total cpu time spent up to now is 153.6 secs Computing kpt #: 240 total cpu time spent up to now is 154.1 secs Computing kpt #: 241 total cpu time spent up to now is 154.7 secs Computing kpt #: 242 total cpu time spent up to now is 155.2 secs Computing kpt #: 243 total cpu time spent up to now is 155.8 secs Computing kpt #: 244 total cpu time spent up to now is 156.3 secs Computing kpt #: 245 total cpu time spent up to now is 156.8 secs Computing kpt #: 246 total cpu time spent up to now is 157.4 secs Computing kpt #: 247 total cpu time spent up to now is 157.9 secs Computing kpt #: 248 total cpu time spent up to now is 158.5 secs Computing kpt #: 249 total cpu time spent up to now is 159.2 secs Computing kpt #: 250 total cpu time spent up to now is 159.8 secs Computing kpt #: 251 total cpu time spent up to now is 160.4 secs Computing kpt #: 252 total cpu time spent up to now is 161.0 secs Computing kpt #: 253 total cpu time spent up to now is 161.6 secs Computing kpt #: 254 total cpu time spent up to now is 162.2 secs Computing kpt #: 255 total cpu time spent up to now is 162.8 secs Computing kpt #: 256 total cpu time spent up to now is 163.4 secs Computing kpt #: 257 total cpu time spent up to now is 164.0 secs Computing kpt #: 258 total cpu time spent up to now is 164.5 secs Computing kpt #: 259 total cpu time spent up to now is 165.0 secs Computing kpt #: 260 total cpu time spent up to now is 165.5 secs Computing kpt #: 261 total cpu time spent up to now is 166.1 secs Computing kpt #: 262 total cpu time spent up to now is 166.6 secs Computing kpt #: 263 total cpu time spent up to now is 167.2 secs Computing kpt #: 264 total cpu time spent up to now is 167.7 secs Computing kpt #: 265 total cpu time spent up to now is 168.2 secs Computing kpt #: 266 total cpu time spent up to now is 168.8 secs Computing kpt #: 267 total cpu time spent up to now is 169.3 secs Computing kpt #: 268 total cpu time spent up to now is 169.9 secs Computing kpt #: 269 total cpu time spent up to now is 170.5 secs Computing kpt #: 270 total cpu time spent up to now is 171.0 secs Computing kpt #: 271 total cpu time spent up to now is 171.6 secs Computing kpt #: 272 total cpu time spent up to now is 172.2 secs Computing kpt #: 273 total cpu time spent up to now is 172.8 secs Computing kpt #: 274 total cpu time spent up to now is 173.4 secs Computing kpt #: 275 total cpu time spent up to now is 174.0 secs Computing kpt #: 276 total cpu time spent up to now is 174.6 secs Computing kpt #: 277 total cpu time spent up to now is 175.2 secs Computing kpt #: 278 total cpu time spent up to now is 175.9 secs Computing kpt #: 279 total cpu time spent up to now is 176.5 secs Computing kpt #: 280 total cpu time spent up to now is 177.1 secs Computing kpt #: 281 total cpu time spent up to now is 177.8 secs Computing kpt #: 282 total cpu time spent up to now is 178.4 secs Computing kpt #: 283 total cpu time spent up to now is 179.0 secs Computing kpt #: 284 total cpu time spent up to now is 179.6 secs Computing kpt #: 285 total cpu time spent up to now is 180.3 secs Computing kpt #: 286 total cpu time spent up to now is 180.9 secs Computing kpt #: 287 total cpu time spent up to now is 181.5 secs Computing kpt #: 288 total cpu time spent up to now is 182.1 secs Computing kpt #: 289 total cpu time spent up to now is 182.7 secs Computing kpt #: 290 total cpu time spent up to now is 183.4 secs Computing kpt #: 291 total cpu time spent up to now is 184.0 secs Computing kpt #: 292 total cpu time spent up to now is 184.6 secs Computing kpt #: 293 total cpu time spent up to now is 185.2 secs Computing kpt #: 294 total cpu time spent up to now is 185.8 secs Computing kpt #: 295 total cpu time spent up to now is 186.4 secs Computing kpt #: 296 total cpu time spent up to now is 187.0 secs Computing kpt #: 297 total cpu time spent up to now is 187.6 secs Computing kpt #: 298 total cpu time spent up to now is 188.2 secs Computing kpt #: 299 total cpu time spent up to now is 188.8 secs Computing kpt #: 300 total cpu time spent up to now is 189.4 secs Computing kpt #: 301 total cpu time spent up to now is 190.0 secs Computing kpt #: 302 total cpu time spent up to now is 190.6 secs Computing kpt #: 303 total cpu time spent up to now is 191.2 secs Computing kpt #: 304 total cpu time spent up to now is 191.7 secs Computing kpt #: 305 total cpu time spent up to now is 192.2 secs Computing kpt #: 306 total cpu time spent up to now is 192.8 secs Computing kpt #: 307 total cpu time spent up to now is 193.3 secs Computing kpt #: 308 total cpu time spent up to now is 193.8 secs Computing kpt #: 309 total cpu time spent up to now is 194.4 secs Computing kpt #: 310 total cpu time spent up to now is 195.0 secs Computing kpt #: 311 total cpu time spent up to now is 195.5 secs Computing kpt #: 312 total cpu time spent up to now is 196.0 secs Computing kpt #: 313 total cpu time spent up to now is 196.6 secs Computing kpt #: 314 total cpu time spent up to now is 197.3 secs Computing kpt #: 315 total cpu time spent up to now is 197.9 secs Computing kpt #: 316 total cpu time spent up to now is 198.5 secs Computing kpt #: 317 total cpu time spent up to now is 199.2 secs Computing kpt #: 318 total cpu time spent up to now is 199.9 secs Computing kpt #: 319 total cpu time spent up to now is 200.6 secs Computing kpt #: 320 total cpu time spent up to now is 201.3 secs Computing kpt #: 321 total cpu time spent up to now is 202.0 secs Computing kpt #: 322 total cpu time spent up to now is 202.7 secs Computing kpt #: 323 total cpu time spent up to now is 203.5 secs Computing kpt #: 324 total cpu time spent up to now is 204.2 secs Computing kpt #: 325 total cpu time spent up to now is 205.0 secs Computing kpt #: 326 total cpu time spent up to now is 205.7 secs Computing kpt #: 327 total cpu time spent up to now is 206.5 secs Computing kpt #: 328 total cpu time spent up to now is 207.2 secs Computing kpt #: 329 total cpu time spent up to now is 208.0 secs Computing kpt #: 330 total cpu time spent up to now is 208.8 secs Computing kpt #: 331 total cpu time spent up to now is 209.5 secs Computing kpt #: 332 total cpu time spent up to now is 210.3 secs Computing kpt #: 333 total cpu time spent up to now is 211.1 secs Computing kpt #: 334 total cpu time spent up to now is 211.8 secs Computing kpt #: 335 total cpu time spent up to now is 212.6 secs Computing kpt #: 336 total cpu time spent up to now is 213.4 secs Computing kpt #: 337 total cpu time spent up to now is 214.1 secs Computing kpt #: 338 total cpu time spent up to now is 214.9 secs Computing kpt #: 339 total cpu time spent up to now is 215.7 secs Computing kpt #: 340 total cpu time spent up to now is 216.4 secs Computing kpt #: 341 total cpu time spent up to now is 217.2 secs Computing kpt #: 342 total cpu time spent up to now is 217.9 secs Computing kpt #: 343 total cpu time spent up to now is 218.7 secs Computing kpt #: 344 total cpu time spent up to now is 219.4 secs Computing kpt #: 345 total cpu time spent up to now is 220.1 secs Computing kpt #: 346 total cpu time spent up to now is 220.9 secs Computing kpt #: 347 total cpu time spent up to now is 221.6 secs Computing kpt #: 348 total cpu time spent up to now is 222.3 secs Computing kpt #: 349 total cpu time spent up to now is 223.1 secs Computing kpt #: 350 total cpu time spent up to now is 223.9 secs Computing kpt #: 351 total cpu time spent up to now is 224.6 secs Computing kpt #: 352 total cpu time spent up to now is 225.4 secs Computing kpt #: 353 total cpu time spent up to now is 226.2 secs Computing kpt #: 354 total cpu time spent up to now is 227.0 secs Computing kpt #: 355 total cpu time spent up to now is 227.7 secs Computing kpt #: 356 total cpu time spent up to now is 228.4 secs Computing kpt #: 357 total cpu time spent up to now is 229.2 secs Computing kpt #: 358 total cpu time spent up to now is 229.9 secs Computing kpt #: 359 total cpu time spent up to now is 230.6 secs Computing kpt #: 360 total cpu time spent up to now is 231.3 secs Computing kpt #: 361 total cpu time spent up to now is 231.9 secs Computing kpt #: 362 total cpu time spent up to now is 232.7 secs Computing kpt #: 363 total cpu time spent up to now is 233.4 secs Computing kpt #: 364 total cpu time spent up to now is 234.1 secs Computing kpt #: 365 total cpu time spent up to now is 234.8 secs Computing kpt #: 366 total cpu time spent up to now is 235.5 secs Computing kpt #: 367 total cpu time spent up to now is 236.2 secs Computing kpt #: 368 total cpu time spent up to now is 236.9 secs Computing kpt #: 369 total cpu time spent up to now is 237.7 secs Computing kpt #: 370 total cpu time spent up to now is 238.4 secs Computing kpt #: 371 total cpu time spent up to now is 239.1 secs Computing kpt #: 372 total cpu time spent up to now is 239.7 secs Computing kpt #: 373 total cpu time spent up to now is 240.4 secs Computing kpt #: 374 total cpu time spent up to now is 241.0 secs Computing kpt #: 375 total cpu time spent up to now is 241.7 secs Computing kpt #: 376 total cpu time spent up to now is 242.3 secs Computing kpt #: 377 total cpu time spent up to now is 243.0 secs Computing kpt #: 378 total cpu time spent up to now is 243.6 secs Computing kpt #: 379 total cpu time spent up to now is 244.2 secs Computing kpt #: 380 total cpu time spent up to now is 244.9 secs Computing kpt #: 381 total cpu time spent up to now is 245.6 secs Computing kpt #: 382 total cpu time spent up to now is 246.3 secs Computing kpt #: 383 total cpu time spent up to now is 247.0 secs Computing kpt #: 384 total cpu time spent up to now is 247.8 secs Computing kpt #: 385 total cpu time spent up to now is 248.5 secs Computing kpt #: 386 total cpu time spent up to now is 249.3 secs Computing kpt #: 387 total cpu time spent up to now is 250.0 secs Computing kpt #: 388 total cpu time spent up to now is 250.8 secs Computing kpt #: 389 total cpu time spent up to now is 251.6 secs Computing kpt #: 390 total cpu time spent up to now is 252.5 secs Computing kpt #: 391 total cpu time spent up to now is 253.3 secs Computing kpt #: 392 total cpu time spent up to now is 254.1 secs Computing kpt #: 393 total cpu time spent up to now is 255.0 secs Computing kpt #: 394 total cpu time spent up to now is 255.8 secs Computing kpt #: 395 total cpu time spent up to now is 256.6 secs Computing kpt #: 396 total cpu time spent up to now is 257.5 secs Computing kpt #: 397 total cpu time spent up to now is 258.3 secs Computing kpt #: 398 total cpu time spent up to now is 259.1 secs Computing kpt #: 399 total cpu time spent up to now is 260.0 secs Computing kpt #: 400 total cpu time spent up to now is 260.8 secs Computing kpt #: 401 total cpu time spent up to now is 261.5 secs Computing kpt #: 402 total cpu time spent up to now is 262.3 secs Computing kpt #: 403 total cpu time spent up to now is 263.0 secs Computing kpt #: 404 total cpu time spent up to now is 263.7 secs Computing kpt #: 405 total cpu time spent up to now is 264.3 secs Computing kpt #: 406 total cpu time spent up to now is 264.8 secs Computing kpt #: 407 total cpu time spent up to now is 265.4 secs Computing kpt #: 408 total cpu time spent up to now is 266.0 secs Computing kpt #: 409 total cpu time spent up to now is 266.6 secs Computing kpt #: 410 total cpu time spent up to now is 267.2 secs Computing kpt #: 411 total cpu time spent up to now is 267.9 secs Computing kpt #: 412 total cpu time spent up to now is 268.5 secs Computing kpt #: 413 total cpu time spent up to now is 269.1 secs Computing kpt #: 414 total cpu time spent up to now is 269.7 secs Computing kpt #: 415 total cpu time spent up to now is 270.3 secs Computing kpt #: 416 total cpu time spent up to now is 271.0 secs Computing kpt #: 417 total cpu time spent up to now is 271.6 secs Computing kpt #: 418 total cpu time spent up to now is 272.2 secs Computing kpt #: 419 total cpu time spent up to now is 272.8 secs Computing kpt #: 420 total cpu time spent up to now is 273.5 secs Computing kpt #: 421 total cpu time spent up to now is 274.1 secs Computing kpt #: 422 total cpu time spent up to now is 274.8 secs Computing kpt #: 423 total cpu time spent up to now is 275.4 secs Computing kpt #: 424 total cpu time spent up to now is 276.1 secs Computing kpt #: 425 total cpu time spent up to now is 276.7 secs Computing kpt #: 426 total cpu time spent up to now is 277.4 secs Computing kpt #: 427 total cpu time spent up to now is 278.1 secs Computing kpt #: 428 total cpu time spent up to now is 278.8 secs Computing kpt #: 429 total cpu time spent up to now is 279.4 secs Computing kpt #: 430 total cpu time spent up to now is 280.0 secs Computing kpt #: 431 total cpu time spent up to now is 280.6 secs Computing kpt #: 432 total cpu time spent up to now is 281.2 secs Computing kpt #: 433 total cpu time spent up to now is 281.7 secs Computing kpt #: 434 total cpu time spent up to now is 282.2 secs Computing kpt #: 435 total cpu time spent up to now is 282.7 secs Computing kpt #: 436 total cpu time spent up to now is 283.2 secs Computing kpt #: 437 total cpu time spent up to now is 283.8 secs Computing kpt #: 438 total cpu time spent up to now is 284.3 secs Computing kpt #: 439 total cpu time spent up to now is 284.8 secs Computing kpt #: 440 total cpu time spent up to now is 285.4 secs Computing kpt #: 441 total cpu time spent up to now is 285.9 secs Computing kpt #: 442 total cpu time spent up to now is 286.4 secs Computing kpt #: 443 total cpu time spent up to now is 287.0 secs Computing kpt #: 444 total cpu time spent up to now is 287.5 secs Computing kpt #: 445 total cpu time spent up to now is 288.1 secs Computing kpt #: 446 total cpu time spent up to now is 288.6 secs Computing kpt #: 447 total cpu time spent up to now is 289.2 secs Computing kpt #: 448 total cpu time spent up to now is 289.7 secs Computing kpt #: 449 total cpu time spent up to now is 290.2 secs Computing kpt #: 450 total cpu time spent up to now is 290.8 secs Computing kpt #: 451 total cpu time spent up to now is 291.3 secs Computing kpt #: 452 total cpu time spent up to now is 291.9 secs Computing kpt #: 453 total cpu time spent up to now is 292.6 secs Computing kpt #: 454 total cpu time spent up to now is 293.2 secs Computing kpt #: 455 total cpu time spent up to now is 293.8 secs Computing kpt #: 456 total cpu time spent up to now is 294.4 secs Computing kpt #: 457 total cpu time spent up to now is 295.0 secs Computing kpt #: 458 total cpu time spent up to now is 295.6 secs Computing kpt #: 459 total cpu time spent up to now is 296.2 secs Computing kpt #: 460 total cpu time spent up to now is 296.9 secs ethr = 2.78E-11, avg # of iterations = 26.4 total cpu time spent up to now is 296.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0457 -4.0457 -1.5123 -1.5123 -0.5471 -0.5471 -0.0672 -0.0672 4.0916 4.0916 5.0327 5.0327 6.2746 6.2746 6.7835 6.7835 7.1076 7.1076 7.6701 7.6701 8.7369 8.7369 9.1041 9.1041 9.2804 9.2804 9.2901 9.2901 9.7503 9.7503 10.1111 10.1111 10.1389 10.1389 10.2250 10.2250 11.9648 11.9648 12.8612 12.8612 14.4851 14.4851 15.0422 15.0422 k = 0.0091-0.0000-0.0000 ( 3235 PWs) bands (ev): -4.0443 -4.0443 -1.5111 -1.5111 -0.5459 -0.5459 -0.0661 -0.0661 4.0931 4.0931 5.0340 5.0340 6.2749 6.2749 6.7848 6.7848 7.1081 7.1081 7.6707 7.6707 8.7362 8.7362 9.1040 9.1040 9.2802 9.2802 9.2898 9.2898 9.7502 9.7502 10.1102 10.1102 10.1382 10.1382 10.2244 10.2244 11.9641 11.9641 12.8495 12.8495 14.4839 14.4839 15.0321 15.0321 k = 0.0182-0.0000-0.0000 ( 3231 PWs) bands (ev): -4.0402 -4.0402 -1.5076 -1.5076 -0.5423 -0.5423 -0.0628 -0.0628 4.0977 4.0977 5.0376 5.0376 6.2760 6.2760 6.7886 6.7886 7.1095 7.1095 7.6724 7.6724 8.7336 8.7336 9.1038 9.1038 9.2795 9.2795 9.2889 9.2889 9.7501 9.7501 10.1075 10.1075 10.1363 10.1363 10.2224 10.2224 11.9621 11.9621 12.8152 12.8152 14.4800 14.4800 14.9992 14.9992 k = 0.0273-0.0000-0.0000 ( 3233 PWs) bands (ev): -4.0333 -4.0333 -1.5017 -1.5017 -0.5364 -0.5364 -0.0572 -0.0572 4.1054 4.1054 5.0438 5.0438 6.2777 6.2777 6.7950 6.7950 7.1120 7.1120 7.6753 7.6753 8.7293 8.7293 9.1035 9.1035 9.2783 9.2783 9.2874 9.2874 9.7498 9.7498 10.1027 10.1027 10.1334 10.1334 10.2190 10.2190 11.9584 11.9584 12.7598 12.7598 14.4724 14.4724 14.9416 14.9416 k = 0.0364-0.0000-0.0000 ( 3233 PWs) bands (ev): -4.0236 -4.0236 -1.4934 -1.4934 -0.5280 -0.5280 -0.0494 -0.0494 4.1161 4.1161 5.0523 5.0523 6.2801 6.2801 6.8040 6.8040 7.1153 7.1153 7.6792 7.6792 8.7229 8.7229 9.1030 9.1030 9.2767 9.2767 9.2852 9.2852 9.7493 9.7493 10.0956 10.0956 10.1297 10.1297 10.2144 10.2144 11.9527 11.9527 12.6860 12.6860 14.4590 14.4590 14.8644 14.8644 k = 0.0455-0.0000-0.0000 ( 3239 PWs) bands (ev): -4.0112 -4.0112 -1.4828 -1.4828 -0.5173 -0.5173 -0.0395 -0.0395 4.1298 4.1298 5.0633 5.0633 6.2831 6.2831 6.8155 6.8155 7.1196 7.1196 7.6843 7.6843 8.7144 8.7144 9.1023 9.1023 9.2745 9.2745 9.2823 9.2823 9.7487 9.7487 10.0860 10.0860 10.1254 10.1254 10.2085 10.2085 11.9439 11.9439 12.5974 12.5974 14.4353 14.4353 14.7766 14.7766 k = 0.0545-0.0000-0.0000 ( 3247 PWs) bands (ev): -3.9960 -3.9960 -1.4698 -1.4698 -0.5043 -0.5043 -0.0273 -0.0273 4.1466 4.1466 5.0767 5.0767 6.2867 6.2867 6.8295 6.8295 7.1249 7.1249 7.6904 7.6904 8.7032 8.7032 9.1012 9.1012 9.2719 9.2719 9.2788 9.2788 9.7479 9.7479 10.0736 10.0736 10.1206 10.1206 10.2014 10.2014 11.9306 11.9306 12.4987 12.4987 14.3926 14.3926 14.6901 14.6901 k = 0.0636-0.0000-0.0000 ( 3251 PWs) bands (ev): -3.9780 -3.9780 -1.4545 -1.4545 -0.4888 -0.4888 -0.0130 -0.0130 4.1663 4.1663 5.0925 5.0925 6.2909 6.2909 6.8459 6.8459 7.1310 7.1310 7.6976 7.6976 8.6891 8.6891 9.0997 9.0997 9.2689 9.2689 9.2745 9.2745 9.7469 9.7469 10.0587 10.0587 10.1151 10.1151 10.1931 10.1931 11.9097 11.9097 12.3958 12.3958 14.3194 14.3194 14.6180 14.6180 k = 0.0727-0.0000-0.0000 ( 3251 PWs) bands (ev): -3.9573 -3.9573 -1.4369 -1.4369 -0.4710 -0.4710 0.0036 0.0036 4.1891 4.1891 5.1108 5.1108 6.2956 6.2956 6.8647 6.8647 7.1379 7.1379 7.7059 7.7059 8.6716 8.6716 9.0977 9.0977 9.2654 9.2654 9.2693 9.2693 9.7458 9.7458 10.0414 10.0414 10.1088 10.1088 10.1838 10.1838 11.8762 11.8762 12.2970 12.2970 14.2119 14.2119 14.5650 14.5650 k = 0.0818-0.0000-0.0000 ( 3259 PWs) bands (ev): -3.9339 -3.9339 -1.4171 -1.4171 -0.4509 -0.4509 0.0222 0.0222 4.2149 4.2149 5.1314 5.1314 6.3008 6.3008 6.8859 6.8859 7.1456 7.1456 7.7153 7.7153 8.6499 8.6499 9.0950 9.0950 9.2614 9.2614 9.2633 9.2633 9.7444 9.7444 10.0216 10.0216 10.1013 10.1013 10.1734 10.1734 11.8228 11.8228 12.2126 12.2126 14.0786 14.0786 14.5230 14.5230 k = 0.0909-0.0000-0.0000 ( 3257 PWs) bands (ev): -3.9078 -3.9078 -1.3949 -1.3949 -0.4284 -0.4284 0.0431 0.0431 4.2437 4.2437 5.1544 5.1544 6.3064 6.3064 6.9094 6.9094 7.1541 7.1541 7.7257 7.7257 8.6234 8.6234 9.0915 9.0915 9.2556 9.2556 9.2577 9.2577 9.7429 9.7429 9.9998 9.9998 10.0928 10.0928 10.1621 10.1621 11.7447 11.7447 12.1503 12.1503 13.9287 13.9287 14.4822 14.4822 k = 0.1000-0.0000-0.0000 ( 3261 PWs) bands (ev): -3.8789 -3.8789 -1.3706 -1.3706 -0.4037 -0.4037 0.0661 0.0661 4.2754 4.2754 5.1797 5.1797 6.3123 6.3123 6.9352 6.9352 7.1633 7.1633 7.7371 7.7371 8.5911 8.5911 9.0869 9.0869 9.2474 9.2474 9.2527 9.2527 9.7409 9.7409 9.9760 9.9760 10.0828 10.0828 10.1498 10.1498 11.6454 11.6454 12.1093 12.1093 13.7685 13.7685 14.4357 14.4357 k = 0.1091-0.0000-0.0000 ( 3267 PWs) bands (ev): -3.8473 -3.8473 -1.3440 -1.3440 -0.3766 -0.3766 0.0911 0.0911 4.3101 4.3101 5.2074 5.2074 6.3185 6.3185 6.9630 6.9630 7.1732 7.1732 7.7494 7.7494 8.5523 8.5523 9.0811 9.0811 9.2376 9.2376 9.2475 9.2475 9.7388 9.7388 9.9504 9.9504 10.0712 10.0712 10.1366 10.1366 11.5340 11.5340 12.0832 12.0832 13.6016 13.6016 14.3788 14.3788 k = 0.1182-0.0000-0.0000 ( 3255 PWs) bands (ev): -3.8130 -3.8130 -1.3153 -1.3153 -0.3473 -0.3473 0.1183 0.1183 4.3476 4.3476 5.2373 5.2373 6.3249 6.3249 6.9929 6.9929 7.1837 7.1837 7.7627 7.7627 8.5060 8.5060 9.0738 9.0738 9.2262 9.2262 9.2420 9.2420 9.7364 9.7364 9.9233 9.9233 10.0581 10.0581 10.1228 10.1228 11.4188 11.4188 12.0661 12.0661 13.4306 13.4306 14.3085 14.3085 k = 0.1273-0.0000-0.0000 ( 3254 PWs) bands (ev): -3.7760 -3.7760 -1.2845 -1.2845 -0.3157 -0.3157 0.1475 0.1475 4.3881 4.3881 5.2695 5.2695 6.3315 6.3315 7.0247 7.0247 7.1946 7.1946 7.7768 7.7768 8.4509 8.4509 9.0646 9.0646 9.2127 9.2127 9.2361 9.2361 9.7336 9.7336 9.8948 9.8948 10.0434 10.0434 10.1081 10.1081 11.3056 11.3056 12.0542 12.0542 13.2575 13.2575 14.2234 14.2234 k = 0.1364-0.0000-0.0000 ( 3254 PWs) bands (ev): -3.7364 -3.7364 -1.2516 -1.2516 -0.2818 -0.2818 0.1788 0.1788 4.4314 4.4314 5.3039 5.3039 6.3380 6.3380 7.0582 7.0582 7.2061 7.2061 7.7917 7.7917 8.3863 8.3863 9.0530 9.0530 9.1968 9.1968 9.2297 9.2297 9.7306 9.7306 9.8654 9.8654 10.0272 10.0272 10.0926 10.0926 11.1985 11.1985 12.0454 12.0454 13.0839 13.0839 14.1242 14.1242 k = 0.1455-0.0000-0.0000 ( 3248 PWs) bands (ev): -3.6941 -3.6941 -1.2167 -1.2167 -0.2458 -0.2458 0.2120 0.2120 4.4775 4.4775 5.3405 5.3405 6.3444 6.3444 7.0933 7.0933 7.2179 7.2179 7.8075 7.8075 8.3113 8.3113 9.0387 9.0387 9.1781 9.1781 9.2232 9.2232 9.7271 9.7271 9.8356 9.8356 10.0095 10.0095 10.0763 10.0763 11.1000 11.1000 12.0385 12.0385 12.9114 12.9114 14.0132 14.0132 k = 0.1545-0.0000-0.0000 ( 3254 PWs) bands (ev): -3.6491 -3.6491 -1.1799 -1.1799 -0.2076 -0.2076 0.2472 0.2472 4.5264 4.5264 5.3792 5.3792 6.3507 6.3507 7.1298 7.1298 7.2301 7.2301 7.8241 7.8241 8.2253 8.2253 9.0210 9.0210 9.1558 9.1558 9.2163 9.2163 9.7232 9.7232 9.8058 9.8058 9.9907 9.9907 10.0593 10.0593 11.0116 11.0116 12.0329 12.0329 12.7414 12.7414 13.8933 13.8933 k = 0.1636-0.0000-0.0000 ( 3262 PWs) bands (ev): -3.6015 -3.6015 -1.1412 -1.1412 -0.1672 -0.1672 0.2843 0.2843 4.5781 4.5781 5.4199 5.4199 6.3566 6.3566 7.1675 7.1675 7.2425 7.2425 7.8413 7.8413 8.1285 8.1285 8.9993 8.9993 9.1296 9.1296 9.2093 9.2093 9.7187 9.7187 9.7767 9.7767 9.9708 9.9708 10.0420 10.0420 10.9341 10.9341 12.0280 12.0280 12.5750 12.5750 13.7679 13.7679 k = 0.1727-0.0000-0.0000 ( 3266 PWs) bands (ev): -3.5513 -3.5513 -1.1006 -1.1006 -0.1247 -0.1247 0.3233 0.3233 4.6324 4.6324 5.4626 5.4626 6.3621 6.3621 7.2059 7.2059 7.2550 7.2550 7.8592 7.8592 8.0209 8.0209 8.9729 8.9729 9.0988 9.0988 9.2024 9.2024 9.7130 9.7130 9.7495 9.7495 9.9501 9.9501 10.0247 10.0247 10.8675 10.8675 12.0236 12.0236 12.4136 12.4136 13.6400 13.6400 k = 0.1818-0.0000-0.0000 ( 3270 PWs) bands (ev): -3.4985 -3.4985 -1.0584 -1.0584 -0.0802 -0.0802 0.3642 0.3642 4.6894 4.6894 5.5072 5.5072 6.3672 6.3672 7.2445 7.2445 7.2680 7.2680 7.8772 7.8772 7.9038 7.9038 8.9415 8.9415 9.0628 9.0628 9.1956 9.1956 9.7039 9.7039 9.7269 9.7269 9.9285 9.9285 10.0080 10.0080 10.8114 10.8114 12.0193 12.0193 12.2586 12.2586 13.5122 13.5122 k = 0.1909-0.0000-0.0000 ( 3264 PWs) bands (ev): -3.4431 -3.4431 -1.0145 -1.0145 -0.0336 -0.0336 0.4068 0.4068 4.7490 4.7490 5.5535 5.5535 6.3715 6.3715 7.2761 7.2761 7.2877 7.2877 7.7764 7.7764 7.8972 7.8972 8.9041 8.9041 9.0211 9.0211 9.1890 9.1890 9.6872 9.6872 9.7137 9.7137 9.9057 9.9057 9.9928 9.9928 10.7648 10.7648 12.0137 12.0137 12.1123 12.1123 13.3864 13.3864 k = 0.2000-0.0000-0.0000 ( 3256 PWs) bands (ev): -3.3852 -3.3852 -0.9691 -0.9691 0.0150 0.0150 0.4511 0.4511 4.8112 4.8112 5.6014 5.6014 6.3751 6.3751 7.2897 7.2897 7.3244 7.3244 7.6426 7.6426 7.9169 7.9169 8.8607 8.8607 8.9733 8.9733 9.1826 9.1826 9.6667 9.6667 9.7062 9.7062 9.8815 9.8815 9.9795 9.9795 10.7266 10.7266 11.9616 11.9616 12.0209 12.0209 13.2643 13.2643 k = 0.2091-0.0000-0.0000 ( 3262 PWs) bands (ev): -3.3248 -3.3248 -0.9222 -0.9222 0.0656 0.0656 0.4971 0.4971 4.8758 4.8758 5.6506 5.6506 6.3777 6.3777 7.2994 7.2994 7.3617 7.3617 7.5042 7.5042 7.9372 7.9372 8.8107 8.8107 8.9193 8.9193 9.1765 9.1765 9.6469 9.6469 9.6998 9.6998 9.8554 9.8554 9.9687 9.9687 10.6957 10.6957 11.8351 11.8351 12.0132 12.0132 13.1473 13.1473 k = 0.2182-0.0000-0.0000 ( 3264 PWs) bands (ev): -3.2619 -3.2619 -0.8742 -0.8742 0.1180 0.1180 0.5447 0.5447 4.9428 4.9428 5.7009 5.7009 6.3793 6.3793 7.2942 7.2942 7.3732 7.3732 7.3993 7.3993 7.9579 7.9579 8.7545 8.7545 8.8590 8.8590 9.1705 9.1705 9.6292 9.6292 9.6936 9.6936 9.8273 9.8273 9.9607 9.9607 10.6709 10.6709 11.7144 11.7144 12.0094 12.0094 13.0365 13.0365 k = 0.2273-0.0000-0.0000 ( 3270 PWs) bands (ev): -3.1966 -3.1966 -0.8249 -0.8249 0.1722 0.1722 0.5938 0.5938 5.0121 5.0121 5.7518 5.7518 6.3797 6.3797 7.1913 7.1913 7.3396 7.3396 7.4305 7.4305 7.9792 7.9792 8.6924 8.6924 8.7927 8.7927 9.1645 9.1645 9.6137 9.6137 9.6867 9.6867 9.7975 9.7975 9.9555 9.9555 10.6514 10.6514 11.6034 11.6034 12.0062 12.0062 12.9327 12.9327 k = 0.2364-0.0000-0.0000 ( 3270 PWs) bands (ev): -3.1288 -3.1288 -0.7748 -0.7748 0.2282 0.2282 0.6443 0.6443 5.0836 5.0836 5.8024 5.8024 6.3786 6.3786 7.0463 7.0463 7.3454 7.3454 7.4583 7.4583 8.0009 8.0009 8.6257 8.6257 8.7210 8.7210 9.1585 9.1585 9.6001 9.6001 9.6786 9.6786 9.7667 9.7667 9.9530 9.9530 10.6364 10.6364 11.5030 11.5030 12.0033 12.0033 12.8365 12.8365 k = 0.2455-0.0000-0.0000 ( 3268 PWs) bands (ev): -3.0586 -3.0586 -0.7238 -0.7238 0.2859 0.2859 0.6962 0.6962 5.1572 5.1572 5.8515 5.8515 6.3760 6.3760 6.8994 6.8994 7.3537 7.3537 7.4796 7.4796 8.0228 8.0228 8.5560 8.5560 8.6446 8.6446 9.1522 9.1522 9.5882 9.5882 9.6675 9.6675 9.7366 9.7366 9.9529 9.9529 10.6250 10.6250 11.4131 11.4131 12.0005 12.0005 12.7486 12.7486 k = 0.2545-0.0000-0.0000 ( 3264 PWs) bands (ev): -2.9862 -2.9862 -0.6723 -0.6723 0.3452 0.3452 0.7493 0.7493 5.2326 5.2326 5.8968 5.8968 6.3714 6.3714 6.7571 6.7571 7.3617 7.3617 7.4915 7.4915 8.0448 8.0448 8.4856 8.4856 8.5647 8.5647 9.1453 9.1453 9.5776 9.5776 9.6500 9.6500 9.7109 9.7109 9.9549 9.9549 10.6170 10.6170 11.3337 11.3337 11.9978 11.9978 12.6690 12.6690 k = 0.2636-0.0000-0.0000 ( 3258 PWs) bands (ev): -2.9114 -2.9114 -0.6205 -0.6205 0.4060 0.4060 0.8035 0.8035 5.3094 5.3094 5.9333 5.9333 6.3641 6.3641 6.6265 6.6265 7.3684 7.3684 7.4910 7.4910 8.0663 8.0663 8.4166 8.4166 8.4839 8.4839 9.1373 9.1373 9.5677 9.5677 9.6233 9.6233 9.6933 9.6933 9.9587 9.9587 10.6116 10.6116 11.2643 11.2643 11.9952 11.9952 12.5975 12.5975 k = 0.2727-0.0000-0.0000 ( 3250 PWs) bands (ev): -2.8344 -2.8344 -0.5686 -0.5686 0.4682 0.4682 0.8587 0.8587 5.3871 5.3871 5.9517 5.9517 6.3534 6.3534 6.5193 6.5193 7.3729 7.3729 7.4747 7.4747 8.0864 8.0864 8.3484 8.3484 8.4089 8.4089 9.1276 9.1276 9.5566 9.5566 9.5912 9.5912 9.6820 9.6820 9.9640 9.9640 10.6087 10.6087 11.2044 11.2044 11.9927 11.9927 12.5271 12.5271 k = 0.2818-0.0000-0.0000 ( 3250 PWs) bands (ev): -2.7552 -2.7552 -0.5169 -0.5169 0.5317 0.5317 0.9148 0.9148 5.4643 5.4643 5.9374 5.9374 6.3399 6.3399 6.4515 6.4515 7.3730 7.3730 7.4409 7.4409 8.1033 8.1033 8.2739 8.2739 8.3527 8.3527 9.1156 9.1156 9.5361 9.5361 9.5655 9.5655 9.6738 9.6738 9.9705 9.9705 10.6078 10.6078 11.1532 11.1532 11.9904 11.9904 12.4420 12.4420 k = 0.2909-0.0000-0.0000 ( 3246 PWs) bands (ev): -2.6739 -2.6739 -0.4658 -0.4658 0.5964 0.5964 0.9716 0.9716 5.5368 5.5368 5.8839 5.8839 6.3306 6.3306 6.4274 6.4274 7.3572 7.3572 7.3987 7.3987 8.1132 8.1132 8.1944 8.1944 8.3214 8.3214 9.1002 9.1002 9.5019 9.5019 9.5532 9.5532 9.6673 9.6673 9.9779 9.9779 10.6089 10.6089 11.1100 11.1100 11.9882 11.9882 12.3613 12.3613 k = 0.3000-0.0000-0.0000 ( 3250 PWs) bands (ev): -2.5905 -2.5905 -0.4156 -0.4156 0.6621 0.6621 1.0289 1.0289 5.5875 5.5875 5.8182 5.8182 6.3250 6.3250 6.4380 6.4380 7.2935 7.2935 7.3794 7.3794 8.0887 8.0887 8.1429 8.1429 8.3111 8.3111 9.0803 9.0803 9.4651 9.4651 9.5450 9.5450 9.6618 9.6618 9.9860 9.9860 10.6115 10.6115 11.0740 11.0740 11.9862 11.9862 12.2906 12.2906 k = 0.3091-0.0000-0.0000 ( 3252 PWs) bands (ev): -2.5052 -2.5052 -0.3667 -0.3667 0.7287 0.7287 1.0866 1.0866 5.5644 5.5644 5.8098 5.8098 6.3158 6.3158 6.4738 6.4738 7.2013 7.2013 7.3646 7.3646 8.0152 8.0152 8.1398 8.1398 8.3156 8.3156 9.0545 9.0545 9.4305 9.4305 9.5379 9.5379 9.6575 9.6575 9.9945 9.9945 10.6158 10.6158 11.0443 11.0443 11.9845 11.9845 12.2307 12.2307 k = 0.3182-0.0000-0.0000 ( 3252 PWs) bands (ev): -2.4179 -2.4179 -0.3197 -0.3197 0.7960 0.7960 1.1445 1.1445 5.4694 5.4694 5.8680 5.8680 6.3027 6.3027 6.5245 6.5245 7.0936 7.0936 7.3422 7.3422 7.9419 7.9419 8.1421 8.1421 8.3288 8.3288 9.0219 9.0219 9.4001 9.4001 9.5308 9.5308 9.6544 9.6544 10.0031 10.0031 10.6216 10.6216 11.0203 11.0203 11.9830 11.9830 12.1814 12.1814 k = 0.3273-0.0000-0.0000 ( 3256 PWs) bands (ev): -2.3289 -2.3289 -0.2749 -0.2749 0.8639 0.8639 1.2023 1.2023 5.3534 5.3534 5.9478 5.9478 6.2865 6.2865 6.5832 6.5832 6.9751 6.9751 7.3083 7.3083 7.8785 7.8785 8.1449 8.1449 8.3458 8.3458 8.9822 8.9822 9.3751 9.3751 9.5238 9.5238 9.6527 9.6527 10.0117 10.0117 10.6288 10.6288 11.0011 11.0011 11.9819 11.9819 12.1427 12.1427 k = 0.3364-0.0000-0.0000 ( 3244 PWs) bands (ev): -2.2382 -2.2382 -0.2330 -0.2330 0.9321 0.9321 1.2599 1.2599 5.2343 5.2343 6.0347 6.0347 6.2683 6.2683 6.6458 6.6458 6.8499 6.8499 7.2609 7.2609 7.8283 7.8283 8.1480 8.1480 8.3631 8.3631 8.9357 8.9357 9.3556 9.3556 9.5167 9.5167 9.6529 9.6529 10.0201 10.0201 10.6373 10.6373 10.9862 10.9862 11.9812 11.9812 12.1142 12.1142 k = 0.3455-0.0000-0.0000 ( 3240 PWs) bands (ev): -2.1459 -2.1459 -0.1945 -0.1945 1.0004 1.0004 1.3169 1.3169 5.1178 5.1178 6.1247 6.1247 6.2485 6.2485 6.6899 6.6899 6.7411 6.7411 7.1996 7.1996 7.7922 7.7922 8.1506 8.1506 8.3784 8.3784 8.8837 8.8837 9.3411 9.3411 9.5092 9.5092 9.6553 9.6553 10.0280 10.0280 10.6471 10.6471 10.9748 10.9748 11.9809 11.9809 12.0956 12.0956 k = 0.3545-0.0000-0.0000 ( 3242 PWs) bands (ev): -2.0521 -2.0521 -0.1600 -0.1600 1.0687 1.0687 1.3730 1.3730 5.0067 5.0067 6.2111 6.2111 6.2325 6.2325 6.5761 6.5761 6.7888 6.7888 7.1269 7.1269 7.7690 7.7690 8.1525 8.1525 8.3900 8.3900 8.8276 8.8276 9.3306 9.3306 9.5014 9.5014 9.6601 9.6601 10.0354 10.0354 10.6580 10.6580 10.9664 10.9664 11.9811 11.9811 12.0864 12.0864 k = 0.3636-0.0000-0.0000 ( 3242 PWs) bands (ev): -1.9570 -1.9570 -0.1301 -0.1301 1.1365 1.1365 1.4280 1.4280 4.9026 4.9026 6.2021 6.2021 6.3101 6.3101 6.4420 6.4420 6.8580 6.8580 7.0459 7.0459 7.7561 7.7561 8.1530 8.1530 8.3965 8.3965 8.7687 8.7687 9.3235 9.3235 9.4933 9.4933 9.6677 9.6677 10.0420 10.0420 10.6700 10.6700 10.9605 10.9605 11.9820 11.9820 12.0860 12.0860 k = 0.3727-0.0000-0.0000 ( 3252 PWs) bands (ev): -1.8607 -1.8607 -0.1056 -0.1056 1.2035 1.2035 1.4815 1.4815 4.8070 4.8070 6.1786 6.1786 6.2967 6.2967 6.4109 6.4109 6.9288 6.9288 6.9605 6.9605 7.7509 7.7509 8.1519 8.1519 8.3970 8.3970 8.7084 8.7084 9.3188 9.3188 9.4848 9.4848 9.6782 9.6782 10.0477 10.0477 10.6831 10.6831 10.9565 10.9565 11.9837 11.9837 12.0939 12.0939 k = 0.3818-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.7634 -1.7634 -0.0871 -0.0871 1.2696 1.2696 1.5332 1.5332 4.7210 4.7210 6.1534 6.1534 6.1620 6.1620 6.5014 6.5014 6.8741 6.8741 7.0005 7.0005 7.7516 7.7516 8.1487 8.1487 8.3907 8.3907 8.6478 8.6478 9.3161 9.3161 9.4762 9.4762 9.6917 9.6917 10.0525 10.0525 10.6973 10.6973 10.9541 10.9541 11.9863 11.9863 12.1096 12.1096 k = 0.3909-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.6653 -1.6653 -0.0753 -0.0753 1.3343 1.3343 1.5827 1.5827 4.6454 4.6454 6.0240 6.0240 6.1299 6.1299 6.5882 6.5882 6.7937 6.7937 7.0722 7.0722 7.7566 7.7566 8.1433 8.1433 8.3773 8.3773 8.5876 8.5876 9.3151 9.3151 9.4673 9.4673 9.7081 9.7081 10.0561 10.0561 10.7124 10.7124 10.9529 10.9529 11.9901 11.9901 12.1325 12.1325 k = 0.4000-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.5667 -1.5667 -0.0706 -0.0706 1.3973 1.3973 1.6295 1.6295 4.5810 4.5810 5.8886 5.8886 6.1055 6.1055 6.6328 6.6328 6.7573 6.7573 7.1436 7.1436 7.7649 7.7649 8.1352 8.1352 8.3565 8.3565 8.5287 8.5287 9.3152 9.3152 9.4582 9.4582 9.7272 9.7272 10.0585 10.0585 10.7282 10.7282 10.9524 10.9524 11.9952 11.9952 12.1621 12.1621 k = 0.4091-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.4677 -1.4677 -0.0735 -0.0735 1.4581 1.4581 1.6732 1.6732 4.5286 4.5286 5.7554 5.7554 6.0820 6.0820 6.5808 6.5808 6.8201 6.8201 7.2144 7.2144 7.7761 7.7761 8.1243 8.1243 8.3285 8.3285 8.4713 8.4713 9.3165 9.3165 9.4490 9.4490 9.7484 9.7484 10.0595 10.0595 10.7446 10.7446 10.9522 10.9522 12.0019 12.0019 12.1979 12.1979 k = 0.4182-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.3686 -1.3686 -0.0845 -0.0845 1.5163 1.5163 1.7134 1.7134 4.4885 4.4885 5.6251 5.6251 6.0598 6.0598 6.5051 6.5051 6.9100 6.9100 7.2843 7.2843 7.7895 7.7895 8.1104 8.1104 8.2938 8.2938 8.4157 8.4157 9.3185 9.3185 9.4398 9.4398 9.7715 9.7715 10.0591 10.0591 10.7617 10.7617 10.9520 10.9520 12.0104 12.0104 12.2391 12.2391 k = 0.4273-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.2697 -1.2697 -0.1038 -0.1038 1.5714 1.5714 1.7497 1.7497 4.4611 4.4611 5.4984 5.4984 6.0397 6.0397 6.4292 6.4292 7.0040 7.0040 7.3528 7.3528 7.8051 7.8051 8.0933 8.0933 8.2531 8.2531 8.3617 8.3617 9.3213 9.3213 9.4307 9.4307 9.7957 9.7957 10.0571 10.0571 10.7791 10.7791 10.9515 10.9515 12.0211 12.0211 12.2853 12.2853 k = 0.4364-0.0000-0.0000 ( 3254 PWs) bands (ev): -1.1714 -1.1714 -0.1314 -0.1314 1.6231 1.6231 1.7815 1.7815 4.4467 4.4467 5.3759 5.3759 6.0222 6.0222 6.3571 6.3571 7.0986 7.0986 7.4197 7.4197 7.8226 7.8226 8.0727 8.0727 8.2073 8.2073 8.3091 8.3091 9.3248 9.3248 9.4215 9.4215 9.8207 9.8207 10.0535 10.0535 10.7967 10.7967 10.9504 10.9504 12.0344 12.0344 12.3357 12.3357 k = 0.4455-0.0000-0.0000 ( 3250 PWs) bands (ev): -1.0740 -1.0740 -0.1673 -0.1673 1.6708 1.6708 1.8084 1.8084 4.4450 4.4450 5.2581 5.2581 6.0080 6.0080 6.2902 6.2902 7.1927 7.1927 7.4847 7.4847 7.8420 7.8420 8.0485 8.0485 8.1570 8.1570 8.2582 8.2582 9.3288 9.3288 9.4126 9.4126 9.8458 9.8458 10.0483 10.0483 10.8143 10.8143 10.9484 10.9484 12.0505 12.0505 12.3896 12.3896 k = 0.4545-0.0000-0.0000 ( 3248 PWs) bands (ev): -0.9780 -0.9780 -0.2113 -0.2113 1.7140 1.7140 1.8301 1.8301 4.4561 4.4561 5.1457 5.1457 5.9978 5.9978 6.2293 6.2293 7.2858 7.2858 7.5472 7.5472 7.8630 7.8630 8.0203 8.0203 8.1028 8.1028 8.2092 8.2092 9.3335 9.3335 9.4037 9.4037 9.8707 9.8707 10.0413 10.0413 10.8318 10.8318 10.9453 10.9453 12.0700 12.0700 12.4455 12.4455 k = 0.4636-0.0000-0.0000 ( 3238 PWs) bands (ev): -0.8838 -0.8838 -0.2629 -0.2629 1.7523 1.7523 1.8462 1.8462 4.4794 4.4794 5.0391 5.0391 5.9922 5.9922 6.1749 6.1749 7.3771 7.3771 7.6068 7.6068 7.8854 7.8854 7.9876 7.9876 8.0460 8.0460 8.1629 8.1629 9.3387 9.3387 9.3952 9.3952 9.8948 9.8948 10.0325 10.0325 10.8488 10.8488 10.9408 10.9408 12.0934 12.0934 12.4649 12.4649 k = 0.4727-0.0000-0.0000 ( 3246 PWs) bands (ev): -0.7919 -0.7919 -0.3218 -0.3218 1.7853 1.7853 1.8563 1.8563 4.5146 4.5146 4.9392 4.9392 5.9920 5.9920 6.1274 6.1274 7.4663 7.4663 7.6623 7.6623 7.9063 7.9063 7.9495 7.9495 7.9913 7.9913 8.1194 8.1194 9.3442 9.3442 9.3868 9.3868 9.9178 9.9178 10.0217 10.0217 10.8649 10.8649 10.9347 10.9347 12.1210 12.1210 12.3999 12.3999 k = 0.4818-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.7028 -0.7028 -0.3872 -0.3872 1.8126 1.8126 1.8602 1.8602 4.5611 4.5611 4.8464 4.8464 5.9976 5.9976 6.0872 6.0872 7.5522 7.5522 7.7108 7.7108 7.8900 7.8900 7.9256 7.9256 7.9583 7.9583 8.0790 8.0790 9.3503 9.3503 9.3788 9.3788 9.9395 9.9395 10.0091 10.0091 10.8801 10.8801 10.9270 10.9270 12.1534 12.1534 12.3386 12.3386 k = 0.4909-0.0000-0.0000 ( 3248 PWs) bands (ev): -0.6172 -0.6172 -0.4587 -0.4587 1.8339 1.8339 1.8578 1.8578 4.6182 4.6182 4.7615 4.7615 6.0096 6.0096 6.0541 6.0541 7.6334 7.6334 7.7373 7.7373 7.8486 7.8486 7.8906 7.8906 7.9771 7.9771 8.0417 8.0417 9.3568 9.3568 9.3711 9.3711 9.9596 9.9596 9.9945 9.9945 10.8940 10.8940 10.9176 10.9176 12.1910 12.1910 12.2834 12.2834 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5356 -0.5356 -0.5356 -0.5356 1.8490 1.8490 1.8491 1.8491 4.6852 4.6852 4.6852 4.6852 6.0283 6.0283 6.0283 6.0283 7.7039 7.7039 7.7039 7.7039 7.8550 7.8550 7.8550 7.8550 8.0075 8.0075 8.0076 8.0076 9.3637 9.3637 9.3639 9.3639 9.9779 9.9779 9.9781 9.9781 10.9065 10.9065 10.9067 10.9067 12.2341 12.2341 12.2343 12.2343 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5356 -0.5356 -0.5356 -0.5356 1.8490 1.8490 1.8491 1.8491 4.6852 4.6852 4.6852 4.6852 6.0283 6.0283 6.0283 6.0283 7.7039 7.7039 7.7039 7.7039 7.8550 7.8550 7.8550 7.8550 8.0075 8.0075 8.0076 8.0076 9.3637 9.3637 9.3639 9.3639 9.9779 9.9779 9.9781 9.9781 10.9065 10.9065 10.9067 10.9067 12.2341 12.2341 12.2343 12.2343 k = 0.5000 0.0091-0.0000 ( 3244 PWs) bands (ev): -0.5354 -0.5354 -0.5352 -0.5352 1.8485 1.8485 1.8489 1.8489 4.6855 4.6855 4.6872 4.6872 6.0254 6.0254 6.0282 6.0282 7.6920 7.6920 7.6934 7.6934 7.8418 7.8418 7.8543 7.8543 8.0226 8.0226 8.0305 8.0305 9.3592 9.3592 9.3631 9.3631 9.9765 9.9765 9.9793 9.9793 10.9051 10.9051 10.9095 10.9095 12.2328 12.2328 12.2337 12.2337 k = 0.5000 0.0181-0.0000 ( 3240 PWs) bands (ev): -0.5346 -0.5346 -0.5343 -0.5343 1.8474 1.8474 1.8481 1.8481 4.6879 4.6879 4.6913 4.6913 6.0193 6.0193 6.0250 6.0250 7.6618 7.6618 7.6631 7.6631 7.8256 7.8256 7.8443 7.8443 8.0669 8.0669 8.0780 8.0780 9.3495 9.3495 9.3572 9.3572 9.9750 9.9750 9.9805 9.9805 10.9052 10.9052 10.9136 10.9136 12.2294 12.2294 12.2312 12.2312 k = 0.5000 0.0272-0.0000 ( 3242 PWs) bands (ev): -0.5331 -0.5331 -0.5327 -0.5327 1.8457 1.8457 1.8467 1.8467 4.6926 4.6926 4.6977 4.6977 6.0103 6.0103 6.0186 6.0186 7.6206 7.6206 7.6209 7.6209 7.8116 7.8116 7.8332 7.8332 8.1245 8.1245 8.1368 8.1368 9.3352 9.3352 9.3465 9.3465 9.9735 9.9735 9.9814 9.9814 10.9066 10.9066 10.9190 10.9190 12.2240 12.2240 12.2269 12.2269 k = 0.5000 0.0362-0.0000 ( 3250 PWs) bands (ev): -0.5312 -0.5312 -0.5306 -0.5306 1.8434 1.8434 1.8447 1.8447 4.6994 4.6994 4.7061 4.7061 5.9982 5.9982 6.0091 6.0091 7.5741 7.5741 7.5751 7.5751 7.7983 7.7983 7.8222 7.8222 8.1872 8.1872 8.2005 8.2005 9.3169 9.3169 9.3315 9.3315 9.9717 9.9717 9.9818 9.9818 10.9095 10.9095 10.9253 10.9253 12.2170 12.2170 12.2210 12.2210 k = 0.5000 0.0453-0.0000 ( 3250 PWs) bands (ev): -0.5286 -0.5286 -0.5279 -0.5279 1.8404 1.8404 1.8422 1.8422 4.7083 4.7083 4.7167 4.7167 5.9831 5.9831 5.9964 5.9964 7.5273 7.5273 7.5292 7.5292 7.7843 7.7843 7.8105 7.8105 8.2511 8.2511 8.2658 8.2658 9.2957 9.2957 9.3132 9.3132 9.9698 9.9698 9.9817 9.9817 10.9138 10.9138 10.9325 10.9325 12.2084 12.2084 12.2137 12.2137 k = 0.5000 0.0544-0.0000 ( 3250 PWs) bands (ev): -0.5256 -0.5256 -0.5247 -0.5247 1.8370 1.8370 1.8390 1.8390 4.7192 4.7192 4.7293 4.7293 5.9651 5.9651 5.9807 5.9807 7.4827 7.4827 7.4853 7.4853 7.7688 7.7688 7.7976 7.7976 8.3137 8.3137 8.3303 8.3303 9.2727 9.2727 9.2927 9.2927 9.9675 9.9675 9.9810 9.9810 10.9194 10.9194 10.9403 10.9403 12.1986 12.1986 12.2053 12.2053 k = 0.5000 0.0634-0.0000 ( 3246 PWs) bands (ev): -0.5220 -0.5220 -0.5210 -0.5210 1.8330 1.8330 1.8354 1.8354 4.7321 4.7321 4.7439 4.7439 5.9444 5.9444 5.9619 5.9619 7.4415 7.4415 7.4446 7.4446 7.7514 7.7514 7.7829 7.7829 8.3729 8.3729 8.3923 8.3923 9.2494 9.2494 9.2712 9.2712 9.9649 9.9649 9.9795 9.9795 10.9263 10.9263 10.9488 10.9488 12.1880 12.1880 12.1961 12.1961 k = 0.5000 0.0725-0.0000 ( 3242 PWs) bands (ev): -0.5179 -0.5179 -0.5168 -0.5168 1.8286 1.8286 1.8312 1.8312 4.7470 4.7470 4.7604 4.7604 5.9211 5.9211 5.9403 5.9403 7.4046 7.4046 7.4079 7.4079 7.7321 7.7321 7.7663 7.7663 8.4265 8.4265 8.4497 8.4497 9.2274 9.2274 9.2504 9.2504 9.9616 9.9616 9.9773 9.9773 10.9344 10.9344 10.9579 10.9579 12.1769 12.1769 12.1865 12.1865 k = 0.5000 0.0816-0.0000 ( 3238 PWs) bands (ev): -0.5135 -0.5135 -0.5122 -0.5122 1.8237 1.8237 1.8266 1.8266 4.7636 4.7636 4.7786 4.7786 5.8953 5.8953 5.9159 5.9159 7.3722 7.3722 7.3756 7.3756 7.7107 7.7107 7.7477 7.7477 8.4727 8.4727 8.5006 8.5006 9.2086 9.2086 9.2318 9.2318 9.9578 9.9578 9.9741 9.9741 10.9438 10.9438 10.9674 10.9674 12.1656 12.1656 12.1767 12.1767 k = 0.5000 0.0906-0.0000 ( 3234 PWs) bands (ev): -0.5086 -0.5086 -0.5072 -0.5072 1.8184 1.8184 1.8216 1.8216 4.7819 4.7819 4.7985 4.7985 5.8675 5.8675 5.8892 5.8892 7.3446 7.3446 7.3479 7.3479 7.6874 7.6874 7.7270 7.7270 8.5092 8.5092 8.5429 8.5429 9.1950 9.1950 9.2177 9.2177 9.9533 9.9533 9.9701 9.9701 10.9543 10.9543 10.9775 10.9775 12.1546 12.1546 12.1671 12.1671 k = 0.5000 0.0997-0.0000 ( 3236 PWs) bands (ev): -0.5034 -0.5034 -0.5019 -0.5019 1.8128 1.8128 1.8163 1.8163 4.8017 4.8017 4.8199 4.8199 5.8379 5.8379 5.8605 5.8605 7.3216 7.3216 7.3247 7.3247 7.6623 7.6623 7.7044 7.7044 8.5344 8.5344 8.5749 8.5749 9.1881 9.1881 9.2095 9.2095 9.9481 9.9481 9.9652 9.9652 10.9660 10.9660 10.9882 10.9882 12.1441 12.1441 12.1580 12.1580 k = 0.5000 0.1087-0.0000 ( 3240 PWs) bands (ev): -0.4979 -0.4979 -0.4963 -0.4963 1.8069 1.8069 1.8107 1.8107 4.8229 4.8229 4.8427 4.8427 5.8068 5.8068 5.8301 5.8301 7.3031 7.3031 7.3060 7.3060 7.6355 7.6355 7.6799 7.6799 8.5474 8.5474 8.5951 8.5951 9.1888 9.1888 9.2085 9.2085 9.9422 9.9422 9.9596 9.9596 10.9789 10.9789 10.9995 10.9995 12.1344 12.1344 12.1495 12.1495 k = 0.5000 0.1178-0.0000 ( 3246 PWs) bands (ev): -0.4922 -0.4922 -0.4905 -0.4905 1.8008 1.8008 1.8048 1.8048 4.8454 4.8454 4.8666 4.8666 5.7748 5.7748 5.7984 5.7984 7.2887 7.2887 7.2915 7.2915 7.6073 7.6073 7.6537 7.6537 8.5484 8.5484 8.6033 8.6033 9.1969 9.1969 9.2152 9.2152 9.9357 9.9357 9.9534 9.9534 10.9929 10.9929 11.0115 11.0115 12.1256 12.1256 12.1418 12.1418 k = 0.5000 0.1269-0.0000 ( 3252 PWs) bands (ev): -0.4863 -0.4863 -0.4845 -0.4845 1.7946 1.7946 1.7988 1.7988 4.8689 4.8689 4.8916 4.8916 5.7421 5.7421 5.7660 5.7660 7.2782 7.2782 7.2810 7.2810 7.5781 7.5781 7.6260 7.6260 8.5389 8.5389 8.6003 8.6003 9.2109 9.2109 9.2285 9.2285 9.9286 9.9286 9.9466 9.9466 11.0078 11.0078 11.0242 11.0242 12.1180 12.1180 12.1351 12.1351 k = 0.5000 0.1359-0.0000 ( 3252 PWs) bands (ev): -0.4803 -0.4803 -0.4784 -0.4784 1.7882 1.7882 1.7927 1.7927 4.8933 4.8933 4.9175 4.9175 5.7093 5.7093 5.7332 5.7332 7.2708 7.2708 7.2740 7.2740 7.5484 7.5484 7.5971 7.5971 8.5208 8.5208 8.5880 8.5880 9.2289 9.2289 9.2467 9.2467 9.9212 9.9212 9.9396 9.9396 11.0236 11.0236 11.0375 11.0375 12.1114 12.1114 12.1294 12.1294 k = 0.5000 0.1450-0.0000 ( 3264 PWs) bands (ev): -0.4743 -0.4743 -0.4723 -0.4723 1.7819 1.7819 1.7865 1.7865 4.9183 4.9183 4.9438 4.9438 5.6766 5.6766 5.7004 5.7004 7.2659 7.2659 7.2702 7.2702 7.5187 7.5187 7.5675 7.5675 8.4965 8.4965 8.5686 8.5686 9.2491 9.2491 9.2678 9.2678 9.9135 9.9135 9.9323 9.9323 11.0398 11.0398 11.0512 11.0512 12.1060 12.1060 12.1245 12.1245 k = 0.5000 0.1540-0.0000 ( 3272 PWs) bands (ev): -0.4683 -0.4683 -0.4662 -0.4662 1.7756 1.7756 1.7804 1.7804 4.9438 4.9438 4.9706 4.9706 5.6446 5.6446 5.6682 5.6682 7.2627 7.2627 7.2689 7.2689 7.4898 7.4898 7.5376 7.5376 8.4677 8.4677 8.5440 8.5440 9.2696 9.2696 9.2900 9.2900 9.9058 9.9058 9.9253 9.9253 11.0564 11.0564 11.0651 11.0651 12.1015 12.1015 12.1206 12.1206 k = 0.5000 0.1631-0.0000 ( 3272 PWs) bands (ev): -0.4624 -0.4624 -0.4601 -0.4601 1.7694 1.7694 1.7744 1.7744 4.9693 4.9693 4.9974 4.9974 5.6136 5.6136 5.6370 5.6370 7.2600 7.2600 7.2696 7.2696 7.4629 7.4629 7.5080 7.5080 8.4362 8.4362 8.5161 8.5161 9.2893 9.2893 9.3118 9.3118 9.8982 9.8982 9.9185 9.9185 11.0729 11.0729 11.0792 11.0792 12.0980 12.0980 12.1175 12.1175 k = 0.5000 0.1722-0.0000 ( 3274 PWs) bands (ev): -0.4566 -0.4566 -0.4543 -0.4543 1.7634 1.7634 1.7685 1.7685 4.9947 4.9947 5.0240 5.0240 5.5839 5.5839 5.6069 5.6069 7.2563 7.2563 7.2713 7.2713 7.4395 7.4395 7.4797 7.4797 8.4033 8.4033 8.4862 8.4862 9.3074 9.3074 9.3323 9.3323 9.8909 9.8909 9.9121 9.9121 11.0891 11.0891 11.0931 11.0931 12.0953 12.0953 12.1151 12.1151 k = 0.5000 0.1812-0.0000 ( 3278 PWs) bands (ev): -0.4511 -0.4511 -0.4487 -0.4487 1.7577 1.7577 1.7629 1.7629 5.0196 5.0196 5.0500 5.0500 5.5558 5.5558 5.5785 5.5785 7.2500 7.2500 7.2731 7.2731 7.4213 7.4213 7.4537 7.4537 8.3698 8.3698 8.4554 8.4554 9.3233 9.3233 9.3509 9.3509 9.8840 9.8840 9.9063 9.9063 11.1047 11.1047 11.1065 11.1065 12.0934 12.0934 12.1133 12.1133 k = 0.5000 0.1903-0.0000 ( 3278 PWs) bands (ev): -0.4458 -0.4458 -0.4434 -0.4434 1.7522 1.7522 1.7576 1.7576 5.0437 5.0437 5.0752 5.0752 5.5297 5.5297 5.5519 5.5519 7.2398 7.2398 7.2734 7.2734 7.4095 7.4095 7.4317 7.4317 8.3367 8.3367 8.4246 8.4246 9.3370 9.3370 9.3673 9.3673 9.8777 9.8777 9.9011 9.9011 11.1191 11.1191 11.1194 11.1194 12.0920 12.0920 12.1120 12.1120 k = 0.5000 0.1993-0.0000 ( 3282 PWs) bands (ev): -0.4409 -0.4409 -0.4384 -0.4384 1.7472 1.7472 1.7526 1.7526 5.0667 5.0667 5.0991 5.0991 5.5056 5.5056 5.5275 5.5275 7.2256 7.2256 7.2706 7.2706 7.4043 7.4043 7.4152 7.4152 8.3046 8.3046 8.3946 8.3946 9.3484 9.3484 9.3813 9.3813 9.8721 9.8721 9.8966 9.8966 11.1311 11.1311 11.1328 11.1328 12.0911 12.0911 12.1112 12.1112 k = 0.5000 0.2084-0.0000 ( 3282 PWs) bands (ev): -0.4364 -0.4364 -0.4339 -0.4339 1.7426 1.7426 1.7481 1.7481 5.0881 5.0881 5.1214 5.1214 5.4839 5.4839 5.5055 5.5055 7.2086 7.2086 7.2637 7.2637 7.4044 7.4044 7.4054 7.4054 8.2742 8.2742 8.3660 8.3660 9.3577 9.3577 9.3931 9.3931 9.8671 9.8671 9.8928 9.8928 11.1419 11.1419 11.1450 11.1450 12.0906 12.0906 12.1107 12.1107 k = 0.5000 0.2175-0.0000 ( 3282 PWs) bands (ev): -0.4324 -0.4324 -0.4298 -0.4298 1.7385 1.7385 1.7441 1.7441 5.1077 5.1077 5.1417 5.1417 5.4648 5.4648 5.4860 5.4860 7.1905 7.1905 7.2529 7.2529 7.4020 7.4020 7.4082 7.4082 8.2462 8.2462 8.3396 8.3396 9.3651 9.3651 9.4026 9.4026 9.8630 9.8630 9.8897 9.8897 11.1515 11.1515 11.1558 11.1558 12.0903 12.0903 12.1104 12.1104 k = 0.5000 0.2265-0.0000 ( 3282 PWs) bands (ev): -0.4289 -0.4289 -0.4263 -0.4263 1.7349 1.7349 1.7406 1.7406 5.1250 5.1250 5.1597 5.1597 5.4483 5.4483 5.4692 5.4692 7.1728 7.1728 7.2401 7.2401 7.4032 7.4032 7.4141 7.4141 8.2211 8.2211 8.3159 8.3159 9.3707 9.3707 9.4102 9.4102 9.8595 9.8595 9.8872 9.8872 11.1598 11.1598 11.1650 11.1650 12.0902 12.0902 12.1102 12.1102 k = 0.5000 0.2356-0.0000 ( 3266 PWs) bands (ev): -0.4260 -0.4260 -0.4233 -0.4233 1.7319 1.7319 1.7376 1.7376 5.1398 5.1398 5.1750 5.1750 5.4347 5.4347 5.4553 5.4553 7.1570 7.1570 7.2272 7.2272 7.4070 7.4070 7.4206 7.4206 8.1995 8.1995 8.2955 8.2955 9.3750 9.3750 9.4161 9.4161 9.8569 9.8569 9.8854 9.8854 11.1667 11.1667 11.1726 11.1726 12.0903 12.0903 12.1102 12.1102 k = 0.5000 0.2447-0.0000 ( 3266 PWs) bands (ev): -0.4237 -0.4237 -0.4210 -0.4210 1.7295 1.7295 1.7353 1.7353 5.1516 5.1516 5.1873 5.1873 5.4240 5.4240 5.4444 5.4444 7.1438 7.1438 7.2157 7.2157 7.4115 7.4115 7.4267 7.4267 8.1820 8.1820 8.2789 8.2789 9.3780 9.3780 9.4203 9.4203 9.8549 9.8549 9.8840 9.8840 11.1721 11.1721 11.1786 11.1786 12.0903 12.0903 12.1103 12.1103 k = 0.5000 0.2537-0.0000 ( 3260 PWs) bands (ev): -0.4221 -0.4221 -0.4193 -0.4193 1.7278 1.7278 1.7336 1.7336 5.1603 5.1603 5.1962 5.1962 5.4164 5.4164 5.4365 5.4365 7.1339 7.1339 7.2069 7.2069 7.4156 7.4156 7.4317 7.4317 8.1691 8.1691 8.2667 8.2667 9.3800 9.3800 9.4232 9.4232 9.8535 9.8535 9.8830 9.8830 11.1759 11.1759 11.1828 11.1828 12.0905 12.0905 12.1104 12.1104 k = 0.5000 0.2628-0.0000 ( 3252 PWs) bands (ev): -0.4210 -0.4210 -0.4183 -0.4183 1.7268 1.7268 1.7326 1.7326 5.1656 5.1656 5.2017 5.2017 5.4117 5.4117 5.4317 5.4317 7.1278 7.1278 7.2013 7.2013 7.4184 7.4184 7.4349 7.4349 8.1611 8.1611 8.2592 8.2592 9.3812 9.3812 9.4249 9.4249 9.8527 9.8527 9.8825 9.8825 11.1783 11.1783 11.1854 11.1854 12.0906 12.0906 12.1104 12.1104 k = 0.5000 0.2718-0.0000 ( 3252 PWs) bands (ev): -0.4207 -0.4207 -0.4180 -0.4180 1.7265 1.7265 1.7323 1.7323 5.1674 5.1674 5.2035 5.2035 5.4102 5.4102 5.4302 5.4302 7.1258 7.1258 7.1994 7.1994 7.4193 7.4193 7.4360 7.4360 8.1584 8.1584 8.2567 8.2567 9.3816 9.3816 9.4255 9.4255 9.8524 9.8524 9.8823 9.8823 11.1791 11.1791 11.1863 11.1863 12.0906 12.0906 12.1105 12.1105 k = 0.5000 0.2718-0.0000 ( 3252 PWs) bands (ev): -0.4207 -0.4207 -0.4180 -0.4180 1.7265 1.7265 1.7323 1.7323 5.1674 5.1674 5.2035 5.2035 5.4102 5.4102 5.4302 5.4302 7.1258 7.1258 7.1994 7.1994 7.4193 7.4193 7.4360 7.4360 8.1584 8.1584 8.2567 8.2567 9.3816 9.3816 9.4255 9.4255 9.8524 9.8524 9.8823 9.8823 11.1791 11.1791 11.1863 11.1863 12.0906 12.0906 12.1105 12.1105 k = 0.4909 0.2718-0.0000 ( 3256 PWs) bands (ev): -0.4249 -0.4249 -0.4222 -0.4222 1.7247 1.7247 1.7305 1.7305 5.1592 5.1592 5.1948 5.1948 5.4273 5.4273 5.4481 5.4481 7.1176 7.1176 7.1917 7.1917 7.4198 7.4198 7.4368 7.4368 8.1653 8.1653 8.2636 8.2636 9.3816 9.3816 9.4255 9.4255 9.8521 9.8521 9.8820 9.8820 11.1793 11.1793 11.1864 11.1864 12.0916 12.0916 12.1115 12.1115 k = 0.4818 0.2718-0.0000 ( 3264 PWs) bands (ev): -0.4374 -0.4374 -0.4347 -0.4347 1.7194 1.7194 1.7252 1.7252 5.1408 5.1408 5.1755 5.1755 5.4726 5.4726 5.4947 5.4947 7.0937 7.0937 7.1691 7.1691 7.4213 7.4213 7.4392 7.4392 8.1853 8.1853 8.2838 8.2838 9.3819 9.3819 9.4257 9.4257 9.8512 9.8512 9.8810 9.8810 11.1802 11.1802 11.1872 11.1872 12.0947 12.0947 12.1145 12.1145 k = 0.4727 0.2718-0.0000 ( 3268 PWs) bands (ev): -0.4580 -0.4580 -0.4554 -0.4554 1.7103 1.7103 1.7161 1.7161 5.1218 5.1218 5.1562 5.1562 5.5360 5.5360 5.5594 5.5594 7.0561 7.0561 7.1332 7.1332 7.4245 7.4245 7.4434 7.4434 8.2163 8.2163 8.3151 8.3151 9.3825 9.3825 9.4260 9.4260 9.8496 9.8496 9.8794 9.8794 11.1817 11.1817 11.1884 11.1884 12.0999 12.0999 12.1196 12.1196 k = 0.4636 0.2718-0.0000 ( 3268 PWs) bands (ev): -0.4863 -0.4863 -0.4837 -0.4837 1.6972 1.6972 1.7031 1.7031 5.1081 5.1081 5.1429 5.1429 5.6113 5.6113 5.6357 5.6357 7.0073 7.0073 7.0864 7.0864 7.4296 7.4296 7.4497 7.4497 8.2558 8.2558 8.3550 8.3550 9.3832 9.3832 9.4264 9.4264 9.8475 9.8475 9.8772 9.8772 11.1841 11.1841 11.1904 11.1904 12.1070 12.1070 12.1267 12.1267 k = 0.4545 0.2718-0.0000 ( 3260 PWs) bands (ev): -0.5217 -0.5217 -0.5192 -0.5192 1.6799 1.6799 1.6858 1.6858 5.1026 5.1026 5.1382 5.1382 5.6950 5.6950 5.7204 5.7204 6.9499 6.9499 7.0313 7.0313 7.4370 7.4370 7.4582 7.4582 8.3010 8.3010 8.4009 8.4009 9.3843 9.3843 9.4270 9.4270 9.8448 9.8448 9.8743 9.8743 11.1872 11.1872 11.1931 11.1931 12.1160 12.1160 12.1355 12.1355 k = 0.4455 0.2718-0.0000 ( 3264 PWs) bands (ev): -0.5637 -0.5637 -0.5612 -0.5612 1.6580 1.6580 1.6640 1.6640 5.1063 5.1063 5.1433 5.1433 5.7848 5.7848 5.8112 5.8112 6.8865 6.8865 6.9705 6.9705 7.4467 7.4467 7.4690 7.4690 8.3498 8.3498 8.4503 8.4503 9.3857 9.3857 9.4277 9.4277 9.8415 9.8415 9.8708 9.8708 11.1912 11.1912 11.1966 11.1966 12.1264 12.1264 12.1459 12.1459 k = 0.4364 0.2718-0.0000 ( 3258 PWs) bands (ev): -0.6115 -0.6115 -0.6092 -0.6092 1.6315 1.6315 1.6375 1.6375 5.1198 5.1198 5.1587 5.1587 5.8790 5.8790 5.9065 5.9065 6.8195 6.8195 6.9066 6.9066 7.4587 7.4587 7.4823 7.4823 8.4001 8.4001 8.5014 8.5014 9.3875 9.3875 9.4287 9.4287 9.8376 9.8376 9.8668 9.8668 11.1963 11.1963 11.2013 11.2013 12.1382 12.1382 12.1576 12.1576 k = 0.4273 0.2718-0.0000 ( 3258 PWs) bands (ev): -0.6646 -0.6646 -0.6623 -0.6623 1.6002 1.6002 1.6063 1.6063 5.1427 5.1427 5.1842 5.1842 5.9760 5.9760 6.0047 6.0047 6.7510 6.7510 6.8420 6.8420 7.4733 7.4733 7.4981 7.4981 8.4507 8.4507 8.5526 8.5526 9.3897 9.3897 9.4300 9.4300 9.8332 9.8332 9.8622 9.8622 11.2026 11.2026 11.2072 11.2072 12.1509 12.1509 12.1703 12.1703 k = 0.4182 0.2718-0.0000 ( 3266 PWs) bands (ev): -0.7222 -0.7222 -0.7200 -0.7200 1.5642 1.5642 1.5703 1.5703 5.1743 5.1743 5.2191 5.2191 6.0735 6.0735 6.1035 6.1035 6.6838 6.6838 6.7795 6.7795 7.4903 7.4903 7.5167 7.5167 8.5001 8.5001 8.6026 8.6026 9.3924 9.3924 9.4314 9.4314 9.8282 9.8282 9.8571 9.8571 11.2102 11.2102 11.2146 11.2146 12.1641 12.1641 12.1835 12.1835 k = 0.4091 0.2718-0.0000 ( 3266 PWs) bands (ev): -0.7836 -0.7836 -0.7815 -0.7815 1.5236 1.5236 1.5297 1.5297 5.2135 5.2135 5.2623 5.2623 6.1685 6.1685 6.1995 6.1995 6.6222 6.6222 6.7231 6.7231 7.5102 7.5102 7.5383 7.5383 8.5476 8.5476 8.6504 8.6504 9.3958 9.3958 9.4333 9.4333 9.8227 9.8227 9.8515 9.8515 11.2195 11.2195 11.2238 11.2238 12.1772 12.1772 12.1968 12.1968 k = 0.4000 0.2718-0.0000 ( 3268 PWs) bands (ev): -0.8483 -0.8483 -0.8463 -0.8463 1.4787 1.4787 1.4848 1.4848 5.2584 5.2584 5.3120 5.3120 6.2554 6.2554 6.2838 6.2838 6.5758 6.5758 6.6792 6.6792 7.5331 7.5331 7.5633 7.5633 8.5925 8.5925 8.6953 8.6953 9.3998 9.3998 9.4357 9.4357 9.8168 9.8168 9.8456 9.8456 11.2306 11.2306 11.2351 11.2351 12.1897 12.1897 12.2095 12.2095 k = 0.3909 0.2718-0.0000 ( 3264 PWs) bands (ev): -0.9157 -0.9157 -0.9138 -0.9138 1.4299 1.4299 1.4360 1.4360 5.3066 5.3066 5.3658 5.3658 6.3235 6.3235 6.3343 6.3343 6.5679 6.5679 6.6599 6.6599 7.5593 7.5593 7.5919 7.5919 8.6342 8.6342 8.7366 8.7366 9.4046 9.4046 9.4384 9.4384 9.8108 9.8108 9.8396 9.8396 11.2439 11.2439 11.2487 11.2487 12.2008 12.2008 12.2211 12.2211 k = 0.3818 0.2718-0.0000 ( 3264 PWs) bands (ev): -0.9852 -0.9852 -0.9833 -0.9833 1.3775 1.3775 1.3835 1.3835 5.3549 5.3549 5.4203 5.4203 6.3344 6.3344 6.3600 6.3600 6.6174 6.6174 6.6798 6.6798 7.5893 7.5893 7.6247 7.6247 8.6724 8.6724 8.7739 8.7739 9.4103 9.4103 9.4418 9.4418 9.8044 9.8044 9.8333 9.8333 11.2595 11.2595 11.2651 11.2651 12.2099 12.2099 12.2307 12.2307 k = 0.3727 0.2718-0.0000 ( 3260 PWs) bands (ev): -1.0563 -1.0563 -1.0546 -1.0546 1.3220 1.3220 1.3279 1.3279 5.3992 5.3992 5.4705 5.4705 6.3124 6.3124 6.3687 6.3687 6.6990 6.6990 6.7377 6.7377 7.6234 7.6234 7.6619 7.6619 8.7067 8.7067 8.8070 8.8070 9.4168 9.4168 9.4456 9.4456 9.7981 9.7981 9.8271 9.8271 11.2778 11.2778 11.2846 11.2846 12.2164 12.2164 12.2378 12.2378 k = 0.3636 0.2718-0.0000 ( 3266 PWs) bands (ev): -1.1286 -1.1286 -1.1270 -1.1270 1.2638 1.2638 1.2697 1.2697 5.4346 5.4346 5.5102 5.5102 6.2962 6.2962 6.3701 6.3701 6.7896 6.7896 6.8163 6.8163 7.6621 7.6621 7.7042 7.7042 8.7371 8.7371 8.8355 8.8355 9.4242 9.4242 9.4499 9.4499 9.7919 9.7919 9.8211 9.8211 11.2990 11.2990 11.3075 11.3075 12.2195 12.2195 12.2417 12.2417 k = 0.3545 0.2718-0.0000 ( 3266 PWs) bands (ev): -1.2018 -1.2018 -1.2003 -1.2003 1.2034 1.2034 1.2092 1.2092 5.4564 5.4564 5.5329 5.5329 6.2991 6.2991 6.3804 6.3804 6.8807 6.8807 6.9024 6.9024 7.7059 7.7059 7.7518 7.7518 8.7636 8.7636 8.8596 8.8596 9.4324 9.4324 9.4548 9.4548 9.7861 9.7861 9.8155 9.8155 11.3236 11.3236 11.3343 11.3343 12.2189 12.2189 12.2421 12.2421 k = 0.3455 0.2718-0.0000 ( 3268 PWs) bands (ev): -1.2754 -1.2754 -1.2739 -1.2739 1.1412 1.1412 1.1470 1.1470 5.4613 5.4613 5.5341 5.5341 6.3269 6.3269 6.4078 6.4078 6.9691 6.9691 6.9893 6.9893 7.7549 7.7549 7.8050 7.8050 8.7863 8.7863 8.8793 8.8793 9.4415 9.4415 9.4603 9.4603 9.7809 9.7809 9.8106 9.8106 11.3516 11.3516 11.3650 11.3650 12.2146 12.2146 12.2390 12.2390 k = 0.3364 0.2718-0.0000 ( 3268 PWs) bands (ev): -1.3492 -1.3492 -1.3478 -1.3478 1.0777 1.0777 1.0834 1.0834 5.4489 5.4489 5.5143 5.5143 6.3795 6.3795 6.4542 6.4542 7.0534 7.0534 7.0741 7.0741 7.8093 7.8093 7.8635 7.8635 8.8052 8.8052 8.8948 8.8948 9.4512 9.4512 9.4662 9.4662 9.7766 9.7766 9.8066 9.8066 11.3834 11.3834 11.4001 11.4001 12.2068 12.2068 12.2324 12.2324 k = 0.3273 0.2718-0.0000 ( 3272 PWs) bands (ev): -1.4228 -1.4228 -1.4215 -1.4215 1.0132 1.0132 1.0188 1.0188 5.4210 5.4210 5.4775 5.4775 6.4521 6.4521 6.5178 6.5178 7.1331 7.1331 7.1556 7.1556 7.8689 7.8689 7.9269 7.9269 8.8207 8.8207 8.9065 8.9065 9.4616 9.4616 9.4725 9.4725 9.7736 9.7736 9.8037 9.8037 11.4192 11.4192 11.4398 11.4398 12.1959 12.1959 12.2230 12.2230 k = 0.3182 0.2718-0.0000 ( 3276 PWs) bands (ev): -1.4960 -1.4960 -1.4948 -1.4948 0.9482 0.9482 0.9536 0.9536 5.3810 5.3810 5.4286 5.4286 6.5389 6.5389 6.5946 6.5946 7.2087 7.2087 7.2335 7.2335 7.9328 7.9328 7.9942 7.9942 8.8332 8.8332 8.9146 8.9146 9.4725 9.4725 9.4792 9.4792 9.7722 9.7722 9.8022 9.8022 11.4589 11.4589 11.4840 11.4840 12.1830 12.1830 12.2117 12.2117 k = 0.3091 0.2718-0.0000 ( 3272 PWs) bands (ev): -1.5686 -1.5686 -1.5674 -1.5674 0.8828 0.8828 0.8882 0.8882 5.3321 5.3321 5.3718 5.3718 6.6342 6.6342 6.6802 6.6802 7.2810 7.2810 7.3085 7.3085 8.0003 8.0003 8.0644 8.0644 8.8430 8.8430 8.9198 8.9198 9.4838 9.4838 9.4863 9.4863 9.7728 9.7728 9.8026 9.8026 11.5025 11.5025 11.5327 11.5327 12.1695 12.1695 12.1998 12.1998 k = 0.3000 0.2718-0.0000 ( 3266 PWs) bands (ev): -1.6403 -1.6403 -1.6392 -1.6392 0.8176 0.8176 0.8227 0.8227 5.2771 5.2771 5.3102 5.3102 6.7334 6.7334 6.7701 6.7701 7.3513 7.3513 7.3817 7.3817 8.0700 8.0700 8.1359 8.1359 8.8506 8.8506 8.9225 8.9225 9.4934 9.4934 9.4954 9.4954 9.7757 9.7757 9.8049 9.8049 11.5496 11.5496 11.5851 11.5851 12.1574 12.1574 12.1891 12.1891 k = 0.2909 0.2718-0.0000 ( 3254 PWs) bands (ev): -1.7111 -1.7111 -1.7101 -1.7101 0.7526 0.7526 0.7576 0.7576 5.2181 5.2181 5.2457 5.2457 6.8325 6.8325 6.8607 6.8607 7.4213 7.4213 7.4545 7.4545 8.1407 8.1407 8.2074 8.2074 8.8565 8.8565 8.9232 8.9232 9.5007 9.5007 9.5072 9.5072 9.7813 9.7813 9.8095 9.8095 11.5991 11.5991 11.6399 11.6399 12.1493 12.1493 12.1820 12.1820 k = 0.2818 0.2718-0.0000 ( 3258 PWs) bands (ev): -1.7807 -1.7807 -1.7797 -1.7797 0.6881 0.6881 0.6930 0.6930 5.1568 5.1568 5.1798 5.1798 6.9281 6.9281 6.9485 6.9485 7.4925 7.4925 7.5281 7.5281 8.2113 8.2113 8.2777 8.2777 8.8611 8.8611 8.9225 8.9225 9.5079 9.5079 9.5189 9.5189 9.7897 9.7897 9.8166 9.8166 11.6494 11.6494 11.6946 11.6946 12.1489 12.1489 12.1812 12.1812 k = 0.2727 0.2718-0.0000 ( 3256 PWs) bands (ev): -1.8490 -1.8490 -1.8481 -1.8481 0.6244 0.6244 0.6292 0.6292 5.0941 5.0941 5.1134 5.1134 7.0175 7.0175 7.0310 7.0310 7.5661 7.5661 7.6034 7.6034 8.2811 8.2811 8.3459 8.3459 8.8652 8.8652 8.9209 8.9209 9.5150 9.5150 9.5305 9.5305 9.8012 9.8012 9.8264 9.8264 11.6981 11.6981 11.7455 11.7455 12.1615 12.1615 12.1908 12.1908 k = 0.2636 0.2718-0.0000 ( 3252 PWs) bands (ev): -1.9159 -1.9159 -1.9150 -1.9150 0.5616 0.5616 0.5663 0.5663 5.0310 5.0310 5.0472 5.0472 7.0987 7.0987 7.1064 7.1064 7.6422 7.6422 7.6800 7.6800 8.3497 8.3497 8.4117 8.4117 8.8692 8.8692 8.9192 8.9192 9.5222 9.5222 9.5420 9.5420 9.8158 9.8158 9.8390 9.8390 11.7422 11.7422 11.7880 11.7880 12.1927 12.1927 12.2147 12.2147 k = 0.2545 0.2718-0.0000 ( 3252 PWs) bands (ev): -1.9812 -1.9812 -1.9804 -1.9804 0.5000 0.5000 0.5045 0.5045 4.9680 4.9680 4.9817 4.9817 7.1708 7.1708 7.1740 7.1740 7.7198 7.7198 7.7567 7.7567 8.4170 8.4170 8.4752 8.4752 8.8735 8.8735 8.9179 8.9179 9.5294 9.5294 9.5532 9.5532 9.8333 9.8333 9.8543 9.8543 11.7795 11.7795 11.8195 11.8195 12.2464 12.2464 12.2566 12.2566 k = 0.2455 0.2718-0.0000 ( 3244 PWs) bands (ev): -2.0449 -2.0449 -2.0441 -2.0441 0.4396 0.4396 0.4439 0.4439 4.9056 4.9056 4.9172 4.9172 7.2340 7.2340 7.2341 7.2341 7.7966 7.7966 7.8313 7.8313 8.4835 8.4835 8.5371 8.5371 8.8787 8.8787 8.9178 8.9178 9.5366 9.5366 9.5641 9.5641 9.8533 9.8533 9.8722 9.8722 11.8095 11.8095 11.8415 11.8415 12.3177 12.3177 12.3221 12.3221 k = 0.2364 0.2718-0.0000 ( 3240 PWs) bands (ev): -2.1068 -2.1068 -2.1060 -2.1060 0.3807 0.3807 0.3848 0.3848 4.8441 4.8441 4.8540 4.8540 7.2870 7.2870 7.2891 7.2891 7.8695 7.8695 7.9009 7.9009 8.5492 8.5492 8.5982 8.5982 8.8852 8.8852 8.9199 8.9199 9.5441 9.5441 9.5748 9.5748 9.8754 9.8754 9.8922 9.8922 11.8345 11.8345 11.8586 11.8586 12.3967 12.3967 12.4163 12.4163 k = 0.2273 0.2718-0.0000 ( 3238 PWs) bands (ev): -2.1668 -2.1668 -2.1662 -2.1662 0.3232 0.3232 0.3272 0.3272 4.7839 4.7839 4.7923 4.7923 7.3339 7.3339 7.3374 7.3374 7.9354 7.9354 7.9629 7.9629 8.6139 8.6139 8.6592 8.6592 8.8935 8.8935 8.9253 8.9253 9.5520 9.5520 9.5854 9.5854 9.8988 9.8988 9.9137 9.9137 11.8579 11.8579 11.8754 11.8754 12.4908 12.4908 12.5251 12.5251 k = 0.2182 0.2718-0.0000 ( 3234 PWs) bands (ev): -2.2250 -2.2250 -2.2244 -2.2244 0.2674 0.2674 0.2713 0.2713 4.7252 4.7252 4.7323 4.7323 7.3757 7.3757 7.3801 7.3801 7.9918 7.9918 8.0155 8.0155 8.6761 8.6761 8.7201 8.7201 8.9042 8.9042 8.9357 8.9357 9.5608 9.5608 9.5963 9.5963 9.9227 9.9227 9.9360 9.9360 11.8835 11.8835 11.8960 11.8960 12.5970 12.5970 12.6453 12.6453 k = 0.2091 0.2718-0.0000 ( 3230 PWs) bands (ev): -2.2812 -2.2812 -2.2806 -2.2806 0.2134 0.2134 0.2171 0.2171 4.6681 4.6681 4.6741 4.6741 7.4132 7.4132 7.4181 7.4181 8.0375 8.0375 8.0577 8.0577 8.7327 8.7327 8.7789 8.7789 8.9191 8.9191 8.9534 8.9534 9.5709 9.5709 9.6079 9.6079 9.9462 9.9462 9.9581 9.9581 11.9142 11.9142 11.9233 11.9233 12.7123 12.7123 12.7744 12.7744 k = 0.2000 0.2718-0.0000 ( 3234 PWs) bands (ev): -2.3353 -2.3353 -2.3348 -2.3348 0.1612 0.1612 0.1647 0.1647 4.6128 4.6128 4.6179 4.6179 7.4470 7.4470 7.4521 7.4521 8.0724 8.0724 8.0898 8.0898 8.7798 8.7798 8.8308 8.8308 8.9415 8.9415 8.9808 8.9808 9.5827 9.5827 9.6207 9.6207 9.9683 9.9683 9.9792 9.9792 11.9526 11.9526 11.9596 11.9596 12.8341 12.8341 12.9102 12.9102 k = 0.1909 0.2718-0.0000 ( 3228 PWs) bands (ev): -2.3874 -2.3874 -2.3869 -2.3869 0.1109 0.1109 0.1142 0.1142 4.5594 4.5594 4.5637 4.5637 7.4778 7.4778 7.4830 7.4830 8.0975 8.0975 8.1129 8.1129 8.8154 8.8154 8.8693 8.8693 8.9761 8.9761 9.0183 9.0183 9.5968 9.5968 9.6351 9.6351 9.9885 9.9885 9.9985 9.9985 12.0005 12.0005 12.0067 12.0067 12.9598 12.9598 13.0505 13.0505 k = 0.1818 0.2718-0.0000 ( 3224 PWs) bands (ev): -2.4373 -2.4373 -2.4368 -2.4368 0.0625 0.0625 0.0657 0.0657 4.5080 4.5080 4.5117 4.5117 7.5058 7.5058 7.5110 7.5110 8.1141 8.1141 8.1280 8.1280 8.8410 8.8410 8.8946 8.8946 9.0204 9.0204 9.0619 9.0619 9.6136 9.6136 9.6516 9.6516 10.0059 10.0059 10.0151 10.0151 12.0593 12.0593 12.0658 12.0658 13.0867 13.0867 13.1928 13.1928 k = 0.1727 0.2718-0.0000 ( 3222 PWs) bands (ev): -2.4850 -2.4850 -2.4845 -2.4845 0.0162 0.0162 0.0193 0.0193 4.4587 4.4587 4.4618 4.4618 7.5313 7.5313 7.5365 7.5365 8.1238 8.1238 8.1367 8.1367 8.8604 8.8604 8.9127 8.9127 9.0665 9.0665 9.1063 9.1063 9.6331 9.6331 9.6702 9.6702 10.0202 10.0202 10.0286 10.0286 12.1297 12.1297 12.1376 12.1376 13.2115 13.2115 13.3336 13.3336 k = 0.1636 0.2718-0.0000 ( 3222 PWs) bands (ev): -2.5304 -2.5304 -2.5300 -2.5300 -0.0279 -0.0279 -0.0251 -0.0251 4.4117 4.4117 4.4143 4.4143 7.5546 7.5546 7.5596 7.5596 8.1282 8.1282 8.1403 8.1403 8.8766 8.8766 8.9277 8.9277 9.1088 9.1088 9.1475 9.1475 9.6553 9.6553 9.6909 9.6909 10.0311 10.0311 10.0387 10.0387 12.2119 12.2119 12.2224 12.2224 13.3308 13.3308 13.4678 13.4678 k = 0.1545 0.2718-0.0000 ( 3230 PWs) bands (ev): -2.5736 -2.5736 -2.5732 -2.5732 -0.0700 -0.0700 -0.0672 -0.0672 4.3669 4.3669 4.3691 4.3691 7.5758 7.5758 7.5806 7.5806 8.1285 8.1285 8.1400 8.1400 8.8913 8.8913 8.9417 8.9417 9.1450 9.1450 9.1833 9.1833 9.6794 9.6794 9.7131 9.7131 10.0387 10.0387 10.0454 10.0454 12.3056 12.3056 12.3195 12.3195 13.4407 13.4407 13.5886 13.5886 k = 0.1455 0.2718-0.0000 ( 3230 PWs) bands (ev): -2.6145 -2.6145 -2.6141 -2.6141 -0.1098 -0.1098 -0.1072 -0.1072 4.3244 4.3244 4.3262 4.3262 7.5950 7.5950 7.5996 7.5996 8.1259 8.1259 8.1368 8.1368 8.9055 8.9055 8.9556 8.9556 9.1743 9.1743 9.2128 9.2128 9.7043 9.7043 9.7359 9.7359 10.0435 10.0435 10.0490 10.0490 12.4098 12.4098 12.4282 12.4282 13.5380 13.5380 13.6887 13.6887 k = 0.1364 0.2718-0.0000 ( 3230 PWs) bands (ev): -2.6530 -2.6530 -2.6527 -2.6527 -0.1474 -0.1474 -0.1450 -0.1450 4.2842 4.2842 4.2858 4.2858 7.6123 7.6123 7.6167 7.6167 8.1213 8.1213 8.1316 8.1316 8.9198 8.9198 8.9697 8.9697 9.1973 9.1973 9.2364 9.2364 9.7287 9.7287 9.7580 9.7580 10.0461 10.0461 10.0503 10.0503 12.5229 12.5229 12.5467 12.5467 13.6207 13.6207 13.7640 13.7640 k = 0.1273 0.2718-0.0000 ( 3234 PWs) bands (ev): -2.6892 -2.6892 -2.6889 -2.6889 -0.1827 -0.1827 -0.1805 -0.1805 4.2465 4.2465 4.2478 4.2478 7.6278 7.6278 7.6320 7.6320 8.1152 8.1152 8.1249 8.1249 8.9345 8.9345 8.9842 8.9842 9.2146 9.2146 9.2547 9.2547 9.7509 9.7509 9.7779 9.7779 10.0474 10.0474 10.0502 10.0502 12.6429 12.6429 12.6730 12.6730 13.6886 13.6886 13.8155 13.8155 k = 0.1182 0.2718-0.0000 ( 3236 PWs) bands (ev): -2.7230 -2.7230 -2.7227 -2.7227 -0.2157 -0.2157 -0.2136 -0.2136 4.2113 4.2113 4.2123 4.2123 7.6415 7.6415 7.6454 7.6454 8.1084 8.1084 8.1175 8.1175 8.9496 8.9496 8.9993 8.9993 9.2274 9.2274 9.2685 9.2685 9.7694 9.7694 9.7942 9.7942 10.0485 10.0485 10.0500 10.0500 12.7669 12.7669 12.8043 12.8043 13.7430 13.7430 13.8465 13.8465 k = 0.1091 0.2718-0.0000 ( 3236 PWs) bands (ev): -2.7543 -2.7543 -2.7541 -2.7541 -0.2464 -0.2464 -0.2445 -0.2445 4.1785 4.1785 4.1793 4.1793 7.6536 7.6536 7.6572 7.6572 8.1013 8.1013 8.1096 8.1096 8.9654 8.9654 9.0151 9.0151 9.2363 9.2363 9.2786 9.2786 9.7830 9.7830 9.8055 9.8055 10.0504 10.0504 10.0508 10.0508 12.8916 12.8916 12.9372 12.9372 13.7863 13.7863 13.8610 13.8610 k = 0.1000 0.2718-0.0000 ( 3236 PWs) bands (ev): -2.7833 -2.7833 -2.7830 -2.7830 -0.2747 -0.2747 -0.2729 -0.2729 4.1482 4.1482 4.1489 4.1489 7.6641 7.6641 7.6674 7.6674 8.0941 8.0941 8.1017 8.1017 8.9817 8.9817 9.0314 9.0314 9.2424 9.2424 9.2858 9.2858 9.7909 9.7909 9.8110 9.8110 10.0536 10.0536 10.0541 10.0541 13.0127 13.0127 13.0669 13.0669 13.8206 13.8206 13.8715 13.8715 k = 0.0909 0.2718-0.0000 ( 3240 PWs) bands (ev): -2.8097 -2.8097 -2.8095 -2.8095 -0.3006 -0.3006 -0.2990 -0.2990 4.1205 4.1205 4.1211 4.1211 7.6731 7.6731 7.6760 7.6760 8.0872 8.0872 8.0940 8.0940 8.9985 8.9985 9.0481 9.0481 9.2461 9.2461 9.2906 9.2906 9.7930 9.7930 9.8106 9.8106 10.0587 10.0587 10.0597 10.0597 13.1254 13.1254 13.1873 13.1873 13.8479 13.8479 13.8882 13.8882 k = 0.0818 0.2718-0.0000 ( 3248 PWs) bands (ev): -2.8337 -2.8337 -2.8335 -2.8335 -0.3241 -0.3241 -0.3226 -0.3226 4.0954 4.0954 4.0958 4.0958 7.6807 7.6807 7.6833 7.6833 8.0807 8.0807 8.0868 8.0868 9.0157 9.0157 9.0652 9.0652 9.2480 9.2480 9.2935 9.2935 9.7899 9.7899 9.8050 9.8050 10.0660 10.0660 10.0672 10.0672 13.2245 13.2245 13.2914 13.2914 13.8698 13.8698 13.9115 13.9115 k = 0.0727 0.2718-0.0000 ( 3248 PWs) bands (ev): -2.8552 -2.8552 -2.8550 -2.8550 -0.3451 -0.3451 -0.3438 -0.3438 4.0728 4.0728 4.0732 4.0732 7.6871 7.6871 7.6893 7.6893 8.0749 8.0749 8.0802 8.0802 9.0331 9.0331 9.0824 9.0824 9.2486 9.2486 9.2948 9.2948 9.7828 9.7828 9.7954 9.7954 10.0747 10.0747 10.0759 10.0759 13.3062 13.3062 13.3727 13.3727 13.8874 13.8874 13.9301 13.9301 k = 0.0636 0.2718-0.0000 ( 3248 PWs) bands (ev): -2.8742 -2.8742 -2.8741 -2.8741 -0.3637 -0.3637 -0.3626 -0.3626 4.0529 4.0529 4.0532 4.0532 7.6923 7.6923 7.6941 7.6941 8.0697 8.0697 8.0743 8.0743 9.0506 9.0506 9.0994 9.0994 9.2482 9.2482 9.2948 9.2948 9.7729 9.7729 9.7832 9.7832 10.0839 10.0839 10.0851 10.0851 13.3688 13.3688 13.4295 13.4295 13.9017 13.9017 13.9402 13.9402 k = 0.0545 0.2718-0.0000 ( 3250 PWs) bands (ev): -2.8907 -2.8907 -2.8906 -2.8906 -0.3798 -0.3798 -0.3789 -0.3789 4.0356 4.0356 4.0358 4.0358 7.6964 7.6964 7.6980 7.6980 8.0652 8.0652 8.0690 8.0690 9.0679 9.0679 9.1155 9.1155 9.2474 9.2474 9.2935 9.2935 9.7615 9.7615 9.7696 9.7696 10.0931 10.0931 10.0942 10.0942 13.4142 13.4142 13.4656 13.4656 13.9134 13.9134 13.9461 13.9461 k = 0.0455 0.2718-0.0000 ( 3254 PWs) bands (ev): -2.9046 -2.9046 -2.9045 -2.9045 -0.3935 -0.3935 -0.3927 -0.3927 4.0209 4.0209 4.0211 4.0211 7.6997 7.6997 7.7009 7.7009 8.0614 8.0614 8.0646 8.0646 9.0848 9.0848 9.1301 9.1301 9.2465 9.2465 9.2910 9.2910 9.7496 9.7496 9.7559 9.7559 10.1015 10.1015 10.1024 10.1024 13.4459 13.4459 13.4870 13.4870 13.9230 13.9230 13.9498 13.9498 k = 0.0364 0.2718-0.0000 ( 3262 PWs) bands (ev): -2.9161 -2.9161 -2.9160 -2.9160 -0.4047 -0.4047 -0.4040 -0.4040 4.0089 4.0089 4.0090 4.0090 7.7021 7.7021 7.7031 7.7031 8.0584 8.0584 8.0609 8.0609 9.1008 9.1008 9.1422 9.1422 9.2463 9.2463 9.2874 9.2874 9.7384 9.7384 9.7430 9.7430 10.1088 10.1088 10.1096 10.1096 13.4676 13.4676 13.4988 13.4988 13.9308 13.9308 13.9518 13.9518 k = 0.0273 0.2718-0.0000 ( 3258 PWs) bands (ev): -2.9250 -2.9250 -2.9249 -2.9249 -0.4134 -0.4134 -0.4129 -0.4129 3.9995 3.9995 3.9996 3.9996 7.7040 7.7040 7.7047 7.7047 8.0562 8.0562 8.0580 8.0580 9.1157 9.1157 9.1508 9.1508 9.2476 9.2476 9.2827 9.2827 9.7288 9.7288 9.7320 9.7320 10.1148 10.1148 10.1155 10.1155 13.4823 13.4823 13.5047 13.5047 13.9371 13.9371 13.9527 13.9527 k = 0.0182 0.2718-0.0000 ( 3258 PWs) bands (ev): -2.9313 -2.9313 -2.9313 -2.9313 -0.4195 -0.4195 -0.4192 -0.4192 3.9928 3.9928 3.9929 3.9929 7.7052 7.7052 7.7057 7.7057 8.0547 8.0547 8.0559 8.0559 9.1291 9.1291 9.1548 9.1548 9.2510 9.2510 9.2769 9.2769 9.7214 9.7214 9.7234 9.7234 10.1192 10.1192 10.1197 10.1197 13.4925 13.4925 13.5069 13.5069 13.9423 13.9423 13.9525 13.9525 k = 0.0091 0.2718-0.0000 ( 3262 PWs) bands (ev): -2.9351 -2.9351 -2.9351 -2.9351 -0.4232 -0.4232 -0.4231 -0.4231 3.9888 3.9888 3.9889 3.9889 7.7060 7.7060 7.7062 7.7062 8.0539 8.0539 8.0545 8.0545 9.1403 9.1403 9.1540 9.1540 9.2564 9.2564 9.2702 9.2702 9.7169 9.7169 9.7179 9.7179 10.1219 10.1219 10.1222 10.1222 13.4993 13.4993 13.5064 13.5064 13.9463 13.9463 13.9514 13.9514 k = 0.0000 0.2718-0.0000 ( 3262 PWs) bands (ev): -2.9364 -2.9364 -2.9364 -2.9364 -0.4244 -0.4244 -0.4244 -0.4244 3.9875 3.9875 3.9875 3.9875 7.7063 7.7063 7.7063 7.7063 8.0538 8.0538 8.0540 8.0540 9.1488 9.1488 9.1490 9.1490 9.2630 9.2630 9.2633 9.2633 9.7156 9.7156 9.7158 9.7158 10.1228 10.1228 10.1231 10.1231 13.5038 13.5038 13.5039 13.5039 13.9492 13.9492 13.9494 13.9494 k = 0.0000 0.2718-0.0000 ( 3262 PWs) bands (ev): -2.9364 -2.9364 -2.9364 -2.9364 -0.4244 -0.4244 -0.4244 -0.4244 3.9875 3.9875 3.9875 3.9875 7.7063 7.7063 7.7063 7.7063 8.0538 8.0538 8.0540 8.0540 9.1488 9.1488 9.1490 9.1490 9.2630 9.2630 9.2633 9.2633 9.7156 9.7156 9.7158 9.7158 10.1228 10.1228 10.1231 10.1231 13.5038 13.5038 13.5039 13.5039 13.9492 13.9492 13.9494 13.9494 k = 0.0000 0.2628-0.0000 ( 3258 PWs) bands (ev): -3.0038 -3.0038 -2.8677 -2.8677 -0.4250 -0.4250 -0.4243 -0.4243 3.9782 3.9782 4.0024 4.0024 7.5723 7.5723 7.8244 7.8244 8.0498 8.0498 8.0644 8.0644 9.1314 9.1314 9.1637 9.1637 9.2521 9.2521 9.2788 9.2788 9.6891 9.6891 9.7408 9.7408 10.1195 10.1195 10.1266 10.1266 13.4301 13.4301 13.5438 13.5438 13.9564 13.9564 13.9776 13.9776 k = 0.0000 0.2537-0.0000 ( 3256 PWs) bands (ev): -3.0698 -3.0698 -2.7979 -2.7979 -0.4259 -0.4259 -0.4248 -0.4248 3.9744 3.9744 4.0230 4.0230 7.4288 7.4288 7.9090 7.9090 8.0571 8.0571 8.0878 8.0878 9.1118 9.1118 9.1757 9.1757 9.2447 9.2447 9.2998 9.2998 9.6608 9.6608 9.7644 9.7644 10.1164 10.1164 10.1304 10.1304 13.3363 13.3363 13.5477 13.5477 13.9874 13.9874 14.0415 14.0415 k = 0.0000 0.2447-0.0000 ( 3264 PWs) bands (ev): -3.1343 -3.1343 -2.7272 -2.7272 -0.4271 -0.4271 -0.4258 -0.4258 3.9760 3.9760 4.0492 4.0492 7.2787 7.2787 7.9406 7.9406 8.0676 8.0676 8.1480 8.1480 9.0906 9.0906 9.1850 9.1850 9.2397 9.2397 9.3260 9.3260 9.6307 9.6307 9.7868 9.7868 10.1134 10.1134 10.1343 10.1343 13.2335 13.2335 13.5289 13.5289 14.0291 14.0291 14.1293 14.1293 k = 0.0000 0.2356-0.0000 ( 3260 PWs) bands (ev): -3.1970 -3.1970 -2.6558 -2.6558 -0.4284 -0.4284 -0.4275 -0.4275 3.9830 3.9830 4.0810 4.0810 7.1240 7.1240 7.9400 7.9400 8.0742 8.0742 8.2295 8.2295 9.0682 9.0682 9.1924 9.1924 9.2368 9.2368 9.3573 9.3573 9.5987 9.5987 9.8081 9.8081 10.1109 10.1109 10.1385 10.1385 13.1280 13.1280 13.5012 13.5012 14.0735 14.0735 14.2002 14.2002 k = 0.0000 0.2265-0.0000 ( 3254 PWs) bands (ev): -3.2581 -3.2581 -2.5838 -2.5838 -0.4302 -0.4302 -0.4293 -0.4293 3.9952 3.9952 4.1184 4.1184 6.9659 6.9659 7.9286 7.9286 8.0771 8.0771 8.3086 8.3086 9.0449 9.0449 9.1985 9.1985 9.2353 9.2353 9.3927 9.3927 9.5649 9.5649 9.8283 9.8283 10.1087 10.1087 10.1428 10.1428 13.0232 13.0232 13.4734 13.4734 14.0964 14.0964 14.1445 14.1445 k = 0.0000 0.2175-0.0000 ( 3254 PWs) bands (ev): -3.3172 -3.3172 -2.5116 -2.5116 -0.4331 -0.4331 -0.4302 -0.4302 4.0125 4.0125 4.1613 4.1613 6.8056 6.8056 7.9131 7.9131 8.0766 8.0766 8.3774 8.3774 9.0209 9.0209 9.2035 9.2035 9.2348 9.2348 9.4310 9.4310 9.5296 9.5296 9.8476 9.8476 10.1066 10.1066 10.1472 10.1472 12.9211 12.9211 13.4507 13.4507 14.0262 14.0262 14.1750 14.1750 k = 0.0000 0.2084-0.0000 ( 3254 PWs) bands (ev): -3.3745 -3.3745 -2.4395 -2.4395 -0.4368 -0.4368 -0.4305 -0.4305 4.0347 4.0347 4.2097 4.2097 6.6439 6.6439 7.8956 7.8956 8.0722 8.0722 8.4333 8.4333 8.9963 8.9963 9.2078 9.2078 9.2351 9.2351 9.4672 9.4672 9.4969 9.4969 9.8662 9.8662 10.1049 10.1049 10.1517 10.1517 12.8231 12.8231 13.4366 13.4366 13.9438 13.9438 14.2170 14.2170 k = 0.0000 0.1993-0.0000 ( 3242 PWs) bands (ev): -3.4297 -3.4297 -2.3676 -2.3676 -0.4411 -0.4411 -0.4300 -0.4300 4.0617 4.0617 4.2635 4.2635 6.4818 6.4818 7.8771 7.8771 8.0634 8.0634 8.4754 8.4754 8.9716 8.9716 9.2114 9.2114 9.2363 9.2363 9.4495 9.4495 9.5175 9.5175 9.8842 9.8842 10.1036 10.1036 10.1563 10.1563 12.7299 12.7299 13.4333 13.4333 13.8623 13.8623 14.2575 14.2575 k = 0.0000 0.1903-0.0000 ( 3242 PWs) bands (ev): -3.4828 -3.4828 -2.2965 -2.2965 -0.4460 -0.4460 -0.4284 -0.4284 4.0931 4.0931 4.3225 4.3225 6.3198 6.3198 7.8579 7.8579 8.0498 8.0498 8.5033 8.5033 8.9468 8.9468 9.2143 9.2143 9.2379 9.2379 9.4115 9.4115 9.5568 9.5568 9.9015 9.9015 10.1025 10.1025 10.1609 10.1609 12.6424 12.6424 13.4424 13.4424 13.7829 13.7829 14.2953 14.2953 k = 0.0000 0.1812-0.0000 ( 3240 PWs) bands (ev): -3.5338 -3.5338 -2.2264 -2.2264 -0.4514 -0.4514 -0.4254 -0.4254 4.1287 4.1287 4.3867 4.3867 6.1588 6.1588 7.8384 7.8384 8.0309 8.0309 8.5171 8.5171 8.9225 8.9225 9.2162 9.2162 9.2401 9.2401 9.3735 9.3735 9.5945 9.5945 9.9184 9.9184 10.1019 10.1019 10.1655 10.1655 12.5608 12.5608 13.4647 13.4647 13.7062 13.7062 14.3300 14.3300 k = 0.0000 0.1722-0.0000 ( 3238 PWs) bands (ev): -3.5825 -3.5825 -2.1577 -2.1577 -0.4572 -0.4572 -0.4208 -0.4208 4.1684 4.1684 4.4558 4.4558 5.9992 5.9992 7.8187 7.8187 8.0063 8.0063 8.5165 8.5165 8.8990 8.8990 9.2164 9.2164 9.2427 9.2427 9.3377 9.3377 9.6288 9.6288 9.9348 9.9348 10.1015 10.1015 10.1701 10.1701 12.4853 12.4853 13.4992 13.4992 13.6340 13.6340 14.3617 14.3617 k = 0.0000 0.1631-0.0000 ( 3238 PWs) bands (ev): -3.6290 -3.6290 -2.0910 -2.0910 -0.4633 -0.4633 -0.4142 -0.4142 4.2118 4.2118 4.5298 4.5298 5.8417 5.8417 7.7991 7.7991 7.9758 7.9758 8.5015 8.5015 8.8768 8.8768 9.2138 9.2138 9.2457 9.2457 9.3067 9.3067 9.6586 9.6586 9.9509 9.9509 10.1016 10.1016 10.1746 10.1746 12.4161 12.4161 13.5277 13.5277 13.5844 13.5844 14.3905 14.3905 k = 0.0000 0.1540-0.0000 ( 3242 PWs) bands (ev): -3.6733 -3.6733 -2.0265 -2.0265 -0.4697 -0.4697 -0.4054 -0.4054 4.2585 4.2585 4.6085 4.6085 5.6869 5.6869 7.7793 7.7793 7.9391 7.9391 8.4720 8.4720 8.8562 8.8562 9.2065 9.2065 9.2488 9.2488 9.2838 9.2838 9.6838 9.6838 9.9666 9.9666 10.1019 10.1019 10.1790 10.1790 12.3532 12.3532 13.4798 13.4798 13.6270 13.6270 14.4165 14.4165 k = 0.0000 0.1450-0.0000 ( 3238 PWs) bands (ev): -3.7151 -3.7151 -1.9648 -1.9648 -0.4763 -0.4763 -0.3941 -0.3941 4.3084 4.3084 4.6916 4.6916 5.5355 5.5355 7.7597 7.7597 7.8965 7.8965 8.4282 8.4282 8.8374 8.8374 9.1937 9.1937 9.2522 9.2522 9.2707 9.2707 9.7042 9.7042 9.9819 9.9819 10.1026 10.1026 10.1833 10.1833 12.2964 12.2964 13.4159 13.4159 13.7007 13.7007 14.4401 14.4401 k = 0.0000 0.1359-0.0000 ( 3242 PWs) bands (ev): -3.7546 -3.7546 -1.9064 -1.9064 -0.4830 -0.4830 -0.3801 -0.3801 4.3609 4.3609 4.7790 4.7790 5.3879 5.3879 7.7399 7.7399 7.8482 7.8482 8.3710 8.3710 8.8207 8.8207 9.1780 9.1780 9.2556 9.2556 9.2651 9.2651 9.7204 9.7204 9.9967 9.9967 10.1036 10.1036 10.1876 10.1876 12.2455 12.2455 13.3533 13.3533 13.7864 13.7864 14.4617 14.4617 k = 0.0000 0.1269-0.0000 ( 3246 PWs) bands (ev): -3.7917 -3.7917 -1.8515 -1.8515 -0.4898 -0.4898 -0.3633 -0.3633 4.4157 4.4157 4.8703 4.8703 5.2450 5.2450 7.7198 7.7198 7.7948 7.7948 8.3017 8.3017 8.8060 8.8060 9.1627 9.1627 9.2592 9.2592 9.2635 9.2635 9.7326 9.7326 10.0111 10.0111 10.1050 10.1050 10.1916 10.1916 12.2002 12.2002 13.2934 13.2934 13.8808 13.8808 14.4819 14.4819 k = 0.0000 0.1178-0.0000 ( 3242 PWs) bands (ev): -3.8264 -3.8264 -1.8005 -1.8005 -0.4964 -0.4964 -0.3438 -0.3438 4.4722 4.4722 4.9641 4.9641 5.1088 5.1088 7.6990 7.6990 7.7369 7.7369 8.2226 8.2226 8.7933 8.7933 9.1495 9.1495 9.2625 9.2625 9.2640 9.2640 9.7415 9.7415 10.0249 10.0249 10.1066 10.1066 10.1956 10.1956 12.1602 12.1602 13.2367 13.2367 13.9809 13.9809 14.5015 14.5015 k = 0.0000 0.1087-0.0000 ( 3240 PWs) bands (ev): -3.8586 -3.8586 -1.7538 -1.7538 -0.5029 -0.5029 -0.3215 -0.3215 4.5299 4.5299 4.9687 4.9687 5.0712 5.0712 7.6755 7.6755 7.6766 7.6766 8.1359 8.1359 8.7825 8.7825 9.1388 9.1388 9.2647 9.2647 9.2665 9.2665 9.7477 9.7477 10.0381 10.0381 10.1086 10.1086 10.1994 10.1994 12.1252 12.1252 13.1834 13.1834 14.0833 14.0833 14.5220 14.5220 k = 0.0000 0.0997-0.0000 ( 3235 PWs) bands (ev): -3.8883 -3.8883 -1.7115 -1.7115 -0.5092 -0.5092 -0.2969 -0.2969 4.5879 4.5879 4.8464 4.8464 5.1709 5.1709 7.6115 7.6115 7.6508 7.6508 8.0452 8.0452 8.7733 8.7733 9.1303 9.1303 9.2665 9.2665 9.2698 9.2698 9.7518 9.7518 10.0506 10.0506 10.1108 10.1108 10.2030 10.2030 12.0947 12.0947 13.1337 13.1337 14.1836 14.1836 14.5458 14.5458 k = 0.0000 0.0906-0.0000 ( 3243 PWs) bands (ev): -3.9154 -3.9154 -1.6737 -1.6737 -0.5152 -0.5152 -0.2703 -0.2703 4.6425 4.6425 4.7318 4.7318 5.2764 5.2764 7.5461 7.5461 7.6187 7.6187 7.9550 7.9550 8.7655 8.7655 9.1236 9.1236 9.2683 9.2683 9.2729 9.2729 9.7541 9.7541 10.0620 10.0620 10.1132 10.1132 10.2063 10.2063 12.0684 12.0684 13.0878 13.0878 14.2753 14.2753 14.5772 14.5772 k = 0.0000 0.0816-0.0000 ( 3243 PWs) bands (ev): -3.9401 -3.9401 -1.6404 -1.6404 -0.5208 -0.5208 -0.2423 -0.2423 4.6089 4.6089 4.7123 4.7123 5.3852 5.3852 7.4804 7.4804 7.5746 7.5746 7.8726 7.8726 8.7591 8.7591 9.1185 9.1185 9.2703 9.2703 9.2760 9.2760 9.7552 9.7552 10.0724 10.0724 10.1159 10.1159 10.2095 10.2095 12.0459 12.0459 13.0458 13.0458 14.3501 14.3501 14.6225 14.6225 k = 0.0000 0.0725-0.0000 ( 3239 PWs) bands (ev): -3.9622 -3.9622 -1.6114 -1.6114 -0.5260 -0.5260 -0.2136 -0.2136 4.5094 4.5094 4.7658 4.7658 5.4966 5.4966 7.4157 7.4157 7.5119 7.5119 7.8058 7.8058 8.7538 8.7538 9.1145 9.1145 9.2722 9.2722 9.2788 9.2788 9.7554 9.7554 10.0817 10.0817 10.1189 10.1189 10.2125 10.2125 12.0269 12.0269 13.0078 13.0078 14.4023 14.4023 14.6848 14.6848 k = 0.0000 0.0634-0.0000 ( 3239 PWs) bands (ev): -3.9817 -3.9817 -1.5867 -1.5867 -0.5308 -0.5308 -0.1852 -0.1852 4.4168 4.4168 4.8193 4.8193 5.6100 5.6100 7.3534 7.3534 7.4282 7.4282 7.7585 7.7585 8.7494 8.7494 9.1115 9.1115 9.2739 9.2739 9.2814 9.2814 9.7550 9.7550 10.0895 10.0895 10.1221 10.1221 10.2152 10.2152 12.0110 12.0110 12.9739 12.9739 14.4347 14.4347 14.7589 14.7589 k = 0.0000 0.0544-0.0000 ( 3239 PWs) bands (ev): -3.9986 -3.9986 -1.5660 -1.5660 -0.5350 -0.5350 -0.1579 -0.1579 4.3339 4.3339 4.8697 4.8697 5.7249 5.7249 7.2946 7.2946 7.3287 7.3287 7.7271 7.7271 8.7458 8.7458 9.1092 9.1092 9.2756 9.2756 9.2836 9.2836 9.7542 9.7542 10.0960 10.0960 10.1255 10.1255 10.2177 10.2177 11.9979 11.9979 12.9444 12.9444 14.4544 14.4544 14.8348 14.8348 k = 0.0000 0.0453-0.0000 ( 3235 PWs) bands (ev): -4.0130 -4.0130 -1.5489 -1.5489 -0.5386 -0.5386 -0.1326 -0.1326 4.2619 4.2619 4.9155 4.9155 5.8402 5.8402 7.2174 7.2174 7.2438 7.2438 7.7061 7.7061 8.7430 8.7430 9.1074 9.1074 9.2770 9.2770 9.2856 9.2856 9.7533 9.7533 10.1011 10.1011 10.1289 10.1289 10.2198 10.2198 11.9873 11.9873 12.9191 12.9191 14.4667 14.4667 14.9041 14.9041 k = 0.0000 0.0362-0.0000 ( 3229 PWs) bands (ev): -4.0248 -4.0248 -1.5354 -1.5354 -0.5416 -0.5416 -0.1104 -0.1104 4.2018 4.2018 4.9554 4.9554 5.9545 5.9545 7.1057 7.1057 7.1968 7.1968 7.6916 7.6916 8.7407 8.7407 9.1061 9.1061 9.2782 9.2782 9.2872 9.2872 9.7524 9.7524 10.1050 10.1050 10.1322 10.1322 10.2217 10.2217 11.9789 11.9789 12.8984 12.8984 14.4745 14.4745 14.9605 14.9605 k = 0.0000 0.0272-0.0000 ( 3233 PWs) bands (ev): -4.0339 -4.0339 -1.5252 -1.5252 -0.5440 -0.5440 -0.0921 -0.0921 4.1541 4.1541 4.9882 4.9882 6.0648 6.0648 6.9952 6.9952 7.1589 7.1589 7.6816 7.6816 8.7390 8.7390 9.1052 9.1052 9.2792 9.2792 9.2885 9.2885 9.7515 9.7515 10.1078 10.1078 10.1349 10.1349 10.2231 10.2231 11.9726 11.9726 12.8821 12.8821 14.4796 14.4796 15.0009 15.0009 k = 0.0000 0.0181-0.0000 ( 3229 PWs) bands (ev): -4.0405 -4.0405 -1.5180 -1.5180 -0.5457 -0.5457 -0.0785 -0.0785 4.1195 4.1195 5.0126 5.0126 6.1653 6.1653 6.8938 6.8938 7.1308 7.1308 7.6751 7.6751 8.7379 8.7379 9.1046 9.1046 9.2799 9.2799 9.2894 9.2894 9.7509 9.7509 10.1096 10.1096 10.1371 10.1371 10.2242 10.2242 11.9682 11.9682 12.8705 12.8705 14.4828 14.4828 15.0257 15.0257 k = 0.0000 0.0091-0.0000 ( 3241 PWs) bands (ev): -4.0444 -4.0444 -1.5137 -1.5137 -0.5468 -0.5468 -0.0700 -0.0700 4.0986 4.0986 5.0276 5.0276 6.2432 6.2432 6.8152 6.8152 7.1135 7.1135 7.6713 7.6713 8.7371 8.7371 9.1042 9.1042 9.2803 9.2803 9.2899 9.2899 9.7505 9.7505 10.1107 10.1107 10.1384 10.1384 10.2247 10.2247 11.9656 11.9656 12.8635 12.8635 14.4845 14.4845 15.0384 15.0384 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0457 -4.0457 -1.5123 -1.5123 -0.5471 -0.5471 -0.0672 -0.0672 4.0916 4.0916 5.0327 5.0327 6.2746 6.2746 6.7835 6.7835 7.1076 7.1076 7.6701 7.6701 8.7369 8.7369 9.1041 9.1041 9.2804 9.2804 9.2901 9.2901 9.7503 9.7503 10.1111 10.1111 10.1389 10.1389 10.2250 10.2250 11.9648 11.9648 12.8612 12.8612 14.4851 14.4851 15.0422 15.0422 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -4.0457 -4.0457 -1.5123 -1.5123 -0.5471 -0.5471 -0.0672 -0.0672 4.0916 4.0916 5.0327 5.0327 6.2746 6.2746 6.7835 6.7835 7.1076 7.1076 7.6701 7.6701 8.7369 8.7369 9.1041 9.1041 9.2804 9.2804 9.2901 9.2901 9.7503 9.7503 10.1111 10.1111 10.1389 10.1389 10.2250 10.2250 11.9648 11.9648 12.8612 12.8612 14.4851 14.4851 15.0422 15.0422 k = 0.0000 0.0000 0.0089 ( 3241 PWs) bands (ev): -4.0445 -4.0445 -1.5188 -1.5188 -0.5423 -0.5423 -0.0668 -0.0668 4.0918 4.0918 5.0342 5.0342 6.2789 6.2789 6.7526 6.7526 7.1273 7.1273 7.6812 7.6812 8.7375 8.7375 9.1038 9.1038 9.2804 9.2804 9.2901 9.2901 9.7500 9.7500 10.1109 10.1109 10.1387 10.1387 10.2246 10.2246 11.9653 11.9653 12.8630 12.8630 14.4682 14.4682 15.0287 15.0287 k = 0.0000 0.0000 0.0178 ( 3243 PWs) bands (ev): -4.0407 -4.0407 -1.5379 -1.5379 -0.5283 -0.5283 -0.0655 -0.0655 4.0921 4.0921 5.0387 5.0387 6.2917 6.2917 6.6778 6.6778 7.1685 7.1685 7.7145 7.7145 8.7390 8.7390 9.1029 9.1029 9.2804 9.2804 9.2902 9.2902 9.7491 9.7491 10.1102 10.1102 10.1380 10.1380 10.2235 10.2235 11.9670 11.9670 12.8686 12.8686 14.4179 14.4179 14.9942 14.9942 k = 0.0000 0.0000 0.0267 ( 3249 PWs) bands (ev): -4.0345 -4.0345 -1.5685 -1.5685 -0.5064 -0.5064 -0.0635 -0.0635 4.0926 4.0926 5.0466 5.0466 6.3125 6.3125 6.5821 6.5821 7.2089 7.2089 7.7694 7.7694 8.7416 8.7416 9.1014 9.1014 9.2804 9.2804 9.2905 9.2905 9.7477 9.7477 10.1092 10.1092 10.1369 10.1369 10.2214 10.2214 11.9699 11.9699 12.8779 12.8779 14.3360 14.3360 14.9495 14.9495 k = 0.0000 0.0000 0.0357 ( 3253 PWs) bands (ev): -4.0257 -4.0257 -1.6088 -1.6088 -0.4779 -0.4779 -0.0606 -0.0606 4.0930 4.0930 5.0585 5.0585 6.3402 6.3402 6.4774 6.4774 7.2399 7.2399 7.8429 7.8429 8.7452 8.7452 9.0992 9.0992 9.2803 9.2803 9.2907 9.2907 9.7459 9.7459 10.1077 10.1077 10.1355 10.1355 10.2188 10.2188 11.9739 11.9739 12.8908 12.8908 14.2275 14.2275 14.9019 14.9019 k = 0.0000 0.0000 0.0446 ( 3249 PWs) bands (ev): -4.0145 -4.0145 -1.6573 -1.6573 -0.4447 -0.4447 -0.0570 -0.0570 4.0931 4.0931 5.0753 5.0753 6.3525 6.3525 6.3907 6.3907 7.2607 7.2607 7.9301 7.9301 8.7499 8.7499 9.0961 9.0961 9.2804 9.2804 9.2911 9.2911 9.7439 9.7439 10.1059 10.1059 10.1337 10.1337 10.2154 10.2154 11.9792 11.9792 12.9073 12.9073 14.0998 14.0998 14.8530 14.8530 k = 0.0000 0.0000 0.0535 ( 3249 PWs) bands (ev): -4.0008 -4.0008 -1.7123 -1.7123 -0.4083 -0.4083 -0.0526 -0.0526 4.0926 4.0926 5.0975 5.0975 6.2501 6.2501 6.4229 6.4229 7.2734 7.2734 8.0259 8.0259 8.7555 8.7555 9.0919 9.0919 9.2803 9.2803 9.2916 9.2916 9.7419 9.7419 10.1037 10.1037 10.1315 10.1315 10.2113 10.2113 11.9859 11.9859 12.9272 12.9272 13.9602 13.9602 14.8013 14.8013 k = 0.0000 0.0000 0.0624 ( 3253 PWs) bands (ev): -3.9847 -3.9847 -1.7725 -1.7725 -0.3699 -0.3699 -0.0475 -0.0475 4.0915 4.0915 5.1258 5.1258 6.1378 6.1378 6.4701 6.4701 7.2799 7.2799 8.1262 8.1262 8.7621 8.7621 9.0862 9.0862 9.2802 9.2802 9.2921 9.2921 9.7401 9.7401 10.1011 10.1011 10.1291 10.1291 10.2068 10.2068 11.9941 11.9941 12.9506 12.9506 13.8151 13.8151 14.7444 14.7444 k = 0.0000 0.0000 0.0713 ( 3257 PWs) bands (ev): -3.9660 -3.9660 -1.8368 -1.8368 -0.3306 -0.3306 -0.0417 -0.0417 4.0897 4.0897 5.1607 5.1607 6.0253 6.0253 6.5228 6.5228 7.2818 7.2818 8.2276 8.2276 8.7696 8.7696 9.0788 9.0788 9.2801 9.2801 9.2927 9.2927 9.7391 9.7391 10.0983 10.0983 10.1265 10.1265 10.2016 10.2016 12.0038 12.0038 12.9772 12.9772 13.6693 13.6693 14.6800 14.6800 k = 0.0000 0.0000 0.0802 ( 3249 PWs) bands (ev): -3.9450 -3.9450 -1.9041 -1.9041 -0.2913 -0.2913 -0.0353 -0.0353 4.0874 4.0874 5.2024 5.2024 5.9138 5.9138 6.5799 6.5799 7.2801 7.2801 8.3272 8.3272 8.7782 8.7782 9.0691 9.0691 9.2799 9.2799 9.2933 9.2933 9.7394 9.7394 10.0953 10.0953 10.1238 10.1238 10.1962 10.1962 12.0154 12.0154 13.0068 13.0068 13.5268 13.5268 14.6066 14.6066 k = 0.0000 0.0000 0.0892 ( 3255 PWs) bands (ev): -3.9215 -3.9215 -1.9739 -1.9739 -0.2526 -0.2526 -0.0284 -0.0284 4.0848 4.0848 5.2508 5.2508 5.8041 5.8041 6.6406 6.6406 7.2754 7.2754 8.4226 8.4226 8.7876 8.7876 9.0566 9.0566 9.2799 9.2799 9.2940 9.2940 9.7418 9.7418 10.0919 10.0919 10.1209 10.1209 10.1903 10.1903 12.0288 12.0288 13.0389 13.0389 13.3910 13.3910 14.5237 14.5237 k = 0.0000 0.0000 0.0981 ( 3251 PWs) bands (ev): -3.8955 -3.8955 -2.0455 -2.0455 -0.2151 -0.2151 -0.0210 -0.0210 4.0823 4.0823 5.3054 5.3054 5.6970 5.6970 6.7043 6.7043 7.2680 7.2680 8.5118 8.5118 8.7979 8.7979 9.0408 9.0408 9.2800 9.2800 9.2949 9.2949 9.7469 9.7469 10.0885 10.0885 10.1180 10.1180 10.1843 10.1843 12.0442 12.0442 13.0723 13.0723 13.2656 13.2656 14.4320 14.4320 k = 0.0000 0.0000 0.1070 ( 3248 PWs) bands (ev): -3.8672 -3.8672 -2.1183 -2.1183 -0.1792 -0.1792 -0.0131 -0.0131 4.0804 4.0804 5.3643 5.3643 5.5947 5.5947 6.7704 6.7704 7.2581 7.2581 8.5924 8.5924 8.8090 8.8090 9.0211 9.0211 9.2805 9.2805 9.2957 9.2957 9.7557 9.7557 10.0850 10.0850 10.1151 10.1151 10.1782 10.1782 12.0620 12.0620 13.0933 13.0933 13.1662 13.1662 14.3328 14.3328 k = 0.0000 0.0000 0.1159 ( 3250 PWs) bands (ev): -3.8365 -3.8365 -2.1920 -2.1920 -0.1452 -0.1452 -0.0049 -0.0049 4.0793 4.0793 5.4118 5.4118 5.5124 5.5124 6.8385 6.8385 7.2458 7.2458 8.6620 8.6620 8.8208 8.8208 8.9977 8.9977 9.2813 9.2813 9.2966 9.2966 9.7686 9.7686 10.0815 10.0815 10.1123 10.1123 10.1719 10.1719 12.0822 12.0822 13.0280 13.0280 13.1687 13.1687 14.2278 14.2278 k = 0.0000 0.0000 0.1248 ( 3242 PWs) bands (ev): -3.8034 -3.8034 -2.2661 -2.2661 -0.1133 -0.1133 0.0035 0.0035 4.0798 4.0798 5.3650 5.3650 5.5330 5.5330 6.9080 6.9080 7.2309 7.2309 8.7171 8.7171 8.8334 8.8334 8.9723 8.9723 9.2825 9.2825 9.2975 9.2975 9.7861 9.7861 10.0781 10.0781 10.1097 10.1097 10.1658 10.1658 12.1052 12.1052 12.9421 12.9421 13.2086 13.2086 14.1186 14.1186 k = 0.0000 0.0000 0.1337 ( 3244 PWs) bands (ev): -3.7681 -3.7681 -2.3404 -2.3404 -0.0837 -0.0837 0.0121 0.0121 4.0821 4.0821 5.2740 5.2740 5.6059 5.6059 6.9787 6.9787 7.2135 7.2135 8.7517 8.7517 8.8465 8.8465 8.9499 8.9499 9.2842 9.2842 9.2984 9.2984 9.8080 9.8080 10.0746 10.0746 10.1072 10.1072 10.1598 10.1598 12.1311 12.1311 12.8691 12.8691 13.2541 13.2541 14.0068 14.0068 k = 0.0000 0.0000 0.1427 ( 3240 PWs) bands (ev): -3.7303 -3.7303 -2.4146 -2.4146 -0.0565 -0.0565 0.0207 0.0207 4.0869 4.0869 5.1809 5.1809 5.6886 5.6886 7.0497 7.0497 7.1939 7.1939 8.7564 8.7564 8.8601 8.8601 8.9398 8.9398 9.2863 9.2863 9.2993 9.2993 9.8334 9.8334 10.0714 10.0714 10.1049 10.1049 10.1539 10.1539 12.1602 12.1602 12.8123 12.8123 13.3026 13.3026 13.8935 13.8935 k = 0.0000 0.0000 0.1516 ( 3238 PWs) bands (ev): -3.6904 -3.6904 -2.4885 -2.4885 -0.0318 -0.0318 0.0293 0.0293 4.0944 4.0944 5.0898 5.0898 5.7763 5.7763 7.1177 7.1177 7.1749 7.1749 8.7283 8.7283 8.8737 8.8737 8.9456 8.9456 9.2886 9.2886 9.3002 9.3002 9.8612 9.8612 10.0683 10.0683 10.1030 10.1030 10.1483 10.1483 12.1928 12.1928 12.7729 12.7729 13.3534 13.3534 13.7799 13.7799 k = 0.0000 0.0000 0.1605 ( 3230 PWs) bands (ev): -3.6481 -3.6481 -2.5619 -2.5619 -0.0097 -0.0097 0.0377 0.0377 4.1051 4.1051 5.0017 5.0017 5.8675 5.8675 7.1342 7.1342 7.2049 7.2049 8.6771 8.6771 8.8875 8.8875 8.9591 8.9591 9.2910 9.2910 9.3011 9.3011 9.8899 9.8899 10.0655 10.0655 10.1015 10.1015 10.1430 10.1430 12.2291 12.2291 12.7515 12.7515 13.4060 13.4060 13.6673 13.6673 k = 0.0000 0.0000 0.1694 ( 3228 PWs) bands (ev): -3.6037 -3.6037 -2.6346 -2.6346 0.0099 0.0099 0.0457 0.0457 4.1192 4.1192 4.9170 4.9170 5.9612 5.9612 7.1066 7.1066 7.2759 7.2759 8.6118 8.6118 8.9012 8.9012 8.9729 8.9729 9.2934 9.2934 9.3019 9.3019 9.9179 9.9179 10.0628 10.0628 10.1004 10.1004 10.1379 10.1379 12.2693 12.2693 12.7479 12.7479 13.4587 13.4587 13.5580 13.5580 k = 0.0000 0.0000 0.1783 ( 3230 PWs) bands (ev): -3.5571 -3.5571 -2.7064 -2.7064 0.0269 0.0269 0.0533 0.0533 4.1371 4.1371 4.8358 4.8358 6.0563 6.0563 7.0721 7.0721 7.3504 7.3504 8.5371 8.5371 8.9147 8.9147 8.9843 8.9843 9.2957 9.2957 9.3026 9.3026 9.9440 9.9440 10.0603 10.0603 10.0998 10.0998 10.1334 10.1334 12.3137 12.3137 12.7615 12.7615 13.4402 13.4402 13.5238 13.5238 k = 0.0000 0.0000 0.1872 ( 3234 PWs) bands (ev): -3.5083 -3.5083 -2.7772 -2.7772 0.0414 0.0414 0.0603 0.0603 4.1589 4.1589 4.7584 4.7584 6.1519 6.1519 7.0327 7.0327 7.4264 7.4264 8.4558 8.4558 8.9279 8.9279 8.9926 8.9926 9.2977 9.2977 9.3033 9.3033 9.9672 9.9672 10.0579 10.0579 10.0998 10.0998 10.1292 10.1292 12.3624 12.3624 12.7910 12.7910 13.3372 13.3372 13.5785 13.5785 k = 0.0000 0.0000 0.1962 ( 3234 PWs) bands (ev): -3.4575 -3.4575 -2.8468 -2.8468 0.0535 0.0535 0.0666 0.0666 4.1848 4.1848 4.6849 4.6849 6.2470 6.2470 6.9881 6.9881 7.5040 7.5040 8.3699 8.3699 8.9405 8.9405 8.9979 8.9979 9.2995 9.2995 9.3038 9.3038 9.9870 9.9870 10.0555 10.0555 10.1004 10.1004 10.1254 10.1254 12.4156 12.4156 12.8342 12.8342 13.2365 13.2365 13.6352 13.6352 k = 0.0000 0.0000 0.2051 ( 3232 PWs) bands (ev): -3.4046 -3.4046 -2.9151 -2.9151 0.0632 0.0632 0.0720 0.0720 4.2150 4.2150 4.6154 4.6154 6.3406 6.3406 6.9382 6.9382 7.5831 7.5831 8.2810 8.2810 8.9524 8.9524 9.0005 9.0005 9.3011 9.3011 9.3043 9.3043 10.0033 10.0033 10.0531 10.0531 10.1016 10.1016 10.1220 10.1220 12.4735 12.4735 12.8863 12.8863 13.1439 13.1439 13.6611 13.6611 k = 0.0000 0.0000 0.2140 ( 3228 PWs) bands (ev): -3.3497 -3.3497 -2.9821 -2.9821 0.0707 0.0707 0.0762 0.0762 4.2496 4.2496 4.5501 4.5501 6.4316 6.4316 6.8826 6.8826 7.6642 7.6642 8.1904 8.1904 8.9634 8.9634 9.0007 9.0007 9.3023 9.3023 9.3046 9.3046 10.0163 10.0163 10.0506 10.0506 10.1033 10.1033 10.1189 10.1189 12.5362 12.5362 12.9284 12.9284 13.0771 13.0771 13.5699 13.5699 k = 0.0000 0.0000 0.2229 ( 3228 PWs) bands (ev): -3.2929 -3.2929 -3.0476 -3.0476 0.0761 0.0761 0.0793 0.0793 4.2886 4.2886 4.4890 4.4890 6.5192 6.5192 6.8212 6.8212 7.7472 7.7472 8.0994 8.0994 8.9733 8.9733 8.9987 8.9987 9.3033 9.3033 9.3048 9.3048 10.0263 10.0263 10.0476 10.0476 10.1055 10.1055 10.1160 10.1160 12.6035 12.6035 12.9017 12.9017 13.0935 13.0935 13.4646 13.4646 k = 0.0000 0.0000 0.2318 ( 3224 PWs) bands (ev): -3.2342 -3.2342 -3.1115 -3.1115 0.0795 0.0795 0.0810 0.0810 4.3320 4.3320 4.4323 4.4323 6.6026 6.6026 6.7540 6.7540 7.8325 7.8325 8.0090 8.0090 8.9819 8.9819 8.9948 8.9948 9.3040 9.3040 9.3048 9.3048 10.0339 10.0339 10.0441 10.0441 10.1080 10.1080 10.1133 10.1133 12.6754 12.6754 12.8292 12.8292 13.1687 13.1687 13.3606 13.3606 k = 0.0000 0.0000 0.2407 ( 3224 PWs) bands (ev): -3.1737 -3.1737 -3.1737 -3.1737 0.0811 0.0811 0.0811 0.0811 4.3799 4.3799 4.3800 4.3800 6.6810 6.6810 6.6811 6.6811 7.9198 7.9198 7.9199 7.9199 8.9891 8.9891 8.9893 8.9893 9.3044 9.3044 9.3046 9.3046 10.0396 10.0396 10.0398 10.0398 10.1104 10.1104 10.1107 10.1107 12.7512 12.7512 12.7513 12.7513 13.2608 13.2608 13.2609 13.2609 k = 0.0000 0.0000 0.2407 ( 3224 PWs) bands (ev): -3.1737 -3.1737 -3.1737 -3.1737 0.0811 0.0811 0.0811 0.0811 4.3799 4.3799 4.3800 4.3800 6.6810 6.6810 6.6811 6.6811 7.9198 7.9198 7.9199 7.9199 8.9891 8.9891 8.9893 8.9893 9.3044 9.3044 9.3046 9.3046 10.0396 10.0396 10.0398 10.0398 10.1104 10.1104 10.1107 10.1107 12.7512 12.7512 12.7513 12.7513 13.2608 13.2608 13.2609 13.2609 k = 0.0091-0.0000 0.2407 ( 3222 PWs) bands (ev): -3.1724 -3.1724 -3.1723 -3.1723 0.0822 0.0822 0.0822 0.0822 4.3811 4.3811 4.3813 4.3813 6.6820 6.6820 6.6822 6.6822 7.9195 7.9195 7.9198 7.9198 8.9883 8.9883 8.9898 8.9898 9.3040 9.3040 9.3043 9.3043 10.0196 10.0196 10.0518 10.0518 10.0978 10.0978 10.1289 10.1289 12.7503 12.7503 12.7513 12.7513 13.2564 13.2564 13.2661 13.2661 k = 0.0182-0.0000 0.2407 ( 3226 PWs) bands (ev): -3.1683 -3.1683 -3.1683 -3.1683 0.0853 0.0853 0.0854 0.0854 4.3849 4.3849 4.3853 4.3853 6.6852 6.6852 6.6857 6.6857 7.9190 7.9190 7.9195 7.9195 8.9872 8.9872 8.9902 8.9902 9.3029 9.3029 9.3032 9.3032 9.9964 9.9964 10.0447 10.0447 10.1016 10.1016 10.1477 10.1477 12.7482 12.7482 12.7504 12.7504 13.2523 13.2523 13.2724 13.2724 k = 0.0273-0.0000 0.2407 ( 3230 PWs) bands (ev): -3.1616 -3.1616 -3.1616 -3.1616 0.0907 0.0907 0.0908 0.0908 4.3911 4.3911 4.3918 4.3918 6.6907 6.6907 6.6913 6.6913 7.9182 7.9182 7.9189 7.9189 8.9857 8.9857 8.9904 8.9904 9.3010 9.3010 9.3013 9.3013 9.9713 9.9713 10.0241 10.0241 10.1163 10.1163 10.1660 10.1660 12.7446 12.7446 12.7481 12.7481 13.2480 13.2480 13.2798 13.2798 k = 0.0364-0.0000 0.2407 ( 3226 PWs) bands (ev): -3.1522 -3.1522 -3.1521 -3.1521 0.0981 0.0981 0.0983 0.0983 4.4000 4.4000 4.4008 4.4008 6.6983 6.6983 6.6991 6.6991 7.9170 7.9170 7.9181 7.9181 8.9837 8.9837 8.9903 8.9903 9.2983 9.2983 9.2988 9.2988 9.9446 9.9446 9.9990 9.9990 10.1331 10.1331 10.1834 10.1834 12.7387 12.7387 12.7441 12.7441 13.2422 13.2422 13.2882 13.2882 k = 0.0455-0.0000 0.2407 ( 3226 PWs) bands (ev): -3.1401 -3.1401 -3.1401 -3.1401 0.1077 0.1077 0.1079 0.1079 4.4114 4.4114 4.4124 4.4124 6.7081 6.7081 6.7091 6.7091 7.9156 7.9156 7.9170 7.9170 8.9811 8.9811 8.9898 8.9898 9.2945 9.2945 9.2957 9.2957 9.9162 9.9162 9.9712 9.9712 10.1498 10.1498 10.1999 10.1999 12.7295 12.7295 12.7372 12.7372 13.2334 13.2334 13.2967 13.2967 k = 0.0545-0.0000 0.2407 ( 3238 PWs) bands (ev): -3.1254 -3.1254 -3.1253 -3.1253 0.1194 0.1194 0.1196 0.1196 4.4253 4.4253 4.4265 4.4265 6.7201 6.7201 6.7212 6.7212 7.9139 7.9139 7.9155 7.9155 8.9776 8.9776 8.9887 8.9887 9.2895 9.2895 9.2919 9.2919 9.8863 9.8863 9.9413 9.9413 10.1658 10.1658 10.2152 10.2152 12.7148 12.7148 12.7260 12.7260 13.2193 13.2193 13.3037 13.3037 k = 0.0636-0.0000 0.2407 ( 3242 PWs) bands (ev): -3.1079 -3.1079 -3.1078 -3.1078 0.1332 0.1332 0.1334 0.1334 4.4417 4.4417 4.4431 4.4431 6.7341 6.7341 6.7354 6.7354 7.9118 7.9118 7.9138 7.9138 8.9729 8.9729 8.9869 8.9869 9.2832 9.2832 9.2877 9.2877 9.8549 9.8549 9.9095 9.9095 10.1810 10.1810 10.2297 10.2297 12.6920 12.6920 12.7079 12.7079 13.1979 13.1979 13.3040 13.3040 k = 0.0727-0.0000 0.2407 ( 3238 PWs) bands (ev): -3.0878 -3.0878 -3.0877 -3.0877 0.1490 0.1490 0.1493 0.1493 4.4606 4.4606 4.4622 4.4622 6.7502 6.7502 6.7516 6.7516 7.9095 7.9095 7.9118 7.9118 8.9668 8.9668 8.9840 8.9840 9.2757 9.2757 9.2829 9.2829 9.8221 9.8221 9.8758 9.8758 10.1954 10.1954 10.2432 10.2432 12.6571 12.6571 12.6795 12.6795 13.1691 13.1691 13.2849 13.2849 k = 0.0818-0.0000 0.2407 ( 3238 PWs) bands (ev): -3.0651 -3.0651 -3.0650 -3.0650 0.1669 0.1669 0.1673 0.1673 4.4820 4.4820 4.4838 4.4838 6.7682 6.7682 6.7698 6.7698 7.9067 7.9067 7.9094 7.9094 8.9585 8.9585 8.9796 8.9796 9.2668 9.2668 9.2776 9.2776 9.7880 9.7880 9.8403 9.8403 10.2089 10.2089 10.2557 10.2557 12.6061 12.6061 12.6361 12.6361 13.1366 13.1366 13.2381 13.2381 k = 0.0909-0.0000 0.2407 ( 3242 PWs) bands (ev): -3.0397 -3.0397 -3.0395 -3.0395 0.1869 0.1869 0.1872 0.1872 4.5058 4.5058 4.5078 4.5078 6.7882 6.7882 6.7899 6.7899 7.9036 7.9036 7.9067 7.9067 8.9477 8.9477 8.9728 8.9728 9.2564 9.2564 9.2718 9.2718 9.7527 9.7527 9.8030 9.8030 10.2215 10.2215 10.2671 10.2671 12.5365 12.5365 12.5737 12.5737 13.1066 13.1066 13.1832 13.1832 k = 0.1000-0.0000 0.2407 ( 3238 PWs) bands (ev): -3.0117 -3.0117 -3.0115 -3.0115 0.2088 0.2088 0.2092 0.2092 4.5320 4.5320 4.5342 4.5342 6.8100 6.8100 6.8118 6.8118 7.9002 7.9002 7.9037 7.9037 8.9334 8.9334 8.9630 8.9630 9.2446 9.2446 9.2657 9.2657 9.7167 9.7167 9.7643 9.7643 10.2331 10.2331 10.2776 10.2776 12.4490 12.4490 12.4915 12.4915 13.0840 13.0840 13.1387 13.1387 k = 0.1091-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.9810 -2.9810 -2.9808 -2.9808 0.2327 0.2327 0.2332 0.2332 4.5607 4.5607 4.5629 4.5629 6.8335 6.8335 6.8353 6.8353 7.8963 7.8963 7.9004 7.9004 8.9147 8.9147 8.9487 8.9487 9.2316 9.2316 9.2592 9.2592 9.6803 9.6803 9.7242 9.7242 10.2437 10.2437 10.2869 10.2869 12.3475 12.3475 12.3926 12.3926 13.0700 13.0700 13.1089 13.1089 k = 0.1182-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.9478 -2.9478 -2.9476 -2.9476 0.2586 0.2586 0.2591 0.2591 4.5916 4.5916 4.5940 4.5940 6.8585 6.8585 6.8603 6.8603 7.8921 7.8921 7.8966 7.8966 8.8905 8.8905 8.9284 8.9284 9.2180 9.2180 9.2527 9.2527 9.6443 9.6443 9.6835 9.6835 10.2534 10.2534 10.2953 10.2953 12.2371 12.2371 12.2826 12.2826 13.0640 13.0640 13.0921 13.0921 k = 0.1273-0.0000 0.2407 ( 3252 PWs) bands (ev): -2.9119 -2.9119 -2.9117 -2.9117 0.2864 0.2864 0.2870 0.2870 4.6249 4.6249 4.6274 4.6274 6.8850 6.8850 6.8868 6.8868 7.8874 7.8874 7.8926 7.8926 8.8597 8.8597 8.9002 8.9002 9.2046 9.2046 9.2461 9.2461 9.6091 9.6091 9.6426 9.6426 10.2620 10.2620 10.3026 10.3026 12.1226 12.1226 12.1671 12.1671 13.0641 13.0641 13.0851 13.0851 k = 0.1364-0.0000 0.2407 ( 3248 PWs) bands (ev): -2.8735 -2.8735 -2.8733 -2.8733 0.3160 0.3160 0.3166 0.3166 4.6605 4.6605 4.6629 4.6629 6.9126 6.9126 6.9143 6.9143 7.8823 7.8823 7.8881 7.8881 8.8210 8.8210 8.8624 8.8624 9.1921 9.1921 9.2397 9.2397 9.5754 9.5754 9.6022 9.6022 10.2696 10.2696 10.3088 10.3088 12.0077 12.0077 12.0506 12.0506 13.0690 13.0690 13.0852 13.0852 k = 0.1455-0.0000 0.2407 ( 3252 PWs) bands (ev): -2.8325 -2.8325 -2.8323 -2.8323 0.3475 0.3475 0.3481 0.3481 4.6982 4.6982 4.7007 4.7007 6.9412 6.9412 6.9427 6.9427 7.8767 7.8767 7.8832 7.8832 8.7734 8.7734 8.8136 8.8136 9.1811 9.1811 9.2334 9.2334 9.5436 9.5436 9.5631 9.5631 10.2762 10.2762 10.3138 10.3138 11.8953 11.8953 11.9364 11.9364 13.0776 13.0776 13.0904 13.0904 k = 0.1545-0.0000 0.2407 ( 3252 PWs) bands (ev): -2.7890 -2.7890 -2.7887 -2.7887 0.3807 0.3807 0.3814 0.3814 4.7381 4.7381 4.7405 4.7405 6.9703 6.9703 6.9716 6.9716 7.8705 7.8705 7.8779 7.8779 8.7161 8.7161 8.7532 8.7532 9.1721 9.1721 9.2274 9.2274 9.5140 9.5140 9.5260 9.5260 10.2816 10.2816 10.3178 10.3178 11.7877 11.7877 11.8269 11.8269 13.0889 13.0889 13.0993 13.0993 k = 0.1636-0.0000 0.2407 ( 3252 PWs) bands (ev): -2.7430 -2.7430 -2.7427 -2.7427 0.4156 0.4156 0.4164 0.4164 4.7800 4.7800 4.7824 4.7824 6.9997 6.9997 7.0007 7.0007 7.8637 7.8637 7.8719 7.8719 8.6491 8.6491 8.6818 8.6818 9.1647 9.1647 9.2215 9.2215 9.4864 9.4864 9.4912 9.4912 10.2860 10.2860 10.3205 10.3205 11.6863 11.6863 11.7235 11.7235 13.1024 13.1024 13.1110 13.1110 k = 0.1727-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.6945 -2.6945 -2.6942 -2.6942 0.4521 0.4521 0.4530 0.4530 4.8239 4.8239 4.8261 4.8261 7.0286 7.0286 7.0291 7.0291 7.8560 7.8560 7.8652 7.8652 8.5729 8.5729 8.6004 8.6004 9.1588 9.1588 9.2155 9.2155 9.4592 9.4592 9.4607 9.4607 10.2892 10.2892 10.3221 10.3221 11.5921 11.5921 11.6275 11.6275 13.1176 13.1176 13.1248 13.1248 k = 0.1818-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.6435 -2.6435 -2.6432 -2.6432 0.4902 0.4902 0.4912 0.4912 4.8698 4.8698 4.8717 4.8717 7.0563 7.0563 7.0563 7.0563 7.8471 7.8471 7.8574 7.8574 8.4891 8.4891 8.5112 8.5112 9.1536 9.1536 9.2090 9.2090 9.4299 9.4299 9.4366 9.4366 10.2912 10.2912 10.3225 10.3225 11.5058 11.5058 11.5392 11.5392 13.1339 13.1339 13.1401 13.1401 k = 0.1909-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.5901 -2.5901 -2.5898 -2.5898 0.5298 0.5298 0.5308 0.5308 4.9174 4.9174 4.9190 4.9190 7.0810 7.0810 7.0817 7.0817 7.8366 7.8366 7.8481 7.8481 8.3999 8.3999 8.4167 8.4167 9.1485 9.1485 9.2015 9.2015 9.4034 9.4034 9.4138 9.4138 10.2921 10.2921 10.3217 10.3217 11.4274 11.4274 11.4590 11.4590 13.1507 13.1507 13.1562 13.1562 k = 0.2000-0.0000 0.2407 ( 3246 PWs) bands (ev): -2.5344 -2.5344 -2.5341 -2.5341 0.5707 0.5707 0.5719 0.5719 4.9667 4.9667 4.9678 4.9678 7.1017 7.1017 7.1034 7.1034 7.8235 7.8235 7.8364 7.8364 8.3088 8.3088 8.3207 8.3207 9.1430 9.1430 9.1923 9.1923 9.3799 9.3799 9.3922 9.3922 10.2918 10.2918 10.3197 10.3197 11.3571 11.3571 11.3868 11.3868 13.1670 13.1670 13.1723 13.1723 k = 0.2091-0.0000 0.2407 ( 3242 PWs) bands (ev): -2.4762 -2.4762 -2.4759 -2.4759 0.6130 0.6130 0.6143 0.6143 5.0175 5.0175 5.0179 5.0179 7.1160 7.1160 7.1191 7.1191 7.8065 7.8065 7.8207 7.8207 8.2204 8.2204 8.2282 8.2282 9.1363 9.1363 9.1806 9.1806 9.3595 9.3595 9.3719 9.3719 10.2903 10.2903 10.3165 10.3165 11.2945 11.2945 11.3223 11.3223 13.1784 13.1784 13.1853 13.1853 k = 0.2182-0.0000 0.2407 ( 3242 PWs) bands (ev): -2.4158 -2.4158 -2.4155 -2.4155 0.6564 0.6564 0.6578 0.6578 5.0692 5.0692 5.0696 5.0696 7.1206 7.1206 7.1255 7.1255 7.7837 7.7837 7.7991 7.7991 8.1411 8.1411 8.1455 8.1455 9.1276 9.1276 9.1657 9.1657 9.3422 9.3422 9.3528 9.3528 10.2875 10.2875 10.3121 10.3121 11.2391 11.2391 11.2651 11.2651 13.1455 13.1455 13.1689 13.1689 k = 0.2273-0.0000 0.2407 ( 3240 PWs) bands (ev): -2.3532 -2.3532 -2.3528 -2.3528 0.7009 0.7009 0.7024 0.7024 5.1214 5.1214 5.1229 5.1229 7.1112 7.1112 7.1185 7.1185 7.7543 7.7543 7.7705 7.7705 8.0771 8.0771 8.0795 8.0795 9.1160 9.1160 9.1468 9.1468 9.3283 9.3283 9.3356 9.3356 10.2835 10.2835 10.3065 10.3065 11.1906 11.1906 11.2146 11.2146 13.0215 13.0215 13.0522 13.0522 k = 0.2364-0.0000 0.2407 ( 3240 PWs) bands (ev): -2.2883 -2.2883 -2.2879 -2.2879 0.7463 0.7463 0.7480 0.7480 5.1741 5.1741 5.1770 5.1770 7.0827 7.0827 7.0932 7.0932 7.7207 7.7207 7.7370 7.7370 8.0323 8.0323 8.0339 8.0339 9.1008 9.1008 9.1237 9.1237 9.3175 9.3175 9.3205 9.3205 10.2783 10.2783 10.2998 10.2998 11.1482 11.1482 11.1704 11.1704 12.8812 12.8812 12.9096 12.9096 k = 0.2455-0.0000 0.2407 ( 3250 PWs) bands (ev): -2.2213 -2.2213 -2.2209 -2.2209 0.7925 0.7925 0.7943 0.7943 5.2267 5.2267 5.2316 5.2316 7.0313 7.0313 7.0457 7.0457 7.6887 7.6887 7.7051 7.7051 8.0055 8.0055 8.0070 8.0070 9.0814 9.0814 9.0965 9.0965 9.3078 9.3078 9.3095 9.3095 10.2717 10.2717 10.2918 10.2918 11.1113 11.1113 11.1317 11.1317 12.7420 12.7420 12.7683 12.7683 k = 0.2545-0.0000 0.2407 ( 3244 PWs) bands (ev): -2.1522 -2.1522 -2.1518 -2.1518 0.8393 0.8393 0.8412 0.8412 5.2789 5.2789 5.2863 5.2863 6.9569 6.9569 6.9759 6.9759 7.6641 7.6641 7.6810 7.6810 7.9927 7.9927 7.9939 7.9939 9.0577 9.0577 9.0658 9.0658 9.2978 9.2978 9.3037 9.3037 10.2639 10.2639 10.2828 10.2828 11.0796 11.0796 11.0981 11.0981 12.6074 12.6074 12.6319 12.6319 k = 0.2636-0.0000 0.2407 ( 3252 PWs) bands (ev): -2.0811 -2.0811 -2.0807 -2.0807 0.8865 0.8865 0.8886 0.8886 5.3295 5.3295 5.3402 5.3402 6.8633 6.8633 6.8876 6.8876 7.6480 7.6480 7.6660 7.6660 7.9900 7.9900 7.9901 7.9901 9.0299 9.0299 9.0318 9.0318 9.2903 9.2903 9.2996 9.2996 10.2548 10.2548 10.2725 10.2725 11.0522 11.0522 11.0689 11.0689 12.4785 12.4785 12.5018 12.5018 k = 0.2727-0.0000 0.2407 ( 3260 PWs) bands (ev): -2.0081 -2.0081 -2.0077 -2.0077 0.9339 0.9339 0.9362 0.9362 5.3775 5.3775 5.3925 5.3925 6.7565 6.7565 6.7871 6.7871 7.6386 7.6386 7.6584 7.6584 7.9924 7.9924 7.9943 7.9943 8.9954 8.9954 8.9988 8.9988 9.2851 9.2851 9.2968 9.2968 10.2443 10.2443 10.2611 10.2611 11.0287 11.0287 11.0437 11.0437 12.3563 12.3563 12.3787 12.3787 k = 0.2818-0.0000 0.2407 ( 3260 PWs) bands (ev): -1.9332 -1.9332 -1.9328 -1.9328 0.9813 0.9813 0.9838 0.9838 5.4210 5.4210 5.4418 5.4418 6.6430 6.6430 6.6812 6.6812 7.6331 7.6331 7.6555 7.6555 7.9984 7.9984 8.0033 8.0033 8.9574 8.9574 8.9654 8.9654 9.2817 9.2817 9.2950 9.2950 10.2325 10.2325 10.2485 10.2485 11.0088 11.0088 11.0221 11.0221 12.2412 12.2412 12.2629 12.2629 k = 0.2909-0.0000 0.2407 ( 3260 PWs) bands (ev): -1.8566 -1.8566 -1.8562 -1.8562 1.0285 1.0285 1.0312 1.0312 5.4573 5.4573 5.4857 5.4857 6.5289 6.5289 6.5764 6.5764 7.6294 7.6294 7.6550 7.6550 8.0058 8.0058 8.0149 8.0149 8.9189 8.9189 8.9309 8.9309 9.2798 9.2798 9.2940 9.2940 10.2194 10.2194 10.2347 10.2347 10.9919 10.9919 11.0036 11.0036 12.1335 12.1335 12.1548 12.1548 k = 0.3000-0.0000 0.2407 ( 3260 PWs) bands (ev): -1.7785 -1.7785 -1.7781 -1.7781 1.0751 1.0751 1.0781 1.0781 5.4827 5.4827 5.5206 5.5206 6.4207 6.4207 6.4793 6.4793 7.6261 7.6261 7.6556 7.6556 8.0125 8.0125 8.0268 8.0268 8.8811 8.8811 8.8970 8.8970 9.2792 9.2792 9.2936 9.2936 10.2049 10.2049 10.2197 10.2197 10.9777 10.9777 10.9878 10.9878 12.0334 12.0334 12.0545 12.0545 k = 0.3091-0.0000 0.2407 ( 3262 PWs) bands (ev): -1.6988 -1.6988 -1.6984 -1.6984 1.1209 1.1209 1.1241 1.1241 5.4921 5.4921 5.5410 5.5410 6.3260 6.3260 6.3971 6.3971 7.6224 7.6224 7.6565 7.6565 8.0160 8.0160 8.0366 8.0366 8.8459 8.8459 8.8655 8.8655 9.2796 9.2796 9.2939 9.2939 10.1890 10.1890 10.2035 10.2035 10.9657 10.9657 10.9744 10.9744 11.9410 11.9410 11.9619 11.9619 k = 0.3182-0.0000 0.2407 ( 3250 PWs) bands (ev): -1.6178 -1.6178 -1.6174 -1.6174 1.1655 1.1655 1.1690 1.1690 5.4803 5.4803 5.5395 5.5395 6.2536 6.2536 6.3367 6.3367 7.6179 7.6179 7.6573 7.6573 8.0142 8.0142 8.0421 8.0421 8.8150 8.8150 8.8383 8.8383 9.2811 9.2811 9.2947 9.2947 10.1719 10.1719 10.1862 10.1862 10.9558 10.9558 10.9630 10.9630 11.8560 11.8560 11.8770 11.8770 k = 0.3273-0.0000 0.2407 ( 3254 PWs) bands (ev): -1.5357 -1.5357 -1.5352 -1.5352 1.2086 1.2086 1.2124 1.2124 5.4439 5.4439 5.5097 5.5097 6.2110 6.2110 6.3023 6.3023 7.6124 7.6124 7.6578 7.6578 8.0047 8.0047 8.0408 8.0408 8.7905 8.7905 8.8171 8.8171 9.2833 9.2833 9.2960 9.2960 10.1536 10.1536 10.1678 10.1678 10.9475 10.9475 10.9533 10.9533 11.7784 11.7784 11.7994 11.7994 k = 0.3364-0.0000 0.2407 ( 3250 PWs) bands (ev): -1.4526 -1.4526 -1.4521 -1.4521 1.2498 1.2498 1.2540 1.2540 5.3842 5.3842 5.4514 5.4514 6.1994 6.1994 6.2937 6.2937 7.6056 7.6056 7.6580 7.6580 7.9864 7.9864 8.0313 8.0313 8.7739 8.7739 8.8033 8.8033 9.2865 9.2865 9.2981 9.2981 10.1341 10.1341 10.1484 10.1484 10.9408 10.9408 10.9450 10.9450 11.7077 11.7077 11.7290 11.7290 k = 0.3455-0.0000 0.2407 ( 3246 PWs) bands (ev): -1.3687 -1.3687 -1.3683 -1.3683 1.2887 1.2887 1.2932 1.2932 5.3064 5.3064 5.3711 5.3711 6.2129 6.2129 6.3064 6.3064 7.5973 7.5973 7.6576 7.6576 7.9588 7.9588 8.0128 8.0128 8.7659 8.7659 8.7972 8.7972 9.2906 9.2906 9.3007 9.3007 10.1136 10.1136 10.1281 10.1281 10.9353 10.9353 10.9380 10.9380 11.6438 11.6438 11.6653 11.6653 k = 0.3545-0.0000 0.2407 ( 3262 PWs) bands (ev): -1.2844 -1.2844 -1.2839 -1.2839 1.3249 1.3249 1.3298 1.3298 5.2169 5.2169 5.2776 5.2776 6.2435 6.2435 6.3345 6.3345 7.5871 7.5871 7.6563 7.6563 7.9228 7.9228 7.9861 7.9861 8.7662 8.7662 8.7983 8.7983 9.2955 9.2955 9.3040 9.3040 10.0924 10.0924 10.1072 10.1072 10.9307 10.9307 10.9320 10.9320 11.5861 11.5861 11.6080 11.6080 k = 0.3636-0.0000 0.2407 ( 3264 PWs) bands (ev): -1.1999 -1.1999 -1.1994 -1.1994 1.3579 1.3579 1.3632 1.3632 5.1213 5.1213 5.1778 5.1778 6.2845 6.2845 6.3730 6.3730 7.5745 7.5745 7.6534 7.6534 7.8807 7.8807 7.9532 7.9532 8.7737 8.7737 8.8054 8.8054 9.3014 9.3014 9.3081 9.3081 10.0707 10.0707 10.0859 10.0859 10.9266 10.9266 10.9269 10.9269 11.5342 11.5342 11.5566 11.5566 k = 0.3727-0.0000 0.2407 ( 3266 PWs) bands (ev): -1.1155 -1.1155 -1.1150 -1.1150 1.3874 1.3874 1.3932 1.3932 5.0240 5.0240 5.0768 5.0768 6.3317 6.3317 6.4181 6.4181 7.5585 7.5585 7.6467 7.6467 7.8361 7.8361 7.9168 7.9168 8.7865 8.7865 8.8169 8.8169 9.3083 9.3083 9.3130 9.3130 10.0489 10.0489 10.0647 10.0647 10.9218 10.9218 10.9238 10.9238 11.4879 11.4879 11.5108 11.5108 k = 0.3818-0.0000 0.2407 ( 3266 PWs) bands (ev): -1.0317 -1.0317 -1.0311 -1.0311 1.4130 1.4130 1.4192 1.4192 4.9279 4.9279 4.9775 4.9775 6.3821 6.3821 6.4669 6.4669 7.5380 7.5380 7.6323 7.6323 7.7951 7.7951 7.8803 7.8803 8.8027 8.8027 8.8310 8.8310 9.3160 9.3160 9.3186 9.3186 10.0273 10.0273 10.0438 10.0438 10.9173 10.9173 10.9211 10.9211 11.4465 11.4465 11.4701 11.4701 k = 0.3909-0.0000 0.2407 ( 3274 PWs) bands (ev): -0.9489 -0.9489 -0.9483 -0.9483 1.4344 1.4344 1.4410 1.4410 4.8352 4.8352 4.8823 4.8823 6.4340 6.4340 6.5176 6.5176 7.5120 7.5120 7.6044 7.6044 7.7651 7.7651 7.8466 7.8466 8.8205 8.8205 8.8463 8.8463 9.3242 9.3242 9.3249 9.3249 10.0065 10.0065 10.0238 10.0238 10.9131 10.9131 10.9188 10.9188 11.4096 11.4096 11.4340 11.4340 k = 0.4000-0.0000 0.2407 ( 3282 PWs) bands (ev): -0.8676 -0.8676 -0.8669 -0.8669 1.4512 1.4512 1.4583 1.4583 4.7475 4.7475 4.7926 4.7926 6.4861 6.4861 6.5689 6.5689 7.4799 7.4799 7.5614 7.5614 7.7494 7.7494 7.8180 7.8180 8.8386 8.8386 8.8616 8.8616 9.3315 9.3315 9.3329 9.3329 9.9869 9.9869 10.0051 10.0051 10.9089 10.9089 10.9165 10.9165 11.3770 11.3770 11.4023 11.4023 k = 0.4091-0.0000 0.2407 ( 3286 PWs) bands (ev): -0.7884 -0.7884 -0.7877 -0.7877 1.4635 1.4635 1.4710 1.4710 4.6661 4.6661 4.7096 4.7096 6.5375 6.5375 6.6195 6.6195 7.4420 7.4420 7.5080 7.5080 7.7444 7.7444 7.7958 7.7958 8.8559 8.8559 8.8758 8.8758 9.3382 9.3382 9.3414 9.3414 9.9690 9.9690 9.9884 9.9884 10.9047 10.9047 10.9144 10.9144 11.3482 11.3482 11.3745 11.3745 k = 0.4182-0.0000 0.2407 ( 3282 PWs) bands (ev): -0.7120 -0.7120 -0.7113 -0.7113 1.4713 1.4713 1.4792 1.4792 4.5917 4.5917 4.6339 4.6339 6.5876 6.5876 6.6688 6.6688 7.3996 7.3996 7.4498 7.4498 7.7456 7.7456 7.7799 7.7799 8.8716 8.8716 8.8884 8.8884 9.3446 9.3446 9.3494 9.3494 9.9533 9.9533 9.9741 9.9741 10.9005 10.9005 10.9124 10.9124 11.3231 11.3231 11.3505 11.3505 k = 0.4273-0.0000 0.2407 ( 3278 PWs) bands (ev): -0.6394 -0.6394 -0.6386 -0.6386 1.4747 1.4747 1.4830 1.4830 4.5250 4.5250 4.5662 4.5662 6.6361 6.6361 6.7162 6.7162 7.3545 7.3545 7.3903 7.3903 7.7504 7.7504 7.7694 7.7694 8.8853 8.8853 8.8991 8.8991 9.3503 9.3503 9.3564 9.3564 9.9403 9.9403 9.9625 9.9625 10.8962 10.8962 10.9102 10.9102 11.3012 11.3012 11.3297 11.3297 k = 0.4364-0.0000 0.2407 ( 3274 PWs) bands (ev): -0.5712 -0.5712 -0.5704 -0.5704 1.4744 1.4744 1.4831 1.4831 4.4663 4.4663 4.5066 4.5066 6.6826 6.6826 6.7611 6.7611 7.3084 7.3084 7.3315 7.3315 7.7571 7.7571 7.7633 7.7633 8.8968 8.8968 8.9078 8.9078 9.3550 9.3550 9.3620 9.3620 9.9300 9.9300 9.9538 9.9538 10.8918 10.8918 10.9080 10.9080 11.2823 11.2823 11.3121 11.3121 k = 0.4455-0.0000 0.2407 ( 3274 PWs) bands (ev): -0.5087 -0.5087 -0.5079 -0.5079 1.4709 1.4709 1.4799 1.4799 4.4158 4.4158 4.4555 4.4555 6.7270 6.7270 6.8033 6.8033 7.2629 7.2629 7.2745 7.2745 7.7603 7.7603 7.7649 7.7649 8.9060 8.9060 8.9145 8.9145 9.3585 9.3585 9.3660 9.3660 9.9226 9.9226 9.9480 9.9480 10.8875 10.8875 10.9058 10.9058 11.2664 11.2664 11.2972 11.2972 k = 0.4545-0.0000 0.2407 ( 3274 PWs) bands (ev): -0.4530 -0.4530 -0.4520 -0.4520 1.4651 1.4651 1.4744 1.4744 4.3735 4.3735 4.4127 4.4127 6.7695 6.7695 6.8426 6.8426 7.2192 7.2192 7.2203 7.2203 7.7596 7.7596 7.7729 7.7729 8.9131 8.9131 8.9195 8.9195 9.3606 9.3606 9.3684 9.3684 9.9177 9.9177 9.9446 9.9446 10.8834 10.8834 10.9036 10.9036 11.2531 11.2531 11.2851 11.2851 k = 0.4636-0.0000 0.2407 ( 3270 PWs) bands (ev): -0.4051 -0.4051 -0.4041 -0.4041 1.4582 1.4582 1.4677 1.4677 4.3393 4.3393 4.3781 4.3781 6.8100 6.8100 6.8791 6.8791 7.1692 7.1692 7.1780 7.1780 7.7603 7.7603 7.7805 7.7805 8.9184 8.9184 8.9230 8.9230 9.3617 9.3617 9.3697 9.3697 9.9150 9.9150 9.9432 9.9432 10.8796 10.8796 10.9016 10.9016 11.2425 11.2425 11.2754 11.2754 k = 0.4727-0.0000 0.2407 ( 3268 PWs) bands (ev): -0.3663 -0.3663 -0.3653 -0.3653 1.4512 1.4512 1.4610 1.4610 4.3130 4.3130 4.3515 4.3515 6.8486 6.8486 6.9126 6.9126 7.1218 7.1218 7.1402 7.1402 7.7616 7.7616 7.7872 7.7872 8.9221 8.9221 8.9252 8.9252 9.3621 9.3621 9.3700 9.3700 9.9137 9.9137 9.9431 9.9431 10.8764 10.8764 10.8998 10.8998 11.2343 11.2343 11.2681 11.2681 k = 0.4818-0.0000 0.2407 ( 3272 PWs) bands (ev): -0.3377 -0.3377 -0.3366 -0.3366 1.4453 1.4453 1.4552 1.4552 4.2944 4.2944 4.3327 4.3327 6.8848 6.8848 6.9428 6.9428 7.0791 7.0791 7.1066 7.1066 7.7631 7.7631 7.7924 7.7924 8.9245 8.9245 8.9266 8.9266 9.3619 9.3619 9.3698 9.3698 9.9134 9.9134 9.9436 9.9436 10.8739 10.8739 10.8983 10.8983 11.2285 11.2285 11.2629 11.2629 k = 0.4909-0.0000 0.2407 ( 3272 PWs) bands (ev): -0.3202 -0.3202 -0.3190 -0.3190 1.4413 1.4413 1.4513 1.4513 4.2834 4.2834 4.3215 4.3215 6.9159 6.9159 6.9673 6.9673 7.0439 7.0439 7.0798 7.0798 7.7641 7.7641 7.7957 7.7957 8.9258 8.9258 8.9273 8.9273 9.3617 9.3617 9.3695 9.3695 9.9135 9.9135 9.9442 9.9442 10.8723 10.8723 10.8974 10.8974 11.2251 11.2251 11.2598 11.2598 k = 0.5000-0.0000 0.2407 ( 3276 PWs) bands (ev): -0.3142 -0.3142 -0.3131 -0.3131 1.4399 1.4399 1.4499 1.4499 4.2797 4.2797 4.3178 4.3178 6.9307 6.9307 6.9783 6.9783 7.0277 7.0277 7.0681 7.0681 7.7645 7.7645 7.7968 7.7968 8.9262 8.9262 8.9275 8.9275 9.3616 9.3616 9.3694 9.3694 9.9135 9.9135 9.9444 9.9444 10.8718 10.8718 10.8971 10.8971 11.2239 11.2239 11.2588 11.2588 k = 0.5000-0.0000 0.2407 ( 3276 PWs) bands (ev): -0.3142 -0.3142 -0.3131 -0.3131 1.4399 1.4399 1.4499 1.4499 4.2797 4.2797 4.3178 4.3178 6.9307 6.9307 6.9783 6.9783 7.0277 7.0277 7.0681 7.0681 7.7645 7.7645 7.7968 7.7968 8.9262 8.9262 8.9275 8.9275 9.3616 9.3616 9.3694 9.3694 9.9135 9.9135 9.9444 9.9444 10.8718 10.8718 10.8971 10.8971 11.2239 11.2239 11.2588 11.2588 k = 0.5000 0.0091 0.2407 ( 3272 PWs) bands (ev): -0.3141 -0.3141 -0.3129 -0.3129 1.4405 1.4405 1.4504 1.4504 4.2793 4.2793 4.3174 4.3174 6.9074 6.9074 6.9490 6.9490 7.0458 7.0458 7.0920 7.0920 7.7657 7.7657 7.7976 7.7976 8.9299 8.9299 8.9316 8.9316 9.3625 9.3625 9.3703 9.3703 9.9110 9.9110 9.9415 9.9415 10.8721 10.8721 10.8973 10.8973 11.2291 11.2291 11.2636 11.2636 k = 0.5000 0.0181 0.2407 ( 3276 PWs) bands (ev): -0.3137 -0.3137 -0.3126 -0.3126 1.4421 1.4421 1.4520 1.4520 4.2782 4.2782 4.3160 4.3160 6.8587 6.8587 6.8924 6.8924 7.0790 7.0790 7.1326 7.1326 7.7693 7.7693 7.8002 7.8002 8.9405 8.9405 8.9437 8.9437 9.3653 9.3653 9.3728 9.3728 9.9034 9.9034 9.9330 9.9330 10.8731 10.8731 10.8977 10.8977 11.2444 11.2444 11.2779 11.2779 k = 0.5000 0.0272 0.2407 ( 3276 PWs) bands (ev): -0.3131 -0.3131 -0.3119 -0.3119 1.4448 1.4448 1.4547 1.4547 4.2765 4.2765 4.3137 4.3137 6.7997 6.7997 6.8265 6.8265 7.1129 7.1129 7.1725 7.1725 7.7752 7.7752 7.8042 7.8042 8.9577 8.9577 8.9631 8.9631 9.3698 9.3698 9.3770 9.3770 9.8915 9.8915 9.9195 9.9195 10.8746 10.8746 10.8986 10.8986 11.2695 11.2695 11.3014 11.3014 k = 0.5000 0.0362 0.2407 ( 3280 PWs) bands (ev): -0.3122 -0.3122 -0.3111 -0.3111 1.4486 1.4486 1.4584 1.4584 4.2741 4.2741 4.3106 4.3106 6.7339 6.7339 6.7546 6.7546 7.1448 7.1448 7.2092 7.2092 7.7829 7.7829 7.8098 7.8098 8.9805 8.9805 8.9889 8.9889 9.3760 9.3760 9.3829 9.3829 9.8761 9.8761 9.9019 9.9019 10.8766 10.8766 10.8997 10.8997 11.3036 11.3036 11.3336 11.3336 k = 0.5000 0.0453 0.2407 ( 3272 PWs) bands (ev): -0.3111 -0.3111 -0.3100 -0.3100 1.4534 1.4534 1.4630 1.4630 4.2712 4.2712 4.3068 4.3068 6.6627 6.6627 6.6781 6.6781 7.1743 7.1743 7.2424 7.2424 7.7923 7.7923 7.8165 7.8165 9.0077 9.0077 9.0196 9.0196 9.3838 9.3838 9.3902 9.3902 9.8584 9.8584 9.8815 9.8815 10.8790 10.8790 10.9012 10.9012 11.3461 11.3461 11.3739 11.3739 k = 0.5000 0.0544 0.2407 ( 3280 PWs) bands (ev): -0.3097 -0.3097 -0.3087 -0.3087 1.4592 1.4592 1.4687 1.4687 4.2680 4.2680 4.3025 4.3025 6.5871 6.5871 6.5978 6.5978 7.2017 7.2017 7.2725 7.2725 7.8029 7.8029 7.8244 7.8244 9.0377 9.0377 9.0536 9.0536 9.3930 9.3930 9.3988 9.3988 9.8395 9.8395 9.8594 9.8594 10.8816 10.8816 10.9030 10.9030 11.3961 11.3961 11.4217 11.4217 k = 0.5000 0.0634 0.2407 ( 3272 PWs) bands (ev): -0.3082 -0.3082 -0.3071 -0.3071 1.4659 1.4659 1.4752 1.4752 4.2646 4.2646 4.2979 4.2979 6.5078 6.5078 6.5144 6.5144 7.2274 7.2274 7.3000 7.3000 7.8145 7.8145 7.8332 7.8332 9.0692 9.0692 9.0892 9.0892 9.4034 9.4034 9.4087 9.4087 9.8210 9.8210 9.8372 9.8372 10.8845 10.8845 10.9053 10.9053 11.4530 11.4530 11.4762 11.4762 k = 0.5000 0.0725 0.2407 ( 3268 PWs) bands (ev): -0.3064 -0.3064 -0.3054 -0.3054 1.4735 1.4735 1.4826 1.4826 4.2611 4.2611 4.2930 4.2930 6.4254 6.4254 6.4286 6.4286 7.2518 7.2518 7.3253 7.3253 7.8267 7.8267 7.8428 7.8428 9.1004 9.1004 9.1245 9.1245 9.4147 9.4147 9.4196 9.4196 9.8043 9.8043 9.8165 9.8165 10.8876 10.8876 10.9078 10.9078 11.5159 11.5159 11.5369 11.5369 k = 0.5000 0.0816 0.2407 ( 3268 PWs) bands (ev): -0.3045 -0.3045 -0.3035 -0.3035 1.4819 1.4819 1.4907 1.4907 4.2577 4.2577 4.2881 4.2881 6.3407 6.3407 6.3411 6.3411 7.2752 7.2752 7.3489 7.3489 7.8393 7.8393 7.8529 7.8529 9.1295 9.1295 9.1577 9.1577 9.4267 9.4267 9.4312 9.4312 9.7911 9.7911 9.7989 9.7989 10.8909 10.8909 10.9105 10.9105 11.5845 11.5845 11.6032 11.6032 k = 0.5000 0.0906 0.2407 ( 3268 PWs) bands (ev): -0.3024 -0.3024 -0.3014 -0.3014 1.4910 1.4910 1.4995 1.4995 4.2547 4.2547 4.2835 4.2835 6.2523 6.2523 6.2544 6.2544 7.2978 7.2978 7.3710 7.3710 7.8520 7.8520 7.8634 7.8634 9.1548 9.1548 9.1869 9.1869 9.4390 9.4390 9.4432 9.4432 9.7828 9.7828 9.7861 9.7861 10.8944 10.8944 10.9136 10.9136 11.6581 11.6581 11.6745 11.6745 k = 0.5000 0.0997 0.2407 ( 3268 PWs) bands (ev): -0.3001 -0.3001 -0.2992 -0.2992 1.5006 1.5006 1.5088 1.5088 4.2522 4.2522 4.2793 4.2793 6.1628 6.1628 6.1669 6.1669 7.3199 7.3199 7.3921 7.3921 7.8646 7.8646 7.8741 7.8741 9.1750 9.1750 9.2103 9.2103 9.4514 9.4514 9.4552 9.4552 9.7799 9.7799 9.7809 9.7809 10.8981 10.8981 10.9168 10.9168 11.7362 11.7362 11.7504 11.7504 k = 0.5000 0.1087 0.2407 ( 3260 PWs) bands (ev): -0.2977 -0.2977 -0.2969 -0.2969 1.5108 1.5108 1.5187 1.5187 4.2505 4.2505 4.2759 4.2759 6.0731 6.0731 6.0789 6.0789 7.3416 7.3416 7.4123 7.4123 7.8769 7.8769 7.8849 7.8849 9.1892 9.1892 9.2268 9.2268 9.4634 9.4634 9.4667 9.4667 9.7817 9.7817 9.7862 9.7862 10.9020 10.9020 10.9203 10.9203 11.8185 11.8185 11.8303 11.8303 k = 0.5000 0.1178 0.2407 ( 3260 PWs) bands (ev): -0.2953 -0.2953 -0.2945 -0.2945 1.5214 1.5214 1.5290 1.5290 4.2497 4.2497 4.2733 4.2733 5.9837 5.9837 5.9907 5.9907 7.3629 7.3629 7.4318 7.4318 7.8886 7.8886 7.8955 7.8955 9.1970 9.1970 9.2360 9.2360 9.4747 9.4747 9.4773 9.4773 9.7919 9.7919 9.7990 9.7990 10.9059 10.9059 10.9238 10.9238 11.9043 11.9043 11.9137 11.9137 k = 0.5000 0.1269 0.2407 ( 3260 PWs) bands (ev): -0.2928 -0.2928 -0.2920 -0.2920 1.5324 1.5324 1.5395 1.5395 4.2501 4.2501 4.2719 4.2719 5.8949 5.8949 5.9030 5.9030 7.3840 7.3840 7.4508 7.4508 7.8997 7.8997 7.9058 7.9058 9.1989 9.1989 9.2383 9.2383 9.4850 9.4850 9.4866 9.4866 9.8103 9.8103 9.8190 9.8190 10.9099 10.9099 10.9275 10.9275 11.9932 11.9932 12.0001 12.0001 k = 0.5000 0.1359 0.2407 ( 3260 PWs) bands (ev): -0.2902 -0.2902 -0.2895 -0.2895 1.5434 1.5434 1.5502 1.5502 4.2519 4.2519 4.2718 4.2718 5.8071 5.8071 5.8160 5.8160 7.4048 7.4048 7.4692 7.4692 7.9099 7.9099 7.9155 7.9155 9.1959 9.1959 9.2348 9.2348 9.4941 9.4941 9.4946 9.4946 9.8356 9.8356 9.8450 9.8450 10.9140 10.9140 10.9312 10.9312 12.0845 12.0845 12.0888 12.0888 k = 0.5000 0.1450 0.2407 ( 3248 PWs) bands (ev): -0.2876 -0.2876 -0.2869 -0.2869 1.5546 1.5546 1.5610 1.5610 4.2553 4.2553 4.2733 4.2733 5.7208 5.7208 5.7302 5.7302 7.4254 7.4254 7.4873 7.4873 7.9192 7.9192 7.9246 7.9246 9.1892 9.1892 9.2268 9.2268 9.5015 9.5015 9.5022 9.5022 9.8664 9.8664 9.8758 9.8758 10.9181 10.9181 10.9348 10.9348 12.1774 12.1774 12.1790 12.1790 k = 0.5000 0.1540 0.2407 ( 3260 PWs) bands (ev): -0.2850 -0.2850 -0.2844 -0.2844 1.5657 1.5657 1.5716 1.5716 4.2604 4.2604 4.2766 4.2766 5.6362 5.6362 5.6460 5.6460 7.4456 7.4456 7.5048 7.5048 7.9273 7.9273 7.9328 7.9328 9.1800 9.1800 9.2157 9.2157 9.5070 9.5070 9.5088 9.5088 9.9010 9.9010 9.9102 9.9102 10.9220 10.9220 10.9382 10.9382 12.2695 12.2695 12.2708 12.2708 k = 0.5000 0.1631 0.2407 ( 3264 PWs) bands (ev): -0.2825 -0.2825 -0.2820 -0.2820 1.5766 1.5766 1.5821 1.5821 4.2673 4.2673 4.2817 4.2817 5.5537 5.5537 5.5638 5.5638 7.4656 7.4656 7.5218 7.5218 7.9342 7.9342 7.9400 7.9400 9.1695 9.1695 9.2030 9.2030 9.5114 9.5114 9.5140 9.5140 9.9381 9.9381 9.9469 9.9469 10.9258 10.9258 10.9414 10.9414 12.3593 12.3593 12.3636 12.3636 k = 0.5000 0.1722 0.2407 ( 3272 PWs) bands (ev): -0.2801 -0.2801 -0.2796 -0.2796 1.5872 1.5872 1.5922 1.5922 4.2763 4.2763 4.2888 4.2888 5.4737 5.4737 5.4838 5.4838 7.4851 7.4851 7.5383 7.5383 7.9397 7.9397 7.9460 7.9460 9.1585 9.1585 9.1894 9.1894 9.5146 9.5146 9.5180 9.5180 9.9766 9.9766 9.9849 9.9849 10.9294 10.9294 10.9443 10.9443 12.4465 12.4465 12.4540 12.4540 k = 0.5000 0.1812 0.2407 ( 3272 PWs) bands (ev): -0.2777 -0.2777 -0.2773 -0.2773 1.5973 1.5973 1.6019 1.6019 4.2872 4.2872 4.2980 4.2980 5.3965 5.3965 5.4065 5.4065 7.5042 7.5042 7.5541 7.5541 7.9441 7.9441 7.9508 7.9508 9.1477 9.1477 9.1759 9.1759 9.5169 9.5169 9.5207 9.5207 10.0154 10.0154 10.0233 10.0233 10.9328 10.9328 10.9470 10.9470 12.5289 12.5289 12.5396 12.5396 k = 0.5000 0.1903 0.2407 ( 3272 PWs) bands (ev): -0.2755 -0.2755 -0.2751 -0.2751 1.6069 1.6069 1.6111 1.6111 4.3002 4.3002 4.3092 4.3092 5.3225 5.3225 5.3323 5.3323 7.5228 7.5228 7.5692 7.5692 7.9471 7.9471 7.9544 7.9544 9.1375 9.1375 9.1631 9.1631 9.5183 9.5183 9.5222 9.5222 10.0538 10.0538 10.0612 10.0612 10.9359 10.9359 10.9493 10.9493 12.6038 12.6038 12.6175 12.6175 k = 0.5000 0.1993 0.2407 ( 3268 PWs) bands (ev): -0.2734 -0.2734 -0.2731 -0.2731 1.6159 1.6159 1.6196 1.6196 4.3150 4.3150 4.3225 4.3225 5.2522 5.2522 5.2617 5.2617 7.5406 7.5406 7.5833 7.5833 7.9491 7.9491 7.9567 7.9567 9.1284 9.1284 9.1511 9.1511 9.5188 9.5188 9.5229 9.5229 10.0908 10.0908 10.0978 10.0978 10.9388 10.9388 10.9512 10.9512 12.6681 12.6681 12.6840 12.6840 k = 0.5000 0.2084 0.2407 ( 3264 PWs) bands (ev): -0.2715 -0.2715 -0.2712 -0.2712 1.6241 1.6241 1.6273 1.6273 4.3316 4.3316 4.3375 4.3375 5.1861 5.1861 5.1950 5.1950 7.5576 7.5576 7.5962 7.5962 7.9500 7.9500 7.9579 7.9579 9.1205 9.1205 9.1404 9.1404 9.5187 9.5187 9.5227 9.5227 10.1259 10.1259 10.1323 10.1323 10.9413 10.9413 10.9526 10.9526 12.7189 12.7189 12.7359 12.7359 k = 0.5000 0.2175 0.2407 ( 3272 PWs) bands (ev): -0.2699 -0.2699 -0.2696 -0.2696 1.6314 1.6314 1.6342 1.6342 4.3495 4.3495 4.3540 4.3540 5.1248 5.1248 5.1331 5.1331 7.5735 7.5735 7.6078 7.6078 7.9501 7.9501 7.9579 7.9579 9.1140 9.1140 9.1310 9.1310 9.5181 9.5181 9.5218 9.5218 10.1582 10.1582 10.1641 10.1641 10.9436 10.9436 10.9537 10.9537 12.7549 12.7549 12.7715 12.7715 k = 0.5000 0.2265 0.2407 ( 3276 PWs) bands (ev): -0.2684 -0.2684 -0.2682 -0.2682 1.6378 1.6378 1.6401 1.6401 4.3681 4.3681 4.3714 4.3714 5.0692 5.0692 5.0767 5.0767 7.5881 7.5881 7.6176 7.6176 7.9497 7.9497 7.9572 7.9572 9.1087 9.1087 9.1229 9.1229 9.5173 9.5173 9.5206 9.5206 10.1871 10.1871 10.1923 10.1923 10.9455 10.9455 10.9543 10.9543 12.7773 12.7773 12.7920 12.7920 k = 0.5000 0.2356 0.2407 ( 3280 PWs) bands (ev): -0.2672 -0.2672 -0.2670 -0.2670 1.6432 1.6432 1.6451 1.6451 4.3866 4.3866 4.3888 4.3888 5.0204 5.0204 5.0268 5.0268 7.6013 7.6013 7.6256 7.6256 7.9491 7.9491 7.9558 7.9558 9.1048 9.1048 9.1161 9.1161 9.5164 9.5164 9.5192 9.5192 10.2120 10.2120 10.2164 10.2164 10.9472 10.9472 10.9544 10.9544 12.7890 12.7890 12.8011 12.8011 k = 0.5000 0.2447 0.2407 ( 3272 PWs) bands (ev): -0.2662 -0.2662 -0.2661 -0.2661 1.6475 1.6475 1.6489 1.6489 4.4038 4.4038 4.4051 4.4051 4.9797 4.9797 4.9849 4.9849 7.6126 7.6126 7.6314 7.6314 7.9486 7.9486 7.9540 7.9540 9.1022 9.1022 9.1107 9.1107 9.5157 9.5157 9.5178 9.5178 10.2323 10.2323 10.2357 10.2357 10.9488 10.9488 10.9544 10.9544 12.7938 12.7938 12.8030 12.8030 k = 0.5000 0.2537 0.2407 ( 3280 PWs) bands (ev): -0.2655 -0.2655 -0.2654 -0.2654 1.6507 1.6507 1.6516 1.6516 4.4180 4.4180 4.4187 4.4187 4.9489 4.9489 4.9525 4.9525 7.6219 7.6219 7.6347 7.6347 7.9482 7.9482 7.9521 7.9521 9.1008 9.1008 9.1064 9.1064 9.5150 9.5150 9.5165 9.5165 10.2473 10.2473 10.2497 10.2497 10.9501 10.9501 10.9539 10.9539 12.7952 12.7952 12.8013 12.8013 k = 0.5000 0.2628 0.2407 ( 3280 PWs) bands (ev): -0.2650 -0.2650 -0.2650 -0.2650 1.6527 1.6527 1.6531 1.6531 4.4275 4.4275 4.4278 4.4278 4.9298 4.9298 4.9317 4.9317 7.6290 7.6290 7.6354 7.6354 7.9484 7.9484 7.9505 7.9505 9.1005 9.1005 9.1034 9.1034 9.5148 9.5148 9.5156 9.5156 10.2568 10.2568 10.2580 10.2580 10.9513 10.9513 10.9532 10.9532 12.7957 12.7957 12.7987 12.7987 k = 0.5000 0.2718 0.2407 ( 3280 PWs) bands (ev): -0.2649 -0.2649 -0.2649 -0.2649 1.6535 1.6535 1.6535 1.6535 4.4310 4.4310 4.4310 4.4310 4.9239 4.9239 4.9239 4.9239 7.6334 7.6334 7.6336 7.6336 7.9491 7.9491 7.9492 7.9492 9.1013 9.1013 9.1015 9.1015 9.5149 9.5149 9.5151 9.5151 10.2604 10.2604 10.2605 10.2605 10.9522 10.9522 10.9525 10.9525 12.7966 12.7966 12.7967 12.7967 k = 0.5000 0.2718 0.2407 ( 3280 PWs) bands (ev): -0.2649 -0.2649 -0.2649 -0.2649 1.6535 1.6535 1.6535 1.6535 4.4310 4.4310 4.4310 4.4310 4.9239 4.9239 4.9239 4.9239 7.6334 7.6334 7.6336 7.6336 7.9491 7.9491 7.9492 7.9492 9.1013 9.1013 9.1015 9.1015 9.5149 9.5149 9.5151 9.5151 10.2604 10.2604 10.2605 10.2605 10.9522 10.9522 10.9525 10.9525 12.7966 12.7966 12.7967 12.7967 k = 0.4909 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.2684 -0.2684 -0.2683 -0.2683 1.6477 1.6477 1.6478 1.6478 4.4362 4.4362 4.4362 4.4362 4.9310 4.9310 4.9311 4.9311 7.6344 7.6344 7.6346 7.6346 7.9474 7.9474 7.9475 7.9475 9.1010 9.1010 9.1011 9.1011 9.5145 9.5145 9.5147 9.5147 10.2591 10.2591 10.2592 10.2592 10.9515 10.9515 10.9518 10.9518 12.7917 12.7917 12.7919 12.7919 k = 0.4818 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.2788 -0.2788 -0.2787 -0.2787 1.6307 1.6307 1.6307 1.6307 4.4519 4.4519 4.4519 4.4519 4.9523 4.9523 4.9524 4.9524 7.6372 7.6372 7.6373 7.6373 7.9423 7.9423 7.9424 7.9424 9.0999 9.0999 9.1000 9.1000 9.5131 9.5131 9.5133 9.5133 10.2554 10.2554 10.2555 10.2555 10.9495 10.9495 10.9498 10.9498 12.7776 12.7776 12.7777 12.7777 k = 0.4727 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.2959 -0.2959 -0.2959 -0.2959 1.6027 1.6027 1.6027 1.6027 4.4778 4.4778 4.4778 4.4778 4.9872 4.9872 4.9872 4.9872 7.6418 7.6418 7.6420 7.6420 7.9338 7.9338 7.9340 7.9340 9.0980 9.0980 9.0981 9.0981 9.5108 9.5108 9.5111 9.5111 10.2494 10.2494 10.2495 10.2495 10.9460 10.9460 10.9463 10.9463 12.7557 12.7557 12.7558 12.7558 k = 0.4636 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.3196 -0.3196 -0.3195 -0.3195 1.5647 1.5647 1.5647 1.5647 4.5136 4.5136 4.5136 4.5136 5.0347 5.0347 5.0348 5.0348 7.6483 7.6483 7.6485 7.6485 7.9223 7.9223 7.9225 7.9225 9.0953 9.0953 9.0955 9.0955 9.5077 9.5077 9.5079 9.5079 10.2412 10.2412 10.2413 10.2413 10.9413 10.9413 10.9416 10.9416 12.7278 12.7278 12.7279 12.7279 k = 0.4545 0.2718 0.2407 ( 3272 PWs) bands (ev): -0.3494 -0.3494 -0.3493 -0.3493 1.5175 1.5175 1.5175 1.5175 4.5588 4.5588 4.5588 4.5588 5.0938 5.0938 5.0939 5.0939 7.6568 7.6568 7.6570 7.6570 7.9080 7.9080 7.9081 7.9081 9.0919 9.0919 9.0921 9.0921 9.5035 9.5035 9.5038 9.5038 10.2310 10.2310 10.2311 10.2311 10.9354 10.9354 10.9357 10.9357 12.6957 12.6957 12.6958 12.6958 k = 0.4455 0.2718 0.2407 ( 3268 PWs) bands (ev): -0.3849 -0.3849 -0.3848 -0.3848 1.4622 1.4622 1.4623 1.4623 4.6130 4.6130 4.6130 4.6130 5.1633 5.1633 5.1633 5.1633 7.6671 7.6671 7.6672 7.6672 7.8911 7.8911 7.8912 7.8912 9.0877 9.0877 9.0879 9.0879 9.4984 9.4984 9.4986 9.4986 10.2191 10.2191 10.2192 10.2192 10.9285 10.9285 10.9288 10.9288 12.6611 12.6611 12.6612 12.6612 k = 0.4364 0.2718 0.2407 ( 3264 PWs) bands (ev): -0.4256 -0.4256 -0.4256 -0.4256 1.4000 1.4000 1.4000 1.4000 4.6756 4.6756 4.6756 4.6756 5.2416 5.2416 5.2416 5.2416 7.6793 7.6793 7.6794 7.6794 7.8721 7.8721 7.8722 7.8722 9.0827 9.0827 9.0828 9.0828 9.4921 9.4921 9.4924 9.4924 10.2059 10.2059 10.2060 10.2060 10.9208 10.9208 10.9211 10.9211 12.6253 12.6253 12.6254 12.6254 k = 0.4273 0.2718 0.2407 ( 3280 PWs) bands (ev): -0.4711 -0.4711 -0.4711 -0.4711 1.3318 1.3318 1.3318 1.3318 4.7459 4.7459 4.7459 4.7459 5.3274 5.3274 5.3274 5.3274 7.6932 7.6932 7.6933 7.6933 7.8515 7.8515 7.8516 7.8516 9.0768 9.0768 9.0769 9.0769 9.4848 9.4848 9.4850 9.4850 10.1916 10.1916 10.1917 10.1917 10.9123 10.9123 10.9126 10.9126 12.5893 12.5893 12.5894 12.5894 k = 0.4182 0.2718 0.2407 ( 3272 PWs) bands (ev): -0.5208 -0.5208 -0.5208 -0.5208 1.2587 1.2587 1.2587 1.2587 4.8232 4.8232 4.8232 4.8232 5.4192 5.4192 5.4192 5.4192 7.7089 7.7089 7.7090 7.7090 7.8301 7.8301 7.8303 7.8303 9.0701 9.0701 9.0702 9.0702 9.4764 9.4764 9.4766 9.4766 10.1767 10.1767 10.1768 10.1768 10.9035 10.9035 10.9038 10.9038 12.5539 12.5539 12.5540 12.5540 k = 0.4091 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.5743 -0.5743 -0.5742 -0.5742 1.1816 1.1816 1.1816 1.1816 4.9068 4.9068 4.9068 4.9068 5.5154 5.5154 5.5155 5.5155 7.7259 7.7259 7.7261 7.7261 7.8090 7.8090 7.8091 7.8091 9.0626 9.0626 9.0627 9.0627 9.4668 9.4668 9.4670 9.4670 10.1615 10.1615 10.1616 10.1616 10.8945 10.8945 10.8947 10.8947 12.5196 12.5196 12.5197 12.5197 k = 0.4000 0.2718 0.2407 ( 3272 PWs) bands (ev): -0.6309 -0.6309 -0.6309 -0.6309 1.1013 1.1013 1.1014 1.1014 4.9959 4.9959 4.9959 4.9959 5.6146 5.6146 5.6147 5.6147 7.7426 7.7426 7.7428 7.7428 7.7905 7.7905 7.7907 7.7907 9.0544 9.0544 9.0545 9.0545 9.4560 9.4560 9.4563 9.4563 10.1464 10.1464 10.1466 10.1466 10.8856 10.8856 10.8859 10.8859 12.4868 12.4868 12.4869 12.4869 k = 0.3909 0.2718 0.2407 ( 3268 PWs) bands (ev): -0.6903 -0.6903 -0.6903 -0.6903 1.0187 1.0187 1.0187 1.0187 5.0898 5.0898 5.0898 5.0898 5.7151 5.7151 5.7151 5.7151 7.7494 7.7494 7.7495 7.7495 7.7854 7.7854 7.7855 7.7855 9.0456 9.0456 9.0457 9.0457 9.4441 9.4441 9.4444 9.4444 10.1318 10.1318 10.1319 10.1319 10.8771 10.8771 10.8774 10.8774 12.4557 12.4557 12.4558 12.4558 k = 0.3818 0.2718 0.2407 ( 3276 PWs) bands (ev): -0.7519 -0.7519 -0.7519 -0.7519 0.9343 0.9343 0.9343 0.9343 5.1876 5.1876 5.1876 5.1876 5.8150 5.8150 5.8151 5.8151 7.7389 7.7389 7.7390 7.7390 7.8019 7.8019 7.8020 7.8020 9.0364 9.0364 9.0365 9.0365 9.4310 9.4310 9.4312 9.4312 10.1179 10.1179 10.1180 10.1180 10.8694 10.8694 10.8697 10.8697 12.4266 12.4266 12.4267 12.4267 k = 0.3727 0.2718 0.2407 ( 3268 PWs) bands (ev): -0.8154 -0.8154 -0.8154 -0.8154 0.8487 0.8487 0.8487 0.8487 5.2886 5.2886 5.2886 5.2886 5.9127 5.9127 5.9127 5.9127 7.7263 7.7263 7.7264 7.7264 7.8262 7.8262 7.8264 7.8264 9.0270 9.0270 9.0271 9.0271 9.4167 9.4167 9.4169 9.4169 10.1051 10.1051 10.1052 10.1052 10.8630 10.8630 10.8633 10.8633 12.3996 12.3996 12.3997 12.3997 k = 0.3636 0.2718 0.2407 ( 3264 PWs) bands (ev): -0.8803 -0.8803 -0.8803 -0.8803 0.7624 0.7624 0.7624 0.7624 5.3920 5.3920 5.3920 5.3920 6.0060 6.0060 6.0060 6.0060 7.7176 7.7176 7.7177 7.7177 7.8537 7.8537 7.8538 7.8538 9.0178 9.0178 9.0179 9.0179 9.4013 9.4013 9.4015 9.4015 10.0936 10.0936 10.0937 10.0937 10.8582 10.8582 10.8585 10.8585 12.3747 12.3747 12.3748 12.3748 k = 0.3545 0.2718 0.2407 ( 3252 PWs) bands (ev): -0.9462 -0.9462 -0.9462 -0.9462 0.6758 0.6758 0.6759 0.6759 5.4969 5.4969 5.4969 5.4969 6.0927 6.0927 6.0928 6.0928 7.7152 7.7152 7.7154 7.7154 7.8835 7.8835 7.8836 7.8836 9.0092 9.0092 9.0093 9.0093 9.3849 9.3849 9.3851 9.3851 10.0836 10.0836 10.0837 10.0837 10.8555 10.8555 10.8557 10.8557 12.3520 12.3520 12.3521 12.3521 k = 0.3455 0.2718 0.2407 ( 3252 PWs) bands (ev): -1.0129 -1.0129 -1.0129 -1.0129 0.5893 0.5893 0.5894 0.5894 5.6025 5.6025 5.6026 5.6026 6.1708 6.1708 6.1708 6.1708 7.7209 7.7209 7.7211 7.7211 7.9151 7.9151 7.9152 7.9152 9.0017 9.0017 9.0017 9.0017 9.3673 9.3673 9.3676 9.3676 10.0752 10.0752 10.0754 10.0754 10.8552 10.8552 10.8555 10.8555 12.3315 12.3315 12.3316 12.3316 k = 0.3364 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.0800 -1.0800 -1.0800 -1.0800 0.5033 0.5033 0.5033 0.5033 5.7080 5.7080 5.7081 5.7081 6.2381 6.2381 6.2382 6.2382 7.7363 7.7363 7.7364 7.7364 7.9483 7.9483 7.9484 7.9484 8.9958 8.9958 8.9959 8.9959 9.3489 9.3489 9.3491 9.3491 10.0685 10.0685 10.0687 10.0687 10.8579 10.8579 10.8582 10.8582 12.3133 12.3133 12.3134 12.3134 k = 0.3273 0.2718 0.2407 ( 3260 PWs) bands (ev): -1.1472 -1.1472 -1.1472 -1.1472 0.4179 0.4179 0.4179 0.4179 5.8125 5.8125 5.8126 5.8126 6.2932 6.2932 6.2932 6.2932 7.7622 7.7622 7.7623 7.7623 7.9827 7.9827 7.9828 7.9828 8.9926 8.9926 8.9926 8.9926 9.3296 9.3296 9.3298 9.3298 10.0637 10.0637 10.0639 10.0639 10.8643 10.8643 10.8645 10.8645 12.2974 12.2974 12.2975 12.2975 k = 0.3182 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.2143 -1.2143 -1.2143 -1.2143 0.3334 0.3334 0.3335 0.3335 5.9152 5.9152 5.9153 5.9153 6.3349 6.3349 6.3350 6.3350 7.7990 7.7990 7.7992 7.7992 8.0179 8.0179 8.0180 8.0180 8.9926 8.9926 8.9927 8.9927 9.3097 9.3097 9.3099 9.3099 10.0607 10.0607 10.0609 10.0609 10.8748 10.8748 10.8750 10.8750 12.2839 12.2839 12.2840 12.2840 k = 0.3091 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.2811 -1.2811 -1.2810 -1.2810 0.2501 0.2501 0.2502 0.2502 6.0152 6.0152 6.0153 6.0153 6.3634 6.3634 6.3635 6.3635 7.8461 7.8461 7.8463 7.8463 8.0532 8.0532 8.0533 8.0533 8.9970 8.9970 8.9971 8.9971 9.2892 9.2892 9.2894 9.2894 10.0596 10.0596 10.0598 10.0598 10.8898 10.8898 10.8900 10.8900 12.2729 12.2729 12.2730 12.2730 k = 0.3000 0.2718 0.2407 ( 3260 PWs) bands (ev): -1.3473 -1.3473 -1.3472 -1.3472 0.1681 0.1681 0.1682 0.1682 6.1116 6.1116 6.1117 6.1117 6.3793 6.3793 6.3794 6.3794 7.9019 7.9019 7.9020 7.9020 8.0883 8.0883 8.0884 8.0884 9.0067 9.0067 9.0067 9.0067 9.2684 9.2684 9.2686 9.2686 10.0601 10.0601 10.0603 10.0603 10.9100 10.9100 10.9102 10.9102 12.2646 12.2646 12.2647 12.2647 k = 0.2909 0.2718 0.2407 ( 3268 PWs) bands (ev): -1.4127 -1.4127 -1.4127 -1.4127 0.0876 0.0876 0.0877 0.0877 6.2035 6.2035 6.2036 6.2036 6.3843 6.3843 6.3844 6.3844 7.9641 7.9641 7.9642 7.9642 8.1223 8.1223 8.1224 8.1224 9.0225 9.0225 9.0225 9.0225 9.2476 9.2476 9.2478 9.2478 10.0623 10.0623 10.0625 10.0625 10.9357 10.9357 10.9359 10.9359 12.2592 12.2592 12.2594 12.2594 k = 0.2818 0.2718 0.2407 ( 3260 PWs) bands (ev): -1.4772 -1.4772 -1.4772 -1.4772 0.0088 0.0088 0.0088 0.0088 6.2890 6.2890 6.2890 6.2890 6.3813 6.3813 6.3814 6.3814 8.0300 8.0300 8.0302 8.0302 8.1550 8.1550 8.1551 8.1551 9.0452 9.0452 9.0452 9.0452 9.2271 9.2271 9.2273 9.2273 10.0661 10.0661 10.0663 10.0663 10.9674 10.9674 10.9676 10.9676 12.2571 12.2571 12.2573 12.2573 k = 0.2727 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.5407 -1.5407 -1.5406 -1.5406 -0.0683 -0.0683 -0.0683 -0.0683 6.3478 6.3478 6.3478 6.3478 6.3916 6.3916 6.3916 6.3916 8.0965 8.0965 8.0966 8.0966 8.1865 8.1865 8.1866 8.1866 9.0749 9.0749 9.0750 9.0750 9.2075 9.2075 9.2077 9.2077 10.0713 10.0713 10.0715 10.0715 11.0051 11.0051 11.0053 11.0053 12.2587 12.2587 12.2589 12.2589 k = 0.2636 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.6029 -1.6029 -1.6029 -1.6029 -0.1436 -0.1436 -0.1435 -0.1435 6.3391 6.3391 6.3391 6.3391 6.4572 6.4572 6.4573 6.4573 8.1587 8.1587 8.1588 8.1588 8.2189 8.2189 8.2189 8.2189 9.1105 9.1105 9.1105 9.1105 9.1901 9.1901 9.1903 9.1903 10.0776 10.0776 10.0779 10.0779 11.0490 11.0490 11.0492 11.0492 12.2646 12.2646 12.2647 12.2647 k = 0.2545 0.2718 0.2407 ( 3252 PWs) bands (ev): -1.6638 -1.6638 -1.6638 -1.6638 -0.2169 -0.2169 -0.2168 -0.2168 6.3158 6.3158 6.3159 6.3159 6.5263 6.5263 6.5263 6.5263 8.2077 8.2077 8.2077 8.2077 8.2590 8.2590 8.2591 8.2591 9.1421 9.1421 9.1422 9.1422 9.1849 9.1849 9.1850 9.1850 10.0851 10.0851 10.0853 10.0853 11.0985 11.0985 11.0987 11.0987 12.2756 12.2756 12.2757 12.2757 k = 0.2455 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.7233 -1.7233 -1.7232 -1.7232 -0.2881 -0.2881 -0.2881 -0.2881 6.2877 6.2877 6.2877 6.2877 6.5901 6.5901 6.5901 6.5901 8.2395 8.2395 8.2396 8.2396 8.3094 8.3094 8.3095 8.3095 9.1409 9.1409 9.1410 9.1410 9.2198 9.2198 9.2198 9.2198 10.0932 10.0932 10.0934 10.0934 11.1531 11.1531 11.1533 11.1533 12.2926 12.2926 12.2928 12.2928 k = 0.2364 0.2718 0.2407 ( 3260 PWs) bands (ev): -1.7812 -1.7812 -1.7812 -1.7812 -0.3572 -0.3572 -0.3572 -0.3572 6.2564 6.2564 6.2565 6.2565 6.6477 6.6477 6.6478 6.6478 8.2630 8.2630 8.2631 8.2631 8.3603 8.3603 8.3605 8.3605 9.1279 9.1279 9.1281 9.1281 9.2728 9.2728 9.2728 9.2728 10.1018 10.1018 10.1020 10.1020 11.2116 11.2116 11.2118 11.2118 12.3171 12.3171 12.3172 12.3172 k = 0.2273 0.2718 0.2407 ( 3260 PWs) bands (ev): -1.8375 -1.8375 -1.8375 -1.8375 -0.4242 -0.4242 -0.4241 -0.4241 6.2230 6.2230 6.2231 6.2231 6.6992 6.6992 6.6992 6.6992 8.2833 8.2833 8.2834 8.2834 8.4062 8.4062 8.4064 8.4064 9.1150 9.1150 9.1152 9.1152 9.3308 9.3308 9.3308 9.3308 10.1105 10.1105 10.1107 10.1107 11.2722 11.2722 11.2724 11.2724 12.3504 12.3504 12.3505 12.3505 k = 0.2182 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.8921 -1.8921 -1.8920 -1.8920 -0.4888 -0.4888 -0.4887 -0.4887 6.1882 6.1882 6.1883 6.1883 6.7444 6.7444 6.7445 6.7445 8.3026 8.3026 8.3027 8.3027 8.4453 8.4453 8.4455 8.4455 9.1039 9.1039 9.1041 9.1041 9.3906 9.3906 9.3906 9.3906 10.1189 10.1189 10.1190 10.1190 11.3332 11.3332 11.3333 11.3333 12.3942 12.3942 12.3943 12.3943 k = 0.2091 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.9448 -1.9448 -1.9448 -1.9448 -0.5511 -0.5511 -0.5511 -0.5511 6.1526 6.1526 6.1527 6.1527 6.7837 6.7837 6.7837 6.7837 8.3218 8.3218 8.3220 8.3220 8.4767 8.4767 8.4769 8.4769 9.0949 9.0949 9.0951 9.0951 9.4500 9.4500 9.4500 9.4500 10.1265 10.1265 10.1267 10.1267 11.3921 11.3921 11.3922 11.3922 12.4501 12.4501 12.4502 12.4502 k = 0.2000 0.2718 0.2407 ( 3256 PWs) bands (ev): -1.9957 -1.9957 -1.9957 -1.9957 -0.6111 -0.6111 -0.6110 -0.6110 6.1166 6.1166 6.1167 6.1167 6.8172 6.8172 6.8173 6.8173 8.3418 8.3418 8.3419 8.3419 8.5004 8.5004 8.5006 8.5006 9.0883 9.0883 9.0885 9.0885 9.5071 9.5071 9.5072 9.5072 10.1330 10.1330 10.1332 10.1332 11.4469 11.4469 11.4471 11.4471 12.5194 12.5194 12.5194 12.5194 k = 0.1909 0.2718 0.2407 ( 3256 PWs) bands (ev): -2.0447 -2.0447 -2.0447 -2.0447 -0.6686 -0.6686 -0.6686 -0.6686 6.0807 6.0807 6.0808 6.0808 6.8453 6.8453 6.8454 6.8454 8.3630 8.3630 8.3631 8.3631 8.5170 8.5170 8.5172 8.5172 9.0839 9.0839 9.0841 9.0841 9.5606 9.5606 9.5606 9.5606 10.1379 10.1379 10.1381 10.1381 11.4961 11.4961 11.4963 11.4963 12.6023 12.6023 12.6024 12.6024 k = 0.1818 0.2718 0.2407 ( 3256 PWs) bands (ev): -2.0917 -2.0917 -2.0917 -2.0917 -0.7237 -0.7237 -0.7237 -0.7237 6.0451 6.0451 6.0452 6.0452 6.8685 6.8685 6.8686 6.8686 8.3857 8.3857 8.3859 8.3859 8.5273 8.5273 8.5275 8.5275 9.0815 9.0815 9.0817 9.0817 9.6090 9.6090 9.6090 9.6090 10.1409 10.1409 10.1410 10.1410 11.5388 11.5388 11.5389 11.5389 12.6981 12.6981 12.6982 12.6982 k = 0.1727 0.2718 0.2407 ( 3260 PWs) bands (ev): -2.1367 -2.1367 -2.1366 -2.1366 -0.7763 -0.7763 -0.7763 -0.7763 6.0102 6.0102 6.0102 6.0102 6.8872 6.8872 6.8873 6.8873 8.4102 8.4102 8.4103 8.4103 8.5321 8.5321 8.5323 8.5323 9.0805 9.0805 9.0807 9.0807 9.6513 9.6513 9.6514 9.6514 10.1417 10.1417 10.1418 10.1418 11.5746 11.5746 11.5748 11.5748 12.8032 12.8032 12.8033 12.8033 k = 0.1636 0.2718 0.2407 ( 3268 PWs) bands (ev): -2.1796 -2.1796 -2.1795 -2.1795 -0.8264 -0.8264 -0.8263 -0.8263 5.9761 5.9761 5.9761 5.9761 6.9018 6.9018 6.9019 6.9019 8.4362 8.4362 8.4364 8.4364 8.5328 8.5328 8.5330 8.5330 9.0806 9.0806 9.0808 9.0808 9.6868 9.6868 9.6869 9.6869 10.1405 10.1405 10.1407 10.1407 11.6041 11.6041 11.6043 11.6043 12.9124 12.9124 12.9125 12.9125 k = 0.1545 0.2718 0.2407 ( 3268 PWs) bands (ev): -2.2203 -2.2203 -2.2203 -2.2203 -0.8739 -0.8739 -0.8739 -0.8739 5.9430 5.9430 5.9431 5.9431 6.9129 6.9129 6.9129 6.9129 8.4631 8.4631 8.4633 8.4633 8.5312 8.5312 8.5314 8.5314 9.0813 9.0813 9.0816 9.0816 9.7148 9.7148 9.7148 9.7148 10.1379 10.1379 10.1380 10.1380 11.6281 11.6281 11.6283 11.6283 13.0249 13.0249 13.0249 13.0249 k = 0.1455 0.2718 0.2407 ( 3260 PWs) bands (ev): -2.2589 -2.2589 -2.2589 -2.2589 -0.9188 -0.9188 -0.9188 -0.9188 5.9112 5.9112 5.9113 5.9113 6.9208 6.9208 6.9209 6.9209 8.4872 8.4872 8.4874 8.4874 8.5317 8.5317 8.5319 8.5319 9.0825 9.0825 9.0827 9.0827 9.7347 9.7347 9.7347 9.7347 10.1344 10.1344 10.1345 10.1345 11.6473 11.6473 11.6475 11.6475 13.1453 13.1453 13.1454 13.1454 k = 0.1364 0.2718 0.2407 ( 3264 PWs) bands (ev): -2.2954 -2.2954 -2.2953 -2.2953 -0.9611 -0.9611 -0.9611 -0.9611 5.8807 5.8807 5.8808 5.8808 6.9261 6.9261 6.9262 6.9262 8.4969 8.4969 8.4971 8.4971 8.5468 8.5468 8.5469 8.5469 9.0837 9.0837 9.0839 9.0839 9.7460 9.7460 9.7460 9.7460 10.1308 10.1308 10.1310 10.1310 11.6627 11.6627 11.6629 11.6629 13.2759 13.2759 13.2760 13.2760 k = 0.1273 0.2718 0.2407 ( 3260 PWs) bands (ev): -2.3296 -2.3296 -2.3295 -2.3295 -1.0008 -1.0008 -1.0008 -1.0008 5.8518 5.8518 5.8518 5.8518 6.9292 6.9292 6.9293 6.9293 8.4925 8.4925 8.4927 8.4927 8.5766 8.5766 8.5768 8.5768 9.0849 9.0849 9.0851 9.0851 9.7484 9.7484 9.7485 9.7485 10.1282 10.1282 10.1284 10.1284 11.6749 11.6749 11.6751 11.6751 13.4165 13.4165 13.4166 13.4166 k = 0.1182 0.2718 0.2407 ( 3260 PWs) bands (ev): -2.3615 -2.3615 -2.3615 -2.3615 -1.0378 -1.0378 -1.0378 -1.0378 5.8244 5.8244 5.8245 5.8245 6.9305 6.9305 6.9305 6.9305 8.4834 8.4834 8.4836 8.4836 8.6121 8.6121 8.6123 8.6123 9.0858 9.0858 9.0860 9.0860 9.7420 9.7420 9.7421 9.7421 10.1271 10.1271 10.1273 10.1273 11.6845 11.6845 11.6847 11.6847 13.5658 13.5658 13.5658 13.5658 k = 0.1091 0.2718 0.2407 ( 3248 PWs) bands (ev): -2.3912 -2.3912 -2.3912 -2.3912 -1.0722 -1.0722 -1.0721 -1.0721 5.7987 5.7987 5.7988 5.7988 6.9303 6.9303 6.9304 6.9304 8.4730 8.4730 8.4732 8.4732 8.6504 8.6504 8.6506 8.6506 9.0866 9.0866 9.0868 9.0868 9.7274 9.7274 9.7275 9.7275 10.1280 10.1280 10.1281 10.1281 11.6922 11.6922 11.6924 11.6924 13.7218 13.7218 13.7218 13.7218 k = 0.1000 0.2718 0.2407 ( 3244 PWs) bands (ev): -2.4186 -2.4186 -2.4185 -2.4185 -1.1039 -1.1039 -1.1038 -1.1038 5.7749 5.7749 5.7749 5.7749 6.9290 6.9290 6.9291 6.9291 8.4620 8.4620 8.4623 8.4623 8.6908 8.6908 8.6910 8.6910 9.0871 9.0871 9.0873 9.0873 9.7053 9.7053 9.7053 9.7053 10.1304 10.1304 10.1307 10.1307 11.6983 11.6983 11.6985 11.6985 13.8822 13.8822 13.8823 13.8823 k = 0.0909 0.2718 0.2407 ( 3244 PWs) bands (ev): -2.4436 -2.4436 -2.4436 -2.4436 -1.1328 -1.1328 -1.1327 -1.1327 5.7528 5.7528 5.7529 5.7529 6.9270 6.9270 6.9270 6.9270 8.4512 8.4512 8.4514 8.4514 8.7328 8.7328 8.7330 8.7330 9.0874 9.0874 9.0876 9.0876 9.6767 9.6767 9.6768 9.6768 10.1343 10.1343 10.1345 10.1345 11.7031 11.7031 11.7032 11.7032 14.0437 14.0437 14.0437 14.0437 k = 0.0818 0.2718 0.2407 ( 3236 PWs) bands (ev): -2.4663 -2.4663 -2.4663 -2.4663 -1.1590 -1.1590 -1.1590 -1.1590 5.7327 5.7327 5.7328 5.7328 6.9244 6.9244 6.9244 6.9244 8.4407 8.4407 8.4409 8.4409 8.7763 8.7763 8.7765 8.7765 9.0875 9.0875 9.0877 9.0877 9.6430 9.6430 9.6431 9.6431 10.1390 10.1390 10.1393 10.1393 11.7068 11.7068 11.7070 11.7070 14.2005 14.2005 14.2005 14.2005 k = 0.0727 0.2718 0.2407 ( 3244 PWs) bands (ev): -2.4867 -2.4867 -2.4867 -2.4867 -1.1825 -1.1825 -1.1825 -1.1825 5.7146 5.7146 5.7147 5.7147 6.9214 6.9214 6.9215 6.9215 8.4309 8.4309 8.4311 8.4311 8.8209 8.8209 8.8210 8.8210 9.0875 9.0875 9.0877 9.0877 9.6050 9.6050 9.6051 9.6051 10.1441 10.1441 10.1443 10.1443 11.7098 11.7098 11.7100 11.7100 14.3417 14.3417 14.3418 14.3418 k = 0.0636 0.2718 0.2407 ( 3244 PWs) bands (ev): -2.5047 -2.5047 -2.5047 -2.5047 -1.2033 -1.2033 -1.2032 -1.2032 5.6985 5.6985 5.6986 5.6986 6.9184 6.9184 6.9185 6.9185 8.4218 8.4218 8.4221 8.4221 8.8664 8.8664 8.8666 8.8666 9.0877 9.0877 9.0879 9.0879 9.5637 9.5637 9.5638 9.5638 10.1492 10.1492 10.1495 10.1495 11.7121 11.7121 11.7123 11.7123 14.4534 14.4534 14.4535 14.4535 k = 0.0545 0.2718 0.2407 ( 3248 PWs) bands (ev): -2.5203 -2.5203 -2.5203 -2.5203 -1.2213 -1.2213 -1.2213 -1.2213 5.6845 5.6845 5.6845 5.6845 6.9155 6.9155 6.9155 6.9155 8.4138 8.4138 8.4140 8.4140 8.9125 8.9125 8.9126 8.9126 9.0881 9.0881 9.0883 9.0883 9.5199 9.5199 9.5200 9.5200 10.1541 10.1541 10.1544 10.1544 11.7138 11.7138 11.7140 11.7140 14.5308 14.5308 14.5309 14.5309 k = 0.0455 0.2718 0.2407 ( 3248 PWs) bands (ev): -2.5336 -2.5336 -2.5335 -2.5335 -1.2366 -1.2366 -1.2365 -1.2365 5.6725 5.6725 5.6726 5.6726 6.9127 6.9127 6.9128 6.9128 8.4068 8.4068 8.4070 8.4070 8.9586 8.9586 8.9587 8.9587 9.0892 9.0892 9.0894 9.0894 9.4742 9.4742 9.4743 9.4743 10.1586 10.1586 10.1588 10.1588 11.7152 11.7152 11.7154 11.7154 14.5796 14.5796 14.5797 14.5797 k = 0.0364 0.2718 0.2407 ( 3244 PWs) bands (ev): -2.5444 -2.5444 -2.5444 -2.5444 -1.2491 -1.2491 -1.2490 -1.2490 5.6627 5.6627 5.6628 5.6628 6.9104 6.9104 6.9104 6.9104 8.4009 8.4009 8.4011 8.4011 9.0033 9.0033 9.0034 9.0034 9.0921 9.0921 9.0923 9.0923 9.4274 9.4274 9.4275 9.4275 10.1624 10.1624 10.1626 10.1626 11.7162 11.7162 11.7164 11.7164 14.6087 14.6087 14.6088 14.6088 k = 0.0273 0.2718 0.2407 ( 3240 PWs) bands (ev): -2.5529 -2.5529 -2.5528 -2.5528 -1.2588 -1.2588 -1.2587 -1.2587 5.6551 5.6551 5.6552 5.6552 6.9084 6.9084 6.9084 6.9084 8.3963 8.3963 8.3966 8.3966 9.0419 9.0419 9.0420 9.0420 9.1011 9.1011 9.1012 9.1012 9.3801 9.3801 9.3802 9.3802 10.1655 10.1655 10.1658 10.1658 11.7170 11.7170 11.7172 11.7172 14.6257 14.6257 14.6258 14.6258 k = 0.0182 0.2718 0.2407 ( 3232 PWs) bands (ev): -2.5589 -2.5589 -2.5589 -2.5589 -1.2657 -1.2657 -1.2657 -1.2657 5.6496 5.6496 5.6497 5.6497 6.9070 6.9070 6.9070 6.9070 8.3930 8.3930 8.3932 8.3932 9.0637 9.0637 9.0639 9.0639 9.1259 9.1259 9.1261 9.1261 9.3336 9.3336 9.3336 9.3336 10.1678 10.1678 10.1681 10.1681 11.7175 11.7175 11.7176 11.7176 14.6355 14.6355 14.6356 14.6356 k = 0.0091 0.2718 0.2407 ( 3232 PWs) bands (ev): -2.5625 -2.5625 -2.5625 -2.5625 -1.2699 -1.2699 -1.2698 -1.2698 5.6463 5.6463 5.6464 5.6464 6.9061 6.9061 6.9061 6.9061 8.3910 8.3910 8.3912 8.3912 9.0706 9.0706 9.0708 9.0708 9.1614 9.1614 9.1615 9.1615 9.2912 9.2912 9.2912 9.2912 10.1692 10.1692 10.1694 10.1694 11.7178 11.7178 11.7179 11.7179 14.6405 14.6405 14.6406 14.6406 k = 0.0000 0.2718 0.2407 ( 3232 PWs) bands (ev): -2.5637 -2.5637 -2.5637 -2.5637 -1.2713 -1.2713 -1.2712 -1.2712 5.6452 5.6452 5.6453 5.6453 6.9058 6.9058 6.9058 6.9058 8.3903 8.3903 8.3905 8.3905 9.0721 9.0721 9.0722 9.0722 9.1822 9.1822 9.1825 9.1825 9.2688 9.2688 9.2688 9.2688 10.1697 10.1697 10.1699 10.1699 11.7179 11.7179 11.7180 11.7180 14.6420 14.6420 14.6421 14.6421 k = 0.0000 0.2718 0.2407 ( 3232 PWs) bands (ev): -2.5637 -2.5637 -2.5637 -2.5637 -1.2713 -1.2713 -1.2712 -1.2712 5.6452 5.6452 5.6453 5.6453 6.9058 6.9058 6.9058 6.9058 8.3903 8.3903 8.3905 8.3905 9.0721 9.0721 9.0722 9.0722 9.1822 9.1822 9.1825 9.1825 9.2688 9.2688 9.2688 9.2688 10.1697 10.1697 10.1699 10.1699 11.7179 11.7179 11.7180 11.7180 14.6420 14.6420 14.6421 14.6421 k = 0.0000 0.2628 0.2407 ( 3228 PWs) bands (ev): -2.5667 -2.5667 -2.5667 -2.5667 -1.2667 -1.2667 -1.2666 -1.2666 5.6411 5.6411 5.6412 5.6412 6.9089 6.9089 6.9089 6.9089 8.3847 8.3847 8.3849 8.3849 9.0672 9.0672 9.0674 9.0674 9.1811 9.1811 9.1813 9.1813 9.2769 9.2769 9.2770 9.2770 10.1695 10.1695 10.1698 10.1698 11.7209 11.7209 11.7211 11.7211 14.6443 14.6443 14.6444 14.6444 k = 0.0000 0.2537 0.2407 ( 3230 PWs) bands (ev): -2.5755 -2.5755 -2.5754 -2.5754 -1.2530 -1.2530 -1.2530 -1.2530 5.6288 5.6288 5.6289 5.6289 6.9181 6.9181 6.9181 6.9181 8.3679 8.3679 8.3681 8.3681 9.0545 9.0545 9.0547 9.0547 9.1793 9.1793 9.1795 9.1795 9.2978 9.2978 9.2978 9.2978 10.1689 10.1689 10.1692 10.1692 11.7300 11.7300 11.7302 11.7302 14.6509 14.6509 14.6510 14.6510 k = 0.0000 0.2447 0.2407 ( 3224 PWs) bands (ev): -2.5896 -2.5896 -2.5896 -2.5896 -1.2308 -1.2308 -1.2307 -1.2307 5.6088 5.6088 5.6089 5.6089 6.9328 6.9328 6.9328 6.9328 8.3405 8.3405 8.3406 8.3406 9.0380 9.0380 9.0382 9.0382 9.1786 9.1786 9.1788 9.1788 9.3256 9.3256 9.3256 9.3256 10.1680 10.1680 10.1683 10.1683 11.7447 11.7447 11.7449 11.7449 14.6610 14.6610 14.6611 14.6611 k = 0.0000 0.2356 0.2407 ( 3228 PWs) bands (ev): -2.6086 -2.6086 -2.6086 -2.6086 -1.2006 -1.2006 -1.2006 -1.2006 5.5817 5.5817 5.5818 5.5818 6.9522 6.9522 6.9522 6.9522 8.3033 8.3033 8.3034 8.3034 9.0210 9.0210 9.0211 9.0211 9.1793 9.1793 9.1795 9.1795 9.3566 9.3566 9.3566 9.3566 10.1667 10.1667 10.1670 10.1670 11.7646 11.7646 11.7648 11.7648 14.6730 14.6730 14.6730 14.6730 k = 0.0000 0.2265 0.2407 ( 3228 PWs) bands (ev): -2.6316 -2.6316 -2.6315 -2.6315 -1.1633 -1.1633 -1.1632 -1.1632 5.5482 5.5482 5.5483 5.5483 6.9752 6.9752 6.9752 6.9752 8.2577 8.2577 8.2578 8.2578 9.0056 9.0056 9.0057 9.0057 9.1812 9.1812 9.1814 9.1814 9.3887 9.3887 9.3888 9.3888 10.1651 10.1651 10.1654 10.1654 11.7890 11.7890 11.7892 11.7892 14.6840 14.6840 14.6841 14.6841 k = 0.0000 0.2175 0.2407 ( 3230 PWs) bands (ev): -2.6578 -2.6578 -2.6578 -2.6578 -1.1197 -1.1197 -1.1196 -1.1196 5.5091 5.5091 5.5092 5.5092 7.0006 7.0006 7.0007 7.0007 8.2054 8.2054 8.2055 8.2055 8.9926 8.9926 8.9927 8.9927 9.1840 9.1840 9.1842 9.1842 9.4212 9.4212 9.4212 9.4212 10.1632 10.1632 10.1634 10.1634 11.8172 11.8172 11.8173 11.8173 14.6885 14.6885 14.6886 14.6886 k = 0.0000 0.2084 0.2407 ( 3226 PWs) bands (ev): -2.6866 -2.6866 -2.6865 -2.6865 -1.0706 -1.0706 -1.0706 -1.0706 5.4652 5.4652 5.4653 5.4653 7.0271 7.0271 7.0271 7.0271 8.1485 8.1485 8.1486 8.1486 8.9822 8.9822 8.9823 8.9823 9.1877 9.1877 9.1879 9.1879 9.4534 9.4534 9.4535 9.4535 10.1609 10.1609 10.1612 10.1612 11.8483 11.8483 11.8485 11.8485 14.6768 14.6768 14.6769 14.6769 k = 0.0000 0.1993 0.2407 ( 3230 PWs) bands (ev): -2.7171 -2.7171 -2.7171 -2.7171 -1.0169 -1.0169 -1.0169 -1.0169 5.4171 5.4171 5.4172 5.4172 7.0532 7.0532 7.0532 7.0532 8.0890 8.0890 8.0891 8.0891 8.9743 8.9743 8.9744 8.9744 9.1919 9.1919 9.1921 9.1921 9.4853 9.4853 9.4853 9.4853 10.1584 10.1584 10.1586 10.1586 11.8818 11.8818 11.8819 11.8819 14.6430 14.6430 14.6431 14.6431 k = 0.0000 0.1903 0.2407 ( 3230 PWs) bands (ev): -2.7488 -2.7488 -2.7488 -2.7488 -0.9594 -0.9594 -0.9594 -0.9594 5.3656 5.3656 5.3656 5.3656 7.0772 7.0772 7.0773 7.0773 8.0294 8.0294 8.0295 8.0295 8.9687 8.9687 8.9688 8.9688 9.1968 9.1968 9.1970 9.1970 9.5167 9.5167 9.5168 9.5168 10.1555 10.1555 10.1558 10.1558 11.9169 11.9169 11.9171 11.9171 14.5951 14.5951 14.5951 14.5951 k = 0.0000 0.1812 0.2407 ( 3228 PWs) bands (ev): -2.7812 -2.7812 -2.7812 -2.7812 -0.8988 -0.8988 -0.8987 -0.8987 5.3110 5.3110 5.3111 5.3111 7.0975 7.0975 7.0975 7.0975 7.9722 7.9722 7.9723 7.9723 8.9649 8.9649 8.9650 8.9650 9.2021 9.2021 9.2024 9.2024 9.5480 9.5480 9.5481 9.5481 10.1524 10.1524 10.1527 10.1527 11.9532 11.9532 11.9534 11.9534 14.5419 14.5419 14.5419 14.5419 k = 0.0000 0.1722 0.2407 ( 3232 PWs) bands (ev): -2.8137 -2.8137 -2.8137 -2.8137 -0.8357 -0.8357 -0.8356 -0.8356 5.2541 5.2541 5.2541 5.2541 7.1121 7.1121 7.1121 7.1121 7.9199 7.9199 7.9200 7.9200 8.9626 8.9626 8.9627 8.9627 9.2079 9.2079 9.2082 9.2082 9.5792 9.5792 9.5793 9.5793 10.1490 10.1490 10.1493 10.1493 11.9902 11.9902 11.9904 11.9904 14.4876 14.4876 14.4877 14.4877 k = 0.0000 0.1631 0.2407 ( 3228 PWs) bands (ev): -2.8460 -2.8460 -2.8460 -2.8460 -0.7707 -0.7707 -0.7706 -0.7706 5.1952 5.1952 5.1952 5.1952 7.1192 7.1192 7.1192 7.1192 7.8750 7.8750 7.8750 7.8750 8.9617 8.9617 8.9618 8.9618 9.2141 9.2141 9.2143 9.2143 9.6104 9.6104 9.6105 9.6105 10.1455 10.1455 10.1457 10.1457 12.0277 12.0277 12.0278 12.0278 14.4338 14.4338 14.4338 14.4338 k = 0.0000 0.1540 0.2407 ( 3232 PWs) bands (ev): -2.8777 -2.8777 -2.8777 -2.8777 -0.7044 -0.7044 -0.7043 -0.7043 5.1347 5.1347 5.1347 5.1347 7.1172 7.1172 7.1172 7.1172 7.8394 7.8394 7.8394 7.8394 8.9617 8.9617 8.9618 8.9618 9.2205 9.2205 9.2207 9.2207 9.6419 9.6419 9.6420 9.6420 10.1417 10.1417 10.1420 10.1420 12.0654 12.0654 12.0655 12.0655 14.3811 14.3811 14.3811 14.3811 k = 0.0000 0.1450 0.2407 ( 3230 PWs) bands (ev): -2.9086 -2.9086 -2.9086 -2.9086 -0.6373 -0.6373 -0.6373 -0.6373 5.0732 5.0732 5.0732 5.0732 7.1053 7.1053 7.1054 7.1054 7.8143 7.8143 7.8143 7.8143 8.9624 8.9624 8.9626 8.9626 9.2272 9.2272 9.2275 9.2275 9.6736 9.6736 9.6737 9.6737 10.1378 10.1378 10.1381 10.1381 12.1033 12.1033 12.1034 12.1034 14.3297 14.3297 14.3298 14.3298 k = 0.0000 0.1359 0.2407 ( 3234 PWs) bands (ev): -2.9384 -2.9384 -2.9384 -2.9384 -0.5701 -0.5701 -0.5701 -0.5701 5.0110 5.0110 5.0110 5.0110 7.0840 7.0840 7.0841 7.0841 7.7998 7.7998 7.7998 7.7998 8.9638 8.9638 8.9640 8.9640 9.2340 9.2340 9.2343 9.2343 9.7056 9.7056 9.7057 9.7057 10.1339 10.1339 10.1341 10.1341 12.1415 12.1415 12.1416 12.1416 14.2797 14.2797 14.2797 14.2797 k = 0.0000 0.1269 0.2407 ( 3236 PWs) bands (ev): -2.9670 -2.9670 -2.9670 -2.9670 -0.5032 -0.5032 -0.5032 -0.5032 4.9486 4.9486 4.9486 4.9486 7.0548 7.0548 7.0549 7.0549 7.7947 7.7947 7.7947 7.7947 8.9656 8.9656 8.9658 8.9658 9.2410 9.2410 9.2412 9.2412 9.7379 9.7379 9.7380 9.7380 10.1299 10.1299 10.1301 10.1301 12.1799 12.1799 12.1801 12.1801 14.2305 14.2305 14.2305 14.2305 k = 0.0000 0.1178 0.2407 ( 3228 PWs) bands (ev): -2.9941 -2.9941 -2.9941 -2.9941 -0.4372 -0.4372 -0.4371 -0.4371 4.8865 4.8865 4.8865 4.8865 7.0198 7.0198 7.0198 7.0198 7.7970 7.7970 7.7971 7.7971 8.9678 8.9678 8.9680 8.9680 9.2480 9.2480 9.2482 9.2482 9.7703 9.7703 9.7705 9.7705 10.1259 10.1259 10.1262 10.1262 12.2190 12.2190 12.2191 12.2191 14.1811 14.1811 14.1811 14.1811 k = 0.0000 0.1087 0.2407 ( 3234 PWs) bands (ev): -3.0196 -3.0196 -3.0196 -3.0196 -0.3726 -0.3726 -0.3726 -0.3726 4.8253 4.8253 4.8253 4.8253 6.9812 6.9812 6.9812 6.9812 7.8048 7.8048 7.8048 7.8048 8.9701 8.9701 8.9703 8.9703 9.2548 9.2548 9.2551 9.2551 9.8027 9.8027 9.8028 9.8028 10.1220 10.1220 10.1223 10.1223 12.2587 12.2587 12.2588 12.2588 14.1293 14.1293 14.1293 14.1293 k = 0.0000 0.0997 0.2407 ( 3232 PWs) bands (ev): -3.0435 -3.0435 -3.0434 -3.0434 -0.3100 -0.3100 -0.3100 -0.3100 4.7654 4.7654 4.7654 4.7654 6.9411 6.9411 6.9411 6.9411 7.8161 7.8161 7.8161 7.8161 8.9725 8.9725 8.9727 8.9727 9.2616 9.2616 9.2619 9.2619 9.8348 9.8348 9.8350 9.8350 10.1183 10.1183 10.1186 10.1186 12.2993 12.2993 12.2994 12.2994 14.0708 14.0708 14.0708 14.0708 k = 0.0000 0.0906 0.2407 ( 3232 PWs) bands (ev): -3.0655 -3.0655 -3.0655 -3.0655 -0.2500 -0.2500 -0.2500 -0.2500 4.7075 4.7075 4.7076 4.7076 6.9012 6.9012 6.9012 6.9012 7.8294 7.8294 7.8294 7.8294 8.9749 8.9749 8.9751 8.9751 9.2681 9.2681 9.2684 9.2684 9.8663 9.8663 9.8664 9.8664 10.1148 10.1148 10.1151 10.1151 12.3412 12.3412 12.3412 12.3412 14.0004 14.0004 14.0005 14.0005 k = 0.0000 0.0816 0.2407 ( 3234 PWs) bands (ev): -3.0857 -3.0857 -3.0856 -3.0856 -0.1932 -0.1932 -0.1932 -0.1932 4.6523 4.6523 4.6523 4.6523 6.8627 6.8627 6.8628 6.8628 7.8435 7.8435 7.8436 7.8436 8.9773 8.9773 8.9775 8.9775 9.2743 9.2743 9.2746 9.2746 9.8966 9.8966 9.8967 9.8967 10.1117 10.1117 10.1119 10.1119 12.3844 12.3844 12.3845 12.3845 13.9172 13.9172 13.9173 13.9173 k = 0.0000 0.0725 0.2407 ( 3234 PWs) bands (ev): -3.1039 -3.1039 -3.1038 -3.1038 -0.1402 -0.1402 -0.1402 -0.1402 4.6003 4.6003 4.6004 4.6004 6.8267 6.8267 6.8268 6.8268 7.8576 7.8576 7.8577 7.8577 8.9795 8.9795 8.9797 8.9797 9.2801 9.2801 9.2804 9.2804 9.9253 9.9253 9.9255 9.9255 10.1090 10.1090 10.1092 10.1092 12.4293 12.4293 12.4293 12.4293 13.8256 13.8256 13.8256 13.8256 k = 0.0000 0.0634 0.2407 ( 3234 PWs) bands (ev): -3.1201 -3.1201 -3.1200 -3.1200 -0.0915 -0.0915 -0.0915 -0.0915 4.5524 4.5524 4.5524 4.5524 6.7939 6.7939 6.7939 6.7939 7.8710 7.8710 7.8711 7.8711 8.9816 8.9816 8.9819 8.9819 9.2854 9.2854 9.2857 9.2857 9.9519 9.9519 9.9521 9.9521 10.1068 10.1068 10.1071 10.1071 12.4758 12.4758 12.4759 12.4759 13.7306 13.7306 13.7306 13.7306 k = 0.0000 0.0544 0.2407 ( 3238 PWs) bands (ev): -3.1342 -3.1342 -3.1341 -3.1341 -0.0479 -0.0479 -0.0479 -0.0479 4.5091 4.5091 4.5091 4.5091 6.7647 6.7647 6.7647 6.7647 7.8833 7.8833 7.8834 7.8834 8.9835 8.9835 8.9837 8.9837 9.2902 9.2902 9.2905 9.2905 9.9757 9.9757 9.9759 9.9759 10.1054 10.1054 10.1057 10.1057 12.5238 12.5238 12.5239 12.5239 13.6359 13.6359 13.6359 13.6359 k = 0.0000 0.0453 0.2407 ( 3234 PWs) bands (ev): -3.1462 -3.1462 -3.1462 -3.1462 -0.0098 -0.0098 -0.0098 -0.0098 4.4711 4.4711 4.4712 4.4712 6.7395 6.7395 6.7396 6.7396 7.8941 7.8941 7.8941 7.8941 8.9852 8.9852 8.9854 8.9854 9.2944 9.2944 9.2947 9.2947 9.9961 9.9961 9.9963 9.9963 10.1049 10.1049 10.1052 10.1052 12.5729 12.5729 12.5730 12.5730 13.5445 13.5445 13.5445 13.5445 k = 0.0000 0.0362 0.2407 ( 3226 PWs) bands (ev): -3.1561 -3.1561 -3.1560 -3.1560 0.0222 0.0222 0.0223 0.0223 4.4391 4.4391 4.4392 4.4392 6.7186 6.7186 6.7187 6.7187 7.9031 7.9031 7.9032 7.9032 8.9865 8.9865 8.9868 8.9868 9.2980 9.2980 9.2983 9.2983 10.0127 10.0127 10.0129 10.0129 10.1054 10.1054 10.1056 10.1056 12.6220 12.6220 12.6221 12.6221 13.4589 13.4589 13.4589 13.4589 k = 0.0000 0.0272 0.2407 ( 3228 PWs) bands (ev): -3.1638 -3.1638 -3.1637 -3.1637 0.0477 0.0477 0.0477 0.0477 4.4136 4.4136 4.4136 4.4136 6.7022 6.7022 6.7023 6.7023 7.9103 7.9103 7.9104 7.9104 8.9876 8.9876 8.9878 8.9878 9.3007 9.3007 9.3010 9.3010 10.0251 10.0251 10.0253 10.0253 10.1067 10.1067 10.1070 10.1070 12.6690 12.6690 12.6691 12.6691 13.3823 13.3823 13.3823 13.3823 k = 0.0000 0.0181 0.2407 ( 3224 PWs) bands (ev): -3.1693 -3.1693 -3.1693 -3.1693 0.0661 0.0661 0.0662 0.0662 4.3950 4.3950 4.3951 4.3951 6.6904 6.6904 6.6905 6.6905 7.9155 7.9155 7.9157 7.9157 8.9884 8.9884 8.9886 8.9886 9.3028 9.3028 9.3030 9.3030 10.0334 10.0334 10.0336 10.0336 10.1084 10.1084 10.1087 10.1087 12.7104 12.7104 12.7105 12.7105 13.3193 13.3193 13.3193 13.3193 k = 0.0000 0.0091 0.2407 ( 3224 PWs) bands (ev): -3.1726 -3.1726 -3.1726 -3.1726 0.0773 0.0773 0.0774 0.0774 4.3837 4.3837 4.3838 4.3838 6.6833 6.6833 6.6834 6.6834 7.9187 7.9187 7.9188 7.9188 8.9889 8.9889 8.9891 8.9891 9.3040 9.3040 9.3042 9.3042 10.0381 10.0381 10.0383 10.0383 10.1099 10.1099 10.1101 10.1101 12.7401 12.7401 12.7402 12.7402 13.2763 13.2763 13.2764 13.2764 k = 0.0000 0.0000 0.2407 ( 3224 PWs) bands (ev): -3.1737 -3.1737 -3.1737 -3.1737 0.0811 0.0811 0.0811 0.0811 4.3799 4.3799 4.3800 4.3800 6.6810 6.6810 6.6811 6.6811 7.9198 7.9198 7.9199 7.9199 8.9891 8.9891 8.9893 8.9893 9.3044 9.3044 9.3046 9.3046 10.0396 10.0396 10.0398 10.0398 10.1104 10.1104 10.1107 10.1107 12.7512 12.7512 12.7513 12.7513 13.2608 13.2608 13.2609 13.2609 k = 0.0000 0.2718-0.0000 ( 3262 PWs) bands (ev): -2.9364 -2.9364 -2.9364 -2.9364 -0.4244 -0.4244 -0.4244 -0.4244 3.9875 3.9875 3.9875 3.9875 7.7063 7.7063 7.7063 7.7063 8.0538 8.0538 8.0540 8.0540 9.1488 9.1488 9.1490 9.1490 9.2630 9.2630 9.2633 9.2633 9.7156 9.7156 9.7158 9.7158 10.1228 10.1228 10.1231 10.1231 13.5038 13.5038 13.5039 13.5039 13.9492 13.9492 13.9494 13.9494 k = 0.0000 0.2718 0.0089 ( 3262 PWs) bands (ev): -2.9355 -2.9355 -2.9355 -2.9355 -0.4273 -0.4273 -0.4273 -0.4273 3.9920 3.9920 3.9921 3.9921 7.7033 7.7033 7.7034 7.7034 8.0570 8.0570 8.0572 8.0572 9.1486 9.1486 9.1489 9.1489 9.2628 9.2628 9.2630 9.2630 9.7130 9.7130 9.7132 9.7132 10.1230 10.1230 10.1232 10.1232 13.4838 13.4838 13.4838 13.4838 13.9684 13.9684 13.9685 13.9685 k = 0.0000 0.2718 0.0178 ( 3254 PWs) bands (ev): -2.9327 -2.9327 -2.9327 -2.9327 -0.4359 -0.4359 -0.4358 -0.4358 4.0056 4.0056 4.0056 4.0056 7.6949 7.6949 7.6949 7.6949 8.0664 8.0664 8.0666 8.0666 9.1482 9.1482 9.1485 9.1485 9.2620 9.2620 9.2622 9.2622 9.7054 9.7054 9.7055 9.7055 10.1235 10.1235 10.1238 10.1238 13.4315 13.4315 13.4316 13.4316 14.0177 14.0177 14.0178 14.0178 k = 0.0000 0.2718 0.0267 ( 3250 PWs) bands (ev): -2.9281 -2.9281 -2.9281 -2.9281 -0.4500 -0.4500 -0.4500 -0.4500 4.0280 4.0280 4.0280 4.0280 7.6816 7.6816 7.6816 7.6816 8.0812 8.0812 8.0814 8.0814 9.1475 9.1475 9.1478 9.1478 9.2606 9.2606 9.2609 9.2609 9.6927 9.6927 9.6928 9.6928 10.1243 10.1243 10.1246 10.1246 13.3606 13.3606 13.3606 13.3606 14.0833 14.0833 14.0834 14.0834 k = 0.0000 0.2718 0.0357 ( 3254 PWs) bands (ev): -2.9217 -2.9217 -2.9217 -2.9217 -0.4695 -0.4695 -0.4694 -0.4694 4.0590 4.0590 4.0591 4.0591 7.6643 7.6643 7.6644 7.6644 8.1003 8.1003 8.1005 8.1005 9.1465 9.1465 9.1467 9.1467 9.2587 9.2587 9.2589 9.2589 9.6753 9.6753 9.6755 9.6755 10.1254 10.1254 10.1257 10.1257 13.2798 13.2798 13.2798 13.2798 14.1558 14.1558 14.1559 14.1559 k = 0.0000 0.2718 0.0446 ( 3258 PWs) bands (ev): -2.9136 -2.9136 -2.9136 -2.9136 -0.4939 -0.4939 -0.4939 -0.4939 4.0983 4.0983 4.0983 4.0983 7.6440 7.6440 7.6441 7.6441 8.1227 8.1227 8.1229 8.1229 9.1452 9.1452 9.1454 9.1454 9.2561 9.2561 9.2563 9.2563 9.6537 9.6537 9.6538 9.6538 10.1268 10.1268 10.1271 10.1271 13.1937 13.1937 13.1937 13.1937 14.2298 14.2298 14.2298 14.2298 k = 0.0000 0.2718 0.0535 ( 3260 PWs) bands (ev): -2.9037 -2.9037 -2.9037 -2.9037 -0.5229 -0.5229 -0.5229 -0.5229 4.1454 4.1454 4.1454 4.1454 7.6213 7.6213 7.6213 7.6213 8.1477 8.1477 8.1478 8.1478 9.1435 9.1435 9.1437 9.1437 9.2528 9.2528 9.2530 9.2530 9.6283 9.6283 9.6284 9.6284 10.1285 10.1285 10.1288 10.1288 13.1047 13.1047 13.1048 13.1048 14.3018 14.3018 14.3018 14.3018 k = 0.0000 0.2718 0.0624 ( 3254 PWs) bands (ev): -2.8921 -2.8921 -2.8921 -2.8921 -0.5561 -0.5561 -0.5561 -0.5561 4.1997 4.1997 4.1998 4.1998 7.5966 7.5966 7.5966 7.5966 8.1743 8.1743 8.1745 8.1745 9.1414 9.1414 9.1416 9.1416 9.2487 9.2487 9.2489 9.2489 9.5998 9.5998 9.6000 9.6000 10.1305 10.1305 10.1308 10.1308 13.0141 13.0141 13.0142 13.0142 14.3693 14.3693 14.3694 14.3694 k = 0.0000 0.2718 0.0713 ( 3250 PWs) bands (ev): -2.8789 -2.8789 -2.8789 -2.8789 -0.5930 -0.5930 -0.5930 -0.5930 4.2609 4.2609 4.2609 4.2609 7.5702 7.5702 7.5702 7.5702 8.2022 8.2022 8.2023 8.2023 9.1388 9.1388 9.1390 9.1390 9.2438 9.2438 9.2440 9.2440 9.5691 9.5691 9.5693 9.5693 10.1327 10.1327 10.1330 10.1330 12.9227 12.9227 12.9228 12.9228 14.4306 14.4306 14.4306 14.4306 k = 0.0000 0.2718 0.0802 ( 3250 PWs) bands (ev): -2.8642 -2.8642 -2.8642 -2.8642 -0.6331 -0.6331 -0.6330 -0.6330 4.3283 4.3283 4.3283 4.3283 7.5422 7.5422 7.5422 7.5422 8.2306 8.2306 8.2307 8.2307 9.1356 9.1356 9.1358 9.1358 9.2378 9.2378 9.2380 9.2380 9.5370 9.5370 9.5371 9.5371 10.1350 10.1350 10.1353 10.1353 12.8311 12.8311 12.8312 12.8312 14.4841 14.4841 14.4841 14.4841 k = 0.0000 0.2718 0.0892 ( 3256 PWs) bands (ev): -2.8480 -2.8480 -2.8480 -2.8480 -0.6758 -0.6758 -0.6757 -0.6757 4.4012 4.4012 4.4012 4.4012 7.5128 7.5128 7.5128 7.5128 8.2590 8.2590 8.2591 8.2591 9.1317 9.1317 9.1318 9.1318 9.2308 9.2308 9.2310 9.2310 9.5045 9.5045 9.5046 9.5046 10.1375 10.1375 10.1377 10.1377 12.7396 12.7396 12.7398 12.7398 14.5295 14.5295 14.5295 14.5295 k = 0.0000 0.2718 0.0981 ( 3248 PWs) bands (ev): -2.8305 -2.8305 -2.8305 -2.8305 -0.7205 -0.7205 -0.7205 -0.7205 4.4790 4.4790 4.4791 4.4791 7.4819 7.4819 7.4819 7.4819 8.2869 8.2869 8.2870 8.2870 9.1267 9.1267 9.1269 9.1269 9.2227 9.2227 9.2229 9.2229 9.4728 9.4728 9.4730 9.4730 10.1401 10.1401 10.1404 10.1404 12.6488 12.6488 12.6489 12.6489 14.5672 14.5672 14.5672 14.5672 k = 0.0000 0.2718 0.1070 ( 3252 PWs) bands (ev): -2.8118 -2.8118 -2.8118 -2.8118 -0.7669 -0.7669 -0.7668 -0.7668 4.5611 4.5611 4.5612 4.5612 7.4494 7.4494 7.4495 7.4495 8.3137 8.3137 8.3138 8.3138 9.1205 9.1205 9.1206 9.1206 9.2138 9.2138 9.2140 9.2140 9.4430 9.4430 9.4432 9.4432 10.1428 10.1428 10.1430 10.1430 12.5589 12.5589 12.5591 12.5591 14.5982 14.5982 14.5983 14.5983 k = 0.0000 0.2718 0.1159 ( 3256 PWs) bands (ev): -2.7921 -2.7921 -2.7921 -2.7921 -0.8142 -0.8142 -0.8142 -0.8142 4.6468 4.6468 4.6468 4.6468 7.4153 7.4153 7.4153 7.4153 8.3388 8.3388 8.3389 8.3389 9.1126 9.1126 9.1127 9.1127 9.2045 9.2045 9.2047 9.2047 9.4161 9.4161 9.4162 9.4162 10.1454 10.1454 10.1457 10.1457 12.4705 12.4705 12.4707 12.4707 14.6236 14.6236 14.6236 14.6236 k = 0.0000 0.2718 0.1248 ( 3258 PWs) bands (ev): -2.7715 -2.7715 -2.7715 -2.7715 -0.8620 -0.8620 -0.8620 -0.8620 4.7354 4.7354 4.7354 4.7354 7.3793 7.3793 7.3794 7.3794 8.3615 8.3615 8.3617 8.3617 9.1031 9.1031 9.1032 9.1032 9.1955 9.1955 9.1957 9.1957 9.3925 9.3925 9.3926 9.3926 10.1481 10.1481 10.1484 10.1484 12.3840 12.3840 12.3842 12.3842 14.6437 14.6437 14.6437 14.6437 k = 0.0000 0.2718 0.1337 ( 3258 PWs) bands (ev): -2.7502 -2.7502 -2.7501 -2.7501 -0.9098 -0.9098 -0.9097 -0.9097 4.8260 4.8260 4.8261 4.8261 7.3415 7.3415 7.3415 7.3415 8.3812 8.3812 8.3814 8.3814 9.0922 9.0922 9.0923 9.0923 9.1876 9.1876 9.1878 9.1878 9.3724 9.3724 9.3725 9.3725 10.1508 10.1508 10.1511 10.1511 12.3000 12.3000 12.3001 12.3001 14.6586 14.6586 14.6587 14.6587 k = 0.0000 0.2718 0.1427 ( 3258 PWs) bands (ev): -2.7284 -2.7284 -2.7284 -2.7284 -0.9569 -0.9569 -0.9568 -0.9568 4.9180 4.9180 4.9180 4.9180 7.3017 7.3017 7.3017 7.3017 8.3972 8.3972 8.3974 8.3974 9.0809 9.0809 9.0809 9.0809 9.1810 9.1810 9.1813 9.1813 9.3555 9.3555 9.3556 9.3556 10.1534 10.1534 10.1537 10.1537 12.2190 12.2190 12.2191 12.2191 14.6684 14.6684 14.6685 14.6685 k = 0.0000 0.2718 0.1516 ( 3250 PWs) bands (ev): -2.7065 -2.7065 -2.7065 -2.7065 -1.0028 -1.0028 -1.0028 -1.0028 5.0104 5.0104 5.0105 5.0105 7.2600 7.2600 7.2600 7.2600 8.4091 8.4091 8.4092 8.4092 9.0705 9.0705 9.0705 9.0705 9.1761 9.1761 9.1763 9.1763 9.3413 9.3413 9.3414 9.3414 10.1559 10.1559 10.1562 10.1562 12.1416 12.1416 12.1418 12.1418 14.6734 14.6734 14.6735 14.6735 k = 0.0000 0.2718 0.1605 ( 3250 PWs) bands (ev): -2.6848 -2.6848 -2.6848 -2.6848 -1.0470 -1.0470 -1.0470 -1.0470 5.1023 5.1023 5.1023 5.1023 7.2165 7.2165 7.2165 7.2165 8.4165 8.4165 8.4167 8.4167 9.0622 9.0622 9.0623 9.0623 9.1726 9.1726 9.1728 9.1728 9.3292 9.3292 9.3293 9.3293 10.1583 10.1583 10.1585 10.1585 12.0686 12.0686 12.0687 12.0687 14.6744 14.6744 14.6745 14.6745 k = 0.0000 0.2718 0.1694 ( 3254 PWs) bands (ev): -2.6636 -2.6636 -2.6636 -2.6636 -1.0889 -1.0889 -1.0889 -1.0889 5.1925 5.1925 5.1926 5.1926 7.1715 7.1715 7.1716 7.1716 8.4197 8.4197 8.4199 8.4199 9.0569 9.0569 9.0570 9.0570 9.1705 9.1705 9.1707 9.1707 9.3186 9.3186 9.3187 9.3187 10.1604 10.1604 10.1607 10.1607 12.0006 12.0006 12.0007 12.0007 14.6723 14.6723 14.6724 14.6724 k = 0.0000 0.2718 0.1783 ( 3242 PWs) bands (ev): -2.6433 -2.6433 -2.6433 -2.6433 -1.1279 -1.1279 -1.1278 -1.1278 5.2799 5.2799 5.2799 5.2799 7.1258 7.1258 7.1258 7.1258 8.4192 8.4192 8.4193 8.4193 9.0548 9.0548 9.0549 9.0549 9.1695 9.1695 9.1698 9.1698 9.3091 9.3091 9.3092 9.3092 10.1625 10.1625 10.1628 10.1628 11.9383 11.9383 11.9385 11.9385 14.6683 14.6683 14.6684 14.6684 k = 0.0000 0.2718 0.1872 ( 3242 PWs) bands (ev): -2.6243 -2.6243 -2.6243 -2.6243 -1.1634 -1.1634 -1.1633 -1.1633 5.3628 5.3628 5.3628 5.3628 7.0801 7.0801 7.0801 7.0801 8.4158 8.4158 8.4159 8.4159 9.0556 9.0556 9.0557 9.0557 9.1698 9.1698 9.1700 9.1700 9.3005 9.3005 9.3006 9.3006 10.1643 10.1643 10.1646 10.1646 11.8825 11.8825 11.8827 11.8827 14.6632 14.6632 14.6632 14.6632 k = 0.0000 0.2718 0.1962 ( 3238 PWs) bands (ev): -2.6072 -2.6072 -2.6072 -2.6072 -1.1947 -1.1947 -1.1947 -1.1947 5.4394 5.4394 5.4394 5.4394 7.0357 7.0357 7.0358 7.0358 8.4106 8.4106 8.4108 8.4108 9.0583 9.0583 9.0584 9.0584 9.1711 9.1711 9.1713 9.1713 9.2926 9.2926 9.2927 9.2927 10.1659 10.1659 10.1662 10.1662 11.8338 11.8338 11.8340 11.8340 14.6577 14.6577 14.6578 14.6578 k = 0.0000 0.2718 0.2051 ( 3238 PWs) bands (ev): -2.5923 -2.5923 -2.5923 -2.5923 -1.2214 -1.2214 -1.2213 -1.2213 5.5075 5.5075 5.5076 5.5076 6.9945 6.9945 6.9945 6.9945 8.4047 8.4047 8.4049 8.4049 9.0621 9.0621 9.0623 9.0623 9.1733 9.1733 9.1735 9.1735 9.2853 9.2853 9.2854 9.2854 10.1672 10.1672 10.1675 10.1675 11.7930 11.7930 11.7932 11.7932 14.6526 14.6526 14.6527 14.6527 k = 0.0000 0.2718 0.2140 ( 3234 PWs) bands (ev): -2.5802 -2.5802 -2.5801 -2.5801 -1.2428 -1.2428 -1.2427 -1.2427 5.5648 5.5648 5.5648 5.5648 6.9585 6.9585 6.9585 6.9585 8.3990 8.3990 8.3992 8.3992 9.0661 9.0661 9.0662 9.0662 9.1762 9.1762 9.1764 9.1764 9.2789 9.2789 9.2789 9.2789 10.1682 10.1682 10.1685 10.1685 11.7605 11.7605 11.7607 11.7607 14.6482 14.6482 14.6483 14.6483 k = 0.0000 0.2718 0.2229 ( 3238 PWs) bands (ev): -2.5711 -2.5711 -2.5711 -2.5711 -1.2585 -1.2585 -1.2584 -1.2584 5.6084 5.6084 5.6084 5.6084 6.9302 6.9302 6.9303 6.9303 8.3944 8.3944 8.3946 8.3946 9.0693 9.0693 9.0694 9.0694 9.1791 9.1791 9.1794 9.1794 9.2736 9.2736 9.2736 9.2736 10.1690 10.1690 10.1692 10.1692 11.7369 11.7369 11.7371 11.7371 14.6449 14.6449 14.6449 14.6449 k = 0.0000 0.2718 0.2318 ( 3234 PWs) bands (ev): -2.5656 -2.5656 -2.5656 -2.5656 -1.2681 -1.2681 -1.2680 -1.2680 5.6359 5.6359 5.6359 5.6359 6.9121 6.9121 6.9121 6.9121 8.3914 8.3914 8.3916 8.3916 9.0714 9.0714 9.0715 9.0715 9.1814 9.1814 9.1816 9.1816 9.2700 9.2700 9.2701 9.2701 10.1695 10.1695 10.1697 10.1697 11.7226 11.7226 11.7228 11.7228 14.6428 14.6428 14.6428 14.6428 k = 0.0000 0.2718 0.2407 ( 3232 PWs) bands (ev): -2.5637 -2.5637 -2.5637 -2.5637 -1.2713 -1.2713 -1.2712 -1.2712 5.6452 5.6452 5.6453 5.6453 6.9058 6.9058 6.9058 6.9058 8.3903 8.3903 8.3905 8.3905 9.0721 9.0721 9.0722 9.0722 9.1822 9.1822 9.1825 9.1825 9.2688 9.2688 9.2688 9.2688 10.1697 10.1697 10.1699 10.1699 11.7179 11.7179 11.7180 11.7180 14.6420 14.6420 14.6421 14.6421 k = 0.5000-0.0000 0.2407 ( 3276 PWs) bands (ev): -0.3142 -0.3142 -0.3131 -0.3131 1.4399 1.4399 1.4499 1.4499 4.2797 4.2797 4.3178 4.3178 6.9307 6.9307 6.9783 6.9783 7.0277 7.0277 7.0681 7.0681 7.7645 7.7645 7.7968 7.7968 8.9262 8.9262 8.9275 8.9275 9.3616 9.3616 9.3694 9.3694 9.9135 9.9135 9.9444 9.9444 10.8718 10.8718 10.8971 10.8971 11.2239 11.2239 11.2588 11.2588 k = 0.5000-0.0000 0.2318 ( 3272 PWs) bands (ev): -0.3151 -0.3151 -0.3140 -0.3140 1.4414 1.4414 1.4514 1.4514 4.2805 4.2805 4.3186 4.3186 6.9184 6.9184 6.9561 6.9561 7.0493 7.0493 7.0800 7.0800 7.7645 7.7645 7.7966 7.7966 8.9261 8.9261 8.9276 8.9276 9.3609 9.3609 9.3680 9.3680 9.9087 9.9087 9.9390 9.9390 10.8733 10.8733 10.8976 10.8976 11.2296 11.2296 11.2635 11.2635 k = 0.5000-0.0000 0.2229 ( 3264 PWs) bands (ev): -0.3178 -0.3178 -0.3167 -0.3167 1.4460 1.4460 1.4560 1.4560 4.2830 4.2830 4.3209 4.3209 6.8892 6.8892 6.9192 6.9192 7.0847 7.0847 7.1080 7.1080 7.7645 7.7645 7.7960 7.7960 8.9256 8.9256 8.9281 8.9281 9.3588 9.3588 9.3635 9.3635 9.8948 9.8948 9.9235 9.9235 10.8774 10.8774 10.8991 10.8991 11.2465 11.2465 11.2775 11.2775 k = 0.5000-0.0000 0.2140 ( 3264 PWs) bands (ev): -0.3222 -0.3222 -0.3211 -0.3211 1.4536 1.4536 1.4634 1.4634 4.2872 4.2872 4.3247 4.3247 6.8527 6.8527 6.8797 6.8797 7.1215 7.1215 7.1425 7.1425 7.7645 7.7645 7.7950 7.7950 8.9243 8.9243 8.9284 8.9284 9.3546 9.3546 9.3553 9.3553 9.8743 9.8743 9.9001 9.9001 10.8832 10.8832 10.9011 10.9011 11.2734 11.2734 11.3002 11.3002 k = 0.5000-0.0000 0.2051 ( 3268 PWs) bands (ev): -0.3283 -0.3283 -0.3272 -0.3272 1.4639 1.4639 1.4737 1.4737 4.2930 4.2930 4.3300 4.3300 6.8130 6.8130 6.8392 6.8392 7.1582 7.1582 7.1795 7.1795 7.7644 7.7644 7.7936 7.7936 8.9218 8.9218 8.9282 8.9282 9.3429 9.3429 9.3481 9.3481 9.8501 9.8501 9.8721 9.8721 10.8895 10.8895 10.9032 10.9032 11.3090 11.3090 11.3308 11.3308 k = 0.5000-0.0000 0.1962 ( 3264 PWs) bands (ev): -0.3358 -0.3358 -0.3347 -0.3347 1.4769 1.4769 1.4865 1.4865 4.3005 4.3005 4.3369 4.3369 6.7716 6.7716 6.7981 6.7981 7.1944 7.1944 7.2172 7.2172 7.7644 7.7644 7.7919 7.7919 8.9173 8.9173 8.9267 8.9267 9.3257 9.3257 9.3385 9.3385 9.8258 9.8258 9.8429 9.8429 10.8956 10.8956 10.9051 10.9051 11.3513 11.3513 11.3679 11.3679 k = 0.5000-0.0000 0.1872 ( 3260 PWs) bands (ev): -0.3447 -0.3447 -0.3436 -0.3436 1.4922 1.4922 1.5018 1.5018 4.3097 4.3097 4.3453 4.3453 6.7293 6.7293 6.7565 6.7565 7.2299 7.2299 7.2550 7.2550 7.7644 7.7644 7.7898 7.7898 8.9096 8.9096 8.9226 8.9226 9.3039 9.3039 9.3256 9.3256 9.8045 9.8045 9.8160 9.8160 10.9009 10.9009 10.9067 10.9067 11.3987 11.3987 11.4101 11.4101 k = 0.5000-0.0000 0.1783 ( 3260 PWs) bands (ev): -0.3548 -0.3548 -0.3537 -0.3537 1.5097 1.5097 1.5191 1.5191 4.3206 4.3206 4.3553 4.3553 6.6865 6.6865 6.7145 6.7145 7.2647 7.2647 7.2925 7.2925 7.7644 7.7644 7.7874 7.7874 8.8973 8.8973 8.9143 8.9143 9.2786 9.2786 9.3098 9.3098 9.7885 9.7885 9.7942 9.7942 10.9052 10.9052 10.9079 10.9079 11.4495 11.4495 11.4560 11.4560 k = 0.5000-0.0000 0.1694 ( 3268 PWs) bands (ev): -0.3658 -0.3658 -0.3647 -0.3647 1.5291 1.5291 1.5382 1.5382 4.3331 4.3331 4.3668 4.3668 6.6432 6.6432 6.6722 6.6722 7.2985 7.2985 7.3295 7.3295 7.7643 7.7643 7.7847 7.7847 8.8786 8.8786 8.8993 8.8993 9.2527 9.2527 9.2927 9.2927 9.7788 9.7788 9.7792 9.7792 10.9084 10.9084 10.9087 10.9087 11.5023 11.5023 11.5043 11.5043 k = 0.5000-0.0000 0.1605 ( 3272 PWs) bands (ev): -0.3776 -0.3776 -0.3765 -0.3765 1.5499 1.5499 1.5589 1.5589 4.3473 4.3473 4.3799 4.3799 6.5998 6.5998 6.6296 6.6296 7.3315 7.3315 7.3658 7.3658 7.7643 7.7643 7.7818 7.7818 8.8519 8.8519 8.8752 8.8752 9.2300 9.2300 9.2765 9.2765 9.7714 9.7714 9.7754 9.7754 10.9091 10.9091 10.9109 10.9109 11.5538 11.5538 11.5560 11.5560 k = 0.5000-0.0000 0.1516 ( 3256 PWs) bands (ev): -0.3899 -0.3899 -0.3889 -0.3889 1.5720 1.5720 1.5807 1.5807 4.3632 4.3632 4.3945 4.3945 6.5563 6.5563 6.5869 6.5869 7.3636 7.3636 7.4015 7.4015 7.7643 7.7643 7.7786 7.7786 8.8164 8.8164 8.8405 8.8405 9.2135 9.2135 9.2636 9.2636 9.7705 9.7705 9.7776 9.7776 10.9095 10.9095 10.9126 10.9126 11.6039 11.6039 11.6099 11.6099 k = 0.5000-0.0000 0.1427 ( 3262 PWs) bands (ev): -0.4026 -0.4026 -0.4016 -0.4016 1.5949 1.5949 1.6033 1.6033 4.3807 4.3807 4.4106 4.4106 6.5128 6.5128 6.5439 6.5439 7.3946 7.3946 7.4362 7.4362 7.7643 7.7643 7.7752 7.7752 8.7721 8.7721 8.7955 8.7955 9.2046 9.2046 9.2553 9.2553 9.7751 9.7751 9.7844 9.7844 10.9095 10.9095 10.9136 10.9136 11.6538 11.6538 11.6631 11.6631 k = 0.5000-0.0000 0.1337 ( 3258 PWs) bands (ev): -0.4155 -0.4155 -0.4146 -0.4146 1.6184 1.6184 1.6264 1.6264 4.3997 4.3997 4.4281 4.4281 6.4694 6.4694 6.5009 6.5009 7.4247 7.4247 7.4701 7.4701 7.7644 7.7644 7.7716 7.7716 8.7204 8.7204 8.7420 8.7420 9.2029 9.2029 9.2521 9.2521 9.7845 9.7845 9.7949 9.7949 10.9094 10.9094 10.9140 10.9140 11.7031 11.7031 11.7154 11.7154 k = 0.5000-0.0000 0.1248 ( 3250 PWs) bands (ev): -0.4284 -0.4284 -0.4275 -0.4275 1.6421 1.6421 1.6498 1.6498 4.4202 4.4202 4.4469 4.4469 6.4263 6.4263 6.4579 6.4579 7.4537 7.4537 7.5030 7.5030 7.7646 7.7646 7.7678 7.7678 8.6630 8.6630 8.6827 8.6827 9.2071 9.2071 9.2535 9.2535 9.7973 9.7973 9.8082 9.8082 10.9092 10.9092 10.9141 10.9141 11.7515 11.7515 11.7664 11.7664 k = 0.5000-0.0000 0.1159 ( 3246 PWs) bands (ev): -0.4411 -0.4411 -0.4403 -0.4403 1.6656 1.6656 1.6729 1.6729 4.4419 4.4419 4.4670 4.4670 6.3837 6.3837 6.4150 6.4150 7.4817 7.4817 7.5351 7.5351 7.7640 7.7640 7.7649 7.7649 8.6020 8.6020 8.6201 8.6201 9.2154 9.2154 9.2587 9.2587 9.8127 9.8127 9.8235 9.8235 10.9089 10.9089 10.9138 10.9138 11.7988 11.7988 11.8159 11.8159 k = 0.5000-0.0000 0.1070 ( 3234 PWs) bands (ev): -0.4535 -0.4535 -0.4527 -0.4527 1.6888 1.6888 1.6957 1.6957 4.4648 4.4648 4.4880 4.4880 6.3416 6.3416 6.3724 6.3724 7.5085 7.5085 7.5662 7.5662 7.7600 7.7600 7.7656 7.7656 8.5392 8.5392 8.5562 8.5562 9.2269 9.2269 9.2667 9.2667 9.8298 9.8298 9.8401 9.8401 10.9086 10.9086 10.9133 10.9133 11.8449 11.8449 11.8639 11.8639 k = 0.5000-0.0000 0.0981 ( 3238 PWs) bands (ev): -0.4654 -0.4654 -0.4647 -0.4647 1.7112 1.7112 1.7177 1.7177 4.4886 4.4886 4.5099 4.5099 6.3004 6.3004 6.3304 6.3304 7.5343 7.5343 7.5963 7.5963 7.7561 7.7561 7.7665 7.7665 8.4759 8.4759 8.4924 8.4924 9.2403 9.2403 9.2766 9.2766 9.8478 9.8478 9.8573 9.8573 10.9083 10.9083 10.9126 10.9126 11.8897 11.8897 11.9103 11.9103 k = 0.5000-0.0000 0.0892 ( 3230 PWs) bands (ev): -0.4767 -0.4767 -0.4760 -0.4760 1.7327 1.7327 1.7386 1.7386 4.5130 4.5130 4.5324 4.5324 6.2604 6.2604 6.2891 6.2891 7.5589 7.5589 7.6256 7.6256 7.7522 7.7522 7.7680 7.7680 8.4134 8.4134 8.4299 8.4299 9.2550 9.2550 9.2879 9.2879 9.8662 9.8662 9.8747 9.8747 10.9080 10.9080 10.9118 10.9118 11.9333 11.9333 11.9550 11.9550 k = 0.5000-0.0000 0.0802 ( 3222 PWs) bands (ev): -0.4872 -0.4872 -0.4866 -0.4866 1.7529 1.7529 1.7584 1.7584 4.5376 4.5376 4.5551 4.5551 6.2218 6.2218 6.2490 6.2490 7.5822 7.5822 7.6538 7.6538 7.7486 7.7486 7.7703 7.7703 8.3527 8.3527 8.3696 8.3696 9.2703 9.2703 9.2999 9.2999 9.8844 9.8844 9.8918 9.8918 10.9077 10.9077 10.9110 10.9110 11.9756 11.9756 11.9980 11.9980 k = 0.5000-0.0000 0.0713 ( 3232 PWs) bands (ev): -0.4969 -0.4969 -0.4964 -0.4964 1.7717 1.7717 1.7766 1.7766 4.5621 4.5621 4.5775 4.5775 6.1852 6.1852 6.2105 6.2105 7.6041 7.6041 7.6805 7.6805 7.7456 7.7456 7.7735 7.7735 8.2944 8.2944 8.3120 8.3120 9.2856 9.2856 9.3119 9.3119 9.9018 9.9018 9.9081 9.9081 10.9073 10.9073 10.9101 10.9101 12.0165 12.0165 12.0390 12.0390 k = 0.5000-0.0000 0.0624 ( 3230 PWs) bands (ev): -0.5057 -0.5057 -0.5052 -0.5052 1.7888 1.7888 1.7931 1.7931 4.5859 4.5859 4.5993 4.5993 6.1510 6.1510 6.1741 6.1741 7.6243 7.6243 7.7045 7.7045 7.7448 7.7448 7.7783 7.7783 8.2391 8.2391 8.2576 8.2576 9.3006 9.3006 9.3235 9.3235 9.9181 9.9181 9.9234 9.9234 10.9071 10.9071 10.9093 10.9093 12.0558 12.0558 12.0781 12.0781 k = 0.5000-0.0000 0.0535 ( 3234 PWs) bands (ev): -0.5135 -0.5135 -0.5130 -0.5130 1.8040 1.8040 1.8078 1.8078 4.6085 4.6085 4.6199 4.6199 6.1197 6.1197 6.1403 6.1403 7.6425 7.6425 7.7198 7.7198 7.7520 7.7520 7.7850 7.7850 8.1875 8.1875 8.2067 8.2067 9.3147 9.3147 9.3343 9.3343 9.9330 9.9330 9.9372 9.9372 10.9069 10.9069 10.9086 10.9086 12.0933 12.0933 12.1147 12.1147 k = 0.5000-0.0000 0.0446 ( 3242 PWs) bands (ev): -0.5202 -0.5202 -0.5198 -0.5198 1.8172 1.8172 1.8204 1.8204 4.6293 4.6293 4.6387 4.6387 6.0921 6.0921 6.1098 6.1098 7.6584 7.6584 7.7226 7.7226 7.7712 7.7712 7.7941 7.7941 8.1398 8.1398 8.1596 8.1596 9.3275 9.3275 9.3439 9.3439 9.9460 9.9460 9.9493 9.9493 10.9067 10.9067 10.9080 10.9080 12.1284 12.1284 12.1484 12.1484 k = 0.5000-0.0000 0.0357 ( 3246 PWs) bands (ev): -0.5257 -0.5257 -0.5254 -0.5254 1.8283 1.8283 1.8308 1.8308 4.6476 4.6476 4.6551 4.6551 6.0686 6.0686 6.0832 6.0832 7.6717 7.6717 7.7205 7.7205 7.7943 7.7943 7.8057 7.8057 8.0969 8.0969 8.1166 8.1166 9.3388 9.3388 9.3519 9.3519 9.9571 9.9571 9.9596 9.9596 10.9066 10.9066 10.9076 10.9076 12.1606 12.1606 12.1782 12.1782 k = 0.5000-0.0000 0.0267 ( 3246 PWs) bands (ev): -0.5300 -0.5300 -0.5298 -0.5298 1.8370 1.8370 1.8390 1.8390 4.6629 4.6629 4.6684 4.6684 6.0500 6.0500 6.0612 6.0612 7.6825 7.6825 7.7171 7.7171 7.8171 7.8171 7.8196 7.8196 8.0596 8.0596 8.0781 8.0781 9.3483 9.3483 9.3582 9.3582 9.9659 9.9659 9.9677 9.9677 10.9065 10.9065 10.9072 10.9072 12.1886 12.1886 12.2032 12.2032 k = 0.5000-0.0000 0.0178 ( 3244 PWs) bands (ev): -0.5331 -0.5331 -0.5330 -0.5330 1.8435 1.8435 1.8448 1.8448 4.6745 4.6745 4.6782 4.6782 6.0369 6.0369 6.0444 6.0444 7.6912 7.6912 7.7132 7.7132 7.8345 7.8345 7.8373 7.8373 8.0297 8.0297 8.0453 8.0453 9.3557 9.3557 9.3623 9.3623 9.9724 9.9724 9.9735 9.9735 10.9065 10.9065 10.9069 10.9069 12.2113 12.2113 12.2217 12.2217 k = 0.5000-0.0000 0.0089 ( 3244 PWs) bands (ev): -0.5350 -0.5350 -0.5349 -0.5349 1.8475 1.8475 1.8481 1.8481 4.6821 4.6821 4.6839 4.6839 6.0295 6.0295 6.0333 6.0333 7.6982 7.6982 7.7088 7.7088 7.8479 7.8479 7.8513 7.8513 8.0109 8.0109 8.0204 8.0204 9.3609 9.3609 9.3642 9.3642 9.9764 9.9764 9.9770 9.9770 10.9065 10.9065 10.9068 10.9068 12.2269 12.2269 12.2324 12.2324 k = 0.5000-0.0000-0.0000 ( 3244 PWs) bands (ev): -0.5356 -0.5356 -0.5356 -0.5356 1.8490 1.8490 1.8491 1.8491 4.6852 4.6852 4.6852 4.6852 6.0283 6.0283 6.0283 6.0283 7.7039 7.7039 7.7039 7.7039 7.8550 7.8550 7.8550 7.8550 8.0075 8.0075 8.0076 8.0076 9.3637 9.3637 9.3639 9.3639 9.9779 9.9779 9.9781 9.9781 10.9065 10.9065 10.9067 10.9067 12.2341 12.2341 12.2343 12.2343 k = 0.5000 0.2718-0.0000 ( 3252 PWs) bands (ev): -0.4207 -0.4207 -0.4180 -0.4180 1.7265 1.7265 1.7323 1.7323 5.1674 5.1674 5.2035 5.2035 5.4102 5.4102 5.4302 5.4302 7.1258 7.1258 7.1994 7.1994 7.4193 7.4193 7.4360 7.4360 8.1584 8.1584 8.2567 8.2567 9.3816 9.3816 9.4255 9.4255 9.8524 9.8524 9.8823 9.8823 11.1791 11.1791 11.1863 11.1863 12.0906 12.0906 12.1105 12.1105 k = 0.5000 0.2718 0.0089 ( 3256 PWs) bands (ev): -0.4202 -0.4202 -0.4175 -0.4175 1.7263 1.7263 1.7321 1.7321 5.1622 5.1622 5.1983 5.1983 5.4094 5.4094 5.4290 5.4290 7.1318 7.1318 7.2050 7.2050 7.4206 7.4206 7.4371 7.4371 8.1587 8.1587 8.2565 8.2565 9.3830 9.3830 9.4266 9.4266 9.8536 9.8536 9.8833 9.8833 11.1787 11.1787 11.1860 11.1860 12.0914 12.0914 12.1112 12.1112 k = 0.5000 0.2718 0.0178 ( 3256 PWs) bands (ev): -0.4188 -0.4188 -0.4161 -0.4161 1.7258 1.7258 1.7316 1.7316 5.1473 5.1473 5.1832 5.1832 5.4070 5.4070 5.4255 5.4255 7.1496 7.1496 7.2211 7.2211 7.4250 7.4250 7.4408 7.4408 8.1594 8.1594 8.2560 8.2560 9.3872 9.3872 9.4298 9.4298 9.8571 9.8571 9.8861 9.8861 11.1775 11.1775 11.1851 11.1851 12.0939 12.0939 12.1134 12.1134 k = 0.5000 0.2718 0.0267 ( 3248 PWs) bands (ev): -0.4165 -0.4165 -0.4137 -0.4137 1.7251 1.7251 1.7307 1.7307 5.1237 5.1237 5.1593 5.1593 5.4023 5.4023 5.4192 5.4192 7.1780 7.1780 7.2467 7.2467 7.4328 7.4328 7.4473 7.4473 8.1605 8.1605 8.2553 8.2553 9.3942 9.3942 9.4352 9.4352 9.8630 9.8630 9.8908 9.8908 11.1757 11.1757 11.1836 11.1836 12.0981 12.0981 12.1171 12.1171 k = 0.5000 0.2718 0.0357 ( 3252 PWs) bands (ev): -0.4132 -0.4132 -0.4105 -0.4105 1.7240 1.7240 1.7296 1.7296 5.0930 5.0930 5.1281 5.1281 5.3948 5.3948 5.4097 5.4097 7.2152 7.2152 7.2791 7.2791 7.4458 7.4458 7.4573 7.4573 8.1620 8.1620 8.2542 8.2542 9.4036 9.4036 9.4423 9.4423 9.8712 9.8712 9.8974 9.8974 11.1730 11.1730 11.1816 11.1816 12.1041 12.1041 12.1226 12.1226 k = 0.5000 0.2718 0.0446 ( 3256 PWs) bands (ev): -0.4091 -0.4091 -0.4064 -0.4064 1.7226 1.7226 1.7280 1.7280 5.0568 5.0568 5.0912 5.0912 5.3840 5.3840 5.3968 5.3968 7.2583 7.2583 7.3144 7.3144 7.4668 7.4668 7.4725 7.4725 8.1639 8.1639 8.2529 8.2529 9.4150 9.4150 9.4510 9.4510 9.8817 9.8817 9.9059 9.9059 11.1696 11.1696 11.1789 11.1789 12.1122 12.1122 12.1298 12.1298 k = 0.5000 0.2718 0.0535 ( 3252 PWs) bands (ev): -0.4041 -0.4041 -0.4015 -0.4015 1.7208 1.7208 1.7262 1.7262 5.0165 5.0165 5.0501 5.0501 5.3699 5.3699 5.3805 5.3805 7.3032 7.3032 7.3471 7.3471 7.4957 7.4957 7.5000 7.5000 8.1662 8.1662 8.2514 8.2514 9.4282 9.4282 9.4611 9.4611 9.8948 9.8948 9.9164 9.9164 11.1654 11.1654 11.1756 11.1756 12.1225 12.1225 12.1391 12.1391 k = 0.5000 0.2718 0.0624 ( 3252 PWs) bands (ev): -0.3983 -0.3983 -0.3958 -0.3958 1.7187 1.7187 1.7239 1.7239 4.9734 4.9734 5.0060 5.0060 5.3526 5.3526 5.3609 5.3609 7.3446 7.3446 7.3735 7.3735 7.5305 7.5305 7.5477 7.5477 8.1690 8.1690 8.2500 8.2500 9.4426 9.4426 9.4720 9.4720 9.9102 9.9102 9.9288 9.9288 11.1603 11.1603 11.1716 11.1716 12.1352 12.1352 12.1507 12.1507 k = 0.5000 0.2718 0.0713 ( 3248 PWs) bands (ev): -0.3919 -0.3919 -0.3894 -0.3894 1.7163 1.7163 1.7213 1.7213 4.9287 4.9287 4.9601 4.9601 5.3323 5.3323 5.3385 5.3385 7.3782 7.3782 7.3938 7.3938 7.5792 7.5792 7.6079 7.6079 8.1726 8.1726 8.2489 8.2489 9.4579 9.4579 9.4836 9.4836 9.9279 9.9279 9.9432 9.9432 11.1544 11.1544 11.1669 11.1669 12.1506 12.1506 12.1647 12.1647 k = 0.5000 0.2718 0.0802 ( 3252 PWs) bands (ev): -0.3848 -0.3848 -0.3823 -0.3823 1.7136 1.7136 1.7184 1.7184 4.8832 4.8832 4.9135 4.9135 5.3093 5.3093 5.3136 5.3136 7.4041 7.4041 7.4103 7.4103 7.6399 7.6399 7.6765 7.6765 8.1776 8.1776 8.2489 8.2489 9.4732 9.4732 9.4952 9.4952 9.9477 9.9477 9.9594 9.9594 11.1475 11.1475 11.1613 11.1613 12.1690 12.1690 12.1815 12.1815 k = 0.5000 0.2718 0.0892 ( 3252 PWs) bands (ev): -0.3771 -0.3771 -0.3747 -0.3747 1.7105 1.7105 1.7151 1.7151 4.8379 4.8379 4.8670 4.8670 5.2841 5.2841 5.2866 5.2866 7.4248 7.4248 7.4251 7.4251 7.7079 7.7079 7.7493 7.7493 8.1852 8.1852 8.2510 8.2510 9.4885 9.4885 9.5068 9.5068 9.9695 9.9695 9.9772 9.9772 11.1397 11.1397 11.1550 11.1550 12.1906 12.1906 12.2012 12.2012 k = 0.5000 0.2718 0.0981 ( 3264 PWs) bands (ev): -0.3689 -0.3689 -0.3666 -0.3666 1.7071 1.7071 1.7114 1.7114 4.7934 4.7934 4.8212 4.8212 5.2571 5.2571 5.2580 5.2580 7.4390 7.4390 7.4425 7.4425 7.7776 7.7776 7.8222 7.8222 8.1973 8.1973 8.2572 8.2572 9.5029 9.5029 9.5178 9.5178 9.9929 9.9929 9.9965 9.9965 11.1309 11.1309 11.1476 11.1476 12.2156 12.2156 12.2243 12.2243 k = 0.5000 0.2718 0.1070 ( 3276 PWs) bands (ev): -0.3604 -0.3604 -0.3582 -0.3582 1.7034 1.7034 1.7075 1.7075 4.7502 4.7502 4.7767 4.7767 5.2284 5.2284 5.2289 5.2289 7.4529 7.4529 7.4587 7.4587 7.8434 7.8434 7.8905 7.8905 8.2172 8.2172 8.2707 8.2707 9.5164 9.5164 9.5280 9.5280 10.0169 10.0169 10.0175 10.0175 11.1211 11.1211 11.1393 11.1393 12.2443 12.2443 12.2507 12.2507 k = 0.5000 0.2718 0.1159 ( 3272 PWs) bands (ev): -0.3516 -0.3516 -0.3494 -0.3494 1.6994 1.6994 1.7032 1.7032 4.7089 4.7089 4.7341 4.7341 5.1981 5.1981 5.1998 5.1998 7.4668 7.4668 7.4744 7.4744 7.8993 7.8993 7.9485 7.9485 8.2490 8.2490 8.2961 8.2961 9.5286 9.5286 9.5375 9.5375 10.0382 10.0382 10.0430 10.0430 11.1102 11.1102 11.1299 11.1299 12.2768 12.2768 12.2808 12.2808 k = 0.5000 0.2718 0.1248 ( 3268 PWs) bands (ev): -0.3426 -0.3426 -0.3406 -0.3406 1.6952 1.6952 1.6988 1.6988 4.6698 4.6698 4.6936 4.6936 5.1676 5.1676 5.1703 5.1703 7.4810 7.4810 7.4897 7.4897 7.9407 7.9407 7.9908 7.9908 8.2960 8.2960 8.3377 8.3377 9.5391 9.5391 9.5457 9.5457 10.0600 10.0600 10.0688 10.0688 11.0983 11.0983 11.1195 11.1195 12.3130 12.3130 12.3145 12.3145 k = 0.5000 0.2718 0.1337 ( 3272 PWs) bands (ev): -0.3335 -0.3335 -0.3316 -0.3316 1.6909 1.6909 1.6941 1.6941 4.6333 4.6333 4.6557 4.6557 5.1374 5.1374 5.1409 5.1409 7.4955 7.4955 7.5050 7.5050 7.9668 7.9668 8.0160 8.0160 8.3580 8.3580 8.3958 8.3958 9.5479 9.5479 9.5526 9.5526 10.0818 10.0818 10.0945 10.0945 11.0855 11.0855 11.1079 11.1079 12.3517 12.3517 12.3528 12.3528 k = 0.5000 0.2718 0.1427 ( 3272 PWs) bands (ev): -0.3245 -0.3245 -0.3228 -0.3228 1.6864 1.6864 1.6894 1.6894 4.5995 4.5995 4.6205 4.6205 5.1078 5.1078 5.1119 5.1119 7.5102 7.5102 7.5203 7.5203 7.9805 7.9805 8.0275 8.0275 8.4312 8.4312 8.4664 8.4664 9.5546 9.5546 9.5579 9.5579 10.1034 10.1034 10.1196 10.1196 11.0716 11.0716 11.0952 11.0952 12.3924 12.3924 12.3960 12.3960 k = 0.5000 0.2718 0.1516 ( 3276 PWs) bands (ev): -0.3158 -0.3158 -0.3141 -0.3141 1.6818 1.6818 1.6845 1.6845 4.5687 4.5687 4.5881 4.5881 5.0793 5.0793 5.0838 5.0838 7.5250 7.5250 7.5355 7.5355 7.9858 7.9858 8.0297 8.0297 8.5108 8.5108 8.5443 8.5443 9.5591 9.5591 9.5616 9.5616 10.1244 10.1244 10.1437 10.1437 11.0570 11.0570 11.0814 11.0814 12.4360 12.4360 12.4421 12.4421 k = 0.5000 0.2718 0.1605 ( 3284 PWs) bands (ev): -0.3073 -0.3073 -0.3058 -0.3058 1.6773 1.6773 1.6798 1.6798 4.5410 4.5410 4.5588 4.5588 5.0522 5.0522 5.0570 5.0570 7.5398 7.5398 7.5505 7.5505 7.9856 7.9856 8.0260 8.0260 8.5931 8.5931 8.6253 8.6253 9.5613 9.5613 9.5634 9.5634 10.1446 10.1446 10.1664 10.1664 11.0418 11.0418 11.0666 11.0666 12.4819 12.4819 12.4904 12.4904 k = 0.5000 0.2718 0.1694 ( 3292 PWs) bands (ev): -0.2993 -0.2993 -0.2980 -0.2980 1.6730 1.6730 1.6751 1.6751 4.5164 4.5164 4.5326 4.5326 5.0269 5.0269 5.0318 5.0318 7.5545 7.5545 7.5652 7.5652 7.9820 7.9820 8.0187 8.0187 8.6754 8.6754 8.7061 8.7061 9.5611 9.5611 9.5632 9.5632 10.1638 10.1638 10.1873 10.1873 11.0262 11.0262 11.0511 11.0511 12.5295 12.5295 12.5398 12.5398 k = 0.5000 0.2718 0.1783 ( 3292 PWs) bands (ev): -0.2919 -0.2919 -0.2907 -0.2907 1.6688 1.6688 1.6707 1.6707 4.4949 4.4949 4.5094 4.5094 5.0038 5.0038 5.0085 5.0085 7.5689 7.5689 7.5794 7.5794 7.9764 7.9764 8.0093 8.0093 8.7554 8.7554 8.7846 8.7846 9.5586 9.5586 9.5610 9.5610 10.1818 10.1818 10.2061 10.2061 11.0108 11.0108 11.0351 11.0351 12.5775 12.5775 12.5893 12.5893 k = 0.5000 0.2718 0.1872 ( 3292 PWs) bands (ev): -0.2852 -0.2852 -0.2842 -0.2842 1.6650 1.6650 1.6666 1.6666 4.4767 4.4767 4.4893 4.4893 4.9831 4.9831 4.9875 4.9875 7.5827 7.5827 7.5927 7.5927 7.9698 7.9698 7.9988 7.9988 8.8315 8.8315 8.8588 8.8588 9.5539 9.5539 9.5568 9.5568 10.1985 10.1985 10.2226 10.2226 10.9959 10.9959 11.0190 11.0190 12.6247 12.6247 12.6373 12.6373 k = 0.5000 0.2718 0.1962 ( 3288 PWs) bands (ev): -0.2793 -0.2793 -0.2784 -0.2784 1.6616 1.6616 1.6629 1.6629 4.4616 4.4616 4.4723 4.4723 4.9651 4.9651 4.9691 4.9691 7.5956 7.5956 7.6048 7.6048 7.9631 7.9631 7.9879 7.9879 8.9019 8.9019 8.9269 8.9269 9.5470 9.5470 9.5505 9.5505 10.2137 10.2137 10.2365 10.2365 10.9822 10.9822 11.0033 11.0033 12.6696 12.6696 12.6821 12.6821 k = 0.5000 0.2718 0.2051 ( 3288 PWs) bands (ev): -0.2743 -0.2743 -0.2736 -0.2736 1.6587 1.6587 1.6598 1.6598 4.4495 4.4495 4.4582 4.4582 4.9502 4.9502 4.9536 4.9536 7.6073 7.6073 7.6154 7.6154 7.9569 7.9569 7.9773 7.9773 8.9650 8.9650 8.9868 8.9868 9.5386 9.5386 9.5426 9.5426 10.2273 10.2273 10.2476 10.2476 10.9703 10.9703 10.9886 10.9886 12.7102 12.7102 12.7218 12.7218 k = 0.5000 0.2718 0.2140 ( 3288 PWs) bands (ev): -0.2703 -0.2703 -0.2698 -0.2698 1.6564 1.6564 1.6572 1.6572 4.4405 4.4405 4.4471 4.4471 4.9385 4.9385 4.9411 4.9411 7.6173 7.6173 7.6239 7.6239 7.9519 7.9519 7.9676 7.9676 9.0187 9.0187 9.0367 9.0367 9.5297 9.5297 9.5337 9.5337 10.2390 10.2390 10.2556 10.2556 10.9608 10.9608 10.9755 10.9755 12.7449 12.7449 12.7546 12.7546 k = 0.5000 0.2718 0.2229 ( 3284 PWs) bands (ev): -0.2674 -0.2674 -0.2670 -0.2670 1.6547 1.6547 1.6552 1.6552 4.4344 4.4344 4.4389 4.4389 4.9301 4.9301 4.9319 4.9319 7.6253 7.6253 7.6300 7.6300 7.9487 7.9487 7.9594 7.9594 9.0610 9.0610 9.0739 9.0739 9.5216 9.5216 9.5251 9.5251 10.2486 10.2486 10.2604 10.2604 10.9544 10.9544 10.9647 10.9647 12.7718 12.7718 12.7788 12.7788 k = 0.5000 0.2718 0.2318 ( 3272 PWs) bands (ev): -0.2655 -0.2655 -0.2654 -0.2654 1.6538 1.6538 1.6540 1.6540 4.4313 4.4313 4.4335 4.4335 4.9252 4.9252 4.9261 4.9261 7.6308 7.6308 7.6333 7.6333 7.9477 7.9477 7.9532 7.9532 9.0893 9.0893 9.0961 9.0961 9.5163 9.5163 9.5183 9.5183 10.2559 10.2559 10.2620 10.2620 10.9516 10.9516 10.9569 10.9569 12.7894 12.7894 12.7931 12.7931 k = 0.5000 0.2718 0.2407 ( 3280 PWs) bands (ev): -0.2649 -0.2649 -0.2649 -0.2649 1.6535 1.6535 1.6535 1.6535 4.4310 4.4310 4.4310 4.4310 4.9239 4.9239 4.9239 4.9239 7.6334 7.6334 7.6336 7.6336 7.9491 7.9491 7.9492 7.9492 9.1013 9.1013 9.1015 9.1015 9.5149 9.5149 9.5151 9.5151 10.2604 10.2604 10.2605 10.2605 10.9522 10.9522 10.9525 10.9525 12.7966 12.7966 12.7967 12.7967 Writing output data file FeAs2.save init_run : 0.31s CPU 0.54s WALL ( 1 calls) electrons : 290.92s CPU 294.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 290.92s CPU 294.52s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 460 calls) cegterg : 269.80s CPU 272.79s WALL ( 816 calls) Called by sum_band: Called by *egterg: h_psi : 172.01s CPU 179.73s WALL ( 13407 calls) s_psi : 12.99s CPU 13.26s WALL ( 13407 calls) g_psi : 0.37s CPU 0.41s WALL ( 12131 calls) cdiaghg : 70.61s CPU 66.31s WALL ( 12591 calls) cegterg:over : 13.32s CPU 13.17s WALL ( 12131 calls) cegterg:upda : 3.31s CPU 5.87s WALL ( 12131 calls) cegterg:last : 3.54s CPU 4.51s WALL ( 2584 calls) Called by h_psi: h_psi:vloc : 155.94s CPU 161.42s WALL ( 13407 calls) h_psi:vnl : 15.99s CPU 18.04s WALL ( 13407 calls) add_vuspsi : 6.47s CPU 8.97s WALL ( 13407 calls) General routines calbec : 9.49s CPU 9.04s WALL ( 13407 calls) fft : 0.03s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 154.15s CPU 156.14s WALL ( 1382160 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.02s CPU 0.12s WALL ( 920 calls) Parallel routines fft_scatter : 139.10s CPU 111.69s WALL ( 1382183 calls) PWSCF : 5m16.59s CPU 5m32.09s WALL This run was terminated on: 16:48:21 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=