Program PWSCF v.5.1.1 starts on 9Oct2015 at 21:50:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 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 54 19 6 2045 434 72 Max 55 20 7 2050 452 76 Sum 2593 941 289 98269 21323 3587 bravais-lattice index = 14 lattice parameter (alat) = 7.5077 a.u. unit-cell volume = 420.8371 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.507656 celldm(2)= 1.000000 celldm(3)= 0.994492 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.001602 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.001602 0.999999 0.000000 ) a(3) = ( 0.000000 0.000000 0.994492 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.001602 -0.000000 ) b(2) = ( 0.000000 1.000001 -0.000000 ) b(3) = ( 0.000000 0.000000 1.005538 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] 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 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089143 0.0089286 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178286 0.0178572 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267429 0.0267858 -0.0000000), wk = 0.0020921 k( 5) = ( 0.0356572 0.0357143 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445715 0.0446429 -0.0000000), wk = 0.0020921 k( 7) = ( 0.0534857 0.0535715 -0.0000000), wk = 0.0020921 k( 8) = ( 0.0624000 0.0625001 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0713143 0.0714287 -0.0000000), wk = 0.0020921 k( 10) = ( 0.0802286 0.0803572 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0891429 0.0892858 -0.0000000), wk = 0.0020921 k( 12) = ( 0.0980572 0.0982144 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1069715 0.1071430 -0.0000000), wk = 0.0020921 k( 14) = ( 0.1158858 0.1160716 -0.0000000), wk = 0.0020921 k( 15) = ( 0.1248001 0.1250002 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1337144 0.1339287 -0.0000000), wk = 0.0020921 k( 17) = ( 0.1426287 0.1428573 -0.0000000), wk = 0.0020921 k( 18) = ( 0.1515430 0.1517859 -0.0000000), wk = 0.0020921 k( 19) = ( 0.1604573 0.1607145 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1693716 0.1696431 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1782858 0.1785717 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1872001 0.1875002 -0.0000000), wk = 0.0020921 k( 23) = ( 0.1961144 0.1964288 -0.0000000), wk = 0.0020921 k( 24) = ( 0.2050287 0.2053574 -0.0000000), wk = 0.0020921 k( 25) = ( 0.2139430 0.2142860 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2228573 0.2232146 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2317716 0.2321432 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2406859 0.2410717 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2496002 0.2500003 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2585145 0.2589289 -0.0000000), wk = 0.0020921 k( 31) = ( 0.2674288 0.2678575 -0.0000000), wk = 0.0020921 k( 32) = ( 0.2763430 0.2767861 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2852574 0.2857147 -0.0000000), wk = 0.0020921 k( 34) = ( 0.2941716 0.2946432 -0.0000000), wk = 0.0020921 k( 35) = ( 0.3030859 0.3035718 -0.0000000), wk = 0.0020921 k( 36) = ( 0.3120002 0.3125004 -0.0000000), wk = 0.0020921 k( 37) = ( 0.3209145 0.3214290 -0.0000000), wk = 0.0020921 k( 38) = ( 0.3298288 0.3303576 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3387431 0.3392862 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3476574 0.3482147 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3565717 0.3571433 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3654860 0.3660719 -0.0000000), wk = 0.0020921 k( 43) = ( 0.3744003 0.3750005 -0.0000000), wk = 0.0020921 k( 44) = ( 0.3833146 0.3839291 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3922289 0.3928576 -0.0000000), wk = 0.0020921 k( 46) = ( 0.4011431 0.4017862 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4100574 0.4107148 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4189717 0.4196434 -0.0000000), wk = 0.0020921 k( 49) = ( 0.4278860 0.4285720 -0.0000000), wk = 0.0020921 k( 50) = ( 0.4368003 0.4375006 -0.0000000), wk = 0.0020921 k( 51) = ( 0.4457146 0.4464291 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4546289 0.4553577 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4635432 0.4642863 -0.0000000), wk = 0.0020921 k( 54) = ( 0.4724575 0.4732149 -0.0000000), wk = 0.0020921 k( 55) = ( 0.4813718 0.4821435 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4902861 0.4910721 -0.0000000), wk = 0.0020921 k( 57) = ( 0.4992004 0.5000006 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4992004 0.5000006 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4867204 0.5000006 -0.0000000), wk = 0.0020921 k( 60) = ( 0.4742403 0.5000006 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4617603 0.5000006 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4492803 0.5000006 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4368003 0.5000006 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4243203 0.5000006 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4118403 0.5000006 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3993603 0.5000006 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3868803 0.5000006 -0.0000000), wk = 0.0020921 k( 68) = ( 0.3744003 0.5000006 -0.0000000), wk = 0.0020921 k( 69) = ( 0.3619203 0.5000006 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3494403 0.5000006 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3369602 0.5000006 -0.0000000), wk = 0.0020921 k( 72) = ( 0.3244802 0.5000006 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3120002 0.5000006 -0.0000000), wk = 0.0020921 k( 74) = ( 0.2995202 0.5000006 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2870402 0.5000006 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2745602 0.5000006 -0.0000000), wk = 0.0020921 k( 77) = ( 0.2620802 0.5000006 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2496002 0.5000006 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2371202 0.5000006 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2246402 0.5000006 -0.0000000), wk = 0.0020921 k( 81) = ( 0.2121601 0.5000006 -0.0000000), wk = 0.0020921 k( 82) = ( 0.1996801 0.5000006 -0.0000000), wk = 0.0020921 k( 83) = ( 0.1872001 0.5000006 -0.0000000), wk = 0.0020921 k( 84) = ( 0.1747201 0.5000006 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1622401 0.5000006 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1497601 0.5000006 -0.0000000), wk = 0.0020921 k( 87) = ( 0.1372801 0.5000006 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1248001 0.5000006 -0.0000000), wk = 0.0020921 k( 89) = ( 0.1123201 0.5000006 -0.0000000), wk = 0.0020921 k( 90) = ( 0.0998401 0.5000006 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0873601 0.5000006 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0748801 0.5000006 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0624000 0.5000006 -0.0000000), wk = 0.0020921 k( 94) = ( 0.0499200 0.5000006 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0374400 0.5000006 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249600 0.5000006 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124800 0.5000006 -0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000006 -0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000006 -0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000006 0.0125692), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000006 0.0251385), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000006 0.0377077), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000006 0.0502769), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000006 0.0628461), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000006 0.0754154), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000006 0.0879846), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000006 0.1005538), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000006 0.1131230), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000006 0.1256923), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000006 0.1382615), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000006 0.1508307), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000006 0.1633999), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000006 0.1759692), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000006 0.1885384), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000006 0.2011076), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000006 0.2136768), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000006 0.2262461), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000006 0.2388153), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000006 0.2513845), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000006 0.2639537), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000006 0.2765230), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000006 0.2890922), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000006 0.3016614), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000006 0.3142306), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000006 0.3267999), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000006 0.3393691), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000006 0.3519383), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000006 0.3645075), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000006 0.3770768), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000006 0.3896460), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000006 0.4022152), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000006 0.4147844), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000006 0.4273537), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000006 0.4399229), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000006 0.4524921), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000006 0.4650613), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000006 0.4776306), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000006 0.4901998), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000006 0.5027690), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000006 0.5027690), wk = 0.0020921 k( 141) = ( 0.0124800 0.5000006 0.5027690), wk = 0.0020921 k( 142) = ( 0.0249600 0.5000006 0.5027690), wk = 0.0020921 k( 143) = ( 0.0374400 0.5000006 0.5027690), wk = 0.0020921 k( 144) = ( 0.0499200 0.5000006 0.5027690), wk = 0.0020921 k( 145) = ( 0.0624000 0.5000006 0.5027690), wk = 0.0020921 k( 146) = ( 0.0748801 0.5000006 0.5027690), wk = 0.0020921 k( 147) = ( 0.0873601 0.5000006 0.5027690), wk = 0.0020921 k( 148) = ( 0.0998401 0.5000006 0.5027690), wk = 0.0020921 k( 149) = ( 0.1123201 0.5000006 0.5027690), wk = 0.0020921 k( 150) = ( 0.1248001 0.5000006 0.5027690), wk = 0.0020921 k( 151) = ( 0.1372801 0.5000006 0.5027690), wk = 0.0020921 k( 152) = ( 0.1497601 0.5000006 0.5027690), wk = 0.0020921 k( 153) = ( 0.1622401 0.5000006 0.5027690), wk = 0.0020921 k( 154) = ( 0.1747201 0.5000006 0.5027690), wk = 0.0020921 k( 155) = ( 0.1872001 0.5000006 0.5027690), wk = 0.0020921 k( 156) = ( 0.1996801 0.5000006 0.5027690), wk = 0.0020921 k( 157) = ( 0.2121601 0.5000006 0.5027690), wk = 0.0020921 k( 158) = ( 0.2246402 0.5000006 0.5027690), wk = 0.0020921 k( 159) = ( 0.2371202 0.5000006 0.5027690), wk = 0.0020921 k( 160) = ( 0.2496002 0.5000006 0.5027690), wk = 0.0020921 k( 161) = ( 0.2620802 0.5000006 0.5027690), wk = 0.0020921 k( 162) = ( 0.2745602 0.5000006 0.5027690), wk = 0.0020921 k( 163) = ( 0.2870402 0.5000006 0.5027690), wk = 0.0020921 k( 164) = ( 0.2995202 0.5000006 0.5027690), wk = 0.0020921 k( 165) = ( 0.3120002 0.5000006 0.5027690), wk = 0.0020921 k( 166) = ( 0.3244802 0.5000006 0.5027690), wk = 0.0020921 k( 167) = ( 0.3369602 0.5000006 0.5027690), wk = 0.0020921 k( 168) = ( 0.3494403 0.5000006 0.5027690), wk = 0.0020921 k( 169) = ( 0.3619203 0.5000006 0.5027690), wk = 0.0020921 k( 170) = ( 0.3744003 0.5000006 0.5027690), wk = 0.0020921 k( 171) = ( 0.3868803 0.5000006 0.5027690), wk = 0.0020921 k( 172) = ( 0.3993603 0.5000006 0.5027690), wk = 0.0020921 k( 173) = ( 0.4118403 0.5000006 0.5027690), wk = 0.0020921 k( 174) = ( 0.4243203 0.5000006 0.5027690), wk = 0.0020921 k( 175) = ( 0.4368003 0.5000006 0.5027690), wk = 0.0020921 k( 176) = ( 0.4492803 0.5000006 0.5027690), wk = 0.0020921 k( 177) = ( 0.4617603 0.5000006 0.5027690), wk = 0.0020921 k( 178) = ( 0.4742403 0.5000006 0.5027690), wk = 0.0020921 k( 179) = ( 0.4867204 0.5000006 0.5027690), wk = 0.0020921 k( 180) = ( 0.4992004 0.5000006 0.5027690), wk = 0.0020921 k( 181) = ( 0.4992004 0.5000006 0.5027690), wk = 0.0020921 k( 182) = ( 0.4902861 0.4910721 0.5027690), wk = 0.0020921 k( 183) = ( 0.4813718 0.4821435 0.5027690), wk = 0.0020921 k( 184) = ( 0.4724575 0.4732149 0.5027690), wk = 0.0020921 k( 185) = ( 0.4635432 0.4642863 0.5027690), wk = 0.0020921 k( 186) = ( 0.4546289 0.4553577 0.5027690), wk = 0.0020921 k( 187) = ( 0.4457146 0.4464291 0.5027690), wk = 0.0020921 k( 188) = ( 0.4368003 0.4375006 0.5027690), wk = 0.0020921 k( 189) = ( 0.4278860 0.4285720 0.5027690), wk = 0.0020921 k( 190) = ( 0.4189717 0.4196434 0.5027690), wk = 0.0020921 k( 191) = ( 0.4100574 0.4107148 0.5027690), wk = 0.0020921 k( 192) = ( 0.4011431 0.4017862 0.5027690), wk = 0.0020921 k( 193) = ( 0.3922289 0.3928576 0.5027690), wk = 0.0020921 k( 194) = ( 0.3833146 0.3839291 0.5027690), wk = 0.0020921 k( 195) = ( 0.3744003 0.3750005 0.5027690), wk = 0.0020921 k( 196) = ( 0.3654860 0.3660719 0.5027690), wk = 0.0020921 k( 197) = ( 0.3565717 0.3571433 0.5027690), wk = 0.0020921 k( 198) = ( 0.3476574 0.3482147 0.5027690), wk = 0.0020921 k( 199) = ( 0.3387431 0.3392862 0.5027690), wk = 0.0020921 k( 200) = ( 0.3298288 0.3303576 0.5027690), wk = 0.0020921 k( 201) = ( 0.3209145 0.3214290 0.5027690), wk = 0.0020921 k( 202) = ( 0.3120002 0.3125004 0.5027690), wk = 0.0020921 k( 203) = ( 0.3030859 0.3035718 0.5027690), wk = 0.0020921 k( 204) = ( 0.2941716 0.2946432 0.5027690), wk = 0.0020921 k( 205) = ( 0.2852574 0.2857147 0.5027690), wk = 0.0020921 k( 206) = ( 0.2763430 0.2767861 0.5027690), wk = 0.0020921 k( 207) = ( 0.2674288 0.2678575 0.5027690), wk = 0.0020921 k( 208) = ( 0.2585145 0.2589289 0.5027690), wk = 0.0020921 k( 209) = ( 0.2496002 0.2500003 0.5027690), wk = 0.0020921 k( 210) = ( 0.2406859 0.2410717 0.5027690), wk = 0.0020921 k( 211) = ( 0.2317716 0.2321432 0.5027690), wk = 0.0020921 k( 212) = ( 0.2228573 0.2232146 0.5027690), wk = 0.0020921 k( 213) = ( 0.2139430 0.2142860 0.5027690), wk = 0.0020921 k( 214) = ( 0.2050287 0.2053574 0.5027690), wk = 0.0020921 k( 215) = ( 0.1961144 0.1964288 0.5027690), wk = 0.0020921 k( 216) = ( 0.1872001 0.1875002 0.5027690), wk = 0.0020921 k( 217) = ( 0.1782858 0.1785717 0.5027690), wk = 0.0020921 k( 218) = ( 0.1693716 0.1696431 0.5027690), wk = 0.0020921 k( 219) = ( 0.1604573 0.1607145 0.5027690), wk = 0.0020921 k( 220) = ( 0.1515430 0.1517859 0.5027690), wk = 0.0020921 k( 221) = ( 0.1426287 0.1428573 0.5027690), wk = 0.0020921 k( 222) = ( 0.1337144 0.1339287 0.5027690), wk = 0.0020921 k( 223) = ( 0.1248001 0.1250002 0.5027690), wk = 0.0020921 k( 224) = ( 0.1158858 0.1160716 0.5027690), wk = 0.0020921 k( 225) = ( 0.1069715 0.1071430 0.5027690), wk = 0.0020921 k( 226) = ( 0.0980572 0.0982144 0.5027690), wk = 0.0020921 k( 227) = ( 0.0891429 0.0892858 0.5027690), wk = 0.0020921 k( 228) = ( 0.0802286 0.0803572 0.5027690), wk = 0.0020921 k( 229) = ( 0.0713143 0.0714287 0.5027690), wk = 0.0020921 k( 230) = ( 0.0624000 0.0625001 0.5027690), wk = 0.0020921 k( 231) = ( 0.0534857 0.0535715 0.5027690), wk = 0.0020921 k( 232) = ( 0.0445715 0.0446429 0.5027690), wk = 0.0020921 k( 233) = ( 0.0356572 0.0357143 0.5027690), wk = 0.0020921 k( 234) = ( 0.0267429 0.0267858 0.5027690), wk = 0.0020921 k( 235) = ( 0.0178286 0.0178572 0.5027690), wk = 0.0020921 k( 236) = ( 0.0089143 0.0089286 0.5027690), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5027690), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5027690), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4901998), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4776306), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4650613), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4524921), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4399229), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4273537), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4147844), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4022152), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3896460), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3770768), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3645075), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3519383), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3393691), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3267999), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3142306), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3016614), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2890922), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2765230), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2639537), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2513845), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2388153), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2262461), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2136768), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2011076), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1885384), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1759692), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1633999), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1508307), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1382615), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1256923), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1131230), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1005538), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0879846), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0754154), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0628461), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0502769), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0377077), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0251385), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125692), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089143 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178286 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267428 0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0356571 0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0445714 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0534857 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0624000 0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0713142 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0802285 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0891428 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0980571 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1069714 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1158856 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1247999 0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1337142 0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1426285 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1515428 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1604571 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1693713 0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1782856 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1871999 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1961142 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2050285 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2139427 0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2228570 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2317713 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2406856 0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2495999 0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2585141 0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2674284 0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2763427 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2852570 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2941713 0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3030855 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3119998 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3209141 0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3298284 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3387427 0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3476569 0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3565712 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3654855 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3743998 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3833141 0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3922283 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4011426 0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4100569 0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4189712 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4278855 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4367998 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4457140 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4546283 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4635426 0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4724569 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4813712 0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4902854 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.4991997 0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.4991997 0.0000000), wk = 0.0020921 k( 337) = ( -0.4992004 0.5000006 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4992004 0.5000006 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4992004 0.5000006 0.0125692), wk = 0.0020921 k( 340) = ( -0.4992004 0.5000006 0.0251385), wk = 0.0020921 k( 341) = ( -0.4992004 0.5000006 0.0377077), wk = 0.0020921 k( 342) = ( -0.4992004 0.5000006 0.0502769), wk = 0.0020921 k( 343) = ( -0.4992004 0.5000006 0.0628461), wk = 0.0020921 k( 344) = ( -0.4992004 0.5000006 0.0754154), wk = 0.0020921 k( 345) = ( -0.4992004 0.5000006 0.0879846), wk = 0.0020921 k( 346) = ( -0.4992004 0.5000006 0.1005538), wk = 0.0020921 k( 347) = ( -0.4992004 0.5000006 0.1131230), wk = 0.0020921 k( 348) = ( -0.4992004 0.5000006 0.1256923), wk = 0.0020921 k( 349) = ( -0.4992004 0.5000006 0.1382615), wk = 0.0020921 k( 350) = ( -0.4992004 0.5000006 0.1508307), wk = 0.0020921 k( 351) = ( -0.4992004 0.5000006 0.1633999), wk = 0.0020921 k( 352) = ( -0.4992004 0.5000006 0.1759692), wk = 0.0020921 k( 353) = ( -0.4992004 0.5000006 0.1885384), wk = 0.0020921 k( 354) = ( -0.4992004 0.5000006 0.2011076), wk = 0.0020921 k( 355) = ( -0.4992004 0.5000006 0.2136768), wk = 0.0020921 k( 356) = ( -0.4992004 0.5000006 0.2262461), wk = 0.0020921 k( 357) = ( -0.4992004 0.5000006 0.2388153), wk = 0.0020921 k( 358) = ( -0.4992004 0.5000006 0.2513845), wk = 0.0020921 k( 359) = ( -0.4992004 0.5000006 0.2639537), wk = 0.0020921 k( 360) = ( -0.4992004 0.5000006 0.2765230), wk = 0.0020921 k( 361) = ( -0.4992004 0.5000006 0.2890922), wk = 0.0020921 k( 362) = ( -0.4992004 0.5000006 0.3016614), wk = 0.0020921 k( 363) = ( -0.4992004 0.5000006 0.3142306), wk = 0.0020921 k( 364) = ( -0.4992004 0.5000006 0.3267999), wk = 0.0020921 k( 365) = ( -0.4992004 0.5000006 0.3393691), wk = 0.0020921 k( 366) = ( -0.4992004 0.5000006 0.3519383), wk = 0.0020921 k( 367) = ( -0.4992004 0.5000006 0.3645075), wk = 0.0020921 k( 368) = ( -0.4992004 0.5000006 0.3770768), wk = 0.0020921 k( 369) = ( -0.4992004 0.5000006 0.3896460), wk = 0.0020921 k( 370) = ( -0.4992004 0.5000006 0.4022152), wk = 0.0020921 k( 371) = ( -0.4992004 0.5000006 0.4147844), wk = 0.0020921 k( 372) = ( -0.4992004 0.5000006 0.4273537), wk = 0.0020921 k( 373) = ( -0.4992004 0.5000006 0.4399229), wk = 0.0020921 k( 374) = ( -0.4992004 0.5000006 0.4524921), wk = 0.0020921 k( 375) = ( -0.4992004 0.5000006 0.4650613), wk = 0.0020921 k( 376) = ( -0.4992004 0.5000006 0.4776306), wk = 0.0020921 k( 377) = ( -0.4992004 0.5000006 0.4901998), wk = 0.0020921 k( 378) = ( -0.4992004 0.5000006 0.5027690), wk = 0.0020921 k( 379) = ( -0.4992004 0.5000006 0.5027690), wk = 0.0020921 k( 380) = ( -0.5000000 0.4991997 0.5027690), wk = 0.0020921 k( 381) = ( -0.5000000 0.4991997 0.5027690), wk = 0.0020921 k( 382) = ( -0.5000000 0.4991997 0.4901998), wk = 0.0020921 k( 383) = ( -0.5000000 0.4991997 0.4776306), wk = 0.0020921 k( 384) = ( -0.5000000 0.4991997 0.4650613), wk = 0.0020921 k( 385) = ( -0.5000000 0.4991997 0.4524921), wk = 0.0020921 k( 386) = ( -0.5000000 0.4991997 0.4399229), wk = 0.0020921 k( 387) = ( -0.5000000 0.4991997 0.4273537), wk = 0.0020921 k( 388) = ( -0.5000000 0.4991997 0.4147844), wk = 0.0020921 k( 389) = ( -0.5000000 0.4991997 0.4022152), wk = 0.0020921 k( 390) = ( -0.5000000 0.4991997 0.3896460), wk = 0.0020921 k( 391) = ( -0.5000000 0.4991997 0.3770768), wk = 0.0020921 k( 392) = ( -0.5000000 0.4991997 0.3645075), wk = 0.0020921 k( 393) = ( -0.5000000 0.4991997 0.3519383), wk = 0.0020921 k( 394) = ( -0.5000000 0.4991997 0.3393691), wk = 0.0020921 k( 395) = ( -0.5000000 0.4991997 0.3267999), wk = 0.0020921 k( 396) = ( -0.5000000 0.4991997 0.3142306), wk = 0.0020921 k( 397) = ( -0.5000000 0.4991997 0.3016614), wk = 0.0020921 k( 398) = ( -0.5000000 0.4991997 0.2890922), wk = 0.0020921 k( 399) = ( -0.5000000 0.4991997 0.2765230), wk = 0.0020921 k( 400) = ( -0.5000000 0.4991997 0.2639537), wk = 0.0020921 k( 401) = ( -0.5000000 0.4991997 0.2513845), wk = 0.0020921 k( 402) = ( -0.5000000 0.4991997 0.2388153), wk = 0.0020921 k( 403) = ( -0.5000000 0.4991997 0.2262461), wk = 0.0020921 k( 404) = ( -0.5000000 0.4991997 0.2136768), wk = 0.0020921 k( 405) = ( -0.5000000 0.4991997 0.2011076), wk = 0.0020921 k( 406) = ( -0.5000000 0.4991997 0.1885384), wk = 0.0020921 k( 407) = ( -0.5000000 0.4991997 0.1759692), wk = 0.0020921 k( 408) = ( -0.5000000 0.4991997 0.1633999), wk = 0.0020921 k( 409) = ( -0.5000000 0.4991997 0.1508307), wk = 0.0020921 k( 410) = ( -0.5000000 0.4991997 0.1382615), wk = 0.0020921 k( 411) = ( -0.5000000 0.4991997 0.1256923), wk = 0.0020921 k( 412) = ( -0.5000000 0.4991997 0.1131230), wk = 0.0020921 k( 413) = ( -0.5000000 0.4991997 0.1005538), wk = 0.0020921 k( 414) = ( -0.5000000 0.4991997 0.0879846), wk = 0.0020921 k( 415) = ( -0.5000000 0.4991997 0.0754154), wk = 0.0020921 k( 416) = ( -0.5000000 0.4991997 0.0628461), wk = 0.0020921 k( 417) = ( -0.5000000 0.4991997 0.0502769), wk = 0.0020921 k( 418) = ( -0.5000000 0.4991997 0.0377077), wk = 0.0020921 k( 419) = ( -0.5000000 0.4991997 0.0251385), wk = 0.0020921 k( 420) = ( -0.5000000 0.4991997 0.0125692), wk = 0.0020921 k( 421) = ( -0.5000000 0.4991997 0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5027690), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089143 0.5027690), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178286 0.5027690), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267428 0.5027690), wk = 0.0020921 k( 426) = ( -0.0357143 0.0356571 0.5027690), wk = 0.0020921 k( 427) = ( -0.0446429 0.0445714 0.5027690), wk = 0.0020921 k( 428) = ( -0.0535714 0.0534857 0.5027690), wk = 0.0020921 k( 429) = ( -0.0625000 0.0624000 0.5027690), wk = 0.0020921 k( 430) = ( -0.0714286 0.0713142 0.5027690), wk = 0.0020921 k( 431) = ( -0.0803571 0.0802285 0.5027690), wk = 0.0020921 k( 432) = ( -0.0892857 0.0891428 0.5027690), wk = 0.0020921 k( 433) = ( -0.0982143 0.0980571 0.5027690), wk = 0.0020921 k( 434) = ( -0.1071429 0.1069714 0.5027690), wk = 0.0020921 k( 435) = ( -0.1160714 0.1158856 0.5027690), wk = 0.0020921 k( 436) = ( -0.1250000 0.1247999 0.5027690), wk = 0.0020921 k( 437) = ( -0.1339286 0.1337142 0.5027690), wk = 0.0020921 k( 438) = ( -0.1428571 0.1426285 0.5027690), wk = 0.0020921 k( 439) = ( -0.1517857 0.1515428 0.5027690), wk = 0.0020921 k( 440) = ( -0.1607143 0.1604571 0.5027690), wk = 0.0020921 k( 441) = ( -0.1696429 0.1693713 0.5027690), wk = 0.0020921 k( 442) = ( -0.1785714 0.1782856 0.5027690), wk = 0.0020921 k( 443) = ( -0.1875000 0.1871999 0.5027690), wk = 0.0020921 k( 444) = ( -0.1964286 0.1961142 0.5027690), wk = 0.0020921 k( 445) = ( -0.2053571 0.2050285 0.5027690), wk = 0.0020921 k( 446) = ( -0.2142857 0.2139427 0.5027690), wk = 0.0020921 k( 447) = ( -0.2232143 0.2228570 0.5027690), wk = 0.0020921 k( 448) = ( -0.2321429 0.2317713 0.5027690), wk = 0.0020921 k( 449) = ( -0.2410714 0.2406856 0.5027690), wk = 0.0020921 k( 450) = ( -0.2500000 0.2495999 0.5027690), wk = 0.0020921 k( 451) = ( -0.2589286 0.2585141 0.5027690), wk = 0.0020921 k( 452) = ( -0.2678571 0.2674284 0.5027690), wk = 0.0020921 k( 453) = ( -0.2767857 0.2763427 0.5027690), wk = 0.0020921 k( 454) = ( -0.2857143 0.2852570 0.5027690), wk = 0.0020921 k( 455) = ( -0.2946429 0.2941713 0.5027690), wk = 0.0020921 k( 456) = ( -0.3035714 0.3030855 0.5027690), wk = 0.0020921 k( 457) = ( -0.3125000 0.3119998 0.5027690), wk = 0.0020921 k( 458) = ( -0.3214286 0.3209141 0.5027690), wk = 0.0020921 k( 459) = ( -0.3303571 0.3298284 0.5027690), wk = 0.0020921 k( 460) = ( -0.3392857 0.3387427 0.5027690), wk = 0.0020921 k( 461) = ( -0.3482143 0.3476569 0.5027690), wk = 0.0020921 k( 462) = ( -0.3571429 0.3565712 0.5027690), wk = 0.0020921 k( 463) = ( -0.3660714 0.3654855 0.5027690), wk = 0.0020921 k( 464) = ( -0.3750000 0.3743998 0.5027690), wk = 0.0020921 k( 465) = ( -0.3839286 0.3833141 0.5027690), wk = 0.0020921 k( 466) = ( -0.3928571 0.3922283 0.5027690), wk = 0.0020921 k( 467) = ( -0.4017857 0.4011426 0.5027690), wk = 0.0020921 k( 468) = ( -0.4107143 0.4100569 0.5027690), wk = 0.0020921 k( 469) = ( -0.4196429 0.4189712 0.5027690), wk = 0.0020921 k( 470) = ( -0.4285714 0.4278855 0.5027690), wk = 0.0020921 k( 471) = ( -0.4375000 0.4367998 0.5027690), wk = 0.0020921 k( 472) = ( -0.4464286 0.4457140 0.5027690), wk = 0.0020921 k( 473) = ( -0.4553571 0.4546283 0.5027690), wk = 0.0020921 k( 474) = ( -0.4642857 0.4635426 0.5027690), wk = 0.0020921 k( 475) = ( -0.4732143 0.4724569 0.5027690), wk = 0.0020921 k( 476) = ( -0.4821429 0.4813712 0.5027690), wk = 0.0020921 k( 477) = ( -0.4910714 0.4902854 0.5027690), wk = 0.0020921 k( 478) = ( -0.5000000 0.4991997 0.5027690), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089143 0.0089143 0.0000000), wk = 0.0020921 k( 3) = ( 0.0178286 0.0178286 0.0000000), wk = 0.0020921 k( 4) = ( 0.0267429 0.0267429 0.0000000), wk = 0.0020921 k( 5) = ( 0.0356572 0.0356572 0.0000000), wk = 0.0020921 k( 6) = ( 0.0445715 0.0445715 0.0000000), wk = 0.0020921 k( 7) = ( 0.0534857 0.0534857 0.0000000), wk = 0.0020921 k( 8) = ( 0.0624000 0.0624000 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0713143 0.0713143 0.0000000), wk = 0.0020921 k( 10) = ( 0.0802286 0.0802286 0.0000000), wk = 0.0020921 k( 11) = ( 0.0891429 0.0891429 0.0000000), wk = 0.0020921 k( 12) = ( 0.0980572 0.0980572 0.0000000), wk = 0.0020921 k( 13) = ( 0.1069715 0.1069715 0.0000000), wk = 0.0020921 k( 14) = ( 0.1158858 0.1158858 0.0000000), wk = 0.0020921 k( 15) = ( 0.1248001 0.1248001 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1337144 0.1337144 0.0000000), wk = 0.0020921 k( 17) = ( 0.1426287 0.1426287 0.0000000), wk = 0.0020921 k( 18) = ( 0.1515430 0.1515430 0.0000000), wk = 0.0020921 k( 19) = ( 0.1604573 0.1604573 0.0000000), wk = 0.0020921 k( 20) = ( 0.1693716 0.1693716 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1782858 0.1782858 0.0000000), wk = 0.0020921 k( 22) = ( 0.1872001 0.1872001 0.0000000), wk = 0.0020921 k( 23) = ( 0.1961144 0.1961144 0.0000000), wk = 0.0020921 k( 24) = ( 0.2050287 0.2050287 0.0000000), wk = 0.0020921 k( 25) = ( 0.2139430 0.2139430 0.0000000), wk = 0.0020921 k( 26) = ( 0.2228573 0.2228573 0.0000000), wk = 0.0020921 k( 27) = ( 0.2317716 0.2317716 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2406859 0.2406859 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2496002 0.2496002 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2585145 0.2585145 0.0000000), wk = 0.0020921 k( 31) = ( 0.2674288 0.2674288 0.0000000), wk = 0.0020921 k( 32) = ( 0.2763430 0.2763431 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2852574 0.2852574 0.0000000), wk = 0.0020921 k( 34) = ( 0.2941716 0.2941716 0.0000000), wk = 0.0020921 k( 35) = ( 0.3030859 0.3030859 0.0000000), wk = 0.0020921 k( 36) = ( 0.3120002 0.3120002 0.0000000), wk = 0.0020921 k( 37) = ( 0.3209145 0.3209145 0.0000000), wk = 0.0020921 k( 38) = ( 0.3298288 0.3298288 0.0000000), wk = 0.0020921 k( 39) = ( 0.3387431 0.3387431 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3476574 0.3476574 0.0000000), wk = 0.0020921 k( 41) = ( 0.3565717 0.3565717 0.0000000), wk = 0.0020921 k( 42) = ( 0.3654860 0.3654860 0.0000000), wk = 0.0020921 k( 43) = ( 0.3744003 0.3744003 0.0000000), wk = 0.0020921 k( 44) = ( 0.3833146 0.3833146 0.0000000), wk = 0.0020921 k( 45) = ( 0.3922289 0.3922289 0.0000000), wk = 0.0020921 k( 46) = ( 0.4011431 0.4011431 0.0000000), wk = 0.0020921 k( 47) = ( 0.4100574 0.4100574 0.0000000), wk = 0.0020921 k( 48) = ( 0.4189717 0.4189717 0.0000000), wk = 0.0020921 k( 49) = ( 0.4278860 0.4278860 0.0000000), wk = 0.0020921 k( 50) = ( 0.4368003 0.4368003 0.0000000), wk = 0.0020921 k( 51) = ( 0.4457146 0.4457146 0.0000000), wk = 0.0020921 k( 52) = ( 0.4546289 0.4546289 0.0000000), wk = 0.0020921 k( 53) = ( 0.4635432 0.4635432 0.0000000), wk = 0.0020921 k( 54) = ( 0.4724575 0.4724575 0.0000000), wk = 0.0020921 k( 55) = ( 0.4813718 0.4813718 0.0000000), wk = 0.0020921 k( 56) = ( 0.4902861 0.4902861 0.0000000), wk = 0.0020921 k( 57) = ( 0.4992004 0.4992004 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4992004 0.4992004 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4867204 0.4992204 0.0000000), wk = 0.0020921 k( 60) = ( 0.4742403 0.4992403 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4617603 0.4992603 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4492803 0.4992803 0.0000000), wk = 0.0020921 k( 63) = ( 0.4368003 0.4993003 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4243203 0.4993203 0.0000000), wk = 0.0020921 k( 65) = ( 0.4118403 0.4993403 0.0000000), wk = 0.0020921 k( 66) = ( 0.3993603 0.4993603 0.0000000), wk = 0.0020921 k( 67) = ( 0.3868803 0.4993803 0.0000000), wk = 0.0020921 k( 68) = ( 0.3744003 0.4994003 0.0000000), wk = 0.0020921 k( 69) = ( 0.3619203 0.4994203 0.0000000), wk = 0.0020921 k( 70) = ( 0.3494403 0.4994402 0.0000000), wk = 0.0020921 k( 71) = ( 0.3369602 0.4994602 0.0000000), wk = 0.0020921 k( 72) = ( 0.3244802 0.4994802 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3120002 0.4995002 0.0000000), wk = 0.0020921 k( 74) = ( 0.2995202 0.4995202 0.0000000), wk = 0.0020921 k( 75) = ( 0.2870402 0.4995402 0.0000000), wk = 0.0020921 k( 76) = ( 0.2745602 0.4995602 0.0000000), wk = 0.0020921 k( 77) = ( 0.2620802 0.4995802 0.0000000), wk = 0.0020921 k( 78) = ( 0.2496002 0.4996002 0.0000000), wk = 0.0020921 k( 79) = ( 0.2371202 0.4996202 0.0000000), wk = 0.0020921 k( 80) = ( 0.2246402 0.4996402 0.0000000), wk = 0.0020921 k( 81) = ( 0.2121601 0.4996601 0.0000000), wk = 0.0020921 k( 82) = ( 0.1996801 0.4996801 0.0000000), wk = 0.0020921 k( 83) = ( 0.1872001 0.4997001 0.0000000), wk = 0.0020921 k( 84) = ( 0.1747201 0.4997201 0.0000000), wk = 0.0020921 k( 85) = ( 0.1622401 0.4997401 0.0000000), wk = 0.0020921 k( 86) = ( 0.1497601 0.4997601 0.0000000), wk = 0.0020921 k( 87) = ( 0.1372801 0.4997801 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1248001 0.4998001 0.0000000), wk = 0.0020921 k( 89) = ( 0.1123201 0.4998201 0.0000000), wk = 0.0020921 k( 90) = ( 0.0998401 0.4998401 0.0000000), wk = 0.0020921 k( 91) = ( 0.0873601 0.4998601 0.0000000), wk = 0.0020921 k( 92) = ( 0.0748801 0.4998801 0.0000000), wk = 0.0020921 k( 93) = ( 0.0624000 0.4999000 0.0000000), wk = 0.0020921 k( 94) = ( 0.0499200 0.4999200 0.0000000), wk = 0.0020921 k( 95) = ( 0.0374400 0.4999400 0.0000000), wk = 0.0020921 k( 96) = ( 0.0249600 0.4999600 0.0000000), wk = 0.0020921 k( 97) = ( 0.0124800 0.4999800 0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 141) = ( 0.0124800 0.4999800 0.5000000), wk = 0.0020921 k( 142) = ( 0.0249600 0.4999600 0.5000000), wk = 0.0020921 k( 143) = ( 0.0374400 0.4999400 0.5000000), wk = 0.0020921 k( 144) = ( 0.0499200 0.4999200 0.5000000), wk = 0.0020921 k( 145) = ( 0.0624000 0.4999000 0.5000000), wk = 0.0020921 k( 146) = ( 0.0748801 0.4998801 0.5000000), wk = 0.0020921 k( 147) = ( 0.0873601 0.4998601 0.5000000), wk = 0.0020921 k( 148) = ( 0.0998401 0.4998401 0.5000000), wk = 0.0020921 k( 149) = ( 0.1123201 0.4998201 0.5000000), wk = 0.0020921 k( 150) = ( 0.1248001 0.4998001 0.5000000), wk = 0.0020921 k( 151) = ( 0.1372801 0.4997801 0.5000000), wk = 0.0020921 k( 152) = ( 0.1497601 0.4997601 0.5000000), wk = 0.0020921 k( 153) = ( 0.1622401 0.4997401 0.5000000), wk = 0.0020921 k( 154) = ( 0.1747201 0.4997201 0.5000000), wk = 0.0020921 k( 155) = ( 0.1872001 0.4997001 0.5000000), wk = 0.0020921 k( 156) = ( 0.1996801 0.4996801 0.5000000), wk = 0.0020921 k( 157) = ( 0.2121601 0.4996601 0.5000000), wk = 0.0020921 k( 158) = ( 0.2246402 0.4996402 0.5000000), wk = 0.0020921 k( 159) = ( 0.2371202 0.4996202 0.5000000), wk = 0.0020921 k( 160) = ( 0.2496002 0.4996002 0.5000000), wk = 0.0020921 k( 161) = ( 0.2620802 0.4995802 0.5000000), wk = 0.0020921 k( 162) = ( 0.2745602 0.4995602 0.5000000), wk = 0.0020921 k( 163) = ( 0.2870402 0.4995402 0.5000000), wk = 0.0020921 k( 164) = ( 0.2995202 0.4995202 0.5000000), wk = 0.0020921 k( 165) = ( 0.3120002 0.4995002 0.5000000), wk = 0.0020921 k( 166) = ( 0.3244802 0.4994802 0.5000000), wk = 0.0020921 k( 167) = ( 0.3369602 0.4994602 0.5000000), wk = 0.0020921 k( 168) = ( 0.3494403 0.4994402 0.5000000), wk = 0.0020921 k( 169) = ( 0.3619203 0.4994203 0.5000000), wk = 0.0020921 k( 170) = ( 0.3744003 0.4994003 0.5000000), wk = 0.0020921 k( 171) = ( 0.3868803 0.4993803 0.5000000), wk = 0.0020921 k( 172) = ( 0.3993603 0.4993603 0.5000000), wk = 0.0020921 k( 173) = ( 0.4118403 0.4993403 0.5000000), wk = 0.0020921 k( 174) = ( 0.4243203 0.4993203 0.5000000), wk = 0.0020921 k( 175) = ( 0.4368003 0.4993003 0.5000000), wk = 0.0020921 k( 176) = ( 0.4492803 0.4992803 0.5000000), wk = 0.0020921 k( 177) = ( 0.4617603 0.4992603 0.5000000), wk = 0.0020921 k( 178) = ( 0.4742403 0.4992403 0.5000000), wk = 0.0020921 k( 179) = ( 0.4867204 0.4992204 0.5000000), wk = 0.0020921 k( 180) = ( 0.4992004 0.4992004 0.5000000), wk = 0.0020921 k( 181) = ( 0.4992004 0.4992004 0.5000000), wk = 0.0020921 k( 182) = ( 0.4902861 0.4902861 0.5000000), wk = 0.0020921 k( 183) = ( 0.4813718 0.4813718 0.5000000), wk = 0.0020921 k( 184) = ( 0.4724575 0.4724575 0.5000000), wk = 0.0020921 k( 185) = ( 0.4635432 0.4635432 0.5000000), wk = 0.0020921 k( 186) = ( 0.4546289 0.4546289 0.5000000), wk = 0.0020921 k( 187) = ( 0.4457146 0.4457146 0.5000000), wk = 0.0020921 k( 188) = ( 0.4368003 0.4368003 0.5000000), wk = 0.0020921 k( 189) = ( 0.4278860 0.4278860 0.5000000), wk = 0.0020921 k( 190) = ( 0.4189717 0.4189717 0.5000000), wk = 0.0020921 k( 191) = ( 0.4100574 0.4100574 0.5000000), wk = 0.0020921 k( 192) = ( 0.4011431 0.4011431 0.5000000), wk = 0.0020921 k( 193) = ( 0.3922289 0.3922289 0.5000000), wk = 0.0020921 k( 194) = ( 0.3833146 0.3833146 0.5000000), wk = 0.0020921 k( 195) = ( 0.3744003 0.3744003 0.5000000), wk = 0.0020921 k( 196) = ( 0.3654860 0.3654860 0.5000000), wk = 0.0020921 k( 197) = ( 0.3565717 0.3565717 0.5000000), wk = 0.0020921 k( 198) = ( 0.3476574 0.3476574 0.5000000), wk = 0.0020921 k( 199) = ( 0.3387431 0.3387431 0.5000000), wk = 0.0020921 k( 200) = ( 0.3298288 0.3298288 0.5000000), wk = 0.0020921 k( 201) = ( 0.3209145 0.3209145 0.5000000), wk = 0.0020921 k( 202) = ( 0.3120002 0.3120002 0.5000000), wk = 0.0020921 k( 203) = ( 0.3030859 0.3030859 0.5000000), wk = 0.0020921 k( 204) = ( 0.2941716 0.2941716 0.5000000), wk = 0.0020921 k( 205) = ( 0.2852574 0.2852574 0.5000000), wk = 0.0020921 k( 206) = ( 0.2763430 0.2763431 0.5000000), wk = 0.0020921 k( 207) = ( 0.2674288 0.2674288 0.5000000), wk = 0.0020921 k( 208) = ( 0.2585145 0.2585145 0.5000000), wk = 0.0020921 k( 209) = ( 0.2496002 0.2496002 0.5000000), wk = 0.0020921 k( 210) = ( 0.2406859 0.2406859 0.5000000), wk = 0.0020921 k( 211) = ( 0.2317716 0.2317716 0.5000000), wk = 0.0020921 k( 212) = ( 0.2228573 0.2228573 0.5000000), wk = 0.0020921 k( 213) = ( 0.2139430 0.2139430 0.5000000), wk = 0.0020921 k( 214) = ( 0.2050287 0.2050287 0.5000000), wk = 0.0020921 k( 215) = ( 0.1961144 0.1961144 0.5000000), wk = 0.0020921 k( 216) = ( 0.1872001 0.1872001 0.5000000), wk = 0.0020921 k( 217) = ( 0.1782858 0.1782858 0.5000000), wk = 0.0020921 k( 218) = ( 0.1693716 0.1693716 0.5000000), wk = 0.0020921 k( 219) = ( 0.1604573 0.1604573 0.5000000), wk = 0.0020921 k( 220) = ( 0.1515430 0.1515430 0.5000000), wk = 0.0020921 k( 221) = ( 0.1426287 0.1426287 0.5000000), wk = 0.0020921 k( 222) = ( 0.1337144 0.1337144 0.5000000), wk = 0.0020921 k( 223) = ( 0.1248001 0.1248001 0.5000000), wk = 0.0020921 k( 224) = ( 0.1158858 0.1158858 0.5000000), wk = 0.0020921 k( 225) = ( 0.1069715 0.1069715 0.5000000), wk = 0.0020921 k( 226) = ( 0.0980572 0.0980572 0.5000000), wk = 0.0020921 k( 227) = ( 0.0891429 0.0891429 0.5000000), wk = 0.0020921 k( 228) = ( 0.0802286 0.0802286 0.5000000), wk = 0.0020921 k( 229) = ( 0.0713143 0.0713143 0.5000000), wk = 0.0020921 k( 230) = ( 0.0624000 0.0624000 0.5000000), wk = 0.0020921 k( 231) = ( 0.0534857 0.0534857 0.5000000), wk = 0.0020921 k( 232) = ( 0.0445715 0.0445715 0.5000000), wk = 0.0020921 k( 233) = ( 0.0356572 0.0356572 0.5000000), wk = 0.0020921 k( 234) = ( 0.0267429 0.0267429 0.5000000), wk = 0.0020921 k( 235) = ( 0.0178286 0.0178286 0.5000000), wk = 0.0020921 k( 236) = ( 0.0089143 0.0089143 0.5000000), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0446429 -0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0982143 -0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1517857 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2053571 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2232143 -0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3303571 -0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4732143 -0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 337) = ( -0.4992004 0.5007996 0.0000000), wk = 0.0020921 k( 338) = ( -0.4992004 0.5007996 0.0000000), wk = 0.0020921 k( 339) = ( -0.4992004 0.5007996 0.0125000), wk = 0.0020921 k( 340) = ( -0.4992004 0.5007996 0.0250000), wk = 0.0020921 k( 341) = ( -0.4992004 0.5007996 0.0375000), wk = 0.0020921 k( 342) = ( -0.4992004 0.5007996 0.0500000), wk = 0.0020921 k( 343) = ( -0.4992004 0.5007996 0.0625000), wk = 0.0020921 k( 344) = ( -0.4992004 0.5007996 0.0750000), wk = 0.0020921 k( 345) = ( -0.4992004 0.5007996 0.0875000), wk = 0.0020921 k( 346) = ( -0.4992004 0.5007996 0.1000000), wk = 0.0020921 k( 347) = ( -0.4992004 0.5007996 0.1125000), wk = 0.0020921 k( 348) = ( -0.4992004 0.5007996 0.1250000), wk = 0.0020921 k( 349) = ( -0.4992004 0.5007996 0.1375000), wk = 0.0020921 k( 350) = ( -0.4992004 0.5007996 0.1500000), wk = 0.0020921 k( 351) = ( -0.4992004 0.5007996 0.1625000), wk = 0.0020921 k( 352) = ( -0.4992004 0.5007996 0.1750000), wk = 0.0020921 k( 353) = ( -0.4992004 0.5007996 0.1875000), wk = 0.0020921 k( 354) = ( -0.4992004 0.5007996 0.2000000), wk = 0.0020921 k( 355) = ( -0.4992004 0.5007996 0.2125000), wk = 0.0020921 k( 356) = ( -0.4992004 0.5007996 0.2250000), wk = 0.0020921 k( 357) = ( -0.4992004 0.5007996 0.2375000), wk = 0.0020921 k( 358) = ( -0.4992004 0.5007996 0.2500000), wk = 0.0020921 k( 359) = ( -0.4992004 0.5007996 0.2625000), wk = 0.0020921 k( 360) = ( -0.4992004 0.5007996 0.2750000), wk = 0.0020921 k( 361) = ( -0.4992004 0.5007996 0.2875000), wk = 0.0020921 k( 362) = ( -0.4992004 0.5007996 0.3000000), wk = 0.0020921 k( 363) = ( -0.4992004 0.5007996 0.3125000), wk = 0.0020921 k( 364) = ( -0.4992004 0.5007996 0.3250000), wk = 0.0020921 k( 365) = ( -0.4992004 0.5007996 0.3375000), wk = 0.0020921 k( 366) = ( -0.4992004 0.5007996 0.3500000), wk = 0.0020921 k( 367) = ( -0.4992004 0.5007996 0.3625000), wk = 0.0020921 k( 368) = ( -0.4992004 0.5007996 0.3750000), wk = 0.0020921 k( 369) = ( -0.4992004 0.5007996 0.3875000), wk = 0.0020921 k( 370) = ( -0.4992004 0.5007996 0.4000000), wk = 0.0020921 k( 371) = ( -0.4992004 0.5007996 0.4125000), wk = 0.0020921 k( 372) = ( -0.4992004 0.5007996 0.4250000), wk = 0.0020921 k( 373) = ( -0.4992004 0.5007996 0.4375000), wk = 0.0020921 k( 374) = ( -0.4992004 0.5007996 0.4500000), wk = 0.0020921 k( 375) = ( -0.4992004 0.5007996 0.4625000), wk = 0.0020921 k( 376) = ( -0.4992004 0.5007996 0.4750000), wk = 0.0020921 k( 377) = ( -0.4992004 0.5007996 0.4875000), wk = 0.0020921 k( 378) = ( -0.4992004 0.5007996 0.5000000), wk = 0.0020921 k( 379) = ( -0.4992004 0.5007996 0.5000000), wk = 0.0020921 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 382) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0020921 k( 383) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0020921 k( 384) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0020921 k( 385) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0020921 k( 386) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0020921 k( 387) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0020921 k( 388) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0020921 k( 389) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020921 k( 390) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0020921 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020921 k( 392) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0020921 k( 393) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0020921 k( 394) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0020921 k( 395) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0020921 k( 396) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0020921 k( 397) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020921 k( 398) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0020921 k( 399) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0020921 k( 400) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0020921 k( 401) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020921 k( 402) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0020921 k( 403) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0020921 k( 404) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0020921 k( 405) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020921 k( 406) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0020921 k( 407) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0020921 k( 408) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0020921 k( 409) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0020921 k( 410) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0020921 k( 411) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020921 k( 412) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0020921 k( 413) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020921 k( 414) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0020921 k( 415) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0020921 k( 416) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0020921 k( 417) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0020921 k( 418) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0020921 k( 419) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0020921 k( 420) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0020921 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0020921 k( 426) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0020921 k( 427) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0020921 k( 428) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0020921 k( 429) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0020921 k( 430) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0020921 k( 431) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0020921 k( 432) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0020921 k( 433) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0020921 k( 434) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0020921 k( 435) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0020921 k( 436) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0020921 k( 437) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0020921 k( 438) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0020921 k( 439) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0020921 k( 440) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0020921 k( 441) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0020921 k( 442) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0020921 k( 443) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0020921 k( 444) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0020921 k( 445) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0020921 k( 446) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0020921 k( 447) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0020921 k( 448) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0020921 k( 449) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0020921 k( 450) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020921 k( 451) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0020921 k( 452) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0020921 k( 453) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0020921 k( 454) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0020921 k( 455) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0020921 k( 456) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0020921 k( 457) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0020921 k( 458) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0020921 k( 459) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0020921 k( 460) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0020921 k( 461) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0020921 k( 462) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0020921 k( 463) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0020921 k( 464) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0020921 k( 465) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0020921 k( 466) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0020921 k( 467) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0020921 k( 468) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0020921 k( 469) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0020921 k( 470) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0020921 k( 471) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0020921 k( 472) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0020921 k( 473) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0020921 k( 474) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0020921 k( 475) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0020921 k( 476) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0020921 k( 477) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0020921 k( 478) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 Dense grid: 98269 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21323 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 126, 48) NL pseudopotentials 0.11 Mb ( 63, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2046) G-vector shells 0.01 Mb ( 1017) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 126, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 50.2 secs Computing kpt #: 3 total cpu time spent up to now is 52.8 secs Computing kpt #: 4 total cpu time spent up to now is 55.1 secs Computing kpt #: 5 total cpu time spent up to now is 57.3 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.6 secs Computing kpt #: 7 total cpu time spent up to now is 62.0 secs Computing kpt #: 8 total cpu time spent up to now is 63.8 secs Computing kpt #: 9 total cpu time spent up to now is 65.5 secs Computing kpt #: 10 total cpu time spent up to now is 67.1 secs Computing kpt #: 11 total cpu time spent up to now is 68.4 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 71.5 secs Computing kpt #: 14 total cpu time spent up to now is 72.9 secs Computing kpt #: 15 total cpu time spent up to now is 74.2 secs Computing kpt #: 16 total cpu time spent up to now is 75.7 secs Computing kpt #: 17 total cpu time spent up to now is 77.0 secs Computing kpt #: 18 total cpu time spent up to now is 78.6 secs Computing kpt #: 19 total cpu time spent up to now is 80.1 secs Computing kpt #: 20 total cpu time spent up to now is 81.5 secs Computing kpt #: 21 total cpu time spent up to now is 82.9 secs Computing kpt #: 22 total cpu time spent up to now is 84.2 secs Computing kpt #: 23 total cpu time spent up to now is 85.4 secs Computing kpt #: 24 total cpu time spent up to now is 86.8 secs Computing kpt #: 25 total cpu time spent up to now is 88.1 secs Computing kpt #: 26 total cpu time spent up to now is 89.3 secs Computing kpt #: 27 total cpu time spent up to now is 90.6 secs Computing kpt #: 28 total cpu time spent up to now is 92.1 secs Computing kpt #: 29 total cpu time spent up to now is 93.3 secs Computing kpt #: 30 total cpu time spent up to now is 94.5 secs Computing kpt #: 31 total cpu time spent up to now is 95.8 secs Computing kpt #: 32 total cpu time spent up to now is 97.0 secs Computing kpt #: 33 total cpu time spent up to now is 98.2 secs Computing kpt #: 34 total cpu time spent up to now is 99.4 secs Computing kpt #: 35 total cpu time spent up to now is 100.7 secs Computing kpt #: 36 total cpu time spent up to now is 101.9 secs Computing kpt #: 37 total cpu time spent up to now is 103.2 secs Computing kpt #: 38 total cpu time spent up to now is 104.4 secs Computing kpt #: 39 total cpu time spent up to now is 106.0 secs Computing kpt #: 40 total cpu time spent up to now is 107.2 secs Computing kpt #: 41 total cpu time spent up to now is 108.5 secs Computing kpt #: 42 total cpu time spent up to now is 109.6 secs Computing kpt #: 43 total cpu time spent up to now is 111.0 secs Computing kpt #: 44 total cpu time spent up to now is 112.4 secs Computing kpt #: 45 total cpu time spent up to now is 113.8 secs Computing kpt #: 46 total cpu time spent up to now is 115.1 secs Computing kpt #: 47 total cpu time spent up to now is 116.4 secs Computing kpt #: 48 total cpu time spent up to now is 117.9 secs Computing kpt #: 49 total cpu time spent up to now is 118.9 secs Computing kpt #: 50 total cpu time spent up to now is 120.0 secs Computing kpt #: 51 total cpu time spent up to now is 121.0 secs Computing kpt #: 52 total cpu time spent up to now is 122.0 secs Computing kpt #: 53 total cpu time spent up to now is 123.2 secs Computing kpt #: 54 total cpu time spent up to now is 124.2 secs Computing kpt #: 55 total cpu time spent up to now is 125.3 secs Computing kpt #: 56 total cpu time spent up to now is 126.3 secs Computing kpt #: 57 total cpu time spent up to now is 127.3 secs Computing kpt #: 58 total cpu time spent up to now is 128.3 secs Computing kpt #: 59 total cpu time spent up to now is 129.6 secs Computing kpt #: 60 total cpu time spent up to now is 130.7 secs Computing kpt #: 61 total cpu time spent up to now is 131.8 secs Computing kpt #: 62 total cpu time spent up to now is 132.9 secs Computing kpt #: 63 total cpu time spent up to now is 133.9 secs Computing kpt #: 64 total cpu time spent up to now is 134.9 secs Computing kpt #: 65 total cpu time spent up to now is 136.0 secs Computing kpt #: 66 total cpu time spent up to now is 137.2 secs Computing kpt #: 67 total cpu time spent up to now is 138.1 secs Computing kpt #: 68 total cpu time spent up to now is 139.1 secs Computing kpt #: 69 total cpu time spent up to now is 140.2 secs Computing kpt #: 70 total cpu time spent up to now is 141.4 secs Computing kpt #: 71 total cpu time spent up to now is 142.7 secs Computing kpt #: 72 total cpu time spent up to now is 143.9 secs Computing kpt #: 73 total cpu time spent up to now is 145.2 secs Computing kpt #: 74 total cpu time spent up to now is 146.5 secs Computing kpt #: 75 total cpu time spent up to now is 147.9 secs Computing kpt #: 76 total cpu time spent up to now is 149.0 secs Computing kpt #: 77 total cpu time spent up to now is 150.3 secs Computing kpt #: 78 total cpu time spent up to now is 151.6 secs Computing kpt #: 79 total cpu time spent up to now is 153.1 secs Computing kpt #: 80 total cpu time spent up to now is 154.4 secs Computing kpt #: 81 total cpu time spent up to now is 155.7 secs Computing kpt #: 82 total cpu time spent up to now is 157.0 secs Computing kpt #: 83 total cpu time spent up to now is 158.5 secs Computing kpt #: 84 total cpu time spent up to now is 159.8 secs Computing kpt #: 85 total cpu time spent up to now is 161.2 secs Computing kpt #: 86 total cpu time spent up to now is 162.4 secs Computing kpt #: 87 total cpu time spent up to now is 163.7 secs Computing kpt #: 88 total cpu time spent up to now is 165.0 secs Computing kpt #: 89 total cpu time spent up to now is 166.4 secs Computing kpt #: 90 total cpu time spent up to now is 167.7 secs Computing kpt #: 91 total cpu time spent up to now is 169.0 secs Computing kpt #: 92 total cpu time spent up to now is 170.5 secs Computing kpt #: 93 total cpu time spent up to now is 172.0 secs Computing kpt #: 94 total cpu time spent up to now is 173.2 secs Computing kpt #: 95 total cpu time spent up to now is 174.5 secs Computing kpt #: 96 total cpu time spent up to now is 175.8 secs Computing kpt #: 97 total cpu time spent up to now is 177.1 secs Computing kpt #: 98 total cpu time spent up to now is 178.3 secs Computing kpt #: 99 total cpu time spent up to now is 179.5 secs Computing kpt #: 100 total cpu time spent up to now is 180.8 secs Computing kpt #: 101 total cpu time spent up to now is 182.2 secs Computing kpt #: 102 total cpu time spent up to now is 183.4 secs Computing kpt #: 103 total cpu time spent up to now is 184.6 secs Computing kpt #: 104 total cpu time spent up to now is 185.8 secs Computing kpt #: 105 total cpu time spent up to now is 187.0 secs Computing kpt #: 106 total cpu time spent up to now is 188.3 secs Computing kpt #: 107 total cpu time spent up to now is 189.5 secs Computing kpt #: 108 total cpu time spent up to now is 190.8 secs Computing kpt #: 109 total cpu time spent up to now is 192.0 secs Computing kpt #: 110 total cpu time spent up to now is 193.1 secs Computing kpt #: 111 total cpu time spent up to now is 194.4 secs Computing kpt #: 112 total cpu time spent up to now is 195.6 secs Computing kpt #: 113 total cpu time spent up to now is 197.1 secs Computing kpt #: 114 total cpu time spent up to now is 198.3 secs Computing kpt #: 115 total cpu time spent up to now is 199.6 secs Computing kpt #: 116 total cpu time spent up to now is 200.8 secs Computing kpt #: 117 total cpu time spent up to now is 201.9 secs Computing kpt #: 118 total cpu time spent up to now is 203.1 secs Computing kpt #: 119 total cpu time spent up to now is 204.3 secs Computing kpt #: 120 total cpu time spent up to now is 205.5 secs Computing kpt #: 121 total cpu time spent up to now is 206.8 secs Computing kpt #: 122 total cpu time spent up to now is 208.0 secs Computing kpt #: 123 total cpu time spent up to now is 209.3 secs Computing kpt #: 124 total cpu time spent up to now is 210.4 secs Computing kpt #: 125 total cpu time spent up to now is 211.7 secs Computing kpt #: 126 total cpu time spent up to now is 212.9 secs Computing kpt #: 127 total cpu time spent up to now is 214.1 secs Computing kpt #: 128 total cpu time spent up to now is 215.1 secs Computing kpt #: 129 total cpu time spent up to now is 216.2 secs Computing kpt #: 130 total cpu time spent up to now is 217.1 secs Computing kpt #: 131 total cpu time spent up to now is 218.3 secs Computing kpt #: 132 total cpu time spent up to now is 219.3 secs Computing kpt #: 133 total cpu time spent up to now is 220.6 secs Computing kpt #: 134 total cpu time spent up to now is 221.6 secs Computing kpt #: 135 total cpu time spent up to now is 222.8 secs Computing kpt #: 136 total cpu time spent up to now is 223.9 secs Computing kpt #: 137 total cpu time spent up to now is 225.1 secs Computing kpt #: 138 total cpu time spent up to now is 226.1 secs Computing kpt #: 139 total cpu time spent up to now is 227.1 secs Computing kpt #: 140 total cpu time spent up to now is 228.3 secs Computing kpt #: 141 total cpu time spent up to now is 229.4 secs Computing kpt #: 142 total cpu time spent up to now is 231.0 secs Computing kpt #: 143 total cpu time spent up to now is 232.0 secs Computing kpt #: 144 total cpu time spent up to now is 233.3 secs Computing kpt #: 145 total cpu time spent up to now is 234.5 secs Computing kpt #: 146 total cpu time spent up to now is 235.6 secs Computing kpt #: 147 total cpu time spent up to now is 236.7 secs Computing kpt #: 148 total cpu time spent up to now is 237.8 secs Computing kpt #: 149 total cpu time spent up to now is 239.1 secs Computing kpt #: 150 total cpu time spent up to now is 240.2 secs Computing kpt #: 151 total cpu time spent up to now is 241.3 secs Computing kpt #: 152 total cpu time spent up to now is 242.7 secs Computing kpt #: 153 total cpu time spent up to now is 243.9 secs Computing kpt #: 154 total cpu time spent up to now is 245.2 secs Computing kpt #: 155 total cpu time spent up to now is 246.7 secs Computing kpt #: 156 total cpu time spent up to now is 248.2 secs Computing kpt #: 157 total cpu time spent up to now is 249.7 secs Computing kpt #: 158 total cpu time spent up to now is 251.3 secs Computing kpt #: 159 total cpu time spent up to now is 252.6 secs Computing kpt #: 160 total cpu time spent up to now is 253.9 secs Computing kpt #: 161 total cpu time spent up to now is 255.4 secs Computing kpt #: 162 total cpu time spent up to now is 257.0 secs Computing kpt #: 163 total cpu time spent up to now is 258.3 secs Computing kpt #: 164 total cpu time spent up to now is 260.2 secs Computing kpt #: 165 total cpu time spent up to now is 262.0 secs Computing kpt #: 166 total cpu time spent up to now is 263.8 secs Computing kpt #: 167 total cpu time spent up to now is 265.4 secs Computing kpt #: 168 total cpu time spent up to now is 267.1 secs Computing kpt #: 169 total cpu time spent up to now is 269.0 secs Computing kpt #: 170 total cpu time spent up to now is 270.9 secs Computing kpt #: 171 total cpu time spent up to now is 273.0 secs Computing kpt #: 172 total cpu time spent up to now is 274.9 secs Computing kpt #: 173 total cpu time spent up to now is 277.0 secs Computing kpt #: 174 total cpu time spent up to now is 279.1 secs Computing kpt #: 175 total cpu time spent up to now is 281.2 secs Computing kpt #: 176 total cpu time spent up to now is 283.2 secs Computing kpt #: 177 total cpu time spent up to now is 285.4 secs Computing kpt #: 178 total cpu time spent up to now is 287.4 secs Computing kpt #: 179 total cpu time spent up to now is 289.3 secs Computing kpt #: 180 total cpu time spent up to now is 290.9 secs Computing kpt #: 181 total cpu time spent up to now is 292.9 secs Computing kpt #: 182 total cpu time spent up to now is 295.0 secs Computing kpt #: 183 total cpu time spent up to now is 297.6 secs Computing kpt #: 184 total cpu time spent up to now is 299.6 secs Computing kpt #: 185 total cpu time spent up to now is 301.9 secs Computing kpt #: 186 total cpu time spent up to now is 304.1 secs Computing kpt #: 187 total cpu time spent up to now is 305.9 secs Computing kpt #: 188 total cpu time spent up to now is 307.9 secs Computing kpt #: 189 total cpu time spent up to now is 310.1 secs Computing kpt #: 190 total cpu time spent up to now is 311.7 secs Computing kpt #: 191 total cpu time spent up to now is 313.5 secs Computing kpt #: 192 total cpu time spent up to now is 315.5 secs Computing kpt #: 193 total cpu time spent up to now is 317.4 secs Computing kpt #: 194 total cpu time spent up to now is 319.7 secs Computing kpt #: 195 total cpu time spent up to now is 321.8 secs Computing kpt #: 196 total cpu time spent up to now is 323.8 secs Computing kpt #: 197 total cpu time spent up to now is 325.8 secs Computing kpt #: 198 total cpu time spent up to now is 327.8 secs Computing kpt #: 199 total cpu time spent up to now is 329.6 secs Computing kpt #: 200 total cpu time spent up to now is 331.6 secs Computing kpt #: 201 total cpu time spent up to now is 333.2 secs Computing kpt #: 202 total cpu time spent up to now is 335.2 secs Computing kpt #: 203 total cpu time spent up to now is 336.9 secs Computing kpt #: 204 total cpu time spent up to now is 338.6 secs Computing kpt #: 205 total cpu time spent up to now is 340.2 secs Computing kpt #: 206 total cpu time spent up to now is 341.7 secs Computing kpt #: 207 total cpu time spent up to now is 343.2 secs Computing kpt #: 208 total cpu time spent up to now is 344.7 secs Computing kpt #: 209 total cpu time spent up to now is 346.1 secs Computing kpt #: 210 total cpu time spent up to now is 347.5 secs Computing kpt #: 211 total cpu time spent up to now is 348.8 secs Computing kpt #: 212 total cpu time spent up to now is 350.1 secs Computing kpt #: 213 total cpu time spent up to now is 351.4 secs Computing kpt #: 214 total cpu time spent up to now is 352.7 secs Computing kpt #: 215 total cpu time spent up to now is 353.9 secs Computing kpt #: 216 total cpu time spent up to now is 355.0 secs Computing kpt #: 217 total cpu time spent up to now is 356.4 secs Computing kpt #: 218 total cpu time spent up to now is 357.6 secs Computing kpt #: 219 total cpu time spent up to now is 358.8 secs Computing kpt #: 220 total cpu time spent up to now is 359.9 secs Computing kpt #: 221 total cpu time spent up to now is 361.2 secs Computing kpt #: 222 total cpu time spent up to now is 362.5 secs Computing kpt #: 223 total cpu time spent up to now is 363.9 secs Computing kpt #: 224 total cpu time spent up to now is 365.4 secs Computing kpt #: 225 total cpu time spent up to now is 366.7 secs Computing kpt #: 226 total cpu time spent up to now is 367.9 secs Computing kpt #: 227 total cpu time spent up to now is 369.2 secs Computing kpt #: 228 total cpu time spent up to now is 370.5 secs Computing kpt #: 229 total cpu time spent up to now is 371.7 secs Computing kpt #: 230 total cpu time spent up to now is 373.0 secs Computing kpt #: 231 total cpu time spent up to now is 374.3 secs Computing kpt #: 232 total cpu time spent up to now is 375.5 secs Computing kpt #: 233 total cpu time spent up to now is 376.6 secs Computing kpt #: 234 total cpu time spent up to now is 377.7 secs Computing kpt #: 235 total cpu time spent up to now is 379.1 secs Computing kpt #: 236 total cpu time spent up to now is 380.4 secs Computing kpt #: 237 total cpu time spent up to now is 381.6 secs Computing kpt #: 238 total cpu time spent up to now is 382.7 secs Computing kpt #: 239 total cpu time spent up to now is 383.9 secs Computing kpt #: 240 total cpu time spent up to now is 385.3 secs Computing kpt #: 241 total cpu time spent up to now is 386.5 secs Computing kpt #: 242 total cpu time spent up to now is 387.7 secs Computing kpt #: 243 total cpu time spent up to now is 388.8 secs Computing kpt #: 244 total cpu time spent up to now is 389.9 secs Computing kpt #: 245 total cpu time spent up to now is 391.0 secs Computing kpt #: 246 total cpu time spent up to now is 392.3 secs Computing kpt #: 247 total cpu time spent up to now is 393.6 secs Computing kpt #: 248 total cpu time spent up to now is 394.8 secs Computing kpt #: 249 total cpu time spent up to now is 396.0 secs Computing kpt #: 250 total cpu time spent up to now is 397.1 secs Computing kpt #: 251 total cpu time spent up to now is 398.3 secs Computing kpt #: 252 total cpu time spent up to now is 399.5 secs Computing kpt #: 253 total cpu time spent up to now is 400.7 secs Computing kpt #: 254 total cpu time spent up to now is 402.0 secs Computing kpt #: 255 total cpu time spent up to now is 403.4 secs Computing kpt #: 256 total cpu time spent up to now is 404.6 secs Computing kpt #: 257 total cpu time spent up to now is 406.0 secs Computing kpt #: 258 total cpu time spent up to now is 407.4 secs Computing kpt #: 259 total cpu time spent up to now is 408.6 secs Computing kpt #: 260 total cpu time spent up to now is 409.9 secs Computing kpt #: 261 total cpu time spent up to now is 411.2 secs Computing kpt #: 262 total cpu time spent up to now is 412.4 secs Computing kpt #: 263 total cpu time spent up to now is 413.7 secs Computing kpt #: 264 total cpu time spent up to now is 415.0 secs Computing kpt #: 265 total cpu time spent up to now is 416.3 secs Computing kpt #: 266 total cpu time spent up to now is 417.6 secs Computing kpt #: 267 total cpu time spent up to now is 419.3 secs Computing kpt #: 268 total cpu time spent up to now is 421.1 secs Computing kpt #: 269 total cpu time spent up to now is 422.9 secs Computing kpt #: 270 total cpu time spent up to now is 424.8 secs Computing kpt #: 271 total cpu time spent up to now is 426.5 secs Computing kpt #: 272 total cpu time spent up to now is 428.4 secs Computing kpt #: 273 total cpu time spent up to now is 430.5 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.0 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.3 secs Computing kpt #: 276 total cpu time spent up to now is 440.1 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.4 secs Computing kpt #: 278 total cpu time spent up to now is 445.4 secs Computing kpt #: 279 total cpu time spent up to now is 447.6 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.8 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 453.9 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.3 secs Computing kpt #: 283 total cpu time spent up to now is 459.4 secs Computing kpt #: 284 total cpu time spent up to now is 461.4 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 464.6 secs Computing kpt #: 286 total cpu time spent up to now is 466.3 secs Computing kpt #: 287 total cpu time spent up to now is 468.1 secs Computing kpt #: 288 total cpu time spent up to now is 470.8 secs Computing kpt #: 289 total cpu time spent up to now is 472.5 secs Computing kpt #: 290 total cpu time spent up to now is 474.2 secs Computing kpt #: 291 total cpu time spent up to now is 475.9 secs Computing kpt #: 292 total cpu time spent up to now is 477.5 secs Computing kpt #: 293 total cpu time spent up to now is 478.8 secs Computing kpt #: 294 total cpu time spent up to now is 480.7 secs Computing kpt #: 295 total cpu time spent up to now is 482.4 secs Computing kpt #: 296 total cpu time spent up to now is 484.0 secs Computing kpt #: 297 total cpu time spent up to now is 485.3 secs Computing kpt #: 298 total cpu time spent up to now is 486.6 secs Computing kpt #: 299 total cpu time spent up to now is 488.2 secs Computing kpt #: 300 total cpu time spent up to now is 489.4 secs Computing kpt #: 301 total cpu time spent up to now is 491.0 secs Computing kpt #: 302 total cpu time spent up to now is 492.6 secs Computing kpt #: 303 total cpu time spent up to now is 493.8 secs Computing kpt #: 304 total cpu time spent up to now is 495.2 secs Computing kpt #: 305 total cpu time spent up to now is 496.4 secs Computing kpt #: 306 total cpu time spent up to now is 497.9 secs Computing kpt #: 307 total cpu time spent up to now is 499.1 secs Computing kpt #: 308 total cpu time spent up to now is 500.5 secs Computing kpt #: 309 total cpu time spent up to now is 502.0 secs Computing kpt #: 310 total cpu time spent up to now is 503.2 secs Computing kpt #: 311 total cpu time spent up to now is 504.3 secs Computing kpt #: 312 total cpu time spent up to now is 505.7 secs Computing kpt #: 313 total cpu time spent up to now is 506.9 secs Computing kpt #: 314 total cpu time spent up to now is 508.1 secs Computing kpt #: 315 total cpu time spent up to now is 509.2 secs Computing kpt #: 316 total cpu time spent up to now is 510.6 secs Computing kpt #: 317 total cpu time spent up to now is 511.7 secs Computing kpt #: 318 total cpu time spent up to now is 512.9 secs Computing kpt #: 319 total cpu time spent up to now is 514.0 secs Computing kpt #: 320 total cpu time spent up to now is 515.3 secs Computing kpt #: 321 total cpu time spent up to now is 516.5 secs Computing kpt #: 322 total cpu time spent up to now is 517.7 secs Computing kpt #: 323 total cpu time spent up to now is 518.7 secs Computing kpt #: 324 total cpu time spent up to now is 519.8 secs Computing kpt #: 325 total cpu time spent up to now is 520.9 secs Computing kpt #: 326 total cpu time spent up to now is 521.9 secs Computing kpt #: 327 total cpu time spent up to now is 523.0 secs Computing kpt #: 328 total cpu time spent up to now is 524.0 secs Computing kpt #: 329 total cpu time spent up to now is 525.1 secs Computing kpt #: 330 total cpu time spent up to now is 526.1 secs Computing kpt #: 331 total cpu time spent up to now is 527.1 secs Computing kpt #: 332 total cpu time spent up to now is 528.2 secs Computing kpt #: 333 total cpu time spent up to now is 529.2 secs Computing kpt #: 334 total cpu time spent up to now is 530.2 secs Computing kpt #: 335 total cpu time spent up to now is 531.2 secs Computing kpt #: 336 total cpu time spent up to now is 532.3 secs Computing kpt #: 337 total cpu time spent up to now is 533.3 secs Computing kpt #: 338 total cpu time spent up to now is 534.3 secs Computing kpt #: 339 total cpu time spent up to now is 535.4 secs Computing kpt #: 340 total cpu time spent up to now is 536.4 secs Computing kpt #: 341 total cpu time spent up to now is 537.4 secs Computing kpt #: 342 total cpu time spent up to now is 538.6 secs Computing kpt #: 343 total cpu time spent up to now is 539.6 secs Computing kpt #: 344 total cpu time spent up to now is 540.6 secs Computing kpt #: 345 total cpu time spent up to now is 541.8 secs Computing kpt #: 346 total cpu time spent up to now is 542.8 secs Computing kpt #: 347 total cpu time spent up to now is 543.9 secs Computing kpt #: 348 total cpu time spent up to now is 545.0 secs Computing kpt #: 349 total cpu time spent up to now is 546.2 secs Computing kpt #: 350 total cpu time spent up to now is 547.6 secs Computing kpt #: 351 total cpu time spent up to now is 548.7 secs Computing kpt #: 352 total cpu time spent up to now is 550.0 secs Computing kpt #: 353 total cpu time spent up to now is 551.5 secs Computing kpt #: 354 total cpu time spent up to now is 552.8 secs Computing kpt #: 355 total cpu time spent up to now is 554.4 secs Computing kpt #: 356 total cpu time spent up to now is 555.9 secs Computing kpt #: 357 total cpu time spent up to now is 557.4 secs Computing kpt #: 358 total cpu time spent up to now is 559.0 secs Computing kpt #: 359 total cpu time spent up to now is 560.8 secs Computing kpt #: 360 total cpu time spent up to now is 562.8 secs Computing kpt #: 361 total cpu time spent up to now is 564.8 secs Computing kpt #: 362 total cpu time spent up to now is 566.7 secs Computing kpt #: 363 total cpu time spent up to now is 568.7 secs Computing kpt #: 364 total cpu time spent up to now is 570.9 secs Computing kpt #: 365 total cpu time spent up to now is 573.1 secs Computing kpt #: 366 total cpu time spent up to now is 575.5 secs Computing kpt #: 367 total cpu time spent up to now is 577.9 secs Computing kpt #: 368 total cpu time spent up to now is 580.5 secs Computing kpt #: 369 total cpu time spent up to now is 583.6 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.7 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.9 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.3 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.5 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.2 secs Computing kpt #: 375 total cpu time spent up to now is 603.6 secs Computing kpt #: 376 total cpu time spent up to now is 605.6 secs Computing kpt #: 377 total cpu time spent up to now is 607.7 secs Computing kpt #: 378 total cpu time spent up to now is 610.0 secs Computing kpt #: 379 total cpu time spent up to now is 611.6 secs Computing kpt #: 380 total cpu time spent up to now is 613.5 secs Computing kpt #: 381 total cpu time spent up to now is 614.8 secs Computing kpt #: 382 total cpu time spent up to now is 616.6 secs Computing kpt #: 383 total cpu time spent up to now is 618.9 secs Computing kpt #: 384 total cpu time spent up to now is 621.0 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.2 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.5 secs Computing kpt #: 387 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 630.5 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.6 secs Computing kpt #: 389 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.8 secs Computing kpt #: 390 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 639.9 secs Computing kpt #: 391 total cpu time spent up to now is 643.0 secs Computing kpt #: 392 total cpu time spent up to now is 645.5 secs Computing kpt #: 393 total cpu time spent up to now is 647.9 secs Computing kpt #: 394 total cpu time spent up to now is 650.2 secs Computing kpt #: 395 total cpu time spent up to now is 652.3 secs Computing kpt #: 396 total cpu time spent up to now is 654.3 secs Computing kpt #: 397 total cpu time spent up to now is 656.3 secs Computing kpt #: 398 total cpu time spent up to now is 658.3 secs Computing kpt #: 399 total cpu time spent up to now is 660.2 secs Computing kpt #: 400 total cpu time spent up to now is 661.8 secs Computing kpt #: 401 total cpu time spent up to now is 663.4 secs Computing kpt #: 402 total cpu time spent up to now is 665.0 secs Computing kpt #: 403 total cpu time spent up to now is 666.6 secs Computing kpt #: 404 total cpu time spent up to now is 667.8 secs Computing kpt #: 405 total cpu time spent up to now is 669.2 secs Computing kpt #: 406 total cpu time spent up to now is 670.5 secs Computing kpt #: 407 total cpu time spent up to now is 671.7 secs Computing kpt #: 408 total cpu time spent up to now is 672.9 secs Computing kpt #: 409 total cpu time spent up to now is 674.1 secs Computing kpt #: 410 total cpu time spent up to now is 675.3 secs Computing kpt #: 411 total cpu time spent up to now is 676.4 secs Computing kpt #: 412 total cpu time spent up to now is 677.6 secs Computing kpt #: 413 total cpu time spent up to now is 678.6 secs Computing kpt #: 414 total cpu time spent up to now is 679.8 secs Computing kpt #: 415 total cpu time spent up to now is 680.8 secs Computing kpt #: 416 total cpu time spent up to now is 681.8 secs Computing kpt #: 417 total cpu time spent up to now is 683.0 secs Computing kpt #: 418 total cpu time spent up to now is 684.0 secs Computing kpt #: 419 total cpu time spent up to now is 685.1 secs Computing kpt #: 420 total cpu time spent up to now is 686.2 secs Computing kpt #: 421 total cpu time spent up to now is 687.2 secs Computing kpt #: 422 total cpu time spent up to now is 688.3 secs Computing kpt #: 423 total cpu time spent up to now is 689.4 secs Computing kpt #: 424 total cpu time spent up to now is 690.7 secs Computing kpt #: 425 total cpu time spent up to now is 691.9 secs Computing kpt #: 426 total cpu time spent up to now is 693.1 secs Computing kpt #: 427 total cpu time spent up to now is 694.3 secs Computing kpt #: 428 total cpu time spent up to now is 695.5 secs Computing kpt #: 429 total cpu time spent up to now is 696.7 secs Computing kpt #: 430 total cpu time spent up to now is 697.9 secs Computing kpt #: 431 total cpu time spent up to now is 699.3 secs Computing kpt #: 432 total cpu time spent up to now is 700.5 secs Computing kpt #: 433 total cpu time spent up to now is 701.6 secs Computing kpt #: 434 total cpu time spent up to now is 703.0 secs Computing kpt #: 435 total cpu time spent up to now is 704.2 secs Computing kpt #: 436 total cpu time spent up to now is 705.4 secs Computing kpt #: 437 total cpu time spent up to now is 706.5 secs Computing kpt #: 438 total cpu time spent up to now is 707.7 secs Computing kpt #: 439 total cpu time spent up to now is 709.1 secs Computing kpt #: 440 total cpu time spent up to now is 710.3 secs Computing kpt #: 441 total cpu time spent up to now is 711.5 secs Computing kpt #: 442 total cpu time spent up to now is 712.7 secs Computing kpt #: 443 total cpu time spent up to now is 714.0 secs Computing kpt #: 444 total cpu time spent up to now is 715.2 secs Computing kpt #: 445 total cpu time spent up to now is 716.5 secs Computing kpt #: 446 total cpu time spent up to now is 717.7 secs Computing kpt #: 447 total cpu time spent up to now is 718.9 secs Computing kpt #: 448 total cpu time spent up to now is 720.4 secs Computing kpt #: 449 total cpu time spent up to now is 721.8 secs Computing kpt #: 450 total cpu time spent up to now is 723.0 secs Computing kpt #: 451 total cpu time spent up to now is 724.3 secs Computing kpt #: 452 total cpu time spent up to now is 725.6 secs Computing kpt #: 453 total cpu time spent up to now is 727.0 secs Computing kpt #: 454 total cpu time spent up to now is 728.5 secs Computing kpt #: 455 total cpu time spent up to now is 730.1 secs Computing kpt #: 456 total cpu time spent up to now is 731.7 secs Computing kpt #: 457 total cpu time spent up to now is 733.3 secs Computing kpt #: 458 total cpu time spent up to now is 734.9 secs Computing kpt #: 459 total cpu time spent up to now is 736.5 secs Computing kpt #: 460 total cpu time spent up to now is 738.1 secs Computing kpt #: 461 total cpu time spent up to now is 740.0 secs Computing kpt #: 462 total cpu time spent up to now is 741.7 secs Computing kpt #: 463 total cpu time spent up to now is 743.7 secs Computing kpt #: 464 total cpu time spent up to now is 745.8 secs Computing kpt #: 465 total cpu time spent up to now is 747.7 secs Computing kpt #: 466 total cpu time spent up to now is 749.6 secs Computing kpt #: 467 total cpu time spent up to now is 751.6 secs Computing kpt #: 468 total cpu time spent up to now is 753.6 secs Computing kpt #: 469 total cpu time spent up to now is 755.3 secs Computing kpt #: 470 total cpu time spent up to now is 757.4 secs Computing kpt #: 471 total cpu time spent up to now is 759.4 secs Computing kpt #: 472 total cpu time spent up to now is 761.3 secs Computing kpt #: 473 total cpu time spent up to now is 763.3 secs Computing kpt #: 474 total cpu time spent up to now is 765.1 secs Computing kpt #: 475 total cpu time spent up to now is 767.0 secs Computing kpt #: 476 total cpu time spent up to now is 768.8 secs Computing kpt #: 477 total cpu time spent up to now is 770.7 secs Computing kpt #: 478 total cpu time spent up to now is 772.2 secs ethr = 2.50E-11, avg # of iterations = 37.2 total cpu time spent up to now is 772.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2665 PWs) bands (ev): -45.6489 -45.6489 -22.3419 -22.3419 -21.6859 -21.6859 -21.6838 -21.6838 -13.8742 -13.8742 -6.1552 -6.1552 -5.4946 -5.4946 -5.4740 -5.4740 -0.4101 -0.4101 1.4778 1.4778 1.4855 1.4855 8.3424 8.3424 8.5664 8.5664 8.6120 8.6120 9.5452 9.5452 9.5707 9.5707 9.6069 9.6069 10.4500 10.4500 10.6071 10.6071 10.6637 10.6637 12.7131 12.7131 12.7433 12.7433 12.9430 12.9430 15.0178 15.0180 k = 0.0089 0.0089-0.0000 ( 2659 PWs) bands (ev): -45.6489 -45.6489 -22.3420 -22.3419 -21.6860 -21.6858 -21.6839 -21.6839 -13.8740 -13.8740 -6.1554 -6.1551 -5.4946 -5.4945 -5.4742 -5.4737 -0.4100 -0.4094 1.4780 1.4789 1.4858 1.4861 8.3411 8.3414 8.5646 8.5654 8.6102 8.6103 9.5452 9.5452 9.5688 9.5690 9.6033 9.6039 10.4380 10.4586 10.5943 10.6154 10.6618 10.6627 12.7102 12.7176 12.7425 12.7499 12.9433 12.9456 15.0191 15.0192 k = 0.0178 0.0179-0.0000 ( 2651 PWs) bands (ev): -45.6489 -45.6489 -22.3421 -22.3419 -21.6861 -21.6859 -21.6839 -21.6839 -13.8733 -13.8733 -6.1558 -6.1552 -5.4947 -5.4946 -5.4740 -5.4731 -0.4091 -0.4080 1.4791 1.4808 1.4869 1.4875 8.3374 8.3381 8.5597 8.5617 8.6051 8.6053 9.5450 9.5452 9.5631 9.5635 9.5933 9.5942 10.4224 10.4636 10.5772 10.6193 10.6570 10.6588 12.7102 12.7224 12.7487 12.7610 12.9468 12.9514 15.0230 15.0232 k = 0.0267 0.0268-0.0000 ( 2655 PWs) bands (ev): -45.6489 -45.6489 -22.3423 -22.3420 -21.6864 -21.6860 -21.6840 -21.6840 -13.8723 -13.8723 -6.1564 -6.1554 -5.4947 -5.4947 -5.4736 -5.4723 -0.4073 -0.4057 1.4807 1.4830 1.4896 1.4901 8.3313 8.3324 8.5511 8.5549 8.5970 8.5978 9.5438 9.5446 9.5542 9.5549 9.5776 9.5785 10.4034 10.4647 10.5558 10.6188 10.6493 10.6521 12.7133 12.7279 12.7615 12.7762 12.9534 12.9602 15.0295 15.0298 k = 0.0357 0.0357-0.0000 ( 2655 PWs) bands (ev): -45.6489 -45.6489 -22.3425 -22.3421 -21.6868 -21.6862 -21.6842 -21.6841 -13.8708 -13.8708 -6.1571 -6.1558 -5.4948 -5.4947 -5.4730 -5.4713 -0.4048 -0.4026 1.4825 1.4849 1.4945 1.4945 8.3224 8.3242 8.5382 8.5446 8.5867 8.5887 9.5368 9.5381 9.5450 9.5456 9.5592 9.5593 10.3807 10.4612 10.5310 10.6137 10.6392 10.6427 12.7199 12.7354 12.7794 12.7950 12.9632 12.9721 15.0386 15.0390 k = 0.0446 0.0446-0.0000 ( 2655 PWs) bands (ev): -45.6489 -45.6489 -22.3428 -22.3423 -21.6873 -21.6865 -21.6843 -21.6842 -13.8689 -13.8689 -6.1579 -6.1563 -5.4949 -5.4946 -5.4721 -5.4702 -0.4015 -0.3988 1.4843 1.4865 1.5006 1.5014 8.3108 8.3135 8.5204 8.5300 8.5751 8.5787 9.5185 9.5203 9.5272 9.5281 9.5513 9.5520 10.3543 10.4513 10.5045 10.6039 10.6270 10.6307 12.7299 12.7458 12.8012 12.8172 12.9764 12.9872 15.0500 15.0505 k = 0.0535 0.0536-0.0000 ( 2651 PWs) bands (ev): -45.6489 -45.6489 -22.3431 -22.3425 -21.6878 -21.6869 -21.6845 -21.6843 -13.8666 -13.8666 -6.1589 -6.1570 -5.4950 -5.4944 -5.4709 -5.4689 -0.3976 -0.3944 1.4861 1.4882 1.5084 1.5098 8.2960 8.3001 8.4975 8.5109 8.5631 8.5681 9.4897 9.4911 9.5052 9.5065 9.5512 9.5517 10.3242 10.4307 10.4808 10.5894 10.6132 10.6163 12.7433 12.7593 12.8266 12.8427 12.9930 13.0055 15.0638 15.0643 k = 0.0624 0.0625-0.0000 ( 2653 PWs) bands (ev): -45.6488 -45.6488 -22.3435 -22.3428 -21.6885 -21.6874 -21.6848 -21.6845 -13.8639 -13.8639 -6.1601 -6.1579 -5.4950 -5.4940 -5.4695 -5.4675 -0.3930 -0.3893 1.4880 1.4901 1.5177 1.5196 8.2777 8.2836 8.4699 8.4874 8.5507 8.5571 9.4547 9.4547 9.4820 9.4833 9.5522 9.5526 10.2903 10.3976 10.4621 10.5705 10.5977 10.5995 12.7599 12.7758 12.8553 12.8713 13.0130 13.0270 15.0796 15.0802 k = 0.0713 0.0714-0.0000 ( 2653 PWs) bands (ev): -45.6488 -45.6488 -22.3440 -22.3432 -21.6892 -21.6879 -21.6851 -21.6847 -13.8609 -13.8608 -6.1614 -6.1589 -5.4949 -5.4934 -5.4679 -5.4659 -0.3878 -0.3836 1.4900 1.4922 1.5282 1.5307 8.2557 8.2638 8.4384 8.4601 8.5381 8.5455 9.4144 9.4159 9.4562 9.4575 9.5539 9.5541 10.2526 10.3553 10.4454 10.5480 10.5803 10.5806 12.7797 12.7955 12.8868 12.9027 13.0364 13.0517 15.0974 15.0980 k = 0.0802 0.0804-0.0000 ( 2653 PWs) bands (ev): -45.6488 -45.6488 -22.3445 -22.3435 -21.6901 -21.6886 -21.6853 -21.6849 -13.8574 -13.8574 -6.1628 -6.1600 -5.4946 -5.4926 -5.4660 -5.4642 -0.3820 -0.3775 1.4923 1.4945 1.5400 1.5428 8.2297 8.2405 8.4034 8.4298 8.5250 8.5333 9.3710 9.3743 9.4279 9.4292 9.5560 9.5560 10.2113 10.3070 10.4281 10.5226 10.5596 10.5612 12.8025 12.8180 12.9210 12.9366 13.0631 13.0795 15.1169 15.1175 k = 0.0891 0.0893-0.0000 ( 2648 PWs) bands (ev): -45.6487 -45.6487 -22.3450 -22.3439 -21.6910 -21.6893 -21.6856 -21.6851 -13.8537 -13.8536 -6.1643 -6.1612 -5.4942 -5.4916 -5.4638 -5.4623 -0.3758 -0.3709 1.4948 1.4971 1.5528 1.5560 8.1995 8.2131 8.3658 8.3968 8.5114 8.5205 9.3253 9.3306 9.3972 9.3985 9.5584 9.5585 10.1664 10.2541 10.4094 10.4947 10.5369 10.5403 12.8281 12.8434 12.9576 12.9730 13.0931 13.1104 15.1379 15.1386 k = 0.0981 0.0982-0.0000 ( 2648 PWs) bands (ev): -45.6487 -45.6487 -22.3455 -22.3444 -21.6919 -21.6901 -21.6859 -21.6854 -13.8495 -13.8495 -6.1658 -6.1625 -5.4937 -5.4903 -5.4614 -5.4603 -0.3692 -0.3639 1.4975 1.4999 1.5664 1.5700 8.1648 8.1813 8.3261 8.3618 8.4974 8.5071 9.2777 9.2854 9.3643 9.3657 9.5612 9.5615 10.1182 10.1973 10.3893 10.4650 10.5126 10.5179 12.8564 12.8715 12.9963 13.0115 13.1262 13.1442 15.1604 15.1610 k = 0.1070 0.1071-0.0000 ( 2644 PWs) bands (ev): -45.6487 -45.6487 -22.3461 -22.3449 -21.6930 -21.6910 -21.6862 -21.6856 -13.8451 -13.8451 -6.1675 -6.1638 -5.4929 -5.4888 -5.4587 -5.4580 -0.3623 -0.3567 1.5004 1.5029 1.5808 1.5846 8.1259 8.1449 8.2851 8.3248 8.4830 8.4933 9.2288 9.2389 9.3295 9.3309 9.5644 9.5650 10.0669 10.1373 10.3679 10.4338 10.4872 10.4944 12.8872 12.9020 13.0370 13.0519 13.1621 13.1807 15.1840 15.1846 k = 0.1159 0.1161-0.0000 ( 2648 PWs) bands (ev): -45.6486 -45.6486 -22.3468 -22.3455 -21.6941 -21.6919 -21.6866 -21.6859 -13.8404 -13.8403 -6.1691 -6.1652 -5.4920 -5.4871 -5.4557 -5.4554 -0.3552 -0.3492 1.5034 1.5061 1.5957 1.5997 8.0831 8.1039 8.2431 8.2860 8.4683 8.4789 9.1788 9.1915 9.2930 9.2945 9.5680 9.5690 10.0128 10.0747 10.3452 10.4014 10.4609 10.4702 12.9204 12.9349 13.0794 13.0940 13.2007 13.2196 15.2085 15.2092 k = 0.1248 0.1250-0.0000 ( 2652 PWs) bands (ev): -45.6486 -45.6486 -22.3475 -22.3461 -21.6953 -21.6930 -21.6870 -21.6862 -13.8354 -13.8353 -6.1707 -6.1666 -5.4909 -5.4852 -5.4526 -5.4524 -0.3479 -0.3416 1.5067 1.5096 1.6109 1.6152 8.0366 8.0585 8.2004 8.2454 8.4534 8.4643 9.1281 9.1434 9.2550 9.2565 9.5720 9.5735 9.9565 10.0100 10.3214 10.3683 10.4343 10.4457 12.9557 12.9700 13.1233 13.1375 13.2417 13.2609 15.2339 15.2345 k = 0.1337 0.1339-0.0000 ( 2654 PWs) bands (ev): -45.6485 -45.6485 -22.3482 -22.3467 -21.6966 -21.6941 -21.6873 -21.6865 -13.8301 -13.8301 -6.1723 -6.1680 -5.4897 -5.4831 -5.4495 -5.4488 -0.3404 -0.3340 1.5102 1.5132 1.6264 1.6308 7.9870 8.0092 8.1569 8.2031 8.4383 8.4493 9.0767 9.0946 9.2158 9.2174 9.5763 9.5784 9.8982 9.9439 10.2965 10.3344 10.4079 10.4214 12.9931 13.0071 13.1683 13.1823 13.2849 13.3041 15.2599 15.2605 k = 0.1426 0.1429-0.0000 ( 2662 PWs) bands (ev): -45.6485 -45.6485 -22.3490 -22.3475 -21.6979 -21.6953 -21.6877 -21.6869 -13.8246 -13.8246 -6.1738 -6.1692 -5.4883 -5.4809 -5.4460 -5.4448 -0.3329 -0.3263 1.5138 1.5169 1.6419 1.6463 7.9349 7.9567 8.1126 8.1590 8.4230 8.4342 9.0249 9.0452 9.1756 9.1771 9.5809 9.5836 9.8389 9.8773 10.2702 10.3000 10.3826 10.3979 13.0323 13.0460 13.2144 13.2281 13.3299 13.3492 15.2864 15.2870 k = 0.1515 0.1518-0.0000 ( 2662 PWs) bands (ev): -45.6484 -45.6484 -22.3498 -22.3482 -21.6993 -21.6965 -21.6881 -21.6872 -13.8189 -13.8189 -6.1750 -6.1703 -5.4868 -5.4786 -5.4421 -5.4404 -0.3255 -0.3187 1.5176 1.5209 1.6571 1.6617 7.8807 7.9017 8.0672 8.1132 8.4075 8.4188 8.9725 8.9952 9.1346 9.1361 9.5853 9.5888 9.7793 9.8111 10.2423 10.2650 10.3590 10.3756 13.0732 13.0866 13.2613 13.2747 13.3766 13.3958 15.3132 15.3137 k = 0.1605 0.1607-0.0000 ( 2670 PWs) bands (ev): -45.6484 -45.6484 -22.3506 -22.3489 -21.7007 -21.6978 -21.6885 -21.6876 -13.8130 -13.8130 -6.1761 -6.1712 -5.4852 -5.4763 -5.4378 -5.4357 -0.3181 -0.3113 1.5215 1.5249 1.6720 1.6766 7.8251 7.8450 8.0207 8.0656 8.3919 8.4032 8.9196 8.9442 9.0929 9.0944 9.5888 9.5932 9.7211 9.7468 10.2124 10.2292 10.3379 10.3552 13.1156 13.1288 13.3088 13.3219 13.4248 13.4438 15.3401 15.3406 k = 0.1694 0.1696-0.0000 ( 2678 PWs) bands (ev): -45.6483 -45.6483 -22.3515 -22.3498 -21.7022 -21.6992 -21.6890 -21.6881 -13.8070 -13.8069 -6.1768 -6.1718 -5.4835 -5.4741 -5.4331 -5.4307 -0.3109 -0.3040 1.5255 1.5291 1.6864 1.6908 7.7684 7.7870 7.9729 8.0165 8.3761 8.3875 8.8659 8.8922 9.0508 9.0523 9.5885 9.5931 9.6686 9.6883 10.1806 10.1927 10.3197 10.3369 13.1594 13.1723 13.3568 13.3696 13.4742 13.4930 15.3671 15.3676 k = 0.1783 0.1786-0.0000 ( 2678 PWs) bands (ev): -45.6483 -45.6483 -22.3524 -22.3506 -21.7037 -21.7006 -21.6894 -21.6884 -13.8008 -13.8007 -6.1772 -6.1720 -5.4818 -5.4718 -5.4281 -5.4253 -0.3039 -0.2970 1.5296 1.5333 1.7000 1.7044 7.7111 7.7285 7.9241 7.9659 8.3602 8.3717 8.8113 8.8389 9.0085 9.0099 9.5729 9.5729 9.6383 9.6477 10.1468 10.1554 10.3047 10.3211 13.2044 13.2170 13.4050 13.4175 13.5246 13.5431 15.3940 15.3944 k = 0.1872 0.1875-0.0000 ( 2676 PWs) bands (ev): -45.6482 -45.6482 -22.3532 -22.3514 -21.7052 -21.7020 -21.6898 -21.6888 -13.7945 -13.7944 -6.1772 -6.1718 -5.4800 -5.4696 -5.4226 -5.4197 -0.2971 -0.2902 1.5337 1.5376 1.7128 1.7170 7.6537 7.6697 7.8741 7.9141 8.3440 8.3559 8.7557 8.7840 8.9659 8.9674 9.5281 9.5317 9.6354 9.6362 10.1113 10.1174 10.2930 10.3080 13.2504 13.2628 13.4532 13.4655 13.5758 13.5940 15.4207 15.4210 k = 0.1961 0.1964-0.0000 ( 2676 PWs) bands (ev): -45.6482 -45.6482 -22.3541 -22.3522 -21.7067 -21.7035 -21.6902 -21.6892 -13.7881 -13.7881 -6.1767 -6.1712 -5.4782 -5.4675 -5.4168 -5.4138 -0.2906 -0.2838 1.5379 1.5420 1.7245 1.7285 7.5963 7.6111 7.8232 7.8612 8.3277 8.3399 8.6987 8.7272 8.9235 8.9249 9.4785 9.4814 9.6382 9.6410 10.0743 10.0786 10.2844 10.2977 13.2973 13.3095 13.5014 13.5135 13.6277 13.6456 15.4470 15.4473 k = 0.2050 0.2054-0.0000 ( 2676 PWs) bands (ev): -45.6481 -45.6481 -22.3550 -22.3531 -21.7083 -21.7050 -21.6907 -21.6896 -13.7816 -13.7816 -6.1757 -6.1701 -5.4764 -5.4654 -5.4108 -5.4077 -0.2845 -0.2778 1.5421 1.5462 1.7352 1.7389 7.5393 7.5531 7.7715 7.8075 8.3111 8.3238 8.6403 8.6682 8.8811 8.8825 9.4310 9.4322 9.6442 9.6490 10.0361 10.0391 10.2788 10.2903 13.3450 13.3569 13.5494 13.5612 13.6800 13.6975 15.4730 15.4732 k = 0.2139 0.2143-0.0000 ( 2672 PWs) bands (ev): -45.6480 -45.6480 -22.3559 -22.3540 -21.7099 -21.7065 -21.6911 -21.6900 -13.7751 -13.7751 -6.1740 -6.1683 -5.4745 -5.4634 -5.4046 -5.4015 -0.2787 -0.2722 1.5461 1.5504 1.7446 1.7480 7.4830 7.4957 7.7192 7.7530 8.2942 8.3077 8.5804 8.6069 8.8391 8.8404 9.3872 9.3875 9.6517 9.6581 9.9971 9.9992 10.2760 10.2857 13.3933 13.4049 13.5970 13.6086 13.7327 13.7498 15.4984 15.4986 k = 0.2229 0.2232-0.0000 ( 2672 PWs) bands (ev): -45.6480 -45.6480 -22.3569 -22.3548 -21.7114 -21.7081 -21.6915 -21.6904 -13.7686 -13.7686 -6.1717 -6.1659 -5.4727 -5.4614 -5.3983 -5.3952 -0.2734 -0.2670 1.5501 1.5545 1.7527 1.7558 7.4274 7.4393 7.6664 7.6982 8.2768 8.2916 8.5190 8.5432 8.7974 8.7988 9.3478 9.3490 9.6599 9.6679 9.9574 9.9588 10.2760 10.2838 13.4420 13.4534 13.6441 13.6556 13.7856 13.8023 15.5233 15.5234 k = 0.2318 0.2321-0.0000 ( 2664 PWs) bands (ev): -45.6479 -45.6479 -22.3577 -22.3557 -21.7130 -21.7096 -21.6919 -21.6908 -13.7621 -13.7621 -6.1687 -6.1628 -5.4708 -5.4595 -5.3920 -5.3889 -0.2684 -0.2623 1.5538 1.5584 1.7596 1.7623 7.3729 7.3839 7.6133 7.6430 8.2585 8.2755 8.4566 8.4772 8.7562 8.7576 9.3145 9.3162 9.6687 9.6780 9.9174 9.9183 10.2786 10.2845 13.4910 13.5023 13.6907 13.7019 13.8386 13.8547 15.5475 15.5476 k = 0.2407 0.2411-0.0000 ( 2668 PWs) bands (ev): -45.6478 -45.6478 -22.3587 -22.3567 -21.7146 -21.7112 -21.6923 -21.6912 -13.7557 -13.7556 -6.1649 -6.1589 -5.4690 -5.4576 -5.3857 -5.3828 -0.2640 -0.2581 1.5573 1.5620 1.7652 1.7675 7.3195 7.3298 7.5601 7.5878 8.2386 8.2593 8.3940 8.4090 8.7156 8.7170 9.2877 9.2894 9.6776 9.6884 9.8773 9.8778 10.2835 10.2876 13.5401 13.5512 13.7365 13.7475 13.8914 13.9071 15.5710 15.5711 k = 0.2496 0.2500-0.0000 ( 2674 PWs) bands (ev): -45.6478 -45.6478 -22.3597 -22.3576 -21.7163 -21.7128 -21.6928 -21.6917 -13.7492 -13.7492 -6.1603 -6.1543 -5.4671 -5.4558 -5.3795 -5.3767 -0.2600 -0.2544 1.5605 1.5652 1.7695 1.7714 7.2673 7.2770 7.5070 7.5327 8.2151 8.2431 8.3336 8.3392 8.6757 8.6771 9.2675 9.2689 9.6864 9.6987 9.8375 9.8376 10.2907 10.2931 13.5893 13.6002 13.7815 13.7924 13.9440 13.9592 15.5938 15.5938 k = 0.2585 0.2589-0.0000 ( 2670 PWs) bands (ev): -45.6477 -45.6477 -22.3606 -22.3585 -21.7178 -21.7143 -21.6932 -21.6921 -13.7429 -13.7429 -6.1548 -6.1488 -5.4653 -5.4541 -5.3735 -5.3709 -0.2565 -0.2512 1.5632 1.5679 1.7727 1.7742 7.2164 7.2256 7.4541 7.4778 8.1833 8.2263 8.2686 8.2802 8.6366 8.6380 9.2540 9.2547 9.6945 9.7083 9.7984 9.7987 10.2999 10.3008 13.6384 13.6491 13.8256 13.8363 13.9962 14.0109 15.6158 15.6158 k = 0.2674 0.2679-0.0000 ( 2670 PWs) bands (ev): -45.6476 -45.6476 -22.3615 -22.3594 -21.7194 -21.7159 -21.6936 -21.6925 -13.7367 -13.7366 -6.1485 -6.1424 -5.4634 -5.4523 -5.3679 -5.3654 -0.2534 -0.2486 1.5655 1.5701 1.7749 1.7760 7.1668 7.1756 7.4017 7.4235 8.1372 8.1913 8.2152 8.2403 8.5983 8.5998 9.2467 9.2469 9.6997 9.7142 9.7631 9.7634 10.3104 10.3110 13.6871 13.6977 13.8686 13.8793 14.0479 14.0622 15.6369 15.6370 k = 0.2763 0.2768-0.0000 ( 2666 PWs) bands (ev): -45.6476 -45.6476 -22.3624 -22.3603 -21.7209 -21.7175 -21.6940 -21.6929 -13.7305 -13.7305 -6.1413 -6.1352 -5.4616 -5.4507 -5.3626 -5.3603 -0.2509 -0.2464 1.5670 1.5716 1.7763 1.7769 7.1187 7.1271 7.3499 7.3698 8.0785 8.1204 8.1974 8.2127 8.5609 8.5624 9.2448 9.2460 9.6922 9.7013 9.7407 9.7479 10.3218 10.3237 13.7355 13.7459 13.9107 13.9212 14.0990 14.1128 15.6571 15.6573 k = 0.2853 0.2857-0.0000 ( 2666 PWs) bands (ev): -45.6475 -45.6475 -22.3633 -22.3613 -21.7224 -21.7190 -21.6944 -21.6933 -13.7245 -13.7245 -6.1331 -6.1270 -5.4598 -5.4490 -5.3577 -5.3556 -0.2489 -0.2448 1.5678 1.5723 1.7769 1.7772 7.0720 7.0801 7.2989 7.3170 8.0134 8.0475 8.1816 8.1915 8.5245 8.5260 9.2486 9.2510 9.6640 9.6680 9.7397 9.7533 10.3348 10.3380 13.7833 13.7936 13.9515 13.9619 14.1493 14.1626 15.6765 15.6767 k = 0.2942 0.2946-0.0000 ( 2670 PWs) bands (ev): -45.6475 -45.6475 -22.3642 -22.3622 -21.7240 -21.7206 -21.6948 -21.6937 -13.7187 -13.7187 -6.1241 -6.1180 -5.4581 -5.4474 -5.3534 -5.3515 -0.2474 -0.2437 1.5678 1.5720 1.7771 1.7771 7.0267 7.0345 7.2489 7.2652 7.9459 7.9746 8.1663 8.1732 8.4891 8.4906 9.2579 9.2616 9.6284 9.6309 9.7467 9.7633 10.3493 10.3536 13.8305 13.8407 13.9912 14.0015 14.1987 14.2115 15.6950 15.6952 k = 0.3031 0.3036-0.0000 ( 2670 PWs) bands (ev): -45.6474 -45.6474 -22.3651 -22.3631 -21.7254 -21.7221 -21.6951 -21.6941 -13.7130 -13.7130 -6.1141 -6.1080 -5.4563 -5.4459 -5.3497 -5.3480 -0.2463 -0.2431 1.5668 1.5707 1.7768 1.7770 6.9830 6.9904 7.2000 7.2145 7.8776 7.9022 8.1514 8.1565 8.4547 8.4563 9.2723 9.2774 9.5916 9.5934 9.7557 9.7745 10.3649 10.3703 13.8768 13.8869 14.0295 14.0398 14.2471 14.2594 15.7125 15.7128 k = 0.3120 0.3125-0.0000 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3659 -22.3640 -21.7269 -21.7236 -21.6955 -21.6945 -13.7075 -13.7075 -6.1033 -6.0972 -5.4546 -5.4444 -5.3466 -5.3451 -0.2457 -0.2429 1.5648 1.5682 1.7765 1.7768 6.9407 6.9478 7.1525 7.1653 7.8095 7.8308 8.1368 8.1408 8.4214 8.4231 9.2913 9.2979 9.5551 9.5566 9.7654 9.7860 10.3817 10.3879 13.9222 13.9322 14.0665 14.0767 14.2943 14.3061 15.7292 15.7295 k = 0.3209 0.3214-0.0000 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3667 -22.3648 -21.7283 -21.7250 -21.6958 -21.6948 -13.7022 -13.7022 -6.0916 -6.0856 -5.4530 -5.4429 -5.3443 -5.3429 -0.2456 -0.2432 1.5616 1.5646 1.7764 1.7768 6.8998 6.9065 7.1067 7.1177 7.7422 7.7607 8.1226 8.1259 8.3893 8.3910 9.3145 9.3228 9.5192 9.5205 9.7753 9.7978 10.3992 10.4063 13.9664 13.9764 14.1022 14.1123 14.3402 14.3515 15.7449 15.7452 k = 0.3298 0.3304-0.0000 ( 2678 PWs) bands (ev): -45.6472 -45.6472 -22.3676 -22.3657 -21.7296 -21.7265 -21.6962 -21.6953 -13.6971 -13.6971 -6.0791 -6.0731 -5.4513 -5.4416 -5.3427 -5.3415 -0.2459 -0.2439 1.5574 1.5599 1.7766 1.7770 6.8604 6.8667 7.0626 7.0719 7.6762 7.6922 8.1089 8.1116 8.3583 8.3600 9.3413 9.3514 9.4844 9.4856 9.7852 9.8096 10.4174 10.4252 14.0095 14.0194 14.1363 14.1464 14.3847 14.3955 15.7597 15.7600 k = 0.3387 0.3393-0.0000 ( 2678 PWs) bands (ev): -45.6472 -45.6472 -22.3684 -22.3665 -21.7309 -21.7279 -21.6965 -21.6956 -13.6922 -13.6922 -6.0659 -6.0599 -5.4498 -5.4402 -5.3419 -5.3408 -0.2466 -0.2450 1.5522 1.5541 1.7771 1.7775 6.8224 6.8282 7.0205 7.0281 7.6117 7.6254 8.0957 8.0980 8.3285 8.3303 9.3710 9.3832 9.4509 9.4522 9.7951 9.8215 10.4361 10.4445 14.0512 14.0611 14.1690 14.1791 14.4277 14.4379 15.7735 15.7739 k = 0.3477 0.3482-0.0000 ( 2672 PWs) bands (ev): -45.6471 -45.6471 -22.3691 -22.3673 -21.7321 -21.7292 -21.6968 -21.6959 -13.6875 -13.6875 -6.0519 -6.0460 -5.4482 -5.4390 -5.3419 -5.3410 -0.2476 -0.2465 1.5460 1.5473 1.7782 1.7784 6.7859 6.7910 6.9806 6.9865 7.5491 7.5608 8.0830 8.0851 8.2999 8.3017 9.4002 9.4120 9.4233 9.4244 9.8050 9.8334 10.4551 10.4640 14.0915 14.1014 14.2001 14.2102 14.4689 14.4786 15.7865 15.7869 k = 0.3566 0.3571-0.0000 ( 2668 PWs) bands (ev): -45.6471 -45.6471 -22.3698 -22.3681 -21.7333 -21.7305 -21.6971 -21.6962 -13.6831 -13.6831 -6.0373 -6.0314 -5.4468 -5.4377 -5.3427 -5.3420 -0.2490 -0.2482 1.5389 1.5397 1.7796 1.7797 6.7507 6.7552 6.9431 6.9473 7.4886 7.4984 8.0709 8.0729 8.2726 8.2744 9.3857 9.3861 9.4414 9.4563 9.8147 9.8452 10.4741 10.4835 14.1302 14.1401 14.2297 14.2398 14.5084 14.5175 15.7985 15.7989 k = 0.3655 0.3661-0.0000 ( 2664 PWs) bands (ev): -45.6470 -45.6470 -22.3704 -22.3688 -21.7344 -21.7317 -21.6974 -21.6965 -13.6789 -13.6789 -6.0221 -6.0164 -5.4454 -5.4366 -5.3444 -5.3438 -0.2506 -0.2502 1.5313 1.5314 1.7814 1.7815 6.7169 6.7207 6.9082 6.9107 7.4304 7.4385 8.0595 8.0613 8.2464 8.2483 9.3567 9.3569 9.4769 9.4948 9.8242 9.8571 10.4932 10.5029 14.1672 14.1771 14.2576 14.2678 14.5459 14.5545 15.8097 15.8101 k = 0.3744 0.3750-0.0000 ( 2660 PWs) bands (ev): -45.6469 -45.6469 -22.3710 -22.3695 -21.7354 -21.7329 -21.6976 -21.6968 -13.6749 -13.6749 -6.0065 -6.0009 -5.4440 -5.4356 -5.3469 -5.3463 -0.2525 -0.2524 1.5227 1.5231 1.7835 1.7837 6.6844 6.6876 6.8759 6.8768 7.3747 7.3812 8.0488 8.0506 8.2215 8.2234 9.3287 9.3290 9.5139 9.5346 9.8336 9.8689 10.5119 10.5218 14.2023 14.2123 14.2839 14.2942 14.5815 14.5895 15.8199 15.8204 k = 0.3833 0.3839-0.0000 ( 2664 PWs) bands (ev): -45.6469 -45.6469 -22.3716 -22.3702 -21.7364 -21.7340 -21.6979 -21.6971 -13.6713 -13.6712 -5.9906 -5.9850 -5.4428 -5.4346 -5.3502 -5.3497 -0.2547 -0.2546 1.5138 1.5146 1.7858 1.7861 6.6534 6.6559 6.8458 6.8463 7.3216 7.3267 8.0389 8.0406 8.1979 8.1998 9.3023 9.3027 9.5511 9.5748 9.8428 9.8807 10.5303 10.5403 14.2355 14.2457 14.3085 14.3189 14.6149 14.6224 15.8293 15.8298 k = 0.3922 0.3929-0.0000 ( 2672 PWs) bands (ev): -45.6469 -45.6469 -22.3722 -22.3708 -21.7374 -21.7351 -21.6981 -21.6974 -13.6678 -13.6678 -5.9744 -5.9691 -5.4417 -5.4337 -5.3543 -5.3538 -0.2572 -0.2568 1.5048 1.5059 1.7883 1.7887 6.6239 6.6258 6.8177 6.8196 7.2714 7.2752 8.0298 8.0315 8.1755 8.1774 9.2777 9.2780 9.5880 9.6147 9.8519 9.8924 10.5482 10.5581 14.2667 14.2770 14.3314 14.3420 14.6460 14.6530 15.8379 15.8384 k = 0.4011 0.4018-0.0000 ( 2666 PWs) bands (ev): -45.6468 -45.6468 -22.3727 -22.3714 -21.7382 -21.7361 -21.6983 -21.6977 -13.6647 -13.6647 -5.9582 -5.9531 -5.4406 -5.4329 -5.3590 -5.3584 -0.2597 -0.2591 1.4959 1.4973 1.7909 1.7914 6.5959 6.5972 6.7926 6.7956 7.2242 7.2269 8.0217 8.0234 8.1544 8.1564 9.2547 9.2550 9.6238 9.6537 9.8610 9.9042 10.5653 10.5751 14.2958 14.3063 14.3526 14.3633 14.6749 14.6814 15.8457 15.8461 k = 0.4101 0.4107-0.0000 ( 2672 PWs) bands (ev): -45.6468 -45.6468 -22.3732 -22.3720 -21.7390 -21.7371 -21.6985 -21.6979 -13.6618 -13.6618 -5.9422 -5.9372 -5.4397 -5.4323 -5.3643 -5.3636 -0.2621 -0.2614 1.4873 1.4890 1.7936 1.7942 6.5697 6.5705 6.7705 6.7744 7.1802 7.1817 8.0145 8.0162 8.1346 8.1366 9.2336 9.2339 9.6579 9.6910 9.8704 9.9161 10.5816 10.5911 14.3226 14.3333 14.3720 14.3829 14.7015 14.7074 15.8527 15.8531 k = 0.4190 0.4196-0.0000 ( 2664 PWs) bands (ev): -45.6468 -45.6468 -22.3736 -22.3725 -21.7396 -21.7379 -21.6986 -21.6981 -13.6591 -13.6591 -5.9264 -5.9217 -5.4388 -5.4317 -5.3699 -5.3692 -0.2645 -0.2637 1.4791 1.4809 1.7962 1.7968 6.5453 6.5457 6.7513 6.7559 7.1394 7.1400 8.0083 8.0100 8.1161 8.1181 9.2144 9.2147 9.6897 9.7255 9.8802 9.9279 10.5969 10.6061 14.3472 14.3581 14.3897 14.4008 14.7256 14.7310 15.8590 15.8593 k = 0.4279 0.4286-0.0000 ( 2672 PWs) bands (ev): -45.6467 -45.6467 -22.3740 -22.3730 -21.7403 -21.7387 -21.6988 -21.6983 -13.6568 -13.6568 -5.9112 -5.9067 -5.4381 -5.4313 -5.3759 -5.3750 -0.2668 -0.2660 1.4715 1.4734 1.7988 1.7994 6.5229 6.5230 6.7349 6.7400 7.1019 7.1020 8.0033 8.0050 8.0989 8.1009 9.1971 9.1973 9.7188 9.7565 9.8908 9.9396 10.6111 10.6197 14.3693 14.3804 14.4057 14.4170 14.7473 14.7521 15.8645 15.8648 k = 0.4368 0.4375-0.0000 ( 2674 PWs) bands (ev): -45.6467 -45.6467 -22.3743 -22.3735 -21.7409 -21.7395 -21.6989 -21.6985 -13.6547 -13.6547 -5.8967 -5.8926 -5.4376 -5.4311 -5.3819 -5.3809 -0.2690 -0.2681 1.4646 1.4664 1.8012 1.8018 6.5025 6.5026 6.7212 6.7265 7.0675 7.0683 7.9993 8.0010 8.0830 8.0850 9.1817 9.1819 9.7447 9.7828 9.9029 9.9510 10.6240 10.6320 14.3890 14.4002 14.4199 14.4313 14.7666 14.7707 15.8693 15.8696 k = 0.4457 0.4464-0.0000 ( 2674 PWs) bands (ev): -45.6467 -45.6467 -22.3746 -22.3738 -21.7413 -21.7401 -21.6990 -21.6987 -13.6529 -13.6529 -5.8832 -5.8795 -5.4371 -5.4311 -5.3878 -5.3865 -0.2709 -0.2701 1.4584 1.4601 1.8034 1.8039 6.4845 6.4847 6.7100 6.7153 7.0371 7.0382 7.9965 7.9982 8.0685 8.0704 9.1684 9.1685 9.7673 9.8037 9.9165 9.9618 10.6356 10.6428 14.4062 14.4173 14.4326 14.4438 14.7833 14.7869 15.8734 15.8737 k = 0.4546 0.4554-0.0000 ( 2678 PWs) bands (ev): -45.6467 -45.6467 -22.3748 -22.3742 -21.7417 -21.7407 -21.6991 -21.6988 -13.6513 -13.6513 -5.8710 -5.8678 -5.4368 -5.4313 -5.3932 -5.3918 -0.2726 -0.2719 1.4531 1.4546 1.8053 1.8058 6.4689 6.4692 6.7012 6.7062 7.0108 7.0122 7.9949 7.9966 8.0553 8.0572 9.1570 9.1571 9.7865 9.8192 9.9313 9.9716 10.6458 10.6520 14.4210 14.4314 14.4438 14.4544 14.7975 14.8006 15.8768 15.8771 k = 0.4635 0.4643-0.0000 ( 2682 PWs) bands (ev): -45.6467 -45.6467 -22.3750 -22.3745 -21.7420 -21.7412 -21.6992 -21.6990 -13.6501 -13.6501 -5.8604 -5.8577 -5.4367 -5.4317 -5.3979 -5.3965 -0.2740 -0.2734 1.4487 1.4500 1.8070 1.8074 6.4560 6.4563 6.6946 6.6990 6.9888 6.9903 7.9945 7.9962 8.0435 8.0454 9.1476 9.1477 9.8025 9.8298 9.9463 9.9800 10.6544 10.6596 14.4332 14.4423 14.4538 14.4631 14.8093 14.8117 15.8797 15.8798 k = 0.4725 0.4732-0.0000 ( 2678 PWs) bands (ev): -45.6466 -45.6466 -22.3751 -22.3747 -21.7422 -21.7416 -21.6992 -21.6991 -13.6491 -13.6491 -5.8516 -5.8495 -5.4365 -5.4324 -5.4017 -5.4004 -0.2752 -0.2746 1.4452 1.4463 1.8084 1.8087 6.4458 6.4461 6.6899 6.6935 6.9714 6.9727 7.9952 7.9970 8.0332 8.0350 9.1403 9.1404 9.8153 9.8363 9.9605 9.9864 10.6614 10.6654 14.4429 14.4501 14.4624 14.4697 14.8185 14.8203 15.8818 15.8820 k = 0.4814 0.4821-0.0000 ( 2682 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3750 -21.7424 -21.7419 -21.6993 -21.6992 -13.6484 -13.6483 -5.8450 -5.8435 -5.4363 -5.4334 -5.4044 -5.4033 -0.2760 -0.2756 1.4428 1.4435 1.8094 1.8096 6.4384 6.4386 6.6869 6.6895 6.9588 6.9598 7.9972 7.9988 8.0244 8.0261 9.1350 9.1350 9.8252 9.8395 9.9725 9.9902 10.6667 10.6694 14.4502 14.4551 14.4693 14.4743 14.8252 14.8265 15.8834 15.8835 k = 0.4903 0.4911-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3751 -21.7424 -21.7421 -21.6993 -21.6992 -13.6479 -13.6479 -5.8406 -5.8399 -5.4360 -5.4344 -5.4059 -5.4053 -0.2764 -0.2762 1.4413 1.4417 1.8100 1.8102 6.4339 6.4340 6.6854 6.6868 6.9511 6.9516 7.9999 8.0012 8.0177 8.0191 9.1317 9.1317 9.8326 9.8400 9.9819 9.9911 10.6702 10.6717 14.4550 14.4576 14.4740 14.4767 14.8295 14.8301 15.8844 15.8844 k = 0.4992 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8388 -5.8387 -5.4354 -5.4352 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4323 6.6853 6.6854 6.9484 6.9484 8.0022 8.0024 8.0150 8.0151 9.1305 9.1305 9.8374 9.8380 9.9881 9.9888 10.6720 10.6721 14.4576 14.4578 14.4766 14.4768 14.8312 14.8313 15.8848 15.8848 k = 0.4992 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8388 -5.8387 -5.4354 -5.4352 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4323 6.6853 6.6854 6.9484 6.9484 8.0022 8.0024 8.0150 8.0151 9.1305 9.1305 9.8374 9.8380 9.9881 9.9888 10.6720 10.6721 14.4576 14.4578 14.4766 14.4768 14.8312 14.8313 15.8848 15.8848 k = 0.4867 0.5000-0.0000 ( 2681 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3751 -21.7423 -21.7422 -21.6993 -21.6992 -13.6479 -13.6479 -5.8405 -5.8399 -5.4355 -5.4343 -5.4061 -5.4056 -0.2764 -0.2763 1.4413 1.4416 1.8101 1.8101 6.4338 6.4338 6.6862 6.6872 6.9504 6.9508 8.0010 8.0021 8.0168 8.0179 9.1317 9.1317 9.8336 9.8390 9.9834 9.9901 10.6705 10.6716 14.4554 14.4573 14.4746 14.4764 14.8296 14.8301 15.8845 15.8845 k = 0.4742 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3750 -21.7423 -21.7420 -21.6993 -21.6992 -13.6483 -13.6483 -5.8446 -5.8436 -5.4348 -5.4327 -5.4054 -5.4046 -0.2759 -0.2757 1.4428 1.4433 1.8094 1.8096 6.4380 6.4382 6.6895 6.6913 6.9562 6.9569 7.9995 8.0009 8.0220 8.0235 9.1348 9.1349 9.8273 9.8374 9.9757 9.9883 10.6673 10.6693 14.4503 14.4535 14.4714 14.4746 14.8256 14.8265 15.8836 15.8837 k = 0.4618 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3751 -22.3748 -21.7422 -21.7417 -21.6992 -21.6991 -13.6490 -13.6490 -5.8512 -5.8497 -5.4334 -5.4304 -5.4040 -5.4029 -0.2751 -0.2748 1.4452 1.4459 1.8084 1.8087 6.4448 6.4451 6.6952 6.6978 6.9659 6.9669 7.9982 7.9997 8.0298 8.0313 9.1401 9.1401 9.8185 9.8334 9.9651 9.9835 10.6623 10.6652 14.4411 14.4446 14.4689 14.4724 14.8192 14.8205 15.8823 15.8823 k = 0.4493 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6466 -45.6466 -22.3749 -22.3746 -21.7419 -21.7413 -21.6991 -21.6990 -13.6500 -13.6500 -5.8601 -5.8582 -5.4313 -5.4276 -5.4021 -5.4008 -0.2740 -0.2736 1.4486 1.4495 1.8071 1.8074 6.4541 6.4544 6.7032 6.7065 6.9797 6.9809 7.9973 7.9987 8.0399 8.0415 9.1473 9.1474 9.8072 9.8268 9.9516 9.9757 10.6556 10.6592 14.4272 14.4303 14.4675 14.4706 14.8105 14.8122 15.8803 15.8804 k = 0.4368 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6467 -45.6467 -22.3747 -22.3743 -21.7416 -21.7409 -21.6991 -21.6988 -13.6512 -13.6512 -5.8710 -5.8689 -5.4286 -5.4243 -5.3996 -5.3982 -0.2726 -0.2720 1.4530 1.4541 1.8054 1.8058 6.4656 6.4660 6.7135 6.7174 6.9979 6.9990 7.9965 7.9979 8.0524 8.0538 9.1566 9.1567 9.7935 9.8177 9.9355 9.9652 10.6470 10.6514 14.4086 14.4112 14.4665 14.4692 14.7997 14.8018 15.8778 15.8779 k = 0.4243 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6467 -45.6467 -22.3745 -22.3740 -21.7412 -21.7403 -21.6990 -21.6987 -13.6527 -13.6526 -5.8840 -5.8816 -5.4254 -5.4209 -5.3964 -5.3951 -0.2708 -0.2702 1.4584 1.4596 1.8035 1.8039 6.4789 6.4794 6.7260 6.7303 7.0204 7.0215 7.9960 7.9972 8.0671 8.0685 9.1678 9.1679 9.7775 9.8062 9.9169 9.9520 10.6365 10.6416 14.3857 14.3878 14.4657 14.4680 14.7869 14.7894 15.8746 15.8747 k = 0.4118 0.5000-0.0000 ( 2669 PWs) bands (ev): -45.6467 -45.6467 -22.3742 -22.3736 -21.7407 -21.7398 -21.6988 -21.6985 -13.6544 -13.6543 -5.8988 -5.8962 -5.4220 -5.4175 -5.3925 -5.3915 -0.2687 -0.2681 1.4647 1.4660 1.8013 1.8017 6.4937 6.4943 6.7408 6.7453 7.0476 7.0483 7.9955 7.9965 8.0841 8.0854 9.1810 9.1812 9.7592 9.7921 9.8962 9.9363 10.6241 10.6298 14.3585 14.3604 14.4650 14.4669 14.7723 14.7751 15.8706 15.8708 k = 0.3994 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6467 -45.6467 -22.3739 -22.3732 -21.7402 -21.7391 -21.6987 -21.6983 -13.6563 -13.6563 -5.9151 -5.9125 -5.4186 -5.4142 -5.3878 -5.3872 -0.2663 -0.2657 1.4720 1.4733 1.7988 1.7993 6.5096 6.5102 6.7582 6.7626 7.0793 7.0796 7.9950 7.9960 8.1033 8.1045 9.1962 9.1963 9.7388 9.7753 9.8738 9.9184 10.6096 10.6159 14.3275 14.3291 14.4642 14.4659 14.7561 14.7594 15.8659 15.8661 k = 0.3869 0.5000-0.0000 ( 2660 PWs) bands (ev): -45.6468 -45.6468 -22.3735 -22.3728 -21.7396 -21.7384 -21.6984 -21.6981 -13.6584 -13.6584 -5.9329 -5.9302 -5.4153 -5.4113 -5.3822 -5.3821 -0.2637 -0.2631 1.4802 1.4815 1.7962 1.7967 6.5260 6.5266 6.7783 6.7825 7.1153 7.1156 7.9946 7.9955 8.1247 8.1257 9.2132 9.2134 9.7162 9.7559 9.8501 9.8985 10.5930 10.5998 14.2927 14.2941 14.4634 14.4649 14.7387 14.7422 15.8603 15.8604 k = 0.3744 0.5000-0.0000 ( 2653 PWs) bands (ev): -45.6468 -45.6468 -22.3730 -22.3723 -21.7389 -21.7376 -21.6982 -21.6978 -13.6608 -13.6608 -5.9520 -5.9492 -5.4125 -5.4089 -5.3761 -5.3757 -0.2607 -0.2602 1.4892 1.4905 1.7935 1.7939 6.5425 6.5430 6.8014 6.8051 7.1552 7.1563 7.9942 7.9950 8.1480 8.1490 9.2320 9.2322 9.6915 9.7334 9.8259 9.8770 10.5743 10.5814 14.2544 14.2556 14.4625 14.4638 14.7202 14.7240 15.8537 15.8538 k = 0.3619 0.5000-0.0000 ( 2659 PWs) bands (ev): -45.6468 -45.6468 -22.3726 -22.3718 -21.7383 -21.7369 -21.6980 -21.6976 -13.6633 -13.6633 -5.9721 -5.9694 -5.4101 -5.4071 -5.3693 -5.3684 -0.2575 -0.2570 1.4991 1.5003 1.7906 1.7911 6.5586 6.5589 6.8279 6.8308 7.1990 7.2010 7.9938 7.9945 8.1733 8.1742 9.2527 9.2529 9.6648 9.7077 9.8016 9.8543 10.5533 10.5607 14.2128 14.2139 14.4615 14.4627 14.7008 14.7050 15.8460 15.8461 k = 0.3494 0.5000-0.0000 ( 2662 PWs) bands (ev): -45.6469 -45.6469 -22.3722 -22.3713 -21.7376 -21.7361 -21.6977 -21.6973 -13.6660 -13.6660 -5.9931 -5.9905 -5.4084 -5.4057 -5.3617 -5.3604 -0.2541 -0.2537 1.5097 1.5108 1.7878 1.7882 6.5739 6.5739 6.8580 6.8600 7.2465 7.2495 7.9934 7.9940 8.2003 8.2012 9.2751 9.2753 9.6363 9.6788 9.7780 9.8307 10.5299 10.5375 14.1682 14.1691 14.4605 14.4615 14.6809 14.6855 15.8372 15.8372 k = 0.3370 0.5000-0.0000 ( 2665 PWs) bands (ev): -45.6469 -45.6469 -22.3717 -22.3708 -21.7368 -21.7353 -21.6974 -21.6969 -13.6689 -13.6689 -6.0149 -6.0123 -5.4073 -5.4049 -5.3534 -5.3518 -0.2505 -0.2502 1.5211 1.5220 1.7850 1.7853 6.5879 6.5881 6.8918 6.8928 7.2972 7.3013 7.9930 7.9935 8.2291 8.2298 9.2992 9.2994 9.6059 9.6466 9.7555 9.8069 10.5041 10.5117 14.1207 14.1215 14.4594 14.4603 14.6608 14.6656 15.8269 15.8269 k = 0.3245 0.5000-0.0000 ( 2666 PWs) bands (ev): -45.6469 -45.6469 -22.3712 -22.3702 -21.7361 -21.7345 -21.6970 -21.6965 -13.6719 -13.6719 -6.0373 -6.0348 -5.4067 -5.4046 -5.3444 -5.3426 -0.2467 -0.2466 1.5331 1.5337 1.7823 1.7826 6.6007 6.6013 6.9292 6.9294 7.3506 7.3559 7.9926 7.9930 8.2593 8.2599 9.3248 9.3250 9.5737 9.6116 9.7344 9.7832 10.4758 10.4834 14.0706 14.0713 14.4582 14.4590 14.6406 14.6457 15.8151 15.8152 k = 0.3120 0.5000-0.0000 ( 2668 PWs) bands (ev): -45.6470 -45.6470 -22.3706 -22.3696 -21.7353 -21.7337 -21.6966 -21.6961 -13.6750 -13.6750 -6.0602 -6.0578 -5.4066 -5.4047 -5.3349 -5.3330 -0.2427 -0.2427 1.5456 1.5460 1.7798 1.7800 6.6123 6.6132 6.9692 6.9706 7.4062 7.4128 7.9921 7.9925 8.2909 8.2914 9.3520 9.3521 9.5398 9.5740 9.7149 9.7603 10.4448 10.4524 14.0182 14.0188 14.4570 14.4577 14.6207 14.6260 15.8016 15.8019 k = 0.2995 0.5000-0.0000 ( 2664 PWs) bands (ev): -45.6470 -45.6470 -22.3701 -22.3690 -21.7345 -21.7328 -21.6961 -21.6956 -13.6782 -13.6782 -6.0833 -6.0810 -5.4070 -5.4052 -5.3250 -5.3230 -0.2388 -0.2386 1.5586 1.5587 1.7775 1.7776 6.6229 6.6241 7.0126 7.0153 7.4635 7.4714 7.9917 7.9920 8.3236 8.3241 9.3805 9.3806 9.5044 9.5344 9.6974 9.7388 10.4113 10.4186 13.9637 13.9643 14.4557 14.4563 14.6012 14.6068 15.7864 15.7868 k = 0.2870 0.5000-0.0000 ( 2666 PWs) bands (ev): -45.6471 -45.6471 -22.3695 -22.3684 -21.7337 -21.7320 -21.6956 -21.6952 -13.6815 -13.6815 -6.1066 -6.1045 -5.4078 -5.4062 -5.3147 -5.3128 -0.2348 -0.2345 1.5717 1.5719 1.7756 1.7757 6.6326 6.6341 7.0592 7.0632 7.5217 7.5311 7.9912 7.9915 8.3574 8.3578 9.4096 9.4104 9.4682 9.4931 9.6821 9.7192 10.3750 10.3821 13.9074 13.9079 14.4544 14.4549 14.5824 14.5883 15.7691 15.7697 k = 0.2746 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6471 -45.6471 -22.3689 -22.3678 -21.7329 -21.7312 -21.6951 -21.6946 -13.6848 -13.6848 -6.1300 -6.1280 -5.4090 -5.4075 -5.3042 -5.3023 -0.2307 -0.2302 1.5848 1.5853 1.7741 1.7742 6.6415 6.6432 7.1088 7.1141 7.5803 7.5911 7.9908 7.9910 8.3920 8.3922 9.4232 9.4412 9.4474 9.4508 9.6694 9.7022 10.3360 10.3428 13.8495 13.8500 14.4530 14.4534 14.5645 14.5706 15.7497 15.7505 k = 0.2621 0.5000-0.0000 ( 2676 PWs) bands (ev): -45.6472 -45.6472 -22.3683 -22.3673 -21.7322 -21.7305 -21.6945 -21.6941 -13.6882 -13.6882 -6.1532 -6.1514 -5.4106 -5.4092 -5.2935 -5.2917 -0.2266 -0.2259 1.5980 1.5987 1.7732 1.7734 6.6498 6.6517 7.1610 7.1677 7.6384 7.6508 7.9903 7.9905 8.4271 8.4273 9.3875 9.4070 9.4737 9.4759 9.6598 9.6884 10.2943 10.3007 13.7905 13.7909 14.4515 14.4518 14.5476 14.5540 15.7280 15.7290 k = 0.2496 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6472 -45.6472 -22.3677 -22.3666 -21.7314 -21.7297 -21.6938 -21.6934 -13.6916 -13.6916 -6.1763 -6.1746 -5.4125 -5.4111 -5.2827 -5.2810 -0.2224 -0.2216 1.6109 1.6119 1.7730 1.7732 6.6575 6.6596 7.2156 7.2238 7.6955 7.7094 7.9898 7.9900 8.4627 8.4628 9.3475 9.3630 9.5066 9.5087 9.6538 9.6783 10.2498 10.2557 13.7305 13.7308 14.4499 14.4501 14.5320 14.5386 15.7038 15.7050 k = 0.2371 0.5000-0.0000 ( 2675 PWs) bands (ev): -45.6472 -45.6472 -22.3671 -22.3660 -21.7307 -21.7290 -21.6932 -21.6928 -13.6950 -13.6949 -6.1990 -6.1974 -5.4146 -5.4133 -5.2720 -5.2703 -0.2183 -0.2173 1.6234 1.6246 1.7737 1.7739 6.6649 6.6671 7.2723 7.2820 7.7509 7.7665 7.9894 7.9894 8.4984 8.4985 9.3067 9.3188 9.5401 9.5425 9.6520 9.6725 10.2027 10.2079 13.6698 13.6702 14.4483 14.4484 14.5176 14.5246 15.6770 15.6785 k = 0.2246 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3665 -22.3654 -21.7300 -21.7283 -21.6924 -21.6921 -13.6983 -13.6983 -6.2213 -6.2198 -5.4170 -5.4158 -5.2612 -5.2597 -0.2142 -0.2130 1.6352 1.6366 1.7754 1.7757 6.6719 6.6742 7.3307 7.3420 7.8040 7.8213 7.9889 7.9889 8.5341 8.5343 9.2654 9.2746 9.5739 9.5770 9.6550 9.6714 10.1529 10.1574 13.6089 13.6092 14.4466 14.4467 14.5048 14.5119 15.6475 15.6493 k = 0.2122 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3659 -22.3648 -21.7293 -21.7277 -21.6917 -21.6913 -13.7016 -13.7016 -6.2430 -6.2417 -5.4195 -5.4184 -5.2506 -5.2492 -0.2101 -0.2089 1.6461 1.6476 1.7784 1.7786 6.6787 6.6811 7.3905 7.4035 7.8542 7.8734 7.9884 7.9885 8.5695 8.5698 9.2241 9.2309 9.6073 9.6118 9.6635 9.6754 10.1007 10.1041 13.5480 13.5483 14.4448 14.4448 14.4934 14.5008 15.6152 15.6173 k = 0.1997 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6474 -45.6474 -22.3653 -22.3643 -21.7287 -21.7272 -21.6909 -21.6906 -13.7049 -13.7048 -6.2641 -6.2629 -5.4222 -5.4211 -5.2403 -5.2390 -0.2061 -0.2048 1.6558 1.6574 1.7827 1.7828 6.6852 6.6877 7.4510 7.4659 7.9015 7.9225 7.9880 7.9881 8.6044 8.6049 9.1831 9.1878 9.6391 9.6465 9.6789 9.6848 10.0461 10.0483 13.4875 13.4877 14.4428 14.4429 14.4837 14.4913 15.5801 15.5825 k = 0.1872 0.5000-0.0000 ( 2674 PWs) bands (ev): -45.6474 -45.6474 -22.3648 -22.3638 -21.7281 -21.7267 -21.6901 -21.6899 -13.7080 -13.7080 -6.2844 -6.2833 -5.4250 -5.4239 -5.2301 -5.2289 -0.2023 -0.2008 1.6642 1.6658 1.7884 1.7885 6.6916 6.6941 7.5119 7.5286 7.9456 7.9685 7.9875 7.9878 8.6386 8.6393 9.1427 9.1458 9.6682 9.6797 9.7005 9.7020 9.9897 9.9901 13.4277 13.4279 14.4408 14.4409 14.4756 14.4833 15.5424 15.5451 k = 0.1747 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6475 -45.6475 -22.3642 -22.3633 -21.7276 -21.7262 -21.6893 -21.6891 -13.7110 -13.7110 -6.3038 -6.3029 -5.4278 -5.4268 -5.2203 -5.2193 -0.1986 -0.1971 1.6713 1.6727 1.7953 1.7956 6.6978 6.7003 7.5722 7.5910 7.9851 7.9871 7.9891 8.0124 8.6719 8.6727 9.1032 9.1050 9.6953 9.7075 9.7249 9.7313 9.9300 9.9325 13.3690 13.3692 14.4387 14.4388 14.4690 14.4768 15.5021 15.5052 k = 0.1622 0.5000-0.0000 ( 2668 PWs) bands (ev): -45.6475 -45.6475 -22.3637 -22.3627 -21.7271 -21.7258 -21.6885 -21.6883 -13.7140 -13.7139 -6.3224 -6.3215 -5.4306 -5.4297 -5.2109 -5.2100 -0.1950 -0.1934 1.6771 1.6783 1.8034 1.8039 6.7038 6.7063 7.6311 7.6519 7.9864 7.9869 8.0270 8.0539 8.7040 8.7049 9.0649 9.0657 9.7226 9.7290 9.7555 9.7631 9.8691 9.8776 13.3118 13.3120 14.4367 14.4368 14.4640 14.4718 15.4596 15.4630 k = 0.1498 0.5000-0.0000 ( 2670 PWs) bands (ev): -45.6475 -45.6475 -22.3632 -22.3623 -21.7266 -21.7254 -21.6877 -21.6876 -13.7167 -13.7167 -6.3399 -6.3391 -5.4333 -5.4325 -5.2020 -5.2011 -0.1916 -0.1900 1.6817 1.6827 1.8122 1.8129 6.7096 6.7121 7.6873 7.7100 7.9860 7.9866 8.0661 8.0946 8.7347 8.7358 9.0282 9.0283 9.7362 9.7458 9.7849 9.7891 9.8194 9.8396 13.2565 13.2566 14.4347 14.4349 14.4603 14.4680 15.4152 15.4191 k = 0.1373 0.5000-0.0000 ( 2672 PWs) bands (ev): -45.6476 -45.6476 -22.3627 -22.3619 -21.7262 -21.7251 -21.6870 -21.6869 -13.7194 -13.7193 -6.3563 -6.3556 -5.4360 -5.4353 -5.1936 -5.1928 -0.1884 -0.1868 1.6853 1.6862 1.8216 1.8225 6.7153 6.7176 7.7396 7.7635 7.9856 7.9863 8.1065 8.1360 8.7638 8.7649 8.9929 8.9933 9.7027 9.7185 9.7992 9.8120 9.8361 9.8450 13.2034 13.2035 14.4330 14.4333 14.4577 14.4654 15.3696 15.3738 k = 0.1248 0.5000-0.0000 ( 2677 PWs) bands (ev): -45.6476 -45.6476 -22.3623 -22.3615 -21.7259 -21.7248 -21.6863 -21.6862 -13.7218 -13.7218 -6.3715 -6.3709 -5.4386 -5.4379 -5.1857 -5.1850 -0.1854 -0.1839 1.6882 1.6888 1.8313 1.8323 6.7206 6.7229 7.7863 7.8107 7.9853 7.9861 8.1503 8.1799 8.7909 8.7922 8.9599 8.9606 9.6437 9.6542 9.8301 9.8418 9.8685 9.8727 13.1529 13.1530 14.4317 14.4320 14.4561 14.4638 15.3234 15.3278 k = 0.1123 0.5000-0.0000 ( 2678 PWs) bands (ev): -45.6476 -45.6476 -22.3619 -22.3612 -21.7255 -21.7246 -21.6856 -21.6855 -13.7241 -13.7240 -6.3855 -6.3849 -5.4410 -5.4404 -5.1784 -5.1778 -0.1826 -0.1812 1.6904 1.6909 1.8408 1.8419 6.7258 6.7279 7.8262 7.8500 7.9849 7.9859 8.1992 8.2278 8.8157 8.8172 8.9297 8.9303 9.5769 9.5844 9.8638 9.8730 9.9016 9.9048 13.1056 13.1057 14.4308 14.4311 14.4554 14.4630 15.2772 15.2819 k = 0.0998 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6477 -45.6477 -22.3615 -22.3608 -21.7252 -21.7244 -21.6850 -21.6849 -13.7261 -13.7261 -6.3981 -6.3977 -5.4433 -5.4428 -5.1717 -5.1712 -0.1801 -0.1787 1.6921 1.6925 1.8500 1.8511 6.7306 6.7326 7.8589 7.8809 7.9847 7.9858 8.2541 8.2806 8.8375 8.8394 8.9030 8.9032 9.5069 9.5123 9.8965 9.9033 9.9347 9.9381 13.0617 13.0618 14.4302 14.4304 14.4556 14.4630 15.2321 15.2369 k = 0.0874 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6477 -45.6477 -22.3611 -22.3606 -21.7250 -21.7243 -21.6844 -21.6843 -13.7279 -13.7279 -6.4094 -6.4090 -5.4454 -5.4449 -5.1658 -5.1653 -0.1778 -0.1766 1.6935 1.6938 1.8586 1.8597 6.7350 6.7369 7.8845 7.9039 7.9845 7.9857 8.3148 8.3384 8.8528 8.8556 8.8824 8.8832 9.4350 9.4388 9.9266 9.9313 9.9677 9.9713 13.0218 13.0219 14.4299 14.4299 14.4564 14.4637 15.1889 15.1937 k = 0.0749 0.5000-0.0000 ( 2678 PWs) bands (ev): -45.6477 -45.6477 -22.3608 -22.3603 -21.7247 -21.7241 -21.6839 -21.6838 -13.7296 -13.7296 -6.4193 -6.4190 -5.4472 -5.4468 -5.1605 -5.1601 -0.1758 -0.1747 1.6946 1.6948 1.8664 1.8675 6.7390 6.7407 7.9038 7.9203 7.9843 7.9856 8.3803 8.4007 8.8472 8.8490 8.8847 8.8848 9.3620 9.3645 9.9530 9.9563 9.9997 10.0033 12.9862 12.9863 14.4296 14.4297 14.4580 14.4650 15.1486 15.1533 k = 0.0624 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6477 -45.6477 -22.3605 -22.3601 -21.7245 -21.7240 -21.6834 -21.6834 -13.7310 -13.7309 -6.4278 -6.4275 -5.4488 -5.4484 -5.1560 -5.1557 -0.1740 -0.1731 1.6955 1.6956 1.8733 1.8743 6.7426 6.7440 7.9179 7.9314 7.9842 7.9855 8.4492 8.4663 8.8312 8.8319 8.8968 8.8977 9.2889 9.2901 9.9756 9.9778 10.0294 10.0327 12.9554 12.9554 14.4294 14.4296 14.4602 14.4665 15.1122 15.1166 k = 0.0499 0.5000-0.0000 ( 2686 PWs) bands (ev): -45.6477 -45.6477 -22.3603 -22.3600 -21.7244 -21.7240 -21.6831 -21.6830 -13.7321 -13.7321 -6.4347 -6.4345 -5.4501 -5.4498 -5.1523 -5.1521 -0.1726 -0.1718 1.6961 1.6962 1.8791 1.8800 6.7456 6.7467 7.9280 7.9387 7.9842 7.9854 8.5198 8.5339 8.8167 8.8168 8.9074 8.9088 9.2166 9.2168 9.9943 9.9958 10.0557 10.0585 12.9296 12.9296 14.4293 14.4295 14.4627 14.4683 15.0808 15.0847 k = 0.0374 0.5000-0.0000 ( 2690 PWs) bands (ev): -45.6478 -45.6478 -22.3601 -22.3599 -21.7242 -21.7239 -21.6828 -21.6828 -13.7330 -13.7330 -6.4402 -6.4400 -5.4511 -5.4509 -5.1494 -5.1492 -0.1714 -0.1708 1.6966 1.6967 1.8838 1.8845 6.7480 6.7489 7.9351 7.9430 7.9843 7.9853 8.5902 8.6013 8.8045 8.8056 8.9140 8.9160 9.1467 9.1474 10.0090 10.0100 10.0773 10.0795 12.9091 12.9092 14.4293 14.4295 14.4654 14.4698 15.0553 15.0585 k = 0.0250 0.5000-0.0000 ( 2682 PWs) bands (ev): -45.6478 -45.6478 -22.3600 -22.3598 -21.7241 -21.7239 -21.6825 -21.6825 -13.7336 -13.7336 -6.4441 -6.4440 -5.4519 -5.4517 -5.1473 -5.1472 -0.1705 -0.1701 1.6970 1.6970 1.8872 1.8877 6.7498 6.7504 7.9401 7.9453 7.9844 7.9851 8.6572 8.6649 8.7962 8.7984 8.9145 8.9172 9.0844 9.0856 10.0196 10.0202 10.0935 10.0950 12.8944 12.8944 14.4293 14.4294 14.4678 14.4710 15.0366 15.0388 k = 0.0125 0.5000-0.0000 ( 2674 PWs) bands (ev): -45.6478 -45.6478 -22.3598 -22.3597 -21.7240 -21.7239 -21.6824 -21.6824 -13.7340 -13.7340 -6.4464 -6.4463 -5.4523 -5.4522 -5.1460 -5.1459 -0.1700 -0.1698 1.6972 1.6972 1.8894 1.8896 6.7510 6.7513 7.9433 7.9459 7.9846 7.9849 8.7124 8.7160 8.7931 8.7962 8.9066 8.9096 9.0399 9.0406 10.0261 10.0264 10.1037 10.1044 12.8854 12.8854 14.4293 14.4293 14.4698 14.4714 15.0253 15.0265 k = 0.0000 0.5000-0.0000 ( 2674 PWs) bands (ev): -45.6478 -45.6478 -22.3597 -22.3597 -21.7239 -21.7239 -21.6823 -21.6823 -13.7342 -13.7342 -6.4471 -6.4471 -5.4524 -5.4524 -5.1456 -5.1456 -0.1697 -0.1697 1.6973 1.6973 1.8902 1.8902 6.7515 6.7515 7.9453 7.9453 7.9848 7.9848 8.7362 8.7362 8.7960 8.7960 8.9001 8.9001 9.0242 9.0242 10.0283 10.0283 10.1073 10.1073 12.8824 12.8824 14.4293 14.4293 14.4710 14.4710 15.0219 15.0219 k = 0.0000 0.5000-0.0000 ( 2674 PWs) bands (ev): -45.6478 -45.6478 -22.3597 -22.3597 -21.7239 -21.7239 -21.6823 -21.6823 -13.7342 -13.7342 -6.4471 -6.4471 -5.4524 -5.4524 -5.1456 -5.1456 -0.1697 -0.1697 1.6973 1.6973 1.8902 1.8902 6.7515 6.7515 7.9453 7.9453 7.9848 7.9848 8.7362 8.7362 8.7960 8.7960 8.9001 8.9001 9.0242 9.0242 10.0283 10.0283 10.1073 10.1073 12.8824 12.8824 14.4293 14.4293 14.4710 14.4710 15.0219 15.0219 k = 0.0000 0.5000 0.0126 ( 2672 PWs) bands (ev): -45.6478 -45.6478 -22.3598 -22.3597 -21.7239 -21.7239 -21.6824 -21.6823 -13.7340 -13.7340 -6.4464 -6.4462 -5.4523 -5.4522 -5.1462 -5.1457 -0.1721 -0.1676 1.6944 1.6999 1.8877 1.8912 6.7509 6.7514 7.9447 7.9457 7.9836 7.9854 8.7132 8.7365 8.7728 8.7830 8.8785 8.9621 9.0085 9.0588 10.0147 10.0299 10.1002 10.1161 12.8844 12.8857 14.4284 14.4302 14.4702 14.4720 15.0253 15.0261 k = 0.0000 0.5000 0.0251 ( 2672 PWs) bands (ev): -45.6478 -45.6478 -22.3599 -22.3598 -21.7240 -21.7239 -21.6826 -21.6824 -13.7336 -13.7336 -6.4441 -6.4436 -5.4519 -5.4516 -5.1476 -5.1468 -0.1749 -0.1659 1.6913 1.7024 1.8838 1.8907 6.7497 6.7507 7.9439 7.9460 7.9818 7.9853 8.6577 8.6909 8.7653 8.7678 8.8904 8.9757 9.0572 9.1099 9.9928 10.0173 10.0971 10.1228 12.8916 12.8943 14.4274 14.4310 14.4695 14.4731 15.0361 15.0377 k = 0.0000 0.5000 0.0377 ( 2682 PWs) bands (ev): -45.6478 -45.6478 -22.3601 -22.3599 -21.7242 -21.7240 -21.6829 -21.6826 -13.7329 -13.7329 -6.4401 -6.4394 -5.4511 -5.4507 -5.1499 -5.1486 -0.1780 -0.1647 1.6881 1.7046 1.8787 1.8888 6.7478 6.7494 7.9429 7.9463 7.9792 7.9845 8.5879 8.6157 8.7724 8.7726 8.8965 8.9636 9.1355 9.1733 9.9649 9.9936 10.0952 10.1255 12.9041 12.9081 14.4266 14.4318 14.4689 14.4742 15.0539 15.0562 k = 0.0000 0.5000 0.0503 ( 2688 PWs) bands (ev): -45.6477 -45.6477 -22.3603 -22.3601 -21.7243 -21.7240 -21.6833 -21.6830 -13.7320 -13.7320 -6.4345 -6.4336 -5.4500 -5.4494 -5.1529 -5.1512 -0.1814 -0.1638 1.6847 1.7066 1.8722 1.8855 6.7454 6.7474 7.9416 7.9464 7.9753 7.9824 8.5133 8.5368 8.7824 8.7853 8.8946 8.9498 9.2159 9.2435 9.9327 9.9630 10.0910 10.1235 12.9219 12.9269 14.4259 14.4327 14.4685 14.4755 15.0782 15.0811 k = 0.0000 0.5000 0.0628 ( 2686 PWs) bands (ev): -45.6477 -45.6477 -22.3606 -22.3602 -21.7244 -21.7241 -21.6838 -21.6833 -13.7307 -13.7307 -6.4274 -6.4262 -5.4486 -5.4479 -5.1567 -5.1546 -0.1851 -0.1633 1.6812 1.7083 1.8647 1.8808 6.7425 6.7449 7.9394 7.9464 7.9697 7.9788 8.4373 8.4583 8.7956 8.8020 8.8867 8.9350 9.2962 9.3169 9.8971 9.9280 10.0830 10.1164 12.9448 12.9509 14.4256 14.4339 14.4683 14.4769 15.1082 15.1116 k = 0.0000 0.5000 0.0754 ( 2684 PWs) bands (ev): -45.6477 -45.6477 -22.3608 -22.3604 -21.7246 -21.7242 -21.6843 -21.6838 -13.7293 -13.7292 -6.4186 -6.4173 -5.4469 -5.4460 -5.1613 -5.1588 -0.1891 -0.1632 1.6774 1.7096 1.8562 1.8747 6.7390 6.7418 7.9357 7.9462 7.9621 7.9730 8.3615 8.3817 8.8106 8.8219 8.8743 8.9202 9.3756 9.3914 9.8591 9.8901 10.0708 10.1045 12.9727 12.9797 14.4257 14.4355 14.4682 14.4784 15.1429 15.1467 k = 0.0000 0.5000 0.0880 ( 2682 PWs) bands (ev): -45.6477 -45.6477 -22.3612 -22.3607 -21.7248 -21.7244 -21.6849 -21.6843 -13.7275 -13.7275 -6.4084 -6.4068 -5.4450 -5.4439 -5.1665 -5.1637 -0.1933 -0.1636 1.6735 1.7105 1.8470 1.8674 6.7352 6.7382 7.9282 7.9458 7.9520 7.9649 8.2873 8.3083 8.8238 8.8435 8.8596 8.9083 9.4537 9.4658 9.8196 9.8507 10.0543 10.0880 13.0054 13.0132 14.4263 14.4377 14.4683 14.4801 15.1813 15.1855 k = 0.0000 0.5000 0.1006 ( 2680 PWs) bands (ev): -45.6477 -45.6477 -22.3615 -22.3610 -21.7251 -21.7246 -21.6855 -21.6849 -13.7256 -13.7255 -6.3967 -6.3948 -5.4427 -5.4416 -5.1725 -5.1692 -0.1978 -0.1643 1.6693 1.7109 1.8373 1.8591 6.7309 6.7342 7.9132 7.9377 7.9453 7.9566 8.2165 8.2397 8.8277 8.8365 8.8734 8.9067 9.5302 9.5395 9.7798 9.8111 10.0340 10.0675 13.0427 13.0511 14.4275 14.4405 14.4685 14.4821 15.2225 15.2269 k = 0.0000 0.5000 0.1131 ( 2682 PWs) bands (ev): -45.6476 -45.6476 -22.3619 -22.3614 -21.7253 -21.7248 -21.6863 -21.6856 -13.7234 -13.7233 -6.3836 -6.3815 -5.4403 -5.4390 -5.1791 -5.1755 -0.2024 -0.1655 1.6649 1.7107 1.8273 1.8497 6.7263 6.7299 7.8882 7.9151 7.9443 7.9507 8.1515 8.1773 8.8137 8.8171 8.9022 8.9210 9.6040 9.6116 9.7407 9.7731 10.0102 10.0434 13.0844 13.0933 14.4293 14.4442 14.4689 14.4845 15.2655 15.2700 k = 0.0000 0.5000 0.1257 ( 2686 PWs) bands (ev): -45.6476 -45.6476 -22.3624 -22.3618 -21.7257 -21.7251 -21.6871 -21.6863 -13.7209 -13.7209 -6.3691 -6.3667 -5.4376 -5.4362 -5.1863 -5.1824 -0.2072 -0.1672 1.6601 1.7096 1.8174 1.8395 6.7215 6.7251 7.8525 7.8810 7.9425 7.9462 8.0949 8.1222 8.7888 8.7957 8.9341 8.9461 9.6684 9.6801 9.7062 9.7430 9.9836 10.0165 13.1299 13.1392 14.4317 14.4488 14.4695 14.4873 15.3092 15.3138 k = 0.0000 0.5000 0.1383 ( 2678 PWs) bands (ev): -45.6476 -45.6476 -22.3628 -22.3622 -21.7260 -21.7253 -21.6879 -21.6871 -13.7183 -13.7183 -6.3533 -6.3507 -5.4348 -5.4333 -5.1941 -5.1898 -0.2121 -0.1692 1.6548 1.7075 1.8081 1.8288 6.7164 6.7201 7.8067 7.8349 7.9391 7.9415 8.0484 8.0749 8.7613 8.7693 8.9685 8.9769 9.6637 9.6832 9.7539 9.7656 9.9546 9.9875 13.1790 13.1886 14.4346 14.4543 14.4703 14.4908 15.3528 15.3576 k = 0.0000 0.5000 0.1508 ( 2670 PWs) bands (ev): -45.6475 -45.6475 -22.3633 -22.3626 -21.7264 -21.7257 -21.6887 -21.6878 -13.7155 -13.7155 -6.3364 -6.3335 -5.4319 -5.4303 -5.2023 -5.1978 -0.2172 -0.1716 1.6489 1.7041 1.7997 1.8177 6.7111 6.7149 7.7527 7.7787 7.9312 7.9352 8.0123 8.0348 8.7318 8.7399 9.0051 9.0112 9.6318 9.6558 9.8214 9.8275 9.9241 9.9574 13.2313 13.2412 14.4380 14.4603 14.4719 14.4950 15.3956 15.4004 k = 0.0000 0.5000 0.1634 ( 2670 PWs) bands (ev): -45.6475 -45.6475 -22.3639 -22.3631 -21.7269 -21.7261 -21.6895 -21.6886 -13.7126 -13.7125 -6.3183 -6.3151 -5.4289 -5.4273 -5.2110 -5.2062 -0.2223 -0.1744 1.6423 1.6992 1.7926 1.8066 6.7056 6.7095 7.6929 7.7160 7.9147 7.9236 7.9873 8.0026 8.7005 8.7084 9.0437 9.0482 9.6026 9.6278 9.8816 9.8911 9.8939 9.9311 13.2864 13.2964 14.4417 14.4655 14.4756 14.5003 15.4369 15.4418 k = 0.0000 0.5000 0.1760 ( 2670 PWs) bands (ev): -45.6474 -45.6474 -22.3644 -22.3637 -21.7274 -21.7265 -21.6904 -21.6895 -13.7094 -13.7094 -6.2991 -6.2956 -5.4259 -5.4242 -5.2201 -5.2151 -0.2275 -0.1776 1.6347 1.6926 1.7871 1.7957 6.7000 6.7038 7.6296 7.6498 7.8868 7.9009 7.9735 7.9814 8.6678 8.6751 9.0838 9.0873 9.5770 9.6028 9.8605 9.8859 9.9552 9.9594 13.3438 13.3539 14.4456 14.4683 14.4832 14.5068 15.4762 15.4811 k = 0.0000 0.5000 0.1885 ( 2676 PWs) bands (ev): -45.6474 -45.6474 -22.3650 -22.3642 -21.7279 -21.7271 -21.6913 -21.6904 -13.7062 -13.7062 -6.2790 -6.2752 -5.4229 -5.4211 -5.2295 -5.2243 -0.2327 -0.1811 1.6260 1.6844 1.7831 1.7855 6.6943 6.6980 7.5647 7.5823 7.8497 7.8659 7.9666 7.9705 8.6338 8.6406 9.1248 9.1285 9.5550 9.5814 9.8293 9.8571 10.0167 10.0177 13.4031 13.4132 14.4493 14.4697 14.4935 14.5148 15.5132 15.5182 k = 0.0000 0.5000 0.2011 ( 2674 PWs) bands (ev): -45.6473 -45.6473 -22.3656 -22.3648 -21.7285 -21.7276 -21.6921 -21.6912 -13.7028 -13.7028 -6.2581 -6.2539 -5.4200 -5.4181 -5.2392 -5.2338 -0.2379 -0.1850 1.6163 1.6748 1.7762 1.7807 6.6884 6.6921 7.4994 7.5146 7.8064 7.8225 7.9631 7.9652 8.5989 8.6051 9.1663 9.1715 9.5365 9.5632 9.7997 9.8278 10.0753 10.0758 13.4640 13.4740 14.4528 14.4707 14.5057 14.5244 15.5477 15.5526 k = 0.0000 0.5000 0.2137 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3662 -22.3654 -21.7292 -21.7282 -21.6930 -21.6920 -13.6994 -13.6994 -6.2364 -6.2319 -5.4171 -5.4152 -5.2489 -5.2435 -0.2430 -0.1892 1.6054 1.6638 1.7682 1.7794 6.6824 6.6859 7.4344 7.4478 7.7582 7.7735 7.9609 7.9624 8.5632 8.5689 9.2081 9.2158 9.5205 9.5473 9.7727 9.8009 10.1307 10.1322 13.5259 13.5359 14.4561 14.4716 14.5195 14.5358 15.5794 15.5843 k = 0.0000 0.5000 0.2262 ( 2670 PWs) bands (ev): -45.6472 -45.6472 -22.3669 -22.3660 -21.7298 -21.7289 -21.6938 -21.6928 -13.6958 -13.6958 -6.2140 -6.2092 -5.4145 -5.4125 -5.2588 -5.2533 -0.2481 -0.1936 1.5936 1.6517 1.7617 1.7790 6.6762 6.6796 7.3705 7.3822 7.7061 7.7203 7.9596 7.9608 8.5271 8.5322 9.2500 9.2609 9.5062 9.5326 9.7496 9.7780 10.1836 10.1858 13.5886 13.5985 14.4590 14.4725 14.5347 14.5489 15.6083 15.6133 k = 0.0000 0.5000 0.2388 ( 2674 PWs) bands (ev): -45.6472 -45.6472 -22.3675 -22.3667 -21.7306 -21.7296 -21.6945 -21.6936 -13.6923 -13.6922 -6.1911 -6.1859 -5.4122 -5.4101 -5.2687 -5.2632 -0.2530 -0.1983 1.5811 1.6387 1.7566 1.7794 6.6698 6.6730 7.3080 7.3182 7.6508 7.6640 7.9586 7.9597 8.4907 8.4953 9.2916 9.3066 9.4922 9.5175 9.7315 9.7604 10.2337 10.2365 13.6516 13.6614 14.4616 14.4733 14.5513 14.5637 15.6345 15.6395 k = 0.0000 0.5000 0.2514 ( 2668 PWs) bands (ev): -45.6471 -45.6471 -22.3682 -22.3673 -21.7313 -21.7303 -21.6952 -21.6943 -13.6886 -13.6886 -6.1678 -6.1622 -5.4101 -5.4078 -5.2785 -5.2731 -0.2579 -0.2032 1.5680 1.6249 1.7530 1.7803 6.6630 6.6661 7.2473 7.2562 7.5932 7.6053 7.9580 7.9590 8.4542 8.4584 9.3324 9.3523 9.4773 9.5010 9.7194 9.7496 10.2810 10.2843 13.7146 13.7242 14.4639 14.4741 14.5692 14.5800 15.6581 15.6630 k = 0.0000 0.5000 0.2640 ( 2668 PWs) bands (ev): -45.6471 -45.6471 -22.3688 -22.3680 -21.7322 -21.7311 -21.6959 -21.6949 -13.6850 -13.6850 -6.1442 -6.1383 -5.4085 -5.4059 -5.2881 -5.2829 -0.2625 -0.2083 1.5546 1.6106 1.7508 1.7816 6.6559 6.6588 7.1886 7.1964 7.5340 7.5449 7.9574 7.9585 8.4180 8.4218 9.3714 9.3976 9.4606 9.4832 9.7135 9.7462 10.3254 10.3292 13.7771 13.7866 14.4659 14.4749 14.5883 14.5978 15.6791 15.6841 k = 0.0000 0.5000 0.2765 ( 2666 PWs) bands (ev): -45.6470 -45.6470 -22.3694 -22.3686 -21.7330 -21.7320 -21.6965 -21.6956 -13.6814 -13.6814 -6.1204 -6.1141 -5.4074 -5.4042 -5.2974 -5.2926 -0.2670 -0.2136 1.5412 1.5959 1.7497 1.7832 6.6483 6.6510 7.1323 7.1390 7.4740 7.4839 7.9570 7.9581 8.3822 8.3855 9.4048 9.4360 9.4481 9.4679 9.7136 9.7500 10.3670 10.3712 13.8389 13.8482 14.4678 14.4757 14.6085 14.6169 15.6977 15.7027 k = 0.0000 0.5000 0.2891 ( 2666 PWs) bands (ev): -45.6470 -45.6470 -22.3701 -22.3693 -21.7339 -21.7328 -21.6971 -21.6962 -13.6778 -13.6778 -6.0966 -6.0900 -5.4069 -5.4029 -5.3063 -5.3020 -0.2713 -0.2189 1.5280 1.5811 1.7497 1.7850 6.6401 6.6426 7.0785 7.0843 7.4141 7.4229 7.9567 7.9578 8.3470 8.3500 9.4147 9.4192 9.4731 9.4882 9.7190 9.7599 10.4058 10.4102 13.8997 13.9087 14.4695 14.4765 14.6296 14.6370 15.7141 15.7190 k = 0.0000 0.5000 0.3017 ( 2664 PWs) bands (ev): -45.6469 -45.6469 -22.3707 -22.3699 -21.7347 -21.7337 -21.6976 -21.6967 -13.6743 -13.6743 -6.0729 -6.0659 -5.4069 -5.4020 -5.3148 -5.3111 -0.2753 -0.2243 1.5150 1.5664 1.7505 1.7870 6.6311 6.6334 7.0274 7.0325 7.3550 7.3627 7.9564 7.9576 8.3126 8.3153 9.3965 9.3985 9.5027 9.5310 9.7289 9.7747 10.4418 10.4464 13.9590 13.9678 14.4710 14.4773 14.6513 14.6580 15.7285 15.7333 k = 0.0000 0.5000 0.3142 ( 2662 PWs) bands (ev): -45.6469 -45.6469 -22.3713 -22.3705 -21.7356 -21.7346 -21.6980 -21.6972 -13.6709 -13.6709 -6.0494 -6.0422 -5.4075 -5.4014 -5.3229 -5.3197 -0.2790 -0.2298 1.5025 1.5518 1.7520 1.7890 6.6211 6.6233 6.9794 6.9837 7.2974 7.3041 7.9561 7.9573 8.2792 8.2816 9.3732 9.3757 9.5369 9.5723 9.7425 9.7929 10.4750 10.4798 14.0166 14.0252 14.4724 14.4780 14.6737 14.6796 15.7410 15.7458 k = 0.0000 0.5000 0.3268 ( 2656 PWs) bands (ev): -45.6468 -45.6468 -22.3719 -22.3711 -21.7364 -21.7355 -21.6984 -21.6976 -13.6676 -13.6676 -6.0263 -6.0188 -5.4088 -5.4012 -5.3307 -5.3277 -0.2825 -0.2352 1.4905 1.5376 1.7541 1.7910 6.6100 6.6121 6.9344 6.9382 7.2421 7.2477 7.9559 7.9572 8.2470 8.2492 9.3498 9.3518 9.5710 9.6117 9.7591 9.8135 10.5055 10.5103 14.0722 14.0805 14.4737 14.4788 14.6963 14.7016 15.7518 15.7565 k = 0.0000 0.5000 0.3394 ( 2658 PWs) bands (ev): -45.6468 -45.6468 -22.3725 -22.3717 -21.7373 -21.7364 -21.6988 -21.6980 -13.6644 -13.6644 -6.0038 -5.9960 -5.4106 -5.4014 -5.3383 -5.3350 -0.2856 -0.2406 1.4793 1.5238 1.7567 1.7929 6.5976 6.5995 6.8928 6.8963 7.1897 7.1943 7.9557 7.9570 8.2161 8.2182 9.3266 9.3282 9.6041 9.6487 9.7780 9.8355 10.5334 10.5382 14.1254 14.1334 14.4749 14.4796 14.7189 14.7237 15.7611 15.7656 k = 0.0000 0.5000 0.3519 ( 2652 PWs) bands (ev): -45.6468 -45.6468 -22.3730 -22.3723 -21.7381 -21.7373 -21.6990 -21.6984 -13.6613 -13.6613 -5.9819 -5.9739 -5.4128 -5.4018 -5.3457 -5.3414 -0.2884 -0.2459 1.4687 1.5106 1.7597 1.7948 6.5837 6.5856 6.8546 6.8581 7.1408 7.1445 7.9555 7.9568 8.1869 8.1888 9.3043 9.3054 9.6356 9.6828 9.7988 9.8581 10.5588 10.5634 14.1761 14.1838 14.4760 14.4803 14.7414 14.7457 15.7689 15.7733 k = 0.0000 0.5000 0.3645 ( 2654 PWs) bands (ev): -45.6467 -45.6467 -22.3735 -22.3728 -21.7390 -21.7382 -21.6993 -21.6987 -13.6585 -13.6584 -5.9609 -5.9528 -5.4154 -5.4025 -5.3529 -5.3472 -0.2909 -0.2511 1.4591 1.4980 1.7629 1.7965 6.5683 6.5703 6.8199 6.8236 7.0958 7.0986 7.9553 7.9567 8.1593 8.1611 9.2830 9.2838 9.6654 9.7137 9.8211 9.8806 10.5816 10.5862 14.2238 14.2312 14.4770 14.4811 14.7634 14.7673 15.7756 15.7798 k = 0.0000 0.5000 0.3771 ( 2658 PWs) bands (ev): -45.6467 -45.6467 -22.3740 -22.3734 -21.7397 -21.7390 -21.6996 -21.6990 -13.6558 -13.6557 -5.9408 -5.9328 -5.4180 -5.4034 -5.3598 -5.3525 -0.2930 -0.2562 1.4502 1.4861 1.7663 1.7980 6.5517 6.5537 6.7888 6.7927 7.0552 7.0572 7.9551 7.9566 8.1335 8.1353 9.2631 9.2636 9.6934 9.7412 9.8443 9.9025 10.6021 10.6064 14.2684 14.2754 14.4779 14.4818 14.7847 14.7882 15.7812 15.7851 k = 0.0000 0.5000 0.3896 ( 2656 PWs) bands (ev): -45.6466 -45.6466 -22.3744 -22.3739 -21.7404 -21.7398 -21.6998 -21.6993 -13.6532 -13.6532 -5.9220 -5.9140 -5.4206 -5.4043 -5.3664 -5.3575 -0.2947 -0.2610 1.4424 1.4751 1.7698 1.7993 6.5342 6.5361 6.7612 6.7652 7.0191 7.0204 7.9550 7.9565 8.1098 8.1115 9.2446 9.2451 9.7195 9.7652 9.8679 9.9232 10.6203 10.6244 14.3095 14.3162 14.4787 14.4826 14.8050 14.8081 15.7858 15.7895 k = 0.0000 0.5000 0.4022 ( 2658 PWs) bands (ev): -45.6466 -45.6466 -22.3748 -22.3743 -21.7411 -21.7405 -21.7000 -21.6995 -13.6510 -13.6510 -5.9044 -5.8967 -5.4228 -5.4050 -5.3728 -5.3623 -0.2961 -0.2657 1.4354 1.4648 1.7734 1.8004 6.5162 6.5180 6.7368 6.7409 6.9878 6.9885 7.9548 7.9564 8.0881 8.0899 9.2278 9.2282 9.7434 9.7859 9.8911 9.9424 10.6363 10.6401 14.3470 14.3534 14.4794 14.4834 14.8241 14.8268 15.7896 15.7930 k = 0.0000 0.5000 0.4148 ( 2660 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3748 -21.7417 -21.7412 -21.7001 -21.6997 -13.6489 -13.6489 -5.8883 -5.8810 -5.4247 -5.4056 -5.3790 -5.3669 -0.2970 -0.2701 1.4295 1.4555 1.7770 1.8012 6.4984 6.5001 6.7155 6.7194 6.9610 6.9615 7.9547 7.9563 8.0687 8.0705 9.2128 9.2131 9.7651 9.8035 9.9135 9.9596 10.6502 10.6537 14.3805 14.3867 14.4801 14.4844 14.8416 14.8439 15.7926 15.7957 k = 0.0000 0.5000 0.4274 ( 2660 PWs) bands (ev): -45.6466 -45.6466 -22.3755 -22.3751 -21.7422 -21.7418 -21.7002 -21.6999 -13.6471 -13.6471 -5.8739 -5.8671 -5.4259 -5.4059 -5.3848 -5.3714 -0.2976 -0.2743 1.4246 1.4470 1.7805 1.8016 6.4815 6.4829 6.6971 6.7007 6.9388 6.9390 7.9546 7.9563 8.0517 8.0534 9.1996 9.1999 9.7846 9.8182 9.9343 9.9746 10.6621 10.6652 14.4096 14.4159 14.4807 14.4855 14.8573 14.8593 15.7951 15.7978 k = 0.0000 0.5000 0.4399 ( 2668 PWs) bands (ev): -45.6466 -45.6466 -22.3758 -22.3755 -21.7427 -21.7423 -21.7004 -21.7001 -13.6455 -13.6455 -5.8612 -5.8552 -5.4264 -5.4060 -5.3904 -5.3758 -0.2978 -0.2782 1.4207 1.4396 1.7838 1.8017 6.4660 6.4673 6.6815 6.6847 6.9207 6.9209 7.9546 7.9563 8.0371 8.0388 9.1884 9.1887 9.8017 9.8301 9.9531 9.9872 10.6721 10.6747 14.4340 14.4407 14.4813 14.4872 14.8710 14.8728 15.7970 15.7994 k = 0.0000 0.5000 0.4525 ( 2664 PWs) bands (ev): -45.6465 -45.6465 -22.3760 -22.3757 -21.7431 -21.7427 -21.7004 -21.7002 -13.6443 -13.6443 -5.8505 -5.8454 -5.4261 -5.4059 -5.3953 -5.3800 -0.2975 -0.2817 1.4179 1.4330 1.7869 1.8015 6.4527 6.4537 6.6686 6.6713 6.9065 6.9068 7.9547 7.9562 8.0251 8.0267 9.1791 9.1794 9.8163 9.8392 9.9695 9.9971 10.6802 10.6823 14.4530 14.4608 14.4824 14.4897 14.8826 14.8840 15.7986 15.8005 k = 0.0000 0.5000 0.4651 ( 2666 PWs) bands (ev): -45.6465 -45.6465 -22.3762 -22.3760 -21.7433 -21.7431 -21.7005 -21.7003 -13.6433 -13.6433 -5.8418 -5.8378 -5.4250 -5.4068 -5.3985 -5.3841 -0.2969 -0.2850 1.4161 1.4275 1.7899 1.8009 6.4418 6.4426 6.6586 6.6606 6.8959 6.8962 7.9548 7.9561 8.0157 8.0171 9.1719 9.1721 9.8284 9.8457 9.9834 10.0042 10.6865 10.6881 14.4658 14.4739 14.4857 14.4938 14.8918 14.8929 15.7998 15.8012 k = 0.0000 0.5000 0.4776 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3763 -22.3761 -21.7435 -21.7434 -21.7005 -21.7004 -13.6425 -13.6425 -5.8353 -5.8325 -5.4232 -5.4096 -5.3989 -5.3880 -0.2959 -0.2879 1.4154 1.4230 1.7925 1.7999 6.4338 6.4343 6.6515 6.6528 6.8886 6.8888 7.9550 7.9560 8.0090 8.0101 9.1668 9.1669 9.8379 9.8495 9.9944 10.0083 10.6910 10.6921 14.4728 14.4779 14.4937 14.4988 14.8986 14.8993 15.8006 15.8016 k = 0.0000 0.5000 0.4902 ( 2676 PWs) bands (ev): -45.6465 -45.6465 -22.3764 -22.3763 -21.7437 -21.7436 -21.7005 -21.7005 -13.6421 -13.6421 -5.8311 -5.8297 -5.4205 -5.4135 -5.3972 -5.3915 -0.2944 -0.2905 1.4157 1.4195 1.7949 1.7986 6.4290 6.4292 6.6473 6.6480 6.8843 6.8844 7.9553 7.9558 8.0051 8.0057 9.1637 9.1637 9.8448 9.8506 10.0024 10.0094 10.6938 10.6944 14.4762 14.4784 14.5005 14.5027 14.9027 14.9031 15.8012 15.8017 k = 0.0000 0.5000 0.5028 ( 2672 PWs) bands (ev): -45.6465 -45.6465 -22.3763 -22.3763 -21.7437 -21.7437 -21.7005 -21.7005 -13.6419 -13.6419 -5.8292 -5.8292 -5.4172 -5.4172 -5.3947 -5.3947 -0.2926 -0.2926 1.4171 1.4171 1.7969 1.7969 6.4275 6.4275 6.6461 6.6461 6.8830 6.8830 7.9556 7.9556 8.0040 8.0040 9.1627 9.1627 9.8491 9.8491 10.0075 10.0075 10.6950 10.6950 14.4778 14.4778 14.5035 14.5035 14.9042 14.9042 15.8016 15.8016 k = 0.0000 0.5000 0.5028 ( 2672 PWs) bands (ev): -45.6465 -45.6465 -22.3763 -22.3763 -21.7437 -21.7437 -21.7005 -21.7005 -13.6419 -13.6419 -5.8292 -5.8292 -5.4172 -5.4172 -5.3947 -5.3947 -0.2926 -0.2926 1.4171 1.4171 1.7969 1.7969 6.4275 6.4275 6.6461 6.6461 6.8830 6.8830 7.9556 7.9556 8.0040 8.0040 9.1627 9.1627 9.8491 9.8491 10.0075 10.0075 10.6950 10.6950 14.4778 14.4778 14.5035 14.5035 14.9042 14.9042 15.8016 15.8016 k = 0.0125 0.5000 0.5028 ( 2672 PWs) bands (ev): -45.6465 -45.6465 -22.3764 -22.3763 -21.7437 -21.7437 -21.7006 -21.7005 -13.6418 -13.6418 -5.8285 -5.8282 -5.4170 -5.4169 -5.3945 -5.3944 -0.2948 -0.2929 1.4157 1.4157 1.7933 1.7958 6.4275 6.4275 6.6493 6.6495 6.8830 6.8830 7.9565 7.9565 8.0049 8.0054 9.1580 9.1583 9.8500 9.8500 10.0078 10.0081 10.6951 10.6951 14.4777 14.4790 14.5042 14.5044 14.9046 14.9046 15.8065 15.8074 k = 0.0250 0.5000 0.5028 ( 2672 PWs) bands (ev): -45.6465 -45.6465 -22.3765 -22.3763 -21.7437 -21.7436 -21.7008 -21.7006 -13.6415 -13.6415 -5.8262 -5.8255 -5.4161 -5.4160 -5.3938 -5.3935 -0.2993 -0.2955 1.4116 1.4116 1.7849 1.7898 6.4276 6.4276 6.6590 6.6594 6.8831 6.8831 7.9592 7.9593 8.0081 8.0091 9.1445 9.1451 9.8527 9.8528 10.0092 10.0096 10.6954 10.6954 14.4787 14.4812 14.5065 14.5068 14.9056 14.9057 15.8219 15.8237 k = 0.0374 0.5000 0.5028 ( 2674 PWs) bands (ev): -45.6465 -45.6465 -22.3767 -22.3764 -21.7436 -21.7436 -21.7012 -21.7009 -13.6409 -13.6409 -5.8222 -5.8213 -5.4146 -5.4145 -5.3926 -5.3922 -0.3062 -0.3004 1.4048 1.4048 1.7719 1.7792 6.4278 6.4278 6.6751 6.6757 6.8832 6.8833 7.9636 7.9638 8.0137 8.0151 9.1224 9.1232 9.8573 9.8575 10.0116 10.0122 10.6959 10.6960 14.4809 14.4846 14.5105 14.5108 14.9075 14.9076 15.8477 15.8503 k = 0.0499 0.5000 0.5028 ( 2672 PWs) bands (ev): -45.6465 -45.6465 -22.3768 -22.3765 -21.7436 -21.7436 -21.7016 -21.7012 -13.6402 -13.6402 -5.8166 -5.8154 -5.4126 -5.4124 -5.3909 -5.3904 -0.3153 -0.3077 1.3953 1.3954 1.7544 1.7641 6.4280 6.4281 6.6974 6.6982 6.8834 6.8835 7.9694 7.9698 8.0216 8.0235 9.0921 9.0931 9.8638 9.8640 10.0151 10.0158 10.6967 10.6967 14.4843 14.4890 14.5160 14.5165 14.9100 14.9102 15.8833 15.8866 k = 0.0624 0.5000 0.5028 ( 2670 PWs) bands (ev): -45.6465 -45.6465 -22.3770 -22.3766 -21.7436 -21.7436 -21.7022 -21.7017 -13.6392 -13.6392 -5.8094 -5.8079 -5.4100 -5.4097 -5.3887 -5.3881 -0.3267 -0.3173 1.3833 1.3833 1.7326 1.7446 6.4283 6.4284 6.7257 6.7265 6.8836 6.8838 7.9763 7.9769 8.0319 8.0342 9.0542 9.0554 9.8721 9.8724 10.0195 10.0203 10.6977 10.6977 14.4890 14.4945 14.5233 14.5238 14.9133 14.9135 15.9282 15.9322 k = 0.0749 0.5000 0.5028 ( 2670 PWs) bands (ev): -45.6464 -45.6464 -22.3773 -22.3768 -21.7435 -21.7435 -21.7029 -21.7024 -13.6380 -13.6380 -5.8006 -5.7988 -5.4068 -5.4065 -5.3861 -5.3853 -0.3402 -0.3290 1.3688 1.3689 1.7069 1.7210 6.4286 6.4287 6.7597 6.7604 6.8839 6.8841 7.9838 7.9848 8.0446 8.0472 9.0094 9.0107 9.8822 9.8825 10.0251 10.0260 10.6989 10.6989 14.4950 14.5013 14.5323 14.5328 14.9172 14.9175 15.9816 15.9861 k = 0.0874 0.5000 0.5028 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3776 -22.3770 -21.7435 -21.7434 -21.7037 -21.7031 -13.6366 -13.6365 -5.7904 -5.7882 -5.4030 -5.4027 -5.3830 -5.3821 -0.3558 -0.3429 1.3519 1.3520 1.6776 1.6937 6.4290 6.4291 6.7990 6.7993 6.8843 6.8846 7.9918 7.9933 8.0594 8.0623 8.9585 8.9599 9.8942 9.8945 10.0318 10.0327 10.7002 10.7003 14.5025 14.5093 14.5429 14.5433 14.9219 14.9221 16.0429 16.0478 k = 0.0998 0.5000 0.5028 ( 2670 PWs) bands (ev): -45.6464 -45.6464 -22.3779 -22.3773 -21.7434 -21.7434 -21.7046 -21.7039 -13.6350 -13.6349 -5.7787 -5.7762 -5.3987 -5.3984 -5.3794 -5.3784 -0.3732 -0.3588 1.3329 1.3330 1.6449 1.6629 6.4294 6.4295 6.8427 6.8431 6.8847 6.8856 7.9998 8.0018 8.0761 8.0794 8.9025 8.9039 9.9081 9.9084 10.0397 10.0406 10.7018 10.7019 14.5115 14.5187 14.5551 14.5554 14.9271 14.9274 16.1111 16.1163 k = 0.1123 0.5000 0.5028 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3783 -22.3776 -21.7433 -21.7433 -21.7056 -21.7048 -13.6332 -13.6332 -5.7655 -5.7627 -5.3939 -5.3936 -5.3754 -5.3743 -0.3925 -0.3766 1.3117 1.3119 1.6092 1.6290 6.4297 6.4298 6.8809 6.8851 6.8918 6.8960 8.0074 8.0099 8.0943 8.0980 8.8425 8.8438 9.9238 9.9241 10.0489 10.0498 10.7036 10.7037 14.5221 14.5295 14.5688 14.5690 14.9330 14.9333 16.1853 16.1907 k = 0.1248 0.5000 0.5028 ( 2666 PWs) bands (ev): -45.6463 -45.6463 -22.3786 -22.3779 -21.7433 -21.7432 -21.7067 -21.7059 -13.6312 -13.6312 -5.7511 -5.7480 -5.3886 -5.3884 -5.3710 -5.3698 -0.4135 -0.3961 1.2888 1.2889 1.5710 1.5923 6.4300 6.4301 6.8846 6.8856 6.9443 6.9446 8.0141 8.0172 8.1136 8.1178 8.7798 8.7810 9.9414 9.9418 10.0595 10.0603 10.7055 10.7056 14.5342 14.5417 14.5840 14.5841 14.9395 14.9398 16.2647 16.2702 k = 0.1373 0.5000 0.5028 ( 2662 PWs) bands (ev): -45.6463 -45.6463 -22.3790 -22.3783 -21.7431 -21.7431 -21.7079 -21.7070 -13.6291 -13.6291 -5.7354 -5.7319 -5.3829 -5.3827 -5.3661 -5.3649 -0.4360 -0.4173 1.2641 1.2642 1.5305 1.5532 6.4303 6.4304 6.8855 6.8861 6.9996 7.0003 8.0190 8.0226 8.1333 8.1382 8.7160 8.7171 9.9609 9.9613 10.0715 10.0723 10.7076 10.7077 14.5478 14.5554 14.6005 14.6005 14.9465 14.9469 16.3484 16.3539 k = 0.1498 0.5000 0.5028 ( 2664 PWs) bands (ev): -45.6463 -45.6463 -22.3795 -22.3787 -21.7430 -21.7430 -21.7092 -21.7082 -13.6268 -13.6268 -5.7186 -5.7147 -5.3767 -5.3766 -5.3609 -5.3597 -0.4598 -0.4399 1.2378 1.2380 1.4882 1.5121 6.4304 6.4305 6.8862 6.8867 7.0575 7.0592 8.0212 8.0252 8.1527 8.1586 8.6532 8.6541 9.9824 9.9827 10.0851 10.0858 10.7098 10.7099 14.5629 14.5705 14.6182 14.6183 14.9541 14.9544 16.4353 16.4407 k = 0.1622 0.5000 0.5028 ( 2674 PWs) bands (ev): -45.6462 -45.6462 -22.3800 -22.3791 -21.7430 -21.7429 -21.7106 -21.7095 -13.6244 -13.6244 -5.7006 -5.6965 -5.3702 -5.3701 -5.3554 -5.3541 -0.4849 -0.4639 1.2103 1.2105 1.4444 1.4694 6.4304 6.4305 6.8868 6.8872 7.1177 7.1205 8.0190 8.0233 8.1712 8.1784 8.5941 8.5946 10.0057 10.0060 10.1005 10.1010 10.7122 10.7123 14.5794 14.5869 14.6370 14.6373 14.9621 14.9624 16.5246 16.5299 k = 0.1747 0.5000 0.5028 ( 2676 PWs) bands (ev): -45.6462 -45.6462 -22.3805 -22.3796 -21.7429 -21.7428 -21.7120 -21.7109 -13.6219 -13.6219 -5.6817 -5.6772 -5.3634 -5.3631 -5.3495 -5.3482 -0.5110 -0.4891 1.1815 1.1818 1.3994 1.4253 6.4301 6.4303 6.8875 6.8878 7.1796 7.1837 8.0101 8.0145 8.1879 8.1970 8.5420 8.5421 10.0309 10.0311 10.1175 10.1180 10.7147 10.7148 14.5972 14.6046 14.6570 14.6574 14.9705 14.9708 16.6153 16.6206 k = 0.1872 0.5000 0.5028 ( 2668 PWs) bands (ev): -45.6462 -45.6462 -22.3810 -22.3800 -21.7428 -21.7427 -21.7133 -21.7122 -13.6192 -13.6192 -5.6619 -5.6570 -5.3564 -5.3559 -5.3433 -5.3420 -0.5380 -0.5153 1.1519 1.1522 1.3537 1.3803 6.4297 6.4298 6.8881 6.8884 7.2428 7.2482 7.9920 7.9963 8.2021 8.2135 8.4998 8.5006 10.0578 10.0580 10.1365 10.1368 10.7173 10.7174 14.6163 14.6235 14.6779 14.6784 14.9793 14.9796 16.7066 16.7117 k = 0.1997 0.5000 0.5028 ( 2664 PWs) bands (ev): -45.6461 -45.6461 -22.3815 -22.3805 -21.7426 -21.7426 -21.7148 -21.7136 -13.6165 -13.6165 -5.6414 -5.6361 -5.3492 -5.3483 -5.3368 -5.3356 -0.5657 -0.5423 1.1215 1.1218 1.3075 1.3347 6.4289 6.4291 6.8888 6.8891 7.3064 7.3135 7.9623 7.9663 8.2137 8.2279 8.4707 8.4725 10.0864 10.0866 10.1573 10.1576 10.7200 10.7201 14.6365 14.6434 14.6997 14.7003 14.9884 14.9887 16.7974 16.8023 k = 0.2122 0.5000 0.5028 ( 2664 PWs) bands (ev): -45.6461 -45.6461 -22.3820 -22.3810 -21.7425 -21.7425 -21.7163 -21.7151 -13.6137 -13.6137 -5.6202 -5.6145 -5.3418 -5.3404 -5.3300 -5.3289 -0.5939 -0.5700 1.0906 1.0909 1.2612 1.2887 6.4278 6.4279 6.8894 6.8897 7.3701 7.3788 7.9204 7.9242 8.2233 8.2406 8.4553 8.4581 10.1166 10.1167 10.1801 10.1803 10.7228 10.7229 14.6576 14.6643 14.7222 14.7230 14.9978 14.9981 16.8867 16.8916 k = 0.2246 0.5000 0.5028 ( 2664 PWs) bands (ev): -45.6460 -45.6460 -22.3826 -22.3816 -21.7424 -21.7423 -21.7178 -21.7166 -13.6108 -13.6108 -5.5985 -5.5924 -5.3344 -5.3324 -5.3229 -5.3221 -0.6224 -0.5981 1.0594 1.0597 1.2149 1.2427 6.4262 6.4263 6.8900 6.8903 7.4331 7.4437 7.8681 7.8715 8.2322 8.2523 8.4516 8.4551 10.1483 10.1484 10.2048 10.2050 10.7256 10.7257 14.6796 14.6861 14.7454 14.7463 15.0074 15.0077 16.9736 16.9785 k = 0.2371 0.5000 0.5028 ( 2656 PWs) bands (ev): -45.6460 -45.6460 -22.3831 -22.3821 -21.7423 -21.7422 -21.7193 -21.7180 -13.6079 -13.6079 -5.5764 -5.5699 -5.3269 -5.3242 -5.3156 -5.3152 -0.6511 -0.6266 1.0280 1.0283 1.1691 1.1970 6.4241 6.4243 6.8907 6.8910 7.4945 7.5070 7.8084 7.8116 8.2414 8.2640 8.4561 8.4601 10.1811 10.1812 10.2315 10.2317 10.7285 10.7285 14.7023 14.7085 14.7692 14.7701 15.0172 15.0175 17.0571 17.0619 k = 0.2496 0.5000 0.5028 ( 2656 PWs) bands (ev): -45.6459 -45.6459 -22.3837 -22.3826 -21.7422 -21.7421 -21.7208 -21.7195 -13.6050 -13.6050 -5.5541 -5.5471 -5.3195 -5.3159 -5.3081 -5.3080 -0.6798 -0.6552 0.9967 0.9970 1.1240 1.1517 6.4214 6.4216 6.8913 6.8916 7.5524 7.5668 7.7460 7.7486 8.2514 8.2765 8.4658 8.4701 10.2150 10.2151 10.2601 10.2602 10.7314 10.7314 14.7255 14.7314 14.7933 14.7942 15.0271 15.0273 17.1359 17.1409 k = 0.2621 0.5000 0.5028 ( 2654 PWs) bands (ev): -45.6459 -45.6459 -22.3842 -22.3832 -21.7421 -21.7420 -21.7223 -21.7211 -13.6021 -13.6021 -5.5316 -5.5242 -5.3121 -5.3076 -5.3010 -5.3003 -0.7083 -0.6838 0.9656 0.9659 1.0798 1.1072 6.4181 6.4182 6.8919 6.8921 7.5982 7.6107 7.6932 7.6947 8.2625 8.2899 8.4783 8.4827 10.2497 10.2498 10.2904 10.2906 10.7343 10.7343 14.7491 14.7548 14.8176 14.8186 15.0370 15.0373 17.2091 17.2145 k = 0.2746 0.5000 0.5028 ( 2654 PWs) bands (ev): -45.6458 -45.6458 -22.3848 -22.3837 -21.7419 -21.7418 -21.7239 -21.7226 -13.5992 -13.5992 -5.5092 -5.5012 -5.3049 -5.2993 -5.2938 -5.2925 -0.7364 -0.7121 0.9349 0.9352 1.0367 1.0637 6.4139 6.4141 6.8924 6.8927 7.5838 7.5848 7.6948 7.7103 8.2748 8.3045 8.4921 8.4967 10.2850 10.2852 10.3223 10.3225 10.7372 10.7372 14.7730 14.7784 14.8421 14.8431 15.0470 15.0472 17.2757 17.2816 k = 0.2870 0.5000 0.5028 ( 2660 PWs) bands (ev): -45.6458 -45.6458 -22.3853 -22.3843 -21.7418 -21.7417 -21.7254 -21.7241 -13.5963 -13.5963 -5.4869 -5.4784 -5.2979 -5.2911 -5.2865 -5.2847 -0.7640 -0.7401 0.9048 0.9052 0.9949 1.0213 6.4089 6.4090 6.8929 6.8932 7.5229 7.5243 7.7392 7.7594 8.2885 8.3204 8.5063 8.5110 10.3206 10.3208 10.3556 10.3559 10.7400 10.7401 14.7970 14.8021 14.8666 14.8676 15.0569 15.0571 17.3347 17.3414 k = 0.2995 0.5000 0.5028 ( 2660 PWs) bands (ev): -45.6458 -45.6458 -22.3859 -22.3849 -21.7417 -21.7416 -21.7268 -21.7256 -13.5935 -13.5935 -5.4650 -5.4559 -5.2910 -5.2831 -5.2792 -5.2768 -0.7910 -0.7675 0.8755 0.8758 0.9546 0.9803 6.4030 6.4031 6.8933 6.8936 7.4582 7.4600 7.7869 7.8096 8.3038 8.3375 8.5203 8.5250 10.3563 10.3567 10.3899 10.3902 10.7428 10.7429 14.8209 14.8257 14.8909 14.8918 15.0667 15.0669 17.3855 17.3933 k = 0.3120 0.5000 0.5028 ( 2658 PWs) bands (ev): -45.6457 -45.6457 -22.3864 -22.3854 -21.7416 -21.7415 -21.7282 -21.7270 -13.5907 -13.5907 -5.4435 -5.4339 -5.2843 -5.2754 -5.2718 -5.2691 -0.8170 -0.7942 0.8471 0.8475 0.9160 0.9409 6.3960 6.3961 6.8936 6.8939 7.3951 7.3969 7.8322 7.8569 8.3207 8.3560 8.5337 8.5385 10.3920 10.3924 10.4248 10.4252 10.7456 10.7457 14.8446 14.8491 14.9148 14.9157 15.0764 15.0766 17.4278 17.4369 k = 0.3245 0.5000 0.5028 ( 2652 PWs) bands (ev): -45.6457 -45.6457 -22.3868 -22.3859 -21.7415 -21.7414 -21.7295 -21.7283 -13.5880 -13.5880 -5.4226 -5.4124 -5.2778 -5.2681 -5.2643 -5.2615 -0.8421 -0.8201 0.8198 0.8201 0.8793 0.9032 6.3879 6.3880 6.8939 6.8941 7.3350 7.3368 7.8739 7.9000 8.3393 8.3757 8.5463 8.5511 10.4274 10.4279 10.4600 10.4605 10.7482 10.7484 14.8679 14.8721 14.9382 14.9391 15.0859 15.0861 17.4616 17.4724 k = 0.3370 0.5000 0.5028 ( 2650 PWs) bands (ev): -45.6456 -45.6456 -22.3873 -22.3864 -21.7414 -21.7413 -21.7308 -21.7296 -13.5854 -13.5854 -5.4024 -5.3916 -5.2716 -5.2612 -5.2569 -5.2541 -0.8660 -0.8450 0.7937 0.7940 0.8446 0.8673 6.3788 6.3788 6.8940 6.8942 7.2787 7.2805 7.9115 7.9383 8.3597 8.3966 8.5579 8.5628 10.4624 10.4629 10.4950 10.4955 10.7508 10.7510 14.8906 14.8946 14.9610 14.9617 15.0952 15.0954 17.4875 17.5001 k = 0.3494 0.5000 0.5028 ( 2646 PWs) bands (ev): -45.6456 -45.6456 -22.3878 -22.3869 -21.7413 -21.7412 -21.7320 -21.7308 -13.5830 -13.5830 -5.3832 -5.3718 -5.2657 -5.2547 -5.2496 -5.2470 -0.8887 -0.8687 0.7689 0.7693 0.8120 0.8335 6.3685 6.3686 6.8939 6.8942 7.2268 7.2285 7.9448 7.9717 8.3818 8.4184 8.5684 8.5734 10.4965 10.4971 10.5294 10.5300 10.7532 10.7535 14.9126 14.9163 14.9828 14.9834 15.1042 15.1044 17.5062 17.5209 k = 0.3619 0.5000 0.5028 ( 2642 PWs) bands (ev): -45.6456 -45.6456 -22.3882 -22.3874 -21.7412 -21.7411 -21.7331 -21.7320 -13.5806 -13.5806 -5.3649 -5.3529 -5.2601 -5.2485 -5.2427 -5.2402 -0.9100 -0.8911 0.7457 0.7460 0.7816 0.8018 6.3574 6.3574 6.8937 6.8940 7.1797 7.1813 7.9739 8.0002 8.4051 8.4408 8.5780 8.5831 10.5297 10.5302 10.5628 10.5634 10.7555 10.7558 14.9337 14.9372 15.0036 15.0041 15.1130 15.1133 17.5189 17.5356 k = 0.3744 0.5000 0.5028 ( 2642 PWs) bands (ev): -45.6455 -45.6455 -22.3886 -22.3878 -21.7412 -21.7410 -21.7341 -21.7331 -13.5785 -13.5785 -5.3478 -5.3352 -5.2548 -5.2426 -5.2361 -5.2338 -0.9297 -0.9122 0.7241 0.7244 0.7536 0.7724 6.3453 6.3453 6.8932 6.8935 7.1376 7.1391 7.9990 8.0240 8.4292 8.4634 8.5866 8.5917 10.5614 10.5619 10.5947 10.5954 10.7577 10.7581 14.9538 14.9570 15.0231 15.0234 15.1215 15.1219 17.5266 17.5452 k = 0.3869 0.5000 0.5028 ( 2640 PWs) bands (ev): -45.6455 -45.6455 -22.3889 -22.3883 -21.7411 -21.7410 -21.7351 -21.7341 -13.5764 -13.5764 -5.3320 -5.3189 -5.2498 -5.2372 -5.2299 -5.2279 -0.9478 -0.9317 0.7041 0.7045 0.7281 0.7453 6.3327 6.3328 6.8925 6.8928 7.1007 7.1020 8.0204 8.0436 8.4534 8.4856 8.5942 8.5994 10.5914 10.5919 10.6249 10.6255 10.7598 10.7602 14.9727 14.9756 15.0411 15.0412 15.1298 15.1303 17.5304 17.5508 k = 0.3994 0.5000 0.5028 ( 2644 PWs) bands (ev): -45.6455 -45.6455 -22.3893 -22.3887 -21.7411 -21.7409 -21.7359 -21.7351 -13.5746 -13.5746 -5.3175 -5.3040 -5.2451 -5.2322 -5.2242 -5.2225 -0.9642 -0.9496 0.6860 0.6864 0.7051 0.7206 6.3199 6.3199 6.8915 6.8917 7.0688 7.0700 8.0385 8.0595 8.4771 8.5068 8.6009 8.6062 10.6194 10.6199 10.6529 10.6536 10.7617 10.7621 14.9902 14.9927 15.0573 15.0573 15.1379 15.1384 17.5313 17.5531 k = 0.4118 0.5000 0.5028 ( 2646 PWs) bands (ev): -45.6454 -45.6454 -22.3896 -22.3890 -21.7411 -21.7409 -21.7367 -21.7359 -13.5729 -13.5729 -5.3045 -5.2909 -5.2406 -5.2276 -5.2190 -5.2176 -0.9788 -0.9657 0.6698 0.6702 0.6847 0.6985 6.3072 6.3072 6.8901 6.8903 7.0420 7.0431 8.0536 8.0721 8.4996 8.5265 8.6068 8.6122 10.6450 10.6454 10.6784 10.6792 10.7634 10.7640 15.0061 15.0084 15.0715 15.0716 15.1456 15.1462 17.5302 17.5529 k = 0.4243 0.5000 0.5028 ( 2648 PWs) bands (ev): -45.6454 -45.6454 -22.3899 -22.3894 -21.7411 -21.7409 -21.7373 -21.7366 -13.5715 -13.5715 -5.2929 -5.2796 -5.2364 -5.2236 -5.2145 -5.2133 -0.9915 -0.9801 0.6556 0.6560 0.6669 0.6791 6.2950 6.2950 6.8884 6.8886 7.0200 7.0209 8.0661 8.0821 8.5203 8.5441 8.6121 8.6174 10.6679 10.6683 10.7012 10.7020 10.7650 10.7657 15.0203 15.0223 15.0836 15.0839 15.1530 15.1536 17.5277 17.5507 k = 0.4368 0.5000 0.5028 ( 2644 PWs) bands (ev): -45.6454 -45.6454 -22.3901 -22.3896 -21.7411 -21.7410 -21.7378 -21.7372 -13.5702 -13.5702 -5.2829 -5.2703 -5.2322 -5.2202 -5.2105 -5.2096 -1.0022 -0.9925 0.6435 0.6440 0.6519 0.6623 6.2837 6.2838 6.8864 6.8866 7.0026 7.0033 8.0763 8.0897 8.5387 8.5592 8.6169 8.6219 10.6878 10.6881 10.7209 10.7218 10.7665 10.7673 15.0327 15.0344 15.0937 15.0941 15.1599 15.1605 17.5247 17.5469 k = 0.4493 0.5000 0.5028 ( 2632 PWs) bands (ev): -45.6454 -45.6454 -22.3902 -22.3898 -21.7411 -21.7410 -21.7381 -21.7376 -13.5692 -13.5692 -5.2745 -5.2633 -5.2282 -5.2175 -5.2072 -5.2065 -1.0109 -1.0030 0.6335 0.6341 0.6396 0.6482 6.2739 6.2739 6.8843 6.8845 6.9892 6.9898 8.0846 8.0953 8.5544 8.5714 8.6212 8.6256 10.7045 10.7047 10.7371 10.7382 10.7679 10.7689 15.0431 15.0445 15.1018 15.1022 15.1661 15.1667 17.5218 17.5420 k = 0.4618 0.5000 0.5028 ( 2620 PWs) bands (ev): -45.6454 -45.6454 -22.3902 -22.3900 -21.7411 -21.7410 -21.7383 -21.7379 -13.5683 -13.5683 -5.2676 -5.2584 -5.2243 -5.2156 -5.2046 -5.2041 -1.0175 -1.0115 0.6257 0.6264 0.6300 0.6369 6.2657 6.2658 6.8823 6.8824 6.9795 6.9799 8.0911 8.0992 8.5672 8.5803 8.6250 8.6287 10.7177 10.7178 10.7497 10.7509 10.7694 10.7706 15.0514 15.0525 15.1080 15.1083 15.1713 15.1718 17.5195 17.5364 k = 0.4742 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3901 -21.7411 -21.7411 -21.7383 -21.7381 -13.5677 -13.5677 -5.2621 -5.2556 -5.2207 -5.2145 -5.2027 -5.2023 -1.0220 -1.0179 0.6202 0.6210 0.6234 0.6284 6.2597 6.2597 6.8805 6.8806 6.9730 6.9733 8.0960 8.1015 8.5769 8.5859 8.6283 8.6309 10.7272 10.7273 10.7582 10.7594 10.7714 10.7726 15.0575 15.0582 15.1123 15.1126 15.1753 15.1757 17.5184 17.5307 k = 0.4867 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3902 -21.7411 -21.7411 -21.7384 -21.7383 -13.5674 -13.5674 -5.2582 -5.2547 -5.2178 -5.2145 -5.2015 -5.2013 -1.0244 -1.0222 0.6169 0.6175 0.6198 0.6226 6.2559 6.2559 6.8794 6.8794 6.9692 6.9693 8.0994 8.1023 8.5836 8.5884 8.6307 8.6321 10.7330 10.7330 10.7628 10.7635 10.7738 10.7745 15.0613 15.0617 15.1150 15.1151 15.1779 15.1781 17.5188 17.5256 k = 0.4992 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2558 -5.2554 -5.2158 -5.2154 -5.2010 -5.2010 -1.0246 -1.0244 0.6159 0.6159 0.6194 0.6198 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1015 8.1018 8.5874 8.5879 8.6320 8.6321 10.7351 10.7351 10.7644 10.7645 10.7752 10.7753 15.0628 15.0629 15.1159 15.1160 15.1789 15.1789 17.5210 17.5218 k = 0.4992 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2558 -5.2554 -5.2158 -5.2154 -5.2010 -5.2010 -1.0246 -1.0244 0.6159 0.6159 0.6194 0.6198 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1015 8.1018 8.5874 8.5879 8.6320 8.6321 10.7351 10.7351 10.7644 10.7645 10.7752 10.7753 15.0628 15.0629 15.1159 15.1160 15.1789 15.1789 17.5210 17.5218 k = 0.4903 0.4911 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3902 -21.7411 -21.7411 -21.7384 -21.7382 -13.5674 -13.5674 -5.2588 -5.2538 -5.2187 -5.2140 -5.2017 -5.2014 -1.0247 -1.0217 0.6169 0.6179 0.6192 0.6233 6.2559 6.2560 6.8794 6.8794 6.9692 6.9694 8.0988 8.1028 8.5825 8.5891 8.6305 8.6325 10.7329 10.7329 10.7629 10.7639 10.7732 10.7743 15.0612 15.0617 15.1148 15.1150 15.1778 15.1781 17.5167 17.5260 k = 0.4814 0.4821 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3900 -21.7411 -21.7410 -21.7384 -21.7380 -13.5678 -13.5678 -5.2629 -5.2534 -5.2229 -5.2136 -5.2033 -5.2026 -1.0226 -1.0169 0.6201 0.6207 0.6232 0.6298 6.2599 6.2600 6.8807 6.8808 6.9730 6.9734 8.0947 8.1024 8.5745 8.5871 8.6283 8.6318 10.7269 10.7270 10.7592 10.7615 10.7689 10.7712 15.0571 15.0581 15.1120 15.1123 15.1751 15.1756 17.5131 17.5300 k = 0.4725 0.4732 0.5028 ( 2612 PWs) bands (ev): -45.6453 -45.6453 -22.3902 -22.3899 -21.7411 -21.7410 -21.7383 -21.7377 -13.5684 -13.5684 -5.2684 -5.2545 -5.2281 -5.2142 -5.2059 -5.2045 -1.0184 -1.0099 0.6247 0.6252 0.6314 0.6396 6.2663 6.2664 6.8829 6.8830 6.9791 6.9797 8.0890 8.1006 8.5633 8.5816 8.6256 8.6304 10.7172 10.7174 10.7530 10.7564 10.7633 10.7667 15.0507 15.0522 15.1074 15.1079 15.1707 15.1714 17.5110 17.5339 k = 0.4635 0.4643 0.5028 ( 2640 PWs) bands (ev): -45.6454 -45.6454 -22.3903 -22.3898 -21.7411 -21.7410 -21.7382 -21.7375 -13.5692 -13.5692 -5.2753 -5.2578 -5.2338 -5.2157 -5.2093 -5.2070 -1.0120 -1.0008 0.6305 0.6321 0.6428 0.6527 6.2750 6.2751 6.8860 6.8861 6.9875 6.9883 8.0818 8.0973 8.5491 8.5728 8.6226 8.6283 10.7037 10.7040 10.7437 10.7472 10.7579 10.7612 15.0418 15.0438 15.1010 15.1018 15.1647 15.1658 17.5111 17.5384 k = 0.4546 0.4554 0.5028 ( 2644 PWs) bands (ev): -45.6454 -45.6454 -22.3901 -22.3895 -21.7410 -21.7408 -21.7380 -21.7371 -13.5703 -13.5703 -5.2840 -5.2643 -5.2389 -5.2182 -5.2131 -5.2099 -1.0036 -0.9898 0.6382 0.6408 0.6575 0.6691 6.2859 6.2861 6.8901 6.8903 6.9983 6.9992 8.0728 8.0922 8.5319 8.5608 8.6196 8.6258 10.6865 10.6870 10.7315 10.7348 10.7522 10.7551 15.0306 15.0330 15.0930 15.0940 15.1572 15.1585 17.5136 17.5441 k = 0.4457 0.4464 0.5028 ( 2644 PWs) bands (ev): -45.6454 -45.6454 -22.3899 -22.3892 -21.7409 -21.7406 -21.7376 -21.7365 -13.5716 -13.5716 -5.2945 -5.2745 -5.2428 -5.2217 -5.2170 -5.2133 -0.9931 -0.9768 0.6476 0.6512 0.6754 0.6888 6.2988 6.2991 6.8954 6.8956 7.0114 7.0124 8.0618 8.0853 8.5123 8.5461 8.6165 8.6229 10.6659 10.6665 10.7166 10.7198 10.7457 10.7481 15.0169 15.0199 15.0833 15.0846 15.1482 15.1499 17.5187 17.5513 k = 0.4368 0.4375 0.5028 ( 2646 PWs) bands (ev): -45.6454 -45.6454 -22.3897 -22.3889 -21.7408 -21.7404 -21.7372 -21.7359 -13.5732 -13.5732 -5.3070 -5.2879 -5.2460 -5.2262 -5.2207 -5.2170 -0.9808 -0.9619 0.6588 0.6633 0.6964 0.7115 6.3136 6.3140 6.9020 6.9021 7.0267 7.0278 8.0486 8.0762 8.4905 8.5293 8.6133 8.6198 10.6419 10.6426 10.6995 10.7027 10.7380 10.7402 15.0008 15.0042 15.0720 15.0736 15.1378 15.1398 17.5262 17.5601 k = 0.4279 0.4286 0.5028 ( 2650 PWs) bands (ev): -45.6455 -45.6455 -22.3894 -22.3885 -21.7407 -21.7402 -21.7367 -21.7352 -13.5749 -13.5749 -5.3216 -5.3040 -5.2490 -5.2314 -5.2244 -5.2210 -0.9667 -0.9454 0.6718 0.6771 0.7204 0.7373 6.3300 6.3305 6.9100 6.9101 7.0442 7.0454 8.0330 8.0646 8.4674 8.5110 8.6100 8.6165 10.6147 10.6156 10.6805 10.6837 10.7293 10.7312 14.9822 14.9862 15.0592 15.0611 15.1261 15.1284 17.5357 17.5702 k = 0.4190 0.4196 0.5028 ( 2650 PWs) bands (ev): -45.6455 -45.6455 -22.3890 -22.3880 -21.7405 -21.7400 -21.7361 -21.7344 -13.5769 -13.5769 -5.3382 -5.3223 -5.2520 -5.2368 -5.2283 -5.2252 -0.9508 -0.9272 0.6864 0.6925 0.7474 0.7659 6.3476 6.3482 6.9196 6.9197 7.0637 7.0649 8.0146 8.0500 8.4437 8.4918 8.6067 8.6131 10.5847 10.5856 10.6598 10.6633 10.7194 10.7211 14.9612 14.9657 15.0449 15.0471 15.1131 15.1158 17.5467 17.5812 k = 0.4101 0.4107 0.5028 ( 2646 PWs) bands (ev): -45.6455 -45.6455 -22.3886 -22.3875 -21.7403 -21.7397 -21.7354 -21.7336 -13.5791 -13.5791 -5.3569 -5.3426 -5.2552 -5.2424 -5.2323 -5.2297 -0.9334 -0.9075 0.7026 0.7095 0.7770 0.7972 6.3663 6.3670 6.9312 6.9312 7.0852 7.0864 7.9933 8.0319 8.4202 8.4725 8.6033 8.6098 10.5519 10.5529 10.6379 10.6416 10.7082 10.7097 14.9378 14.9428 15.0292 15.0318 15.0989 15.1020 17.5584 17.5924 k = 0.4011 0.4018 0.5028 ( 2642 PWs) bands (ev): -45.6456 -45.6456 -22.3882 -22.3870 -21.7401 -21.7394 -21.7346 -21.7326 -13.5815 -13.5815 -5.3774 -5.3647 -5.2587 -5.2480 -5.2366 -5.2343 -0.9145 -0.8865 0.7204 0.7280 0.8093 0.8311 6.3855 6.3864 6.9447 6.9448 7.1085 7.1097 7.9689 8.0101 8.3978 8.4537 8.6001 8.6066 10.5167 10.5177 10.6148 10.6188 10.6958 10.6971 14.9119 14.9175 15.0123 15.0152 15.0836 15.0872 17.5700 17.6030 k = 0.3922 0.3929 0.5028 ( 2638 PWs) bands (ev): -45.6456 -45.6456 -22.3877 -22.3864 -21.7398 -21.7391 -21.7338 -21.7316 -13.5841 -13.5841 -5.3998 -5.3885 -5.2623 -5.2536 -5.2411 -5.2390 -0.8943 -0.8643 0.7397 0.7481 0.8440 0.8673 6.4051 6.4060 6.9606 6.9609 7.1336 7.1347 7.9412 7.9841 8.3772 8.4360 8.5970 8.6037 10.4793 10.4803 10.5909 10.5954 10.6820 10.6832 14.8837 14.8897 14.9941 14.9974 15.0673 15.0713 17.5801 17.6117 k = 0.3833 0.3839 0.5028 ( 2646 PWs) bands (ev): -45.6456 -45.6456 -22.3873 -22.3859 -21.7396 -21.7389 -21.7329 -21.7305 -13.5869 -13.5869 -5.4238 -5.4139 -5.2662 -5.2591 -5.2458 -5.2438 -0.8729 -0.8410 0.7605 0.7696 0.8808 0.9056 6.4244 6.4255 6.9791 6.9796 7.1602 7.1612 7.9104 7.9540 8.3591 8.4198 8.5944 8.6013 10.4401 10.4410 10.5663 10.5712 10.6668 10.6679 14.8530 14.8596 14.9749 14.9785 15.0500 15.0545 17.5875 17.6173 k = 0.3744 0.3750 0.5028 ( 2650 PWs) bands (ev): -45.6457 -45.6457 -22.3867 -22.3853 -21.7394 -21.7386 -21.7320 -21.7294 -13.5899 -13.5899 -5.4494 -5.4406 -5.2702 -5.2645 -5.2506 -5.2485 -0.8504 -0.8168 0.7827 0.7924 0.9197 0.9459 6.4433 6.4445 7.0004 7.0011 7.1882 7.1890 7.8766 7.9199 8.3437 8.4054 8.5923 8.5994 10.3992 10.4001 10.5413 10.5467 10.6502 10.6511 14.8200 14.8271 14.9546 14.9587 15.0319 15.0368 17.5907 17.6183 k = 0.3655 0.3661 0.5028 ( 2654 PWs) bands (ev): -45.6457 -45.6457 -22.3862 -22.3846 -21.7391 -21.7382 -21.7309 -21.7283 -13.5931 -13.5931 -5.4764 -5.4686 -5.2742 -5.2698 -5.2555 -5.2533 -0.8270 -0.7917 0.8062 0.8167 0.9603 0.9878 6.4613 6.4626 7.0247 7.0258 7.2174 7.2180 7.8402 7.8823 8.3312 8.3930 8.5909 8.5983 10.3570 10.3578 10.5159 10.5218 10.6321 10.6329 14.7846 14.7923 14.9336 14.9381 15.0131 15.0184 17.5882 17.6133 k = 0.3566 0.3571 0.5028 ( 2654 PWs) bands (ev): -45.6458 -45.6458 -22.3856 -22.3840 -21.7388 -21.7379 -21.7298 -21.7270 -13.5964 -13.5964 -5.5046 -5.4978 -5.2784 -5.2749 -5.2605 -5.2581 -0.8028 -0.7660 0.8310 0.8421 1.0023 1.0310 6.4783 6.4796 7.0521 7.0536 7.2476 7.2479 7.8017 7.8420 8.3213 8.3827 8.5905 8.5983 10.3138 10.3145 10.4903 10.4967 10.6126 10.6132 14.7470 14.7553 14.9119 14.9167 14.9936 14.9993 17.5786 17.6012 k = 0.3477 0.3482 0.5028 ( 2654 PWs) bands (ev): -45.6458 -45.6458 -22.3849 -22.3833 -21.7385 -21.7375 -21.7287 -21.7257 -13.5999 -13.5999 -5.5340 -5.5280 -5.2825 -5.2797 -5.2654 -5.2627 -0.7779 -0.7397 0.8571 0.8688 1.0456 1.0754 6.4939 6.4953 7.0826 7.0847 7.2784 7.2785 7.7618 7.7996 8.3139 8.3744 8.5914 8.5995 10.2699 10.2705 10.4645 10.4714 10.5914 10.5918 14.7072 14.7160 14.8895 14.8948 14.9735 14.9796 17.5610 17.5810 k = 0.3387 0.3393 0.5028 ( 2650 PWs) bands (ev): -45.6459 -45.6459 -22.3842 -22.3825 -21.7382 -21.7371 -21.7274 -21.7244 -13.6035 -13.6035 -5.5643 -5.5591 -5.2866 -5.2844 -5.2703 -5.2673 -0.7525 -0.7130 0.8842 0.8965 1.0898 1.1206 6.5082 6.5096 7.1163 7.1189 7.3094 7.3099 7.7212 7.7562 8.3087 8.3680 8.5938 8.6023 10.2257 10.2261 10.4386 10.4461 10.5687 10.5689 14.6651 14.6746 14.8668 14.8724 14.9530 14.9595 17.5346 17.5524 k = 0.3298 0.3304 0.5028 ( 2648 PWs) bands (ev): -45.6459 -45.6459 -22.3835 -22.3817 -21.7378 -21.7367 -21.7261 -21.7230 -13.6073 -13.6073 -5.5955 -5.5910 -5.2907 -5.2889 -5.2750 -5.2716 -0.7266 -0.6860 0.9124 0.9253 1.1346 1.1664 6.5210 6.5224 7.1528 7.1561 7.3404 7.3415 7.6807 7.7127 8.3053 8.3631 8.5980 8.6069 10.1813 10.1816 10.4126 10.4207 10.5443 10.5444 14.6210 14.6310 14.8437 14.8498 14.9320 14.9389 17.4996 17.5155 k = 0.3209 0.3214 0.5028 ( 2652 PWs) bands (ev): -45.6460 -45.6460 -22.3828 -22.3810 -21.7375 -21.7364 -21.7248 -21.7216 -13.6112 -13.6112 -5.6275 -5.6235 -5.2948 -5.2933 -5.2794 -5.2755 -0.7004 -0.6589 0.9415 0.9550 1.1797 1.2123 6.5324 6.5338 7.1921 7.1961 7.3709 7.3728 7.6412 7.6699 8.3034 8.3597 8.6044 8.6136 10.1373 10.1373 10.3866 10.3951 10.5180 10.5184 14.5749 14.5855 14.8205 14.8269 14.9108 14.9181 17.4562 17.4706 k = 0.3120 0.3125 0.5028 ( 2652 PWs) bands (ev): -45.6461 -45.6461 -22.3821 -22.3802 -21.7371 -21.7360 -21.7234 -21.7201 -13.6153 -13.6152 -5.6600 -5.6567 -5.2990 -5.2979 -5.2832 -5.2790 -0.6741 -0.6317 0.9715 0.9856 1.2248 1.2581 6.5425 6.5439 7.2338 7.2386 7.4004 7.4034 7.6039 7.6289 8.3027 8.3574 8.6133 8.6228 10.0937 10.0939 10.3605 10.3695 10.4900 10.4907 14.5268 14.5380 14.7973 14.8040 14.8894 14.8970 17.4053 17.4185 k = 0.3031 0.3036 0.5028 ( 2656 PWs) bands (ev): -45.6461 -45.6461 -22.3813 -22.3794 -21.7367 -21.7356 -21.7220 -21.7187 -13.6194 -13.6194 -5.6931 -5.6902 -5.3034 -5.3027 -5.2863 -5.2818 -0.6477 -0.6045 1.0022 1.0170 1.2696 1.3034 6.5514 6.5528 7.2776 7.2832 7.4274 7.4323 7.5704 7.5911 8.3030 8.3560 8.6250 8.6346 10.0509 10.0514 10.3343 10.3437 10.4603 10.4614 14.4768 14.4887 14.7741 14.7812 14.8679 14.8759 17.3477 17.3600 k = 0.2942 0.2946 0.5028 ( 2664 PWs) bands (ev): -45.6462 -45.6462 -22.3806 -22.3787 -21.7364 -21.7352 -21.7206 -21.7172 -13.6236 -13.6236 -5.7265 -5.7241 -5.3080 -5.3077 -5.2885 -5.2839 -0.6213 -0.5776 1.0337 1.0490 1.3137 1.3480 6.5593 6.5606 7.3231 7.3294 7.4483 7.4571 7.5451 7.5595 8.3039 8.3553 8.6398 8.6494 10.0095 10.0104 10.3080 10.3176 10.4287 10.4304 14.4252 14.4376 14.7512 14.7586 14.8464 14.8547 17.2842 17.2959 k = 0.2853 0.2857 0.5028 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3798 -22.3779 -21.7360 -21.7348 -21.7192 -21.7157 -13.6279 -13.6279 -5.7602 -5.7582 -5.3130 -5.3128 -5.2898 -5.2852 -0.5950 -0.5508 1.0656 1.0816 1.3569 1.3914 6.5663 6.5676 7.3699 7.3770 7.4544 7.4698 7.5370 7.5425 8.3054 8.3551 8.6577 8.6673 9.9698 9.9711 10.2815 10.2913 10.3954 10.3978 14.3719 14.3849 14.7286 14.7363 14.8251 14.8336 17.2156 17.2270 k = 0.2763 0.2768 0.5028 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3790 -22.3770 -21.7356 -21.7344 -21.7177 -21.7141 -13.6323 -13.6323 -5.7939 -5.7923 -5.3185 -5.3179 -5.2903 -5.2857 -0.5690 -0.5245 1.0981 1.1146 1.3988 1.4335 6.5725 6.5738 7.4173 7.4236 7.4449 7.4612 7.5490 7.5499 8.3072 8.3552 8.6790 8.6883 9.9322 9.9340 10.2548 10.2646 10.3604 10.3635 14.3171 14.3307 14.7066 14.7145 14.8039 14.8127 17.1428 17.1540 k = 0.2674 0.2679 0.5028 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3782 -22.3762 -21.7352 -21.7339 -21.7161 -21.7126 -13.6367 -13.6367 -5.8277 -5.8265 -5.3241 -5.3232 -5.2900 -5.2854 -0.5434 -0.4986 1.1309 1.1481 1.4392 1.4738 6.5782 6.5794 7.4237 7.4405 7.4673 7.4765 7.5699 7.5705 8.3093 8.3557 8.7036 8.7125 9.8971 9.8994 10.2278 10.2373 10.3235 10.3278 14.2610 14.2752 14.6850 14.6933 14.7831 14.7921 17.0663 17.0776 k = 0.2585 0.2589 0.5028 ( 2660 PWs) bands (ev): -45.6464 -45.6464 -22.3773 -22.3753 -21.7347 -21.7335 -21.7145 -21.7110 -13.6412 -13.6412 -5.8615 -5.8605 -5.3299 -5.3285 -5.2888 -5.2843 -0.5181 -0.4733 1.1639 1.1817 1.4778 1.5122 6.5834 6.5846 7.4079 7.4228 7.5149 7.5253 7.5931 7.5942 8.3116 8.3564 8.7312 8.7398 9.8649 9.8679 10.2005 10.2093 10.2850 10.2908 14.2037 14.2185 14.6642 14.6727 14.7626 14.7718 16.9868 16.9981 k = 0.2496 0.2500 0.5028 ( 2660 PWs) bands (ev): -45.6465 -45.6465 -22.3765 -22.3745 -21.7343 -21.7330 -21.7130 -21.7094 -13.6457 -13.6457 -5.8950 -5.8943 -5.3356 -5.3340 -5.2869 -5.2825 -0.4934 -0.4486 1.1970 1.2156 1.5143 1.5484 6.5883 6.5895 7.3955 7.4083 7.5627 7.5740 7.6164 7.6181 8.3141 8.3575 8.7618 8.7697 9.8361 9.8399 10.1726 10.1802 10.2448 10.2527 14.1454 14.1608 14.6442 14.6528 14.7426 14.7520 16.9048 16.9163 k = 0.2407 0.2411 0.5028 ( 2660 PWs) bands (ev): -45.6466 -45.6466 -22.3756 -22.3737 -21.7339 -21.7326 -21.7114 -21.7078 -13.6502 -13.6502 -5.9282 -5.9278 -5.3414 -5.3395 -5.2843 -5.2800 -0.4693 -0.4247 1.2302 1.2494 1.5487 1.5822 6.5929 6.5941 7.3877 7.3985 7.6093 7.6215 7.6396 7.6419 8.3169 8.3590 8.7950 8.8022 9.8111 9.8158 10.1442 10.1497 10.2030 10.2139 14.0863 14.1023 14.6250 14.6338 14.7232 14.7328 16.8208 16.8324 k = 0.2318 0.2321 0.5028 ( 2656 PWs) bands (ev): -45.6466 -45.6466 -22.3748 -22.3728 -21.7334 -21.7322 -21.7098 -21.7063 -13.6547 -13.6547 -5.9611 -5.9608 -5.3471 -5.3450 -5.2810 -5.2767 -0.4459 -0.4016 1.2632 1.2832 1.5806 1.6134 6.5975 6.5986 7.3853 7.3943 7.6516 7.6583 7.6678 7.6713 8.3200 8.3609 8.8303 8.8367 9.7904 9.7961 10.1151 10.1170 10.1598 10.1751 14.0267 14.0432 14.6068 14.6157 14.7044 14.7141 16.7350 16.7468 k = 0.2229 0.2232 0.5028 ( 2650 PWs) bands (ev): -45.6467 -45.6467 -22.3739 -22.3720 -21.7329 -21.7317 -21.7082 -21.7047 -13.6592 -13.6591 -5.9935 -5.9934 -5.3528 -5.3505 -5.2770 -5.2728 -0.4233 -0.3793 1.2959 1.3167 1.6102 1.6419 6.6020 6.6031 7.3885 7.3959 7.6798 7.6801 7.7049 7.7154 8.3236 8.3634 8.8676 8.8728 9.7742 9.7812 10.0814 10.0849 10.1154 10.1370 13.9666 13.9836 14.5895 14.5986 14.6863 14.6961 16.6480 16.6600 k = 0.2139 0.2143 0.5028 ( 2650 PWs) bands (ev): -45.6468 -45.6468 -22.3731 -22.3712 -21.7325 -21.7313 -21.7066 -21.7032 -13.6636 -13.6636 -6.0254 -6.0253 -5.3584 -5.3559 -5.2724 -5.2682 -0.4015 -0.3581 1.3282 1.3499 1.6372 1.6676 6.6065 6.6075 7.3977 7.4036 7.6994 7.7012 7.7461 7.7583 8.3278 8.3665 8.9063 8.9103 9.7631 9.7714 10.0423 10.0526 10.0710 10.1001 13.9064 13.9239 14.5733 14.5825 14.6689 14.6789 16.5601 16.5722 k = 0.2050 0.2054 0.5028 ( 2650 PWs) bands (ev): -45.6468 -45.6468 -22.3723 -22.3704 -21.7321 -21.7309 -21.7051 -21.7017 -13.6680 -13.6680 -6.0567 -6.0564 -5.3639 -5.3613 -5.2671 -5.2631 -0.3807 -0.3379 1.3600 1.3827 1.6617 1.6906 6.6111 6.6121 7.4128 7.4175 7.7178 7.7204 7.7858 7.7987 8.3325 8.3704 8.9461 8.9486 9.7571 9.7670 9.9998 10.0138 10.0308 10.0646 13.8463 13.8644 14.5581 14.5674 14.6525 14.6625 16.4715 16.4838 k = 0.1961 0.1964 0.5028 ( 2658 PWs) bands (ev): -45.6469 -45.6469 -22.3715 -22.3697 -21.7317 -21.7305 -21.7036 -21.7003 -13.6724 -13.6723 -6.0872 -6.0868 -5.3693 -5.3666 -5.2614 -5.2574 -0.3608 -0.3187 1.3912 1.4149 1.6837 1.7109 6.6158 6.6168 7.4340 7.4376 7.7352 7.7383 7.8228 7.8362 8.3380 8.3752 8.9867 8.9875 9.7564 9.7680 9.9543 9.9674 9.9961 10.0299 13.7867 13.8052 14.5441 14.5534 14.6368 14.6469 16.3826 16.3951 k = 0.1872 0.1875 0.5028 ( 2662 PWs) bands (ev): -45.6469 -45.6469 -22.3708 -22.3690 -21.7313 -21.7301 -21.7021 -21.6988 -13.6766 -13.6766 -6.1169 -6.1165 -5.3746 -5.3718 -5.2551 -5.2513 -0.3419 -0.3007 1.4214 1.4463 1.7034 1.7285 6.6206 6.6216 7.4612 7.4637 7.7517 7.7553 7.8566 7.8703 8.3444 8.3809 9.0270 9.0281 9.7609 9.7743 9.9066 9.9181 9.9622 9.9952 13.7277 13.7466 14.5311 14.5405 14.6222 14.6322 16.2937 16.3063 k = 0.1783 0.1786 0.5028 ( 2664 PWs) bands (ev): -45.6470 -45.6470 -22.3700 -22.3683 -21.7309 -21.7297 -21.7006 -21.6974 -13.6808 -13.6808 -6.1457 -6.1452 -5.3797 -5.3769 -5.2485 -5.2447 -0.3241 -0.2839 1.4507 1.4769 1.7209 1.7437 6.6256 6.6266 7.4941 7.4959 7.7672 7.7713 7.8870 7.9008 8.3518 8.3877 9.0668 9.0700 9.7703 9.7853 9.8575 9.8673 9.9277 9.9603 13.6698 13.6891 14.5193 14.5286 14.6085 14.6185 16.2051 16.2177 k = 0.1694 0.1696 0.5028 ( 2666 PWs) bands (ev): -45.6471 -45.6471 -22.3693 -22.3676 -21.7305 -21.7294 -21.6992 -21.6961 -13.6849 -13.6849 -6.1735 -6.1729 -5.3847 -5.3819 -5.2414 -5.2378 -0.3074 -0.2683 1.4788 1.5064 1.7364 1.7565 6.6308 6.6318 7.5328 7.5339 7.7821 7.7866 7.9137 7.9276 8.3601 8.3957 9.1071 9.1125 9.7836 9.7957 9.8121 9.8162 9.8922 9.9248 13.6131 13.6328 14.5085 14.5179 14.5958 14.6058 16.1170 16.1297 k = 0.1605 0.1607 0.5028 ( 2666 PWs) bands (ev): -45.6471 -45.6471 -22.3685 -22.3669 -21.7301 -21.7290 -21.6977 -21.6948 -13.6889 -13.6888 -6.2003 -6.1997 -5.3895 -5.3867 -5.2340 -5.2306 -0.2918 -0.2539 1.5056 1.5347 1.7501 1.7673 6.6362 6.6371 7.5767 7.5773 7.7962 7.8011 7.9366 7.9504 8.3697 8.4049 9.1480 9.1557 9.7528 9.7616 9.8030 9.8220 9.8560 9.8891 13.5582 13.5781 14.4989 14.5081 14.5841 14.5941 16.0299 16.0426 k = 0.1515 0.1518 0.5028 ( 2670 PWs) bands (ev): -45.6472 -45.6472 -22.3678 -22.3663 -21.7297 -21.7287 -21.6964 -21.6935 -13.6927 -13.6927 -6.2260 -6.2253 -5.3941 -5.3913 -5.2265 -5.2231 -0.2773 -0.2408 1.5309 1.5616 1.7624 1.7763 6.6416 6.6425 7.6258 7.6260 7.8096 7.8150 7.9557 7.9694 8.3805 8.4154 9.1897 9.1996 9.7005 9.7089 9.8108 9.8305 9.8345 9.8613 13.5052 13.5253 14.4902 14.4994 14.5735 14.5833 15.9439 15.9566 k = 0.1426 0.1429 0.5028 ( 2666 PWs) bands (ev): -45.6472 -45.6472 -22.3671 -22.3656 -21.7293 -21.7283 -21.6950 -21.6923 -13.6964 -13.6964 -6.2505 -6.2498 -5.3985 -5.3958 -5.2187 -5.2155 -0.2640 -0.2290 1.5544 1.5868 1.7735 1.7839 6.6472 6.6481 7.6794 7.6795 7.8225 7.8283 7.9712 7.9847 8.3926 8.4274 9.2322 9.2443 9.6473 9.6554 9.7751 9.8059 9.8497 9.8758 13.4545 13.4747 14.4826 14.4916 14.5639 14.5736 15.8595 15.8721 k = 0.1337 0.1339 0.5028 ( 2666 PWs) bands (ev): -45.6473 -45.6473 -22.3665 -22.3651 -21.7290 -21.7280 -21.6937 -21.6911 -13.6999 -13.6999 -6.2738 -6.2731 -5.4026 -5.4000 -5.2109 -5.2079 -0.2518 -0.2184 1.5760 1.6102 1.7838 1.7905 6.6529 6.6538 7.7372 7.7373 7.8350 7.8411 7.9832 7.9964 8.4061 8.4408 9.2756 9.2898 9.5936 9.6015 9.7341 9.7661 9.8742 9.9012 13.4065 13.4267 14.4759 14.4847 14.5554 14.5649 15.7770 15.7893 k = 0.1248 0.1250 0.5028 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3659 -22.3645 -21.7286 -21.7277 -21.6925 -21.6901 -13.7033 -13.7033 -6.2959 -6.2951 -5.4066 -5.4041 -5.2031 -5.2002 -0.2407 -0.2090 1.5955 1.6313 1.7934 1.7965 6.6586 6.6595 7.7981 7.7986 7.8478 7.8538 7.9921 8.0050 8.4210 8.4559 9.3198 9.3361 9.5396 9.5477 9.6909 9.7239 9.8994 9.9278 13.3614 13.3815 14.4701 14.4787 14.5479 14.5571 15.6966 15.7088 k = 0.1159 0.1161 0.5028 ( 2670 PWs) bands (ev): -45.6474 -45.6474 -22.3653 -22.3640 -21.7283 -21.7274 -21.6914 -21.6890 -13.7065 -13.7065 -6.3166 -6.3159 -5.4103 -5.4079 -5.1953 -5.1926 -0.2307 -0.2008 1.6129 1.6500 1.8024 1.8028 6.6643 6.6651 7.8495 7.8554 7.8730 7.8740 7.9982 8.0107 8.4375 8.4725 9.3649 9.3830 9.4856 9.4939 9.6459 9.6797 9.9242 9.9540 13.3195 13.3394 14.4652 14.4735 14.5414 14.5503 15.6189 15.6307 k = 0.1070 0.1071 0.5028 ( 2670 PWs) bands (ev): -45.6474 -45.6474 -22.3647 -22.3635 -21.7280 -21.7272 -21.6903 -21.6881 -13.7095 -13.7095 -6.3360 -6.3352 -5.4138 -5.4115 -5.1877 -5.1852 -0.2217 -0.1937 1.6280 1.6658 1.8085 1.8121 6.6699 6.6707 7.8653 7.8731 7.9358 7.9361 8.0021 8.0140 8.4556 8.4908 9.4104 9.4293 9.4318 9.4414 9.5989 9.6337 9.9478 9.9788 13.2811 13.3005 14.4610 14.4690 14.5358 14.5443 15.5441 15.5556 k = 0.0981 0.0982 0.5028 ( 2674 PWs) bands (ev): -45.6474 -45.6474 -22.3642 -22.3631 -21.7277 -21.7269 -21.6892 -21.6872 -13.7123 -13.7123 -6.3539 -6.3532 -5.4170 -5.4149 -5.1804 -5.1780 -0.2137 -0.1877 1.6408 1.6786 1.8154 1.8214 6.6754 6.6762 7.8760 7.8841 7.9978 8.0056 8.0124 8.0159 8.4753 8.5108 9.3776 9.3873 9.4568 9.4775 9.5505 9.5858 9.9694 10.0014 13.2463 13.2652 14.4576 14.4652 14.5311 14.5392 15.4728 15.4838 k = 0.0891 0.0893 0.5028 ( 2666 PWs) bands (ev): -45.6475 -45.6475 -22.3637 -22.3627 -21.7274 -21.7267 -21.6882 -21.6864 -13.7149 -13.7148 -6.3704 -6.3698 -5.4200 -5.4180 -5.1733 -5.1712 -0.2066 -0.1827 1.6516 1.6884 1.8230 1.8306 6.6807 6.6814 7.8858 7.8942 8.0019 8.0145 8.0792 8.0816 8.4966 8.5326 9.3243 9.3352 9.4952 9.5027 9.5291 9.5363 9.9883 10.0212 13.2153 13.2334 14.4548 14.4619 14.5273 14.5349 15.4054 15.4158 k = 0.0802 0.0804 0.5028 ( 2674 PWs) bands (ev): -45.6475 -45.6475 -22.3632 -22.3624 -21.7272 -21.7265 -21.6873 -21.6857 -13.7172 -13.7172 -6.3855 -6.3849 -5.4226 -5.4208 -5.1667 -5.1647 -0.2004 -0.1786 1.6604 1.6953 1.8314 1.8397 6.6858 6.6864 7.8949 7.9037 8.0005 8.0126 8.1534 8.1568 8.5194 8.5560 9.2714 9.2839 9.4439 9.4841 9.5490 9.5740 10.0040 10.0375 13.1881 13.2053 14.4526 14.4592 14.5242 14.5313 15.3423 15.3521 k = 0.0713 0.0714 0.5028 ( 2676 PWs) bands (ev): -45.6476 -45.6476 -22.3628 -22.3620 -21.7269 -21.7264 -21.6865 -21.6850 -13.7194 -13.7194 -6.3990 -6.3985 -5.4251 -5.4234 -5.1605 -5.1588 -0.1950 -0.1754 1.6677 1.6998 1.8402 1.8486 6.6905 6.6911 7.9035 7.9126 7.9978 8.0096 8.2287 8.2334 8.5439 8.5812 9.2191 9.2339 9.3887 9.4309 9.5941 9.6198 10.0162 10.0499 13.1647 13.1808 14.4508 14.4569 14.5218 14.5283 15.2840 15.2931 k = 0.0624 0.0625 0.5028 ( 2676 PWs) bands (ev): -45.6476 -45.6476 -22.3625 -22.3618 -21.7267 -21.7262 -21.6858 -21.6845 -13.7213 -13.7213 -6.4110 -6.4105 -5.4272 -5.4257 -5.1549 -5.1533 -0.1902 -0.1730 1.6735 1.7024 1.8490 1.8569 6.6949 6.6954 7.9116 7.9210 7.9942 8.0058 8.3042 8.3110 8.5698 8.6079 9.1675 9.1856 9.3311 9.3759 9.6380 9.6644 10.0245 10.0582 13.1451 13.1598 14.4496 14.4549 14.5201 14.5258 15.2311 15.2393 k = 0.0535 0.0536 0.5028 ( 2678 PWs) bands (ev): -45.6476 -45.6476 -22.3621 -22.3615 -21.7265 -21.7261 -21.6851 -21.6840 -13.7229 -13.7229 -6.4215 -6.4210 -5.4290 -5.4277 -5.1498 -5.1485 -0.1861 -0.1713 1.6783 1.7034 1.8575 1.8645 6.6988 6.6992 7.9193 7.9289 7.9899 8.0014 8.3796 8.3889 8.5970 8.6360 9.1167 9.1392 9.2714 9.3196 9.6803 9.7070 10.0291 10.0622 13.1290 13.1421 14.4487 14.4534 14.5188 14.5238 15.1840 15.1913 k = 0.0446 0.0446 0.5028 ( 2674 PWs) bands (ev): -45.6476 -45.6476 -22.3618 -22.3613 -21.7263 -21.7260 -21.6845 -21.6836 -13.7244 -13.7243 -6.4303 -6.4300 -5.4306 -5.4295 -5.1454 -5.1443 -0.1826 -0.1701 1.6822 1.7034 1.8653 1.8712 6.7022 6.7026 7.9265 7.9364 7.9852 7.9966 8.4540 8.4666 8.6254 8.6652 9.0668 9.0957 9.2096 9.2623 9.7204 9.7468 10.0300 10.0620 13.1163 13.1276 14.4481 14.4520 14.5180 14.5223 15.1433 15.1495 k = 0.0357 0.0357 0.5028 ( 2682 PWs) bands (ev): -45.6476 -45.6476 -22.3616 -22.3612 -21.7262 -21.7259 -21.6841 -21.6833 -13.7255 -13.7255 -6.4376 -6.4373 -5.4318 -5.4309 -5.1418 -5.1409 -0.1795 -0.1695 1.6856 1.7026 1.8720 1.8768 6.7050 6.7053 7.9334 7.9435 7.9802 7.9915 8.5265 8.5435 8.6544 8.6946 9.0178 9.0560 9.1462 9.2048 9.7575 9.7829 10.0280 10.0579 13.1066 13.1159 14.4477 14.4510 14.5176 14.5210 15.1093 15.1144 k = 0.0267 0.0268 0.5028 ( 2688 PWs) bands (ev): -45.6477 -45.6477 -22.3614 -22.3611 -21.7261 -21.7259 -21.6837 -21.6831 -13.7264 -13.7264 -6.4433 -6.4430 -5.4328 -5.4321 -5.1388 -5.1382 -0.1770 -0.1694 1.6885 1.7013 1.8776 1.8812 6.7073 6.7075 7.9399 7.9502 7.9750 7.9862 8.5960 8.6184 8.6836 8.7225 8.9700 9.0221 9.0818 9.1484 9.7907 9.8137 10.0241 10.0505 13.0997 13.1069 14.4476 14.4501 14.5174 14.5200 15.0826 15.0865 k = 0.0178 0.0179 0.5028 ( 2692 PWs) bands (ev): -45.6477 -45.6477 -22.3613 -22.3611 -21.7260 -21.7259 -21.6834 -21.6830 -13.7271 -13.7271 -6.4473 -6.4472 -5.4334 -5.4330 -5.1367 -5.1362 -0.1748 -0.1698 1.6911 1.6996 1.8819 1.8843 6.7090 6.7091 7.9461 7.9565 7.9697 7.9807 8.6606 8.6881 8.7126 8.7458 8.9247 8.9939 9.0216 9.0951 9.8188 9.8370 10.0203 10.0409 13.0954 13.1003 14.4477 14.4493 14.5175 14.5192 15.0634 15.0661 k = 0.0089 0.0089 0.5028 ( 2692 PWs) bands (ev): -45.6477 -45.6477 -22.3612 -22.3611 -21.7260 -21.7259 -21.6832 -21.6830 -13.7275 -13.7275 -6.4497 -6.4497 -5.4337 -5.4335 -5.1354 -5.1351 -0.1730 -0.1705 1.6934 1.6977 1.8847 1.8859 6.7100 6.7101 7.9521 7.9614 7.9655 7.9751 8.7160 8.7304 8.7529 8.7600 8.8890 8.9449 9.0005 9.0485 9.8397 9.8502 10.0192 10.0308 13.0934 13.0959 14.4479 14.4487 14.5177 14.5185 15.0521 15.0534 k = 0.0000 0.0000 0.5028 ( 2678 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3610 -21.7259 -21.7259 -21.6829 -21.6829 -13.7276 -13.7276 -6.4505 -6.4505 -5.4338 -5.4338 -5.1348 -5.1348 -0.1716 -0.1716 1.6956 1.6956 1.8860 1.8860 6.7104 6.7104 7.9578 7.9578 7.9694 7.9694 8.7426 8.7426 8.7698 8.7698 8.8942 8.8942 9.0145 9.0145 9.8510 9.8510 10.0228 10.0228 13.0936 13.0936 14.4483 14.4483 14.5181 14.5181 15.0487 15.0487 k = 0.0000 0.0000 0.5028 ( 2678 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3610 -21.7259 -21.7259 -21.6829 -21.6829 -13.7276 -13.7276 -6.4505 -6.4505 -5.4338 -5.4338 -5.1348 -5.1348 -0.1716 -0.1716 1.6956 1.6956 1.8860 1.8860 6.7104 6.7104 7.9578 7.9578 7.9694 7.9694 8.7426 8.7426 8.7698 8.7698 8.8942 8.8942 9.0145 9.0145 9.8510 9.8510 10.0228 10.0228 13.0936 13.0936 14.4483 14.4483 14.5181 14.5181 15.0487 15.0487 k = 0.0000 0.0000 0.4902 ( 2678 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3610 -21.7258 -21.7258 -21.6830 -21.6830 -13.7279 -13.7278 -6.4500 -6.4497 -5.4338 -5.4338 -5.1358 -5.1356 -0.1732 -0.1706 1.6953 1.6953 1.8839 1.8869 6.7130 6.7131 7.9585 7.9591 7.9705 7.9708 8.7416 8.7456 8.7708 8.7716 8.8929 8.8974 9.0145 9.0155 9.8516 9.8521 10.0235 10.0236 13.0933 13.0934 14.4454 14.4461 14.5153 14.5159 15.0486 15.0490 k = 0.0000 0.0000 0.4776 ( 2674 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3608 -21.7257 -21.7255 -21.6830 -21.6830 -13.7286 -13.7285 -6.4482 -6.4475 -5.4340 -5.4340 -5.1385 -5.1380 -0.1756 -0.1703 1.6941 1.6942 1.8806 1.8865 6.7208 6.7210 7.9612 7.9624 7.9740 7.9745 8.7427 8.7504 8.7744 8.7764 8.8934 8.9025 9.0157 9.0177 9.8539 9.8548 10.0256 10.0257 13.0926 13.0926 14.4376 14.4390 14.5078 14.5088 15.0485 15.0493 k = 0.0000 0.0000 0.4651 ( 2674 PWs) bands (ev): -45.6477 -45.6477 -22.3608 -22.3606 -21.7254 -21.7252 -21.6830 -21.6830 -13.7297 -13.7297 -6.4451 -6.4441 -5.4343 -5.4343 -5.1428 -5.1422 -0.1786 -0.1707 1.6923 1.6924 1.8760 1.8848 6.7339 6.7342 7.9659 7.9676 7.9800 7.9807 8.7459 8.7568 8.7805 8.7843 8.8958 8.9094 9.0181 9.0212 9.8579 9.8592 10.0290 10.0292 13.0913 13.0914 14.4249 14.4270 14.4953 14.4969 15.0486 15.0496 k = 0.0000 0.0000 0.4525 ( 2686 PWs) bands (ev): -45.6477 -45.6477 -22.3607 -22.3604 -21.7251 -21.7248 -21.6830 -21.6830 -13.7313 -13.7313 -6.4408 -6.4394 -5.4348 -5.4348 -5.1489 -5.1480 -0.1823 -0.1718 1.6897 1.6898 1.8702 1.8818 6.7521 6.7525 7.9726 7.9747 7.9883 7.9892 8.7510 8.7645 8.7890 8.7951 8.9003 8.9181 9.0217 9.0261 9.8635 9.8652 10.0338 10.0341 13.0896 13.0896 14.4073 14.4101 14.4782 14.4802 15.0487 15.0500 k = 0.0000 0.0000 0.4399 ( 2686 PWs) bands (ev): -45.6477 -45.6477 -22.3605 -22.3601 -21.7246 -21.7242 -21.6831 -21.6831 -13.7334 -13.7334 -6.4352 -6.4335 -5.4353 -5.4353 -5.1565 -5.1554 -0.1867 -0.1736 1.6864 1.6866 1.8633 1.8777 6.7754 6.7759 7.9811 7.9837 7.9989 8.0000 8.7581 8.7737 8.7997 8.8088 8.9069 8.9286 9.0267 9.0328 9.8708 9.8728 10.0401 10.0404 13.0874 13.0875 14.3850 14.3885 14.4564 14.4589 15.0489 15.0505 k = 0.0000 0.0000 0.4274 ( 2685 PWs) bands (ev): -45.6477 -45.6477 -22.3602 -22.3598 -21.7239 -21.7235 -21.6831 -21.6831 -13.7359 -13.7359 -6.4284 -6.4264 -5.4360 -5.4360 -5.1656 -5.1644 -0.1916 -0.1761 1.6825 1.6827 1.8553 1.8723 6.8036 6.8042 7.9914 7.9944 8.0117 8.0131 8.7669 8.7841 8.8124 8.8247 8.9159 8.9409 9.0335 9.0415 9.8796 9.8820 10.0476 10.0480 13.0847 13.0848 14.3581 14.3623 14.4301 14.4330 15.0491 15.0510 k = 0.0000 0.0000 0.4148 ( 2681 PWs) bands (ev): -45.6478 -45.6478 -22.3598 -22.3593 -21.7232 -21.7227 -21.6831 -21.6831 -13.7388 -13.7388 -6.4205 -6.4182 -5.4368 -5.4368 -5.1761 -5.1747 -0.1972 -0.1793 1.6779 1.6781 1.8462 1.8658 6.8365 6.8373 8.0035 8.0067 8.0267 8.0282 8.7773 8.7959 8.8271 8.8424 8.9275 8.9545 9.0424 9.0529 9.8901 9.8927 10.0565 10.0570 13.0816 13.0817 14.3268 14.3315 14.3995 14.4026 15.0494 15.0514 k = 0.0000 0.0000 0.4022 ( 2669 PWs) bands (ev): -45.6478 -45.6478 -22.3593 -22.3588 -21.7223 -21.7218 -21.6831 -21.6831 -13.7421 -13.7421 -6.4116 -6.4089 -5.4377 -5.4376 -5.1879 -5.1864 -0.2033 -0.1831 1.6727 1.6729 1.8361 1.8582 6.8741 6.8750 8.0171 8.0206 8.0438 8.0454 8.7892 8.8088 8.8434 8.8611 8.9417 8.9693 9.0540 9.0676 9.9022 9.9049 10.0668 10.0673 13.0781 13.0782 14.2911 14.2965 14.3646 14.3680 15.0497 15.0519 k = 0.0000 0.0000 0.3896 ( 2665 PWs) bands (ev): -45.6478 -45.6478 -22.3588 -22.3583 -21.7213 -21.7208 -21.6832 -21.6832 -13.7457 -13.7457 -6.4016 -6.3987 -5.4386 -5.4386 -5.2010 -5.1993 -0.2099 -0.1875 1.6669 1.6672 1.8250 1.8495 6.9160 6.9170 8.0322 8.0358 8.0627 8.0645 8.8025 8.8229 8.8612 8.8803 8.9585 8.9846 9.0691 9.0862 9.9158 9.9185 10.0783 10.0789 13.0742 13.0743 14.2513 14.2573 14.3257 14.3294 15.0501 15.0523 k = 0.0000 0.0000 0.3771 ( 2669 PWs) bands (ev): -45.6478 -45.6478 -22.3583 -22.3578 -21.7203 -21.7197 -21.6833 -21.6832 -13.7497 -13.7497 -6.3908 -6.3875 -5.4397 -5.4397 -5.2151 -5.2132 -0.2170 -0.1925 1.6607 1.6609 1.8132 1.8398 6.9621 6.9632 8.0486 8.0523 8.0834 8.0853 8.8170 8.8380 8.8802 8.8996 8.9773 9.0003 9.0887 9.1095 9.9308 9.9334 10.0911 10.0918 13.0699 13.0701 14.2077 14.2142 14.2830 14.2868 15.0504 15.0527 k = 0.0000 0.0000 0.3645 ( 2669 PWs) bands (ev): -45.6479 -45.6479 -22.3578 -22.3572 -21.7192 -21.7185 -21.6833 -21.6833 -13.7541 -13.7540 -6.3791 -6.3756 -5.4409 -5.4409 -5.2301 -5.2281 -0.2246 -0.1982 1.6539 1.6541 1.8005 1.8291 7.0121 7.0133 8.0661 8.0698 8.1056 8.1077 8.8329 8.8541 8.9001 8.9189 8.9973 9.0163 9.1136 9.1375 9.9473 9.9497 10.1051 10.1059 13.0653 13.0655 14.1604 14.1675 14.2367 14.2406 15.0507 15.0530 k = 0.0000 0.0000 0.3519 ( 2673 PWs) bands (ev): -45.6479 -45.6479 -22.3572 -22.3566 -21.7180 -21.7173 -21.6835 -21.6834 -13.7587 -13.7587 -6.3668 -6.3630 -5.4422 -5.4421 -5.2459 -5.2438 -0.2326 -0.2043 1.6467 1.6469 1.7871 1.8176 7.0657 7.0670 8.0847 8.0883 8.1292 8.1314 8.8499 8.8712 8.9208 8.9381 9.0180 9.0328 9.1445 9.1702 9.9652 9.9671 10.1203 10.1212 13.0604 13.0606 14.1097 14.1173 14.1869 14.1910 15.0511 15.0534 k = 0.0000 0.0000 0.3394 ( 2673 PWs) bands (ev): -45.6480 -45.6480 -22.3566 -22.3559 -21.7167 -21.7159 -21.6835 -21.6835 -13.7636 -13.7635 -6.3538 -6.3499 -5.4435 -5.4434 -5.2623 -5.2601 -0.2410 -0.2110 1.6392 1.6392 1.7732 1.8053 7.1226 7.1240 8.1040 8.1074 8.1540 8.1564 8.8682 8.8891 8.9421 8.9573 9.0392 9.0503 9.1812 9.2074 9.9844 9.9857 10.1366 10.1377 13.0553 13.0555 14.0559 14.0640 14.1340 14.1382 15.0514 15.0536 k = 0.0000 0.0000 0.3268 ( 2681 PWs) bands (ev): -45.6480 -45.6480 -22.3560 -22.3553 -21.7154 -21.7146 -21.6836 -21.6836 -13.7687 -13.7686 -6.3404 -6.3363 -5.4449 -5.4448 -5.2792 -5.2769 -0.2496 -0.2182 1.6313 1.6313 1.7587 1.7923 7.1824 7.1839 8.1240 8.1271 8.1798 8.1822 8.8877 8.9080 8.9636 8.9766 9.0614 9.0692 9.2234 9.2487 10.0048 10.0054 10.1540 10.1553 13.0498 13.0501 13.9992 14.0078 14.0782 14.0824 15.0517 15.0539 k = 0.0000 0.0000 0.3142 ( 2681 PWs) bands (ev): -45.6481 -45.6481 -22.3553 -22.3546 -21.7140 -21.7131 -21.6837 -21.6837 -13.7740 -13.7739 -6.3267 -6.3223 -5.4463 -5.4463 -5.2963 -5.2940 -0.2586 -0.2258 1.6230 1.6231 1.7438 1.7786 7.2450 7.2464 8.1444 8.1470 8.2063 8.2088 8.9086 8.9280 8.9853 8.9960 9.0847 9.0898 9.2703 9.2937 10.0260 10.0265 10.1724 10.1739 13.0442 13.0446 13.9400 13.9491 14.0197 14.0240 15.0519 15.0541 k = 0.0000 0.0000 0.3017 ( 2677 PWs) bands (ev): -45.6481 -45.6481 -22.3546 -22.3538 -21.7125 -21.7116 -21.6838 -21.6837 -13.7794 -13.7794 -6.3128 -6.3083 -5.4478 -5.4478 -5.3136 -5.3112 -0.2677 -0.2338 1.6146 1.6147 1.7286 1.7644 7.3098 7.3112 8.1651 8.1671 8.2332 8.2358 8.9307 8.9491 9.0071 9.0156 9.1096 9.1124 9.3215 9.3420 10.0475 10.0494 10.1918 10.1935 13.0385 13.0388 13.8786 13.8881 13.9589 13.9632 15.0522 15.0543 k = 0.0000 0.0000 0.2891 ( 2677 PWs) bands (ev): -45.6481 -45.6481 -22.3539 -22.3531 -21.7109 -21.7101 -21.6839 -21.6838 -13.7850 -13.7850 -6.2988 -6.2941 -5.4493 -5.4493 -5.3307 -5.3283 -0.2770 -0.2421 1.6059 1.6062 1.7131 1.7498 7.3766 7.3778 8.1858 8.1871 8.2604 8.2630 8.9543 8.9713 9.0291 9.0356 9.1362 9.1369 9.3763 9.3934 10.0697 10.0734 10.2121 10.2140 13.0326 13.0330 13.8152 13.8252 13.8959 13.9002 15.0524 15.0545 k = 0.0000 0.0000 0.2765 ( 2681 PWs) bands (ev): -45.6482 -45.6482 -22.3531 -22.3523 -21.7094 -21.7085 -21.6840 -21.6839 -13.7907 -13.7907 -6.2849 -6.2801 -5.4509 -5.4508 -5.3477 -5.3452 -0.2864 -0.2508 1.5972 1.5975 1.6975 1.7348 7.4448 7.4457 8.2065 8.2068 8.2875 8.2900 8.9791 8.9947 9.0515 9.0562 9.1633 9.1642 9.4344 9.4474 10.0927 10.0985 10.2331 10.2354 13.0266 13.0271 13.7502 13.7606 13.8311 13.8354 15.0526 15.0546 k = 0.0000 0.0000 0.2640 ( 2681 PWs) bands (ev): -45.6483 -45.6483 -22.3524 -22.3516 -21.7078 -21.7069 -21.6841 -21.6840 -13.7965 -13.7964 -6.2712 -6.2664 -5.4525 -5.4524 -5.3641 -5.3617 -0.2959 -0.2597 1.5883 1.5888 1.6819 1.7195 7.5141 7.5147 8.2262 8.2269 8.3143 8.3168 9.0054 9.0194 9.0744 9.0777 9.1913 9.1935 9.4953 9.5036 10.1162 10.1246 10.2549 10.2576 13.0205 13.0211 13.6840 13.6949 13.7649 13.7692 15.0528 15.0547 k = 0.0000 0.0000 0.2514 ( 2677 PWs) bands (ev): -45.6483 -45.6483 -22.3516 -22.3508 -21.7062 -21.7053 -21.6842 -21.6841 -13.8022 -13.8022 -6.2579 -6.2531 -5.4541 -5.4540 -5.3800 -5.3776 -0.3053 -0.2689 1.5795 1.5801 1.6664 1.7040 7.5840 7.5841 8.2451 8.2469 8.3406 8.3429 9.0330 9.0453 9.0982 9.1003 9.2205 9.2238 9.5586 9.5618 10.1402 10.1517 10.2773 10.2804 13.0144 13.0152 13.6170 13.6282 13.6974 13.7017 15.0529 15.0547 k = 0.0000 0.0000 0.2388 ( 2677 PWs) bands (ev): -45.6483 -45.6483 -22.3509 -22.3501 -21.7045 -21.7037 -21.6843 -21.6842 -13.8079 -13.8079 -6.2452 -6.2403 -5.4556 -5.4556 -5.3952 -5.3928 -0.3147 -0.2782 1.5707 1.5715 1.6510 1.6884 7.6535 7.6540 8.2633 8.2665 8.3660 8.3681 9.0619 9.0724 9.1229 9.1240 9.2507 9.2549 9.6216 9.6240 10.1645 10.1798 10.3002 10.3038 13.0084 13.0092 13.5494 13.5611 13.6291 13.6334 15.0530 15.0548 k = 0.0000 0.0000 0.2262 ( 2677 PWs) bands (ev): -45.6484 -45.6484 -22.3502 -22.3494 -21.7029 -21.7021 -21.6844 -21.6843 -13.8136 -13.8136 -6.2330 -6.2282 -5.4572 -5.4572 -5.4094 -5.4071 -0.3240 -0.2876 1.5621 1.5630 1.6358 1.6729 7.7225 7.7238 8.2809 8.2856 8.3904 8.3922 9.0919 9.1005 9.1489 9.1491 9.2814 9.2864 9.6824 9.6911 10.1891 10.2089 10.3235 10.3278 13.0024 13.0033 13.4818 13.4938 13.5603 13.5645 15.0532 15.0548 k = 0.0000 0.0000 0.2137 ( 2669 PWs) bands (ev): -45.6484 -45.6484 -22.3494 -22.3486 -21.7012 -21.7004 -21.6845 -21.6844 -13.8192 -13.8192 -6.2216 -6.2169 -5.4588 -5.4587 -5.4226 -5.4205 -0.3331 -0.2970 1.5535 1.5546 1.6211 1.6574 7.7904 7.7927 8.2978 8.3041 8.4136 8.4151 9.1230 9.1298 9.1754 9.1760 9.3124 9.3181 9.7439 9.7594 10.2138 10.2389 10.3471 10.3521 12.9964 12.9976 13.4145 13.4269 13.4913 13.4956 15.0533 15.0548 k = 0.0000 0.0000 0.2011 ( 2669 PWs) bands (ev): -45.6485 -45.6485 -22.3487 -22.3479 -21.6996 -21.6989 -21.6845 -21.6845 -13.8247 -13.8247 -6.2111 -6.2065 -5.4603 -5.4603 -5.4347 -5.4327 -0.3419 -0.3065 1.5452 1.5465 1.6067 1.6422 7.8567 7.8603 8.3141 8.3223 8.4355 8.4366 9.1550 9.1599 9.2029 9.2043 9.3433 9.3496 9.8055 9.8286 10.2385 10.2698 10.3708 10.3766 12.9906 12.9919 13.3479 13.3607 13.4226 13.4268 15.0533 15.0548 k = 0.0000 0.0000 0.1885 ( 2669 PWs) bands (ev): -45.6485 -45.6485 -22.3480 -22.3472 -21.6981 -21.6973 -21.6846 -21.6845 -13.8300 -13.8300 -6.2016 -6.1971 -5.4619 -5.4618 -5.4456 -5.4437 -0.3504 -0.3158 1.5372 1.5386 1.5929 1.6272 7.9208 7.9259 8.3298 8.3401 8.4559 8.4566 9.1876 9.1908 9.2314 9.2336 9.3737 9.3807 9.8668 9.8981 10.2630 10.3015 10.3946 10.4013 12.9848 12.9865 13.2825 13.2958 13.3546 13.3587 15.0534 15.0548 k = 0.0000 0.0000 0.1760 ( 2665 PWs) bands (ev): -45.6486 -45.6486 -22.3473 -22.3466 -21.6965 -21.6958 -21.6847 -21.6846 -13.8352 -13.8352 -6.1930 -6.1888 -5.4635 -5.4633 -5.4551 -5.4535 -0.3586 -0.3251 1.5295 1.5311 1.5796 1.6126 7.9820 7.9890 8.3452 8.3579 8.4748 8.4750 9.2208 9.2224 9.2606 9.2636 9.4035 9.4110 9.9270 9.9675 10.2872 10.3341 10.4182 10.4261 12.9792 12.9812 13.2187 13.2325 13.2875 13.2916 15.0534 15.0547 k = 0.0000 0.0000 0.1634 ( 2665 PWs) bands (ev): -45.6486 -45.6486 -22.3466 -22.3460 -21.6951 -21.6944 -21.6848 -21.6847 -13.8401 -13.8401 -6.1855 -6.1815 -5.4658 -5.4650 -5.4625 -5.4616 -0.3664 -0.3341 1.5221 1.5239 1.5670 1.5984 8.0398 8.0488 8.3605 8.3757 8.4918 8.4921 9.2543 9.2545 9.2902 9.2941 9.4322 9.4402 9.9857 10.0361 10.3110 10.3675 10.4416 10.4507 12.9736 12.9761 13.1571 13.1714 13.2220 13.2260 15.0534 15.0546 k = 0.0000 0.0000 0.1508 ( 2665 PWs) bands (ev): -45.6487 -45.6487 -22.3460 -22.3454 -21.6937 -21.6931 -21.6849 -21.6847 -13.8448 -13.8448 -6.1790 -6.1752 -5.4714 -5.4699 -5.4654 -5.4654 -0.3737 -0.3429 1.5151 1.5171 1.5551 1.5848 8.0932 8.1044 8.3762 8.3940 8.5071 8.5080 9.2868 9.2879 9.3200 9.3247 9.4595 9.4680 10.0423 10.1033 10.3341 10.4013 10.4646 10.4750 12.9679 12.9712 13.0981 13.1130 13.1586 13.1623 15.0534 15.0545 k = 0.0000 0.0000 0.1383 ( 2673 PWs) bands (ev): -45.6487 -45.6487 -22.3455 -22.3449 -21.6924 -21.6918 -21.6850 -21.6848 -13.8492 -13.8492 -6.1736 -6.1700 -5.4772 -5.4758 -5.4669 -5.4668 -0.3805 -0.3514 1.5086 1.5107 1.5440 1.5717 8.1415 8.1551 8.3926 8.4130 8.5209 8.5223 9.3190 9.3212 9.3494 9.3550 9.4852 9.4941 10.0962 10.1685 10.3564 10.4355 10.4869 10.4990 12.9617 12.9666 13.0421 13.0582 13.0978 13.1011 15.0534 15.0544 k = 0.0000 0.0000 0.1257 ( 2673 PWs) bands (ev): -45.6487 -45.6487 -22.3449 -22.3444 -21.6911 -21.6907 -21.6850 -21.6849 -13.8534 -13.8533 -6.1690 -6.1658 -5.4819 -5.4808 -5.4681 -5.4681 -0.3867 -0.3596 1.5026 1.5048 1.5338 1.5593 8.1842 8.1997 8.4104 8.4332 8.5333 8.5353 9.3509 9.3540 9.3781 9.3845 9.5089 9.5183 10.1470 10.2309 10.3777 10.4695 10.5083 10.5222 12.9536 12.9620 12.9898 13.0081 13.0408 13.0431 15.0533 15.0543 k = 0.0000 0.0000 0.1131 ( 2673 PWs) bands (ev): -45.6488 -45.6488 -22.3444 -22.3439 -21.6900 -21.6896 -21.6851 -21.6849 -13.8572 -13.8571 -6.1654 -6.1625 -5.4857 -5.4847 -5.4692 -5.4692 -0.3923 -0.3673 1.4972 1.4994 1.5244 1.5477 8.2207 8.2375 8.4301 8.4544 8.5443 8.5471 9.3821 9.3860 9.4058 9.4129 9.5304 9.5401 10.1945 10.2898 10.3979 10.5028 10.5287 10.5447 12.9368 12.9408 12.9571 12.9664 12.9897 12.9919 15.0532 15.0541 k = 0.0000 0.0000 0.1006 ( 2663 PWs) bands (ev): -45.6488 -45.6488 -22.3439 -22.3434 -21.6889 -21.6886 -21.6851 -21.6848 -13.8606 -13.8606 -6.1625 -6.1599 -5.4886 -5.4878 -5.4702 -5.4702 -0.3973 -0.3746 1.4924 1.4946 1.5160 1.5369 8.2510 8.2680 8.4517 8.4765 8.5542 8.5577 9.4124 9.4166 9.4319 9.4398 9.5494 9.5595 10.2383 10.3443 10.4170 10.5346 10.5478 10.5661 12.8967 12.9034 12.9259 12.9332 12.9590 12.9669 15.0532 15.0539 k = 0.0000 0.0000 0.0880 ( 2657 PWs) bands (ev): -45.6488 -45.6488 -22.3435 -22.3430 -21.6879 -21.6877 -21.6850 -21.6848 -13.8637 -13.8637 -6.1603 -6.1580 -5.4907 -5.4901 -5.4710 -5.4710 -0.4015 -0.3813 1.4883 1.4903 1.5084 1.5269 8.2755 8.2916 8.4744 8.4985 8.5632 8.5673 9.4412 9.4455 9.4562 9.4649 9.5657 9.5760 10.2784 10.3922 10.4361 10.5643 10.5653 10.5861 12.8570 12.8660 12.8825 12.8892 12.9538 12.9583 15.0531 15.0538 k = 0.0000 0.0000 0.0754 ( 2657 PWs) bands (ev): -45.6489 -45.6489 -22.3431 -22.3427 -21.6871 -21.6871 -21.6850 -21.6847 -13.8665 -13.8664 -6.1587 -6.1567 -5.4923 -5.4917 -5.4718 -5.4718 -0.4051 -0.3874 1.4848 1.4866 1.5018 1.5179 8.2948 8.3092 8.4968 8.5191 8.5716 8.5762 9.4683 9.4719 9.4782 9.4880 9.5791 9.5896 10.3147 10.4276 10.4604 10.5807 10.5911 10.6045 12.8217 12.8306 12.8436 12.8490 12.9507 12.9535 15.0530 15.0536 k = 0.0000 0.0000 0.0628 ( 2669 PWs) bands (ev): -45.6489 -45.6489 -22.3428 -22.3425 -21.6866 -21.6866 -21.6849 -21.6845 -13.8688 -13.8688 -6.1575 -6.1559 -5.4933 -5.4929 -5.4725 -5.4725 -0.4079 -0.3930 1.4821 1.4836 1.4962 1.5098 8.3099 8.3220 8.5174 8.5370 8.5799 8.5846 9.4933 9.4950 9.4976 9.5093 9.5894 9.6000 10.3472 10.4462 10.4935 10.5939 10.6141 10.6209 12.7908 12.7978 12.8117 12.8150 12.9482 12.9501 15.0529 15.0534 k = 0.0000 0.0000 0.0503 ( 2669 PWs) bands (ev): -45.6489 -45.6489 -22.3425 -22.3423 -21.6863 -21.6862 -21.6847 -21.6844 -13.8707 -13.8707 -6.1567 -6.1554 -5.4939 -5.4936 -5.4730 -5.4730 -0.4099 -0.3979 1.4802 1.4812 1.4916 1.5027 8.3214 8.3311 8.5347 8.5507 8.5885 8.5926 9.5137 9.5138 9.5162 9.5292 9.5967 9.6071 10.3759 10.4561 10.5264 10.6042 10.6329 10.6351 12.7642 12.7687 12.7867 12.7879 12.9462 12.9475 15.0529 15.0533 k = 0.0000 0.0000 0.0377 ( 2673 PWs) bands (ev): -45.6489 -45.6489 -22.3423 -22.3421 -21.6861 -21.6860 -21.6845 -21.6842 -13.8722 -13.8722 -6.1561 -6.1551 -5.4943 -5.4941 -5.4735 -5.4735 -0.4112 -0.4020 1.4790 1.4794 1.4880 1.4967 8.3300 8.3372 8.5481 8.5597 8.5973 8.6000 9.5271 9.5280 9.5357 9.5469 9.6011 9.6110 10.4006 10.4610 10.5550 10.6113 10.6467 10.6473 12.7424 12.7450 12.7676 12.7678 12.9447 12.9456 15.0528 15.0532 k = 0.0000 0.0000 0.0251 ( 2673 PWs) bands (ev): -45.6489 -45.6489 -22.3422 -22.3420 -21.6860 -21.6859 -21.6842 -21.6840 -13.8733 -13.8733 -6.1557 -6.1550 -5.4945 -5.4943 -5.4738 -5.4738 -0.4116 -0.4055 1.4783 1.4783 1.4856 1.4917 8.3362 8.3410 8.5575 8.5648 8.6049 8.6064 9.5369 9.5378 9.5519 9.5611 9.6032 9.6118 10.4212 10.4616 10.5781 10.6145 10.6555 10.6570 12.7262 12.7276 12.7538 12.7543 12.9436 12.9442 15.0382 15.0394 k = 0.0000 0.0000 0.0126 ( 2669 PWs) bands (ev): -45.6489 -45.6489 -22.3420 -22.3420 -21.6859 -21.6859 -21.6840 -21.6839 -13.8740 -13.8740 -6.1554 -6.1551 -5.4946 -5.4945 -5.4740 -5.4740 -0.4113 -0.4082 1.4778 1.4781 1.4847 1.4880 8.3403 8.3426 8.5634 8.5668 8.6100 8.6106 9.5429 9.5435 9.5641 9.5698 9.6045 9.6100 10.4378 10.4580 10.5954 10.6133 10.6613 10.6624 12.7163 12.7169 12.7458 12.7462 12.9431 12.9433 15.0228 15.0234 k = 0.0000 0.0000 0.0000 ( 2665 PWs) bands (ev): -45.6489 -45.6489 -22.3419 -22.3419 -21.6859 -21.6859 -21.6838 -21.6838 -13.8742 -13.8742 -6.1552 -6.1552 -5.4946 -5.4946 -5.4740 -5.4740 -0.4101 -0.4101 1.4778 1.4778 1.4855 1.4855 8.3424 8.3424 8.5664 8.5664 8.6120 8.6120 9.5452 9.5452 9.5707 9.5707 9.6069 9.6069 10.4500 10.4500 10.6071 10.6071 10.6637 10.6637 12.7131 12.7131 12.7433 12.7433 12.9430 12.9430 15.0178 15.0178 k = 0.0000 0.0000 0.0000 ( 2665 PWs) bands (ev): -45.6489 -45.6489 -22.3419 -22.3419 -21.6859 -21.6859 -21.6838 -21.6838 -13.8742 -13.8742 -6.1552 -6.1552 -5.4946 -5.4946 -5.4740 -5.4740 -0.4101 -0.4101 1.4778 1.4778 1.4855 1.4855 8.3424 8.3424 8.5664 8.5664 8.6120 8.6120 9.5452 9.5452 9.5707 9.5707 9.6069 9.6069 10.4500 10.4500 10.6071 10.6071 10.6637 10.6637 12.7131 12.7131 12.7433 12.7433 12.9430 12.9430 15.0178 15.0178 k =-0.0089 0.0089 0.0000 ( 2661 PWs) bands (ev): -45.6489 -45.6489 -22.3419 -22.3419 -21.6859 -21.6859 -21.6839 -21.6839 -13.8740 -13.8740 -6.1553 -6.1553 -5.4945 -5.4945 -5.4740 -5.4740 -0.4097 -0.4097 1.4783 1.4783 1.4860 1.4860 8.3411 8.3411 8.5647 8.5647 8.6112 8.6112 9.5417 9.5417 9.5687 9.5687 9.6068 9.6068 10.4474 10.4474 10.6051 10.6051 10.6623 10.6623 12.7152 12.7152 12.7450 12.7450 12.9452 12.9452 15.0192 15.0192 k =-0.0179 0.0178 0.0000 ( 2643 PWs) bands (ev): -45.6489 -45.6489 -22.3419 -22.3419 -21.6860 -21.6860 -21.6838 -21.6838 -13.8733 -13.8733 -6.1555 -6.1555 -5.4943 -5.4943 -5.4739 -5.4739 -0.4085 -0.4085 1.4796 1.4796 1.4875 1.4875 8.3371 8.3371 8.5596 8.5596 8.6091 8.6091 9.5312 9.5312 9.5628 9.5628 9.6066 9.6066 10.4395 10.4395 10.5993 10.5993 10.6580 10.6580 12.7216 12.7216 12.7498 12.7498 12.9518 12.9518 15.0234 15.0234 k =-0.0268 0.0267 0.0000 ( 2647 PWs) bands (ev): -45.6489 -45.6489 -22.3421 -22.3421 -21.6862 -21.6862 -21.6840 -21.6840 -13.8723 -13.8723 -6.1559 -6.1559 -5.4939 -5.4939 -5.4736 -5.4736 -0.4065 -0.4065 1.4813 1.4813 1.4904 1.4904 8.3302 8.3302 8.5513 8.5513 8.6054 8.6054 9.5140 9.5140 9.5530 9.5530 9.6064 9.6064 10.4263 10.4263 10.5897 10.5897 10.6509 10.6509 12.7320 12.7320 12.7580 12.7580 12.9626 12.9626 15.0304 15.0304 k =-0.0357 0.0357 0.0000 ( 2653 PWs) bands (ev): -45.6489 -45.6489 -22.3423 -22.3423 -21.6865 -21.6865 -21.6842 -21.6842 -13.8708 -13.8708 -6.1565 -6.1565 -5.4934 -5.4934 -5.4734 -5.4734 -0.4038 -0.4038 1.4830 1.4830 1.4951 1.4951 8.3203 8.3203 8.5401 8.5401 8.6004 8.6004 9.4902 9.4902 9.5394 9.5394 9.6063 9.6063 10.4075 10.4075 10.5767 10.5767 10.6411 10.6411 12.7462 12.7462 12.7695 12.7695 12.9777 12.9777 15.0400 15.0400 k =-0.0446 0.0446 0.0000 ( 2653 PWs) bands (ev): -45.6489 -45.6489 -22.3426 -22.3426 -21.6868 -21.6868 -21.6843 -21.6843 -13.8689 -13.8689 -6.1572 -6.1572 -5.4927 -5.4927 -5.4730 -5.4730 -0.4003 -0.4003 1.4847 1.4847 1.5015 1.5015 8.3070 8.3070 8.5263 8.5263 8.5939 8.5939 9.4603 9.4603 9.5221 9.5221 9.6062 9.6062 10.3833 10.3833 10.5607 10.5607 10.6288 10.6288 12.7639 12.7639 12.7845 12.7845 12.9967 12.9967 15.0522 15.0522 k =-0.0536 0.0535 0.0000 ( 2655 PWs) bands (ev): -45.6489 -45.6489 -22.3428 -22.3428 -21.6873 -21.6873 -21.6845 -21.6845 -13.8666 -13.8666 -6.1581 -6.1581 -5.4917 -5.4917 -5.4725 -5.4725 -0.3961 -0.3961 1.4865 1.4865 1.5094 1.5094 8.2899 8.2899 8.5104 8.5104 8.5860 8.5860 9.4250 9.4250 9.5015 9.5015 9.6063 9.6063 10.3534 10.3534 10.5421 10.5421 10.6141 10.6141 12.7844 12.7844 12.8035 12.8035 13.0195 13.0195 15.0667 15.0667 k =-0.0625 0.0624 0.0000 ( 2651 PWs) bands (ev): -45.6488 -45.6488 -22.3432 -22.3432 -21.6878 -21.6878 -21.6847 -21.6847 -13.8640 -13.8640 -6.1591 -6.1591 -5.4906 -5.4906 -5.4720 -5.4720 -0.3913 -0.3913 1.4885 1.4885 1.5188 1.5188 8.2689 8.2689 8.4928 8.4928 8.5768 8.5768 9.3847 9.3847 9.4776 9.4776 9.6066 9.6066 10.3181 10.3181 10.5213 10.5213 10.5972 10.5972 12.8069 12.8069 12.8268 12.8268 13.0458 13.0458 15.0835 15.0835 k =-0.0714 0.0713 0.0000 ( 2653 PWs) bands (ev): -45.6488 -45.6488 -22.3436 -22.3436 -21.6885 -21.6885 -21.6850 -21.6850 -13.8609 -13.8609 -6.1602 -6.1602 -5.4891 -5.4891 -5.4713 -5.4713 -0.3860 -0.3860 1.4906 1.4906 1.5294 1.5294 8.2434 8.2434 8.4740 8.4740 8.5663 8.5663 9.3401 9.3401 9.4508 9.4508 9.6071 9.6071 10.2774 10.2774 10.4989 10.4989 10.5783 10.5783 12.8310 12.8310 12.8544 12.8544 13.0754 13.0754 15.1022 15.1022 k =-0.0804 0.0802 0.0000 ( 2653 PWs) bands (ev): -45.6488 -45.6488 -22.3440 -22.3440 -21.6892 -21.6892 -21.6852 -21.6852 -13.8575 -13.8575 -6.1615 -6.1615 -5.4874 -5.4874 -5.4706 -5.4706 -0.3801 -0.3801 1.4930 1.4930 1.5412 1.5412 8.2135 8.2135 8.4544 8.4544 8.5545 8.5545 9.2918 9.2918 9.4212 9.4212 9.6079 9.6079 10.2316 10.2316 10.4751 10.4751 10.5575 10.5575 12.8569 12.8569 12.8860 12.8860 13.1078 13.1078 15.1227 15.1227 k =-0.0893 0.0891 0.0000 ( 2645 PWs) bands (ev): -45.6487 -45.6487 -22.3444 -22.3444 -21.6900 -21.6900 -21.6854 -21.6854 -13.8537 -13.8537 -6.1629 -6.1629 -5.4853 -5.4853 -5.4698 -5.4698 -0.3737 -0.3737 1.4956 1.4956 1.5539 1.5539 8.1791 8.1791 8.4339 8.4339 8.5416 8.5416 9.2403 9.2403 9.3891 9.3891 9.6090 9.6090 10.1813 10.1813 10.4504 10.4504 10.5353 10.5353 12.8847 12.8847 12.9210 12.9210 13.1429 13.1429 15.1448 15.1448 k =-0.0982 0.0981 0.0000 ( 2648 PWs) bands (ev): -45.6487 -45.6487 -22.3450 -22.3450 -21.6909 -21.6909 -21.6857 -21.6857 -13.8496 -13.8496 -6.1644 -6.1644 -5.4828 -5.4828 -5.4689 -5.4689 -0.3670 -0.3670 1.4984 1.4984 1.5674 1.5674 8.1403 8.1403 8.4127 8.4127 8.5276 8.5276 9.1860 9.1860 9.3548 9.3548 9.6105 9.6105 10.1270 10.1270 10.4248 10.4248 10.5117 10.5117 12.9145 12.9145 12.9587 12.9587 13.1803 13.1803 15.1683 15.1683 k =-0.1071 0.1070 0.0000 ( 2648 PWs) bands (ev): -45.6487 -45.6487 -22.3455 -22.3455 -21.6919 -21.6919 -21.6860 -21.6860 -13.8452 -13.8452 -6.1659 -6.1659 -5.4801 -5.4801 -5.4679 -5.4679 -0.3600 -0.3600 1.5015 1.5015 1.5816 1.5816 8.0977 8.0977 8.3905 8.3905 8.5127 8.5127 9.1295 9.1295 9.3185 9.3185 9.6125 9.6125 10.0693 10.0693 10.3987 10.3987 10.4871 10.4871 12.9463 12.9463 12.9989 12.9989 13.2197 13.2197 15.1930 15.1930 k =-0.1161 0.1159 0.0000 ( 2646 PWs) bands (ev): -45.6486 -45.6486 -22.3461 -22.3461 -21.6929 -21.6929 -21.6863 -21.6863 -13.8405 -13.8405 -6.1674 -6.1674 -5.4769 -5.4769 -5.4668 -5.4668 -0.3528 -0.3528 1.5047 1.5047 1.5963 1.5963 8.0516 8.0516 8.3671 8.3671 8.4971 8.4971 9.0711 9.0711 9.2804 9.2804 9.6150 9.6150 10.0088 10.0088 10.3721 10.3721 10.4619 10.4619 12.9800 12.9800 13.0412 13.0412 13.2610 13.2610 15.2187 15.2187 k =-0.1250 0.1248 0.0000 ( 2646 PWs) bands (ev): -45.6486 -45.6486 -22.3468 -22.3468 -21.6940 -21.6940 -21.6867 -21.6867 -13.8355 -13.8355 -6.1690 -6.1690 -5.4734 -5.4734 -5.4656 -5.4656 -0.3454 -0.3454 1.5082 1.5082 1.6114 1.6114 8.0024 8.0024 8.3422 8.3422 8.4811 8.4811 9.0110 9.0110 9.2409 9.2409 9.6180 9.6180 9.9463 9.9463 10.3449 10.3449 10.4366 10.4366 13.0156 13.0156 13.0853 13.0853 13.3038 13.3038 15.2451 15.2451 k =-0.1339 0.1337 0.0000 ( 2658 PWs) bands (ev): -45.6485 -45.6485 -22.3475 -22.3475 -21.6953 -21.6953 -21.6870 -21.6870 -13.8302 -13.8302 -6.1704 -6.1704 -5.4697 -5.4697 -5.4640 -5.4640 -0.3379 -0.3379 1.5118 1.5118 1.6265 1.6265 7.9509 7.9509 8.3154 8.3154 8.4647 8.4647 8.9494 8.9494 9.2002 9.2002 9.6215 9.6215 9.8826 9.8826 10.3170 10.3170 10.4118 10.4118 13.0529 13.0529 13.1309 13.1309 13.3479 13.3479 15.2721 15.2721 k =-0.1429 0.1426 0.0000 ( 2666 PWs) bands (ev): -45.6485 -45.6485 -22.3483 -22.3483 -21.6965 -21.6965 -21.6874 -21.6874 -13.8247 -13.8247 -6.1718 -6.1718 -5.4662 -5.4662 -5.4618 -5.4618 -0.3304 -0.3304 1.5156 1.5156 1.6417 1.6417 7.8973 7.8973 8.2866 8.2866 8.4481 8.4481 8.8866 8.8866 9.1584 9.1584 9.6256 9.6256 9.8184 9.8184 10.2880 10.2880 10.3880 10.3880 13.0918 13.0918 13.1777 13.1777 13.3932 13.3932 15.2995 15.2995 k =-0.1518 0.1515 0.0000 ( 2666 PWs) bands (ev): -45.6484 -45.6484 -22.3490 -22.3490 -21.6979 -21.6979 -21.6878 -21.6878 -13.8190 -13.8190 -6.1730 -6.1730 -5.4637 -5.4637 -5.4582 -5.4582 -0.3230 -0.3230 1.5195 1.5195 1.6566 1.6566 7.8423 7.8423 8.2557 8.2557 8.4314 8.4314 8.8226 8.8226 9.1158 9.1158 9.6303 9.6303 9.7546 9.7546 10.2578 10.2578 10.3661 10.3661 13.1322 13.1322 13.2256 13.2256 13.4395 13.4395 15.3272 15.3272 k =-0.1607 0.1605 0.0000 ( 2670 PWs) bands (ev): -45.6484 -45.6484 -22.3498 -22.3498 -21.6992 -21.6992 -21.6882 -21.6882 -13.8132 -13.8132 -6.1739 -6.1739 -5.4618 -5.4618 -5.4534 -5.4534 -0.3156 -0.3156 1.5236 1.5236 1.6711 1.6711 7.7862 7.7862 8.2225 8.2225 8.4147 8.4147 8.7575 8.7575 9.0726 9.0726 9.6353 9.6353 9.6921 9.6921 10.2260 10.2260 10.3465 10.3465 13.1739 13.1739 13.2742 13.2742 13.4866 13.4866 15.3550 15.3550 k =-0.1696 0.1694 0.0000 ( 2670 PWs) bands (ev): -45.6483 -45.6483 -22.3506 -22.3506 -21.7006 -21.7006 -21.6886 -21.6886 -13.8071 -13.8071 -6.1746 -6.1746 -5.4602 -5.4602 -5.4481 -5.4481 -0.3084 -0.3084 1.5278 1.5278 1.6850 1.6850 7.7296 7.7296 8.1871 8.1871 8.3980 8.3980 8.6913 8.6913 9.0289 9.0289 9.6278 9.6278 9.6446 9.6446 10.1925 10.1925 10.3295 10.3295 13.2168 13.2168 13.3234 13.3234 13.5343 13.5343 15.3827 15.3827 k =-0.1786 0.1783 0.0000 ( 2674 PWs) bands (ev): -45.6483 -45.6483 -22.3515 -22.3515 -21.7021 -21.7021 -21.6890 -21.6890 -13.8009 -13.8009 -6.1750 -6.1750 -5.4586 -5.4586 -5.4423 -5.4423 -0.3014 -0.3014 1.5321 1.5321 1.6982 1.6982 7.6726 7.6726 8.1496 8.1496 8.3811 8.3811 8.6241 8.6241 8.9849 8.9849 9.5715 9.5715 9.6489 9.6489 10.1575 10.1575 10.3153 10.3153 13.2607 13.2607 13.3729 13.3729 13.5827 13.5827 15.4103 15.4103 k =-0.1875 0.1872 0.0000 ( 2672 PWs) bands (ev): -45.6482 -45.6482 -22.3523 -22.3523 -21.7036 -21.7036 -21.6894 -21.6894 -13.7946 -13.7946 -6.1749 -6.1749 -5.4570 -5.4570 -5.4362 -5.4362 -0.2947 -0.2947 1.5364 1.5364 1.7105 1.7105 7.6157 7.6158 8.1102 8.1102 8.3638 8.3638 8.5562 8.5562 8.9409 8.9409 9.5165 9.5165 9.6558 9.6558 10.1211 10.1211 10.3040 10.3040 13.3056 13.3056 13.4226 13.4226 13.6315 13.6315 15.4376 15.4376 k =-0.1964 0.1961 0.0000 ( 2668 PWs) bands (ev): -45.6482 -45.6482 -22.3531 -22.3531 -21.7050 -21.7050 -21.6898 -21.6898 -13.7883 -13.7883 -6.1743 -6.1743 -5.4554 -5.4554 -5.4299 -5.4299 -0.2884 -0.2884 1.5407 1.5407 1.7217 1.7217 7.5592 7.5592 8.0690 8.0690 8.3455 8.3455 8.4882 8.4882 8.8969 8.8969 9.4654 9.4654 9.6633 9.6633 10.0835 10.0835 10.2956 10.2956 13.3512 13.3512 13.4723 13.4723 13.6807 13.6807 15.4645 15.4645 k =-0.2054 0.2050 0.0000 ( 2668 PWs) bands (ev): -45.6481 -45.6481 -22.3540 -22.3540 -21.7066 -21.7066 -21.6902 -21.6902 -13.7818 -13.7818 -6.1732 -6.1732 -5.4537 -5.4537 -5.4234 -5.4234 -0.2823 -0.2823 1.5450 1.5450 1.7318 1.7318 7.5033 7.5033 8.0261 8.0261 8.3242 8.3242 8.4220 8.4220 8.8531 8.8531 9.4188 9.4188 9.6713 9.6713 10.0449 10.0449 10.2899 10.2899 13.3975 13.3975 13.5219 13.5219 13.7301 13.7301 15.4909 15.4909 k =-0.2143 0.2139 0.0000 ( 2668 PWs) bands (ev): -45.6480 -45.6480 -22.3549 -22.3549 -21.7081 -21.7081 -21.6906 -21.6906 -13.7753 -13.7753 -6.1715 -6.1715 -5.4520 -5.4520 -5.4169 -5.4169 -0.2767 -0.2767 1.5492 1.5492 1.7408 1.7408 7.4481 7.4481 7.9820 7.9820 8.2930 8.2930 8.3645 8.3645 8.8096 8.8096 9.3771 9.3771 9.6796 9.6796 10.0055 10.0055 10.2869 10.2869 13.4443 13.4443 13.5711 13.5711 13.7797 13.7797 15.5167 15.5167 k =-0.2232 0.2229 0.0000 ( 2668 PWs) bands (ev): -45.6480 -45.6480 -22.3559 -22.3559 -21.7097 -21.7097 -21.6910 -21.6910 -13.7688 -13.7688 -6.1692 -6.1692 -5.4503 -5.4503 -5.4103 -5.4103 -0.2714 -0.2714 1.5533 1.5533 1.7484 1.7484 7.3938 7.3938 7.9366 7.9366 8.2407 8.2407 8.3272 8.3272 8.7665 8.7665 9.3408 9.3408 9.6883 9.6883 9.9657 9.9657 10.2865 10.2865 13.4915 13.4915 13.6199 13.6199 13.8294 13.8294 15.5418 15.5418 k =-0.2321 0.2318 0.0000 ( 2672 PWs) bands (ev): -45.6479 -45.6479 -22.3568 -22.3568 -21.7113 -21.7113 -21.6915 -21.6915 -13.7623 -13.7623 -6.1661 -6.1661 -5.4486 -5.4486 -5.4037 -5.4037 -0.2667 -0.2667 1.5571 1.5571 1.7548 1.7548 7.3406 7.3406 7.8904 7.8904 8.1734 8.1734 8.3040 8.3040 8.7239 8.7239 9.3102 9.3102 9.6973 9.6973 9.9255 9.9255 10.2885 10.2885 13.5389 13.5389 13.6680 13.6680 13.8790 13.8790 15.5662 15.5662 k =-0.2411 0.2407 0.0000 ( 2666 PWs) bands (ev): -45.6478 -45.6478 -22.3577 -22.3577 -21.7129 -21.7129 -21.6918 -21.6918 -13.7558 -13.7558 -6.1623 -6.1623 -5.4468 -5.4468 -5.3973 -5.3973 -0.2623 -0.2623 1.5606 1.5606 1.7600 1.7600 7.2886 7.2886 7.8434 7.8434 8.1006 8.1006 8.2856 8.2856 8.6820 8.6820 9.2856 9.2856 9.7063 9.7063 9.8853 9.8853 10.2928 10.2928 13.5864 13.5864 13.7155 13.7155 13.9286 13.9286 15.5899 15.5899 k =-0.2500 0.2496 0.0000 ( 2666 PWs) bands (ev): -45.6478 -45.6478 -22.3586 -22.3586 -21.7145 -21.7145 -21.6923 -21.6923 -13.7494 -13.7494 -6.1576 -6.1576 -5.4450 -5.4450 -5.3911 -5.3911 -0.2585 -0.2585 1.5638 1.5638 1.7640 1.7640 7.2378 7.2378 7.7960 7.7960 8.0257 8.0257 8.2689 8.2689 8.6409 8.6409 9.2669 9.2669 9.7151 9.7151 9.8454 9.8454 10.2993 10.2993 13.6339 13.6339 13.7621 13.7621 13.9780 13.9780 15.6127 15.6127 k =-0.2589 0.2585 0.0000 ( 2670 PWs) bands (ev): -45.6477 -45.6477 -22.3596 -22.3596 -21.7161 -21.7161 -21.6927 -21.6927 -13.7431 -13.7431 -6.1522 -6.1522 -5.4432 -5.4432 -5.3852 -5.3852 -0.2552 -0.2552 1.5665 1.5665 1.7669 1.7669 7.1882 7.1882 7.7483 7.7483 7.9499 7.9499 8.2531 8.2531 8.6005 8.6005 9.2541 9.2541 9.7227 9.7227 9.8069 9.8069 10.3078 10.3078 13.6812 13.6812 13.8078 13.8078 14.0270 14.0270 15.6346 15.6346 k =-0.2679 0.2674 0.0000 ( 2670 PWs) bands (ev): -45.6476 -45.6476 -22.3605 -22.3605 -21.7177 -21.7177 -21.6931 -21.6931 -13.7368 -13.7368 -6.1458 -6.1458 -5.4414 -5.4414 -5.3796 -5.3796 -0.2523 -0.2523 1.5686 1.5686 1.7689 1.7689 7.1400 7.1400 7.7006 7.7006 7.8737 7.8737 8.2378 8.2378 8.5611 8.5611 9.2473 9.2473 9.7252 9.7252 9.7740 9.7740 10.3182 10.3182 13.7282 13.7282 13.8524 13.8524 14.0757 14.0757 15.6556 15.6556 k =-0.2768 0.2763 0.0000 ( 2666 PWs) bands (ev): -45.6476 -45.6476 -22.3614 -22.3614 -21.7192 -21.7192 -21.6935 -21.6935 -13.7307 -13.7307 -6.1386 -6.1386 -5.4396 -5.4396 -5.3744 -5.3744 -0.2500 -0.2500 1.5700 1.5700 1.7701 1.7701 7.0930 7.0930 7.6531 7.6531 7.7976 7.7976 8.2229 8.2229 8.5227 8.5227 9.2463 9.2463 9.7079 9.7079 9.7613 9.7613 10.3302 10.3302 13.7748 13.7748 13.8960 13.8960 14.1239 14.1239 15.6757 15.6757 k =-0.2857 0.2853 0.0000 ( 2666 PWs) bands (ev): -45.6475 -45.6475 -22.3623 -22.3623 -21.7207 -21.7207 -21.6939 -21.6939 -13.7247 -13.7247 -6.1305 -6.1305 -5.4378 -5.4378 -5.3698 -5.3698 -0.2482 -0.2482 1.5705 1.5705 1.7707 1.7707 7.0474 7.0474 7.6059 7.6059 7.7221 7.7221 8.2084 8.2084 8.4852 8.4852 9.2509 9.2509 9.6741 9.6741 9.7657 9.7657 10.3438 10.3438 13.8209 13.8209 13.9383 13.9383 14.1714 14.1714 15.6948 15.6948 k =-0.2946 0.2942 0.0000 ( 2668 PWs) bands (ev): -45.6474 -45.6474 -22.3632 -22.3632 -21.7223 -21.7223 -21.6943 -21.6943 -13.7188 -13.7188 -6.1214 -6.1214 -5.4360 -5.4360 -5.3657 -5.3657 -0.2469 -0.2469 1.5701 1.5701 1.7710 1.7710 7.0032 7.0032 7.5593 7.5593 7.6474 7.6474 8.1942 8.1942 8.4490 8.4490 9.2607 9.2607 9.6368 9.6368 9.7742 9.7742 10.3587 10.3587 13.8662 13.8662 13.9794 13.9794 14.2182 14.2182 15.7129 15.7129 k =-0.3036 0.3031 0.0000 ( 2668 PWs) bands (ev): -45.6474 -45.6474 -22.3641 -22.3641 -21.7238 -21.7238 -21.6946 -21.6946 -13.7131 -13.7131 -6.1115 -6.1115 -5.4342 -5.4342 -5.3622 -5.3622 -0.2460 -0.2460 1.5687 1.5687 1.7711 1.7711 6.9603 6.9603 7.5132 7.5132 7.5741 7.5741 8.1803 8.1803 8.4138 8.4138 9.2756 9.2756 9.5993 9.5993 9.7838 9.7838 10.3748 10.3748 13.9108 13.9108 14.0191 14.0191 14.2642 14.2642 15.7299 15.7299 k =-0.3125 0.3120 0.0000 ( 2670 PWs) bands (ev): -45.6473 -45.6473 -22.3650 -22.3650 -21.7252 -21.7252 -21.6950 -21.6950 -13.7076 -13.7076 -6.1007 -6.1007 -5.4325 -5.4325 -5.3594 -5.3594 -0.2456 -0.2456 1.5662 1.5662 1.7713 1.7713 6.9188 6.9188 7.4677 7.4677 7.5027 7.5027 8.1667 8.1667 8.3799 8.3799 9.2950 9.2950 9.5622 9.5622 9.7938 9.7938 10.3918 10.3918 13.9544 13.9544 14.0575 14.0575 14.3092 14.3092 15.7460 15.7460 k =-0.3214 0.3209 0.0000 ( 2678 PWs) bands (ev): -45.6473 -45.6473 -22.3659 -22.3659 -21.7267 -21.7267 -21.6954 -21.6954 -13.7023 -13.7023 -6.0890 -6.0890 -5.4308 -5.4308 -5.3574 -5.3574 -0.2457 -0.2457 1.5625 1.5625 1.7716 1.7716 6.8786 6.8786 7.4204 7.4204 7.4358 7.4358 8.1535 8.1535 8.3473 8.3473 9.3185 9.3185 9.5259 9.5259 9.8039 9.8039 10.4096 10.4096 13.9969 13.9969 14.0943 14.0943 14.3531 14.3531 15.7611 15.7611 k =-0.3304 0.3298 0.0000 ( 2678 PWs) bands (ev): -45.6472 -45.6472 -22.3667 -22.3667 -21.7281 -21.7281 -21.6958 -21.6958 -13.6971 -13.6971 -6.0766 -6.0766 -5.4291 -5.4291 -5.3561 -5.3561 -0.2462 -0.2462 1.5578 1.5578 1.7723 1.7723 6.8399 6.8399 7.3602 7.3602 7.3852 7.3852 8.1406 8.1406 8.3160 8.3160 9.3457 9.3457 9.4907 9.4907 9.8141 9.8141 10.4279 10.4279 14.0382 14.0382 14.1297 14.1297 14.3958 14.3958 15.7752 15.7752 k =-0.3393 0.3387 0.0000 ( 2678 PWs) bands (ev): -45.6472 -45.6472 -22.3675 -22.3675 -21.7294 -21.7294 -21.6961 -21.6961 -13.6922 -13.6922 -6.0633 -6.0633 -5.4275 -5.4275 -5.3557 -5.3557 -0.2470 -0.2470 1.5520 1.5520 1.7734 1.7734 6.8026 6.8026 7.2954 7.2954 7.3428 7.3428 8.1280 8.1280 8.2861 8.2861 9.3759 9.3759 9.4570 9.4570 9.8243 9.8243 10.4467 10.4467 14.0783 14.0783 14.1635 14.1635 14.4371 14.4371 15.7882 15.7882 k =-0.3482 0.3477 0.0000 ( 2678 PWs) bands (ev): -45.6471 -45.6471 -22.3682 -22.3682 -21.7307 -21.7307 -21.6964 -21.6964 -13.6876 -13.6876 -6.0494 -6.0494 -5.4259 -5.4259 -5.3561 -5.3561 -0.2482 -0.2482 1.5452 1.5452 1.7749 1.7749 6.7667 6.7667 7.2323 7.2323 7.3028 7.3028 8.1159 8.1159 8.2576 8.2576 9.4052 9.4052 9.4280 9.4280 9.8345 9.8345 10.4657 10.4657 14.1169 14.1169 14.1957 14.1957 14.4769 14.4769 15.8003 15.8003 k =-0.3571 0.3566 0.0000 ( 2668 PWs) bands (ev): -45.6470 -45.6470 -22.3689 -22.3689 -21.7319 -21.7319 -21.6967 -21.6967 -13.6831 -13.6831 -6.0348 -6.0348 -5.4244 -5.4244 -5.3573 -5.3573 -0.2497 -0.2497 1.5377 1.5377 1.7767 1.7767 6.7323 6.7323 7.1718 7.1718 7.2646 7.2646 8.1042 8.1042 8.2306 8.2306 9.3896 9.3896 9.4475 9.4475 9.8446 9.8446 10.4848 10.4848 14.1540 14.1540 14.2263 14.2263 14.5152 14.5152 15.8114 15.8114 k =-0.3661 0.3655 0.0000 ( 2668 PWs) bands (ev): -45.6470 -45.6470 -22.3696 -22.3696 -21.7331 -21.7331 -21.6970 -21.6970 -13.6789 -13.6789 -6.0196 -6.0196 -5.4230 -5.4230 -5.3593 -5.3593 -0.2515 -0.2515 1.5296 1.5296 1.7790 1.7790 6.6995 6.6995 7.1142 7.1142 7.2282 7.2282 8.0930 8.0930 8.2050 8.2050 9.3604 9.3604 9.4837 9.4837 9.8546 9.8546 10.5036 10.5036 14.1894 14.1894 14.2552 14.2552 14.5517 14.5517 15.8216 15.8216 k =-0.3750 0.3744 0.0000 ( 2664 PWs) bands (ev): -45.6469 -45.6469 -22.3703 -22.3703 -21.7342 -21.7342 -21.6973 -21.6973 -13.6749 -13.6749 -6.0041 -6.0041 -5.4216 -5.4216 -5.3622 -5.3622 -0.2534 -0.2534 1.5211 1.5211 1.7815 1.7815 6.6681 6.6681 7.0597 7.0597 7.1936 7.1936 8.0823 8.0823 8.1809 8.1809 9.3320 9.3320 9.5215 9.5215 9.8646 9.8646 10.5222 10.5222 14.2230 14.2230 14.2824 14.2824 14.5864 14.5864 15.8308 15.8308 k =-0.3839 0.3833 0.0000 ( 2668 PWs) bands (ev): -45.6469 -45.6469 -22.3709 -22.3709 -21.7353 -21.7353 -21.6975 -21.6975 -13.6712 -13.6712 -5.9881 -5.9881 -5.4204 -5.4204 -5.3659 -5.3659 -0.2556 -0.2556 1.5124 1.5124 1.7842 1.7842 6.6383 6.6383 7.0085 7.0085 7.1611 7.1611 8.0720 8.0720 8.1584 8.1584 9.3053 9.3053 9.5598 9.5598 9.8745 9.8745 10.5403 10.5403 14.2548 14.2548 14.3079 14.3079 14.6191 14.6191 15.8392 15.8392 k =-0.3929 0.3922 0.0000 ( 2670 PWs) bands (ev): -45.6469 -45.6469 -22.3715 -22.3715 -21.7363 -21.7363 -21.6978 -21.6978 -13.6678 -13.6678 -5.9720 -5.9720 -5.4193 -5.4193 -5.3702 -5.3702 -0.2578 -0.2578 1.5036 1.5036 1.7871 1.7871 6.6102 6.6102 6.9608 6.9608 7.1306 7.1306 8.0624 8.0624 8.1375 8.1375 9.2801 9.2801 9.5977 9.5977 9.8844 9.8844 10.5578 10.5578 14.2845 14.2845 14.3316 14.3316 14.6497 14.6497 15.8467 15.8467 k =-0.4018 0.4011 0.0000 ( 2672 PWs) bands (ev): -45.6468 -45.6468 -22.3721 -22.3721 -21.7372 -21.7372 -21.6980 -21.6980 -13.6646 -13.6646 -5.9559 -5.9559 -5.4184 -5.4184 -5.3751 -5.3751 -0.2601 -0.2601 1.4950 1.4950 1.7901 1.7901 6.5838 6.5838 6.9168 6.9168 7.1023 7.1023 8.0533 8.0533 8.1181 8.1181 9.2568 9.2568 9.6347 9.6347 9.8943 9.8943 10.5744 10.5744 14.3122 14.3122 14.3536 14.3536 14.6781 14.6781 15.8534 15.8534 k =-0.4107 0.4101 0.0000 ( 2668 PWs) bands (ev): -45.6468 -45.6468 -22.3726 -22.3726 -21.7380 -21.7380 -21.6982 -21.6982 -13.6617 -13.6617 -5.9398 -5.9398 -5.4177 -5.4177 -5.3805 -5.3805 -0.2625 -0.2625 1.4866 1.4866 1.7930 1.7930 6.5591 6.5591 6.8764 6.8764 7.0761 7.0761 8.0449 8.0449 8.1004 8.1004 9.2353 9.2353 9.6700 9.6700 9.9044 9.9044 10.5902 10.5902 14.3377 14.3377 14.3739 14.3739 14.7044 14.7044 15.8593 15.8593 k =-0.4196 0.4190 0.0000 ( 2676 PWs) bands (ev): -45.6468 -45.6468 -22.3731 -22.3731 -21.7389 -21.7389 -21.6984 -21.6984 -13.6591 -13.6591 -5.9241 -5.9241 -5.4172 -5.4172 -5.3862 -5.3862 -0.2647 -0.2647 1.4786 1.4786 1.7959 1.7959 6.5363 6.5363 6.8399 6.8399 7.0523 7.0523 8.0371 8.0371 8.0843 8.0843 9.2156 9.2156 9.7028 9.7028 9.9146 9.9146 10.6048 10.6048 14.3609 14.3609 14.3924 14.3924 14.7282 14.7282 15.8645 15.8645 k =-0.4286 0.4279 0.0000 ( 2674 PWs) bands (ev): -45.6467 -45.6467 -22.3735 -22.3735 -21.7396 -21.7396 -21.6986 -21.6986 -13.6567 -13.6567 -5.9089 -5.9089 -5.4172 -5.4172 -5.3918 -5.3918 -0.2669 -0.2669 1.4712 1.4712 1.7986 1.7986 6.5155 6.5155 6.8072 6.8072 7.0308 7.0308 8.0300 8.0300 8.0698 8.0698 9.1980 9.1980 9.7327 9.7327 9.9252 9.9252 10.6183 10.6183 14.3816 14.3816 14.4092 14.4092 14.7497 14.7497 15.8691 15.8691 k =-0.4375 0.4368 0.0000 ( 2674 PWs) bands (ev): -45.6467 -45.6467 -22.3739 -22.3739 -21.7402 -21.7402 -21.6987 -21.6987 -13.6546 -13.6546 -5.8945 -5.8945 -5.4179 -5.4179 -5.3969 -5.3969 -0.2690 -0.2690 1.4644 1.4644 1.8012 1.8012 6.4967 6.4967 6.7785 6.7785 7.0117 7.0117 8.0237 8.0237 8.0570 8.0570 9.1823 9.1823 9.7590 9.7590 9.9360 9.9360 10.6305 10.6305 14.3999 14.3999 14.4243 14.4243 14.7687 14.7687 15.8729 15.8729 k =-0.4464 0.4457 0.0000 ( 2670 PWs) bands (ev): -45.6467 -45.6467 -22.3742 -22.3742 -21.7407 -21.7407 -21.6989 -21.6989 -13.6528 -13.6528 -5.8811 -5.8811 -5.4197 -5.4197 -5.4009 -5.4009 -0.2709 -0.2709 1.4584 1.4584 1.8035 1.8035 6.4801 6.4801 6.7536 6.7536 6.9950 6.9950 8.0181 8.0181 8.0459 8.0459 9.1686 9.1686 9.7814 9.7814 9.9469 9.9469 10.6412 10.6412 14.4156 14.4156 14.4376 14.4376 14.7853 14.7853 15.8762 15.8762 k =-0.4554 0.4546 0.0000 ( 2678 PWs) bands (ev): -45.6467 -45.6467 -22.3745 -22.3745 -21.7412 -21.7412 -21.6990 -21.6990 -13.6512 -13.6512 -5.8691 -5.8691 -5.4226 -5.4226 -5.4036 -5.4036 -0.2725 -0.2725 1.4532 1.4532 1.8055 1.8055 6.4658 6.4658 6.7327 6.7327 6.9808 6.9808 8.0134 8.0134 8.0365 8.0365 9.1570 9.1570 9.7997 9.7997 9.9575 9.9575 10.6505 10.6505 14.4288 14.4288 14.4492 14.4492 14.7993 14.7993 15.8789 15.8789 k =-0.4643 0.4635 0.0000 ( 2678 PWs) bands (ev): -45.6467 -45.6467 -22.3748 -22.3748 -21.7416 -21.7416 -21.6991 -21.6991 -13.6500 -13.6500 -5.8587 -5.8587 -5.4262 -5.4262 -5.4050 -5.4050 -0.2739 -0.2739 1.4488 1.4488 1.8072 1.8072 6.4539 6.4539 6.7156 6.7156 6.9692 6.9692 8.0094 8.0094 8.0288 8.0288 9.1475 9.1475 9.8141 9.8141 9.9675 9.9675 10.6581 10.6581 14.4394 14.4394 14.4588 14.4588 14.8108 14.8108 15.8810 15.8810 k =-0.4732 0.4725 0.0000 ( 2686 PWs) bands (ev): -45.6466 -45.6466 -22.3750 -22.3750 -21.7420 -21.7420 -21.6992 -21.6992 -13.6490 -13.6490 -5.8502 -5.8502 -5.4298 -5.4298 -5.4057 -5.4057 -0.2750 -0.2750 1.4454 1.4454 1.8085 1.8085 6.4445 6.4445 6.7023 6.7023 6.9601 6.9601 8.0064 8.0064 8.0228 8.0228 9.1401 9.1401 9.8247 9.8247 9.9761 9.9761 10.6642 10.6642 14.4475 14.4475 14.4666 14.4666 14.8198 14.8198 15.8827 15.8827 k =-0.4821 0.4814 0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3751 -22.3751 -21.7421 -21.7421 -21.6992 -21.6992 -13.6483 -13.6483 -5.8439 -5.8439 -5.4327 -5.4327 -5.4060 -5.4060 -0.2759 -0.2759 1.4429 1.4429 1.8095 1.8095 6.4377 6.4377 6.6929 6.6929 6.9536 6.9536 8.0041 8.0041 8.0185 8.0185 9.1348 9.1348 9.8321 9.8321 9.9828 9.9828 10.6685 10.6685 14.4532 14.4532 14.4722 14.4722 14.8262 14.8262 15.8838 15.8838 k =-0.4911 0.4903 0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6479 -13.6479 -5.8401 -5.8401 -5.4346 -5.4346 -5.4062 -5.4062 -0.2764 -0.2764 1.4414 1.4414 1.8101 1.8101 6.4336 6.4336 6.6873 6.6873 6.9497 6.9497 8.0028 8.0028 8.0159 8.0159 9.1316 9.1316 9.8363 9.8363 9.9870 9.9870 10.6712 10.6712 14.4566 14.4566 14.4756 14.4756 14.8300 14.8300 15.8845 15.8845 k =-0.5000 0.4992 0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8387 -5.8387 -5.4353 -5.4353 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4322 6.6854 6.6854 6.9484 6.9484 8.0023 8.0023 8.0150 8.0150 9.1305 9.1305 9.8377 9.8377 9.9885 9.9885 10.6720 10.6720 14.4577 14.4577 14.4767 14.4767 14.8313 14.8313 15.8848 15.8848 k =-0.5000 0.4992 0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8387 -5.8387 -5.4353 -5.4353 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4322 6.6854 6.6854 6.9484 6.9484 8.0023 8.0023 8.0150 8.0150 9.1305 9.1305 9.8377 9.8377 9.9885 9.9885 10.6720 10.6720 14.4577 14.4577 14.4767 14.4767 14.8313 14.8313 15.8848 15.8848 k =-0.4992 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8388 -5.8387 -5.4354 -5.4352 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4323 6.6853 6.6854 6.9484 6.9484 8.0022 8.0024 8.0150 8.0151 9.1305 9.1305 9.8374 9.8380 9.9881 9.9888 10.6720 10.6721 14.4576 14.4578 14.4766 14.4768 14.8312 14.8313 15.8848 15.8848 k =-0.4992 0.5000-0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8388 -5.8387 -5.4354 -5.4352 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4323 6.6853 6.6854 6.9484 6.9484 8.0022 8.0024 8.0150 8.0151 9.1305 9.1305 9.8374 9.8380 9.9881 9.9888 10.6720 10.6721 14.4576 14.4578 14.4766 14.4768 14.8312 14.8313 15.8848 15.8848 k =-0.4992 0.5000 0.0126 ( 2678 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6994 -21.6993 -13.6476 -13.6476 -5.8380 -5.8378 -5.4354 -5.4346 -5.4060 -5.4059 -0.2813 -0.2742 1.4394 1.4395 1.8034 1.8125 6.4322 6.4324 6.6880 6.6894 6.9484 6.9485 8.0019 8.0045 8.0161 8.0164 9.1256 9.1259 9.8380 9.8394 9.9886 9.9894 10.6720 10.6722 14.4580 14.4590 14.4772 14.4777 14.8316 14.8317 15.8898 15.8906 k =-0.4992 0.5000 0.0251 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3753 -22.3752 -21.7423 -21.7423 -21.6996 -21.6994 -13.6473 -13.6473 -5.8354 -5.8350 -5.4350 -5.4333 -5.4052 -5.4051 -0.2885 -0.2743 1.4349 1.4352 1.7918 1.8098 6.4323 6.4326 6.6971 6.7000 6.9485 6.9485 8.0031 8.0085 8.0196 8.0203 9.1113 9.1117 9.8404 9.8431 9.9902 9.9910 10.6723 10.6725 14.4599 14.4619 14.4793 14.4802 14.8327 14.8328 15.9057 15.9073 k =-0.4992 0.5000 0.0377 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3755 -22.3753 -21.7423 -21.7422 -21.7000 -21.6997 -13.6467 -13.6467 -5.8311 -5.8305 -5.4340 -5.4314 -5.4040 -5.4037 -0.2981 -0.2770 1.4276 1.4280 1.7757 1.8024 6.4325 6.4329 6.7128 6.7170 6.9486 6.9487 8.0056 8.0140 8.0256 8.0269 9.0877 9.0884 9.8448 9.8487 9.9929 9.9938 10.6727 10.6730 14.4634 14.4663 14.4829 14.4843 14.8345 14.8346 15.9322 15.9345 k =-0.4992 0.5000 0.0503 ( 2674 PWs) bands (ev): -45.6466 -45.6466 -22.3756 -22.3754 -21.7422 -21.7422 -21.7004 -21.7001 -13.6458 -13.6458 -5.8250 -5.8243 -5.4324 -5.4290 -5.4022 -5.4019 -0.3099 -0.2820 1.4175 1.4181 1.7552 1.7904 6.4327 6.4333 6.7349 6.7402 6.9488 6.9489 8.0092 8.0207 8.0342 8.0362 9.0554 9.0562 9.8511 9.8563 9.9967 9.9976 10.6733 10.6737 14.4684 14.4722 14.4883 14.4901 14.8369 14.8371 15.9688 15.9717 k =-0.4992 0.5000 0.0628 ( 2674 PWs) bands (ev): -45.6466 -45.6466 -22.3759 -22.3755 -21.7422 -21.7422 -21.7011 -21.7007 -13.6447 -13.6447 -5.8173 -5.8163 -5.4303 -5.4260 -5.3999 -5.3995 -0.3240 -0.2895 1.4046 1.4054 1.7306 1.7740 6.4331 6.4338 6.7631 6.7692 6.9491 6.9492 8.0138 8.0281 8.0456 8.0481 9.0150 9.0158 9.8595 9.8658 10.0016 10.0025 10.6741 10.6745 14.4749 14.4794 14.4955 14.4977 14.8401 14.8404 16.0150 16.0185 k =-0.4992 0.5000 0.0754 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3761 -22.3757 -21.7421 -21.7421 -21.7018 -21.7013 -13.6434 -13.6434 -5.8078 -5.8067 -5.4276 -5.4225 -5.3971 -5.3966 -0.3402 -0.2992 1.3892 1.3901 1.7023 1.7533 6.4336 6.4343 6.7970 6.8038 6.9494 6.9496 8.0192 8.0363 8.0595 8.0624 8.9670 8.9678 9.8698 9.8773 10.0077 10.0086 10.6750 10.6755 14.4828 14.4879 14.5047 14.5072 14.8440 14.8442 16.0701 16.0740 k =-0.4992 0.5000 0.0880 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3764 -22.3760 -21.7421 -21.7420 -21.7026 -21.7021 -13.6419 -13.6419 -5.7968 -5.7955 -5.4244 -5.4185 -5.3938 -5.3932 -0.3585 -0.3113 1.3711 1.3724 1.6705 1.7286 6.4340 6.4348 6.8365 6.8435 6.9498 6.9501 8.0252 8.0451 8.0755 8.0788 8.9123 8.9130 9.8822 9.8907 10.0150 10.0159 10.6761 10.6767 14.4923 14.4976 14.5159 14.5185 14.8485 14.8488 16.1332 16.1375 k =-0.4992 0.5000 0.1006 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3768 -22.3763 -21.7420 -21.7420 -21.7036 -21.7030 -13.6402 -13.6402 -5.7842 -5.7827 -5.4207 -5.4140 -5.3900 -5.3894 -0.3786 -0.3255 1.3508 1.3524 1.6357 1.7003 6.4346 6.4353 6.8810 6.8877 6.9502 6.9507 8.0317 8.0542 8.0932 8.0969 8.8520 8.8524 9.8965 9.9061 10.0236 10.0245 10.6774 10.6781 14.5033 14.5086 14.5290 14.5317 14.8537 14.8539 16.2036 16.2082 k =-0.4992 0.5000 0.1131 ( 2664 PWs) bands (ev): -45.6465 -45.6465 -22.3771 -22.3766 -21.7419 -21.7419 -21.7047 -21.7040 -13.6383 -13.6383 -5.7701 -5.7684 -5.4165 -5.4090 -5.3858 -5.3851 -0.4004 -0.3418 1.3282 1.3301 1.5981 1.6687 6.4351 6.4359 6.9300 6.9348 6.9507 6.9530 8.0383 8.0635 8.1121 8.1163 8.7869 8.7870 9.9130 9.9234 10.0336 10.0344 10.6789 10.6796 14.5158 14.5210 14.5440 14.5466 14.8594 14.8597 16.2805 16.2852 k =-0.4992 0.5000 0.1257 ( 2660 PWs) bands (ev): -45.6464 -45.6464 -22.3775 -22.3769 -21.7418 -21.7418 -21.7058 -21.7051 -13.6361 -13.6361 -5.7546 -5.7527 -5.4119 -5.4036 -5.3811 -5.3804 -0.4238 -0.3600 1.3036 1.3060 1.5582 1.6341 6.4356 6.4364 6.9501 6.9512 6.9834 6.9904 8.0446 8.0723 8.1318 8.1366 8.7180 8.7187 9.9315 9.9426 10.0451 10.0458 10.6805 10.6813 14.5299 14.5348 14.5607 14.5631 14.8657 14.8659 16.3627 16.3676 k =-0.4992 0.5000 0.1383 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3780 -22.3774 -21.7417 -21.7417 -21.7072 -21.7064 -13.6339 -13.6338 -5.7377 -5.7356 -5.4068 -5.3978 -5.3760 -5.3752 -0.4487 -0.3801 1.2771 1.2800 1.5164 1.5969 6.4361 6.4368 6.9513 6.9518 7.0402 7.0456 8.0499 8.0799 8.1516 8.1571 8.6471 8.6488 9.9520 9.9638 10.0581 10.0588 10.6822 10.6831 14.5456 14.5501 14.5790 14.5812 14.8725 14.8727 16.4496 16.4545 k =-0.4992 0.5000 0.1508 ( 2672 PWs) bands (ev): -45.6464 -45.6464 -22.3785 -22.3778 -21.7417 -21.7416 -21.7085 -21.7077 -13.6314 -13.6314 -5.7196 -5.7173 -5.4013 -5.3916 -5.3705 -5.3696 -0.4747 -0.4018 1.2490 1.2524 1.4730 1.5574 6.4365 6.4372 6.9520 6.9523 7.1001 7.1038 8.0532 8.0850 8.1707 8.1770 8.5765 8.5799 9.9747 9.9870 10.0728 10.0734 10.6841 10.6850 14.5627 14.5668 14.5987 14.6007 14.8798 14.8800 16.5401 16.5449 k =-0.4992 0.5000 0.1634 ( 2666 PWs) bands (ev): -45.6463 -45.6463 -22.3790 -22.3783 -21.7415 -21.7415 -21.7099 -21.7090 -13.6288 -13.6288 -5.7003 -5.6978 -5.3955 -5.3851 -5.3646 -5.3637 -0.5019 -0.4251 1.2193 1.2234 1.4284 1.5161 6.4368 6.4374 6.9527 6.9530 7.1626 7.1642 8.0527 8.0853 8.1881 8.1948 8.5097 8.5157 9.9994 10.0120 10.0892 10.0897 10.6861 10.6871 14.5813 14.5849 14.6197 14.6216 14.8875 14.8877 16.6334 16.6381 k =-0.4992 0.5000 0.1760 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3795 -22.3788 -21.7415 -21.7414 -21.7114 -21.7104 -13.6261 -13.6261 -5.6800 -5.6773 -5.3893 -5.3783 -5.3584 -5.3574 -0.5299 -0.4497 1.1885 1.1933 1.3830 1.4732 6.4369 6.4375 6.9534 6.9536 7.2262 7.2271 8.0455 8.0766 8.2027 8.2087 8.4520 8.4616 10.0261 10.0389 10.1074 10.1078 10.6883 10.6892 14.6012 14.6044 14.6420 14.6437 14.8956 14.8957 16.7285 16.7330 k =-0.4992 0.5000 0.1885 ( 2670 PWs) bands (ev): -45.6462 -45.6462 -22.3801 -22.3793 -21.7413 -21.7413 -21.7129 -21.7120 -13.6232 -13.6232 -5.6587 -5.6558 -5.3829 -5.3713 -5.3518 -5.3508 -0.5587 -0.4755 1.1566 1.1622 1.3371 1.4290 6.4368 6.4374 6.9541 6.9543 7.2893 7.2930 8.0270 8.0535 8.2137 8.2167 8.4105 8.4237 10.0547 10.0676 10.1274 10.1279 10.6905 10.6915 14.6223 14.6251 14.6654 14.6669 14.9041 14.9041 16.8244 16.8288 k =-0.4992 0.5000 0.2011 ( 2664 PWs) bands (ev): -45.6462 -45.6462 -22.3806 -22.3798 -21.7412 -21.7411 -21.7145 -21.7135 -13.6203 -13.6203 -5.6366 -5.6335 -5.3762 -5.3640 -5.3448 -5.3440 -0.5879 -0.5023 1.1238 1.1304 1.2911 1.3840 6.4364 6.4370 6.9549 6.9551 7.3528 7.3597 7.9924 8.0123 8.2171 8.2242 8.3903 8.4050 10.0853 10.0980 10.1494 10.1499 10.6929 10.6939 14.6446 14.6470 14.6897 14.6911 14.9128 14.9128 16.9203 16.9245 k =-0.4992 0.5000 0.2137 ( 2664 PWs) bands (ev): -45.6461 -45.6461 -22.3812 -22.3804 -21.7411 -21.7410 -21.7161 -21.7151 -13.6173 -13.6172 -5.6139 -5.6105 -5.3692 -5.3566 -5.3377 -5.3368 -0.6175 -0.5300 1.0904 1.0980 1.2452 1.3384 6.4357 6.4362 6.9556 6.9558 7.4161 7.4267 7.9409 7.9549 8.2169 8.2335 8.3884 8.4023 10.1175 10.1300 10.1732 10.1737 10.6953 10.6963 14.6680 14.6699 14.7148 14.7161 14.9216 14.9218 17.0151 17.0192 k =-0.4992 0.5000 0.2262 ( 2666 PWs) bands (ev): -45.6461 -45.6461 -22.3818 -22.3809 -21.7410 -21.7409 -21.7178 -21.7167 -13.6142 -13.6142 -5.5906 -5.5869 -5.3622 -5.3492 -5.3302 -5.3295 -0.6473 -0.5584 1.0567 1.0653 1.1997 1.2926 6.4346 6.4350 6.9564 6.9566 7.4784 7.4932 7.8763 7.8866 8.2187 8.2442 8.3973 8.4095 10.1514 10.1635 10.1989 10.1995 10.6978 10.6989 14.6921 14.6937 14.7407 14.7419 14.9307 14.9309 17.1077 17.1117 k =-0.4992 0.5000 0.2388 ( 2668 PWs) bands (ev): -45.6460 -45.6460 -22.3824 -22.3815 -21.7408 -21.7408 -21.7194 -21.7183 -13.6110 -13.6110 -5.5668 -5.5628 -5.3550 -5.3416 -5.3226 -5.3220 -0.6769 -0.5873 1.0227 1.0325 1.1549 1.2467 6.4330 6.4334 6.9572 6.9573 7.5384 7.5583 7.8042 7.8130 8.2237 8.2565 8.4113 8.4220 10.1867 10.1982 10.2263 10.2270 10.7004 10.7014 14.7171 14.7183 14.7671 14.7682 14.9398 14.9401 17.1970 17.2009 k =-0.4992 0.5000 0.2514 ( 2668 PWs) bands (ev): -45.6460 -45.6460 -22.3830 -22.3821 -21.7407 -21.7406 -21.7211 -21.7200 -13.6079 -13.6079 -5.5428 -5.5385 -5.3477 -5.3340 -5.3148 -5.3143 -0.7064 -0.6165 0.9888 0.9998 1.1111 1.2011 6.4308 6.4312 6.9579 6.9581 7.5926 7.6197 7.7303 7.7408 8.2316 8.2701 8.4275 8.4369 10.2232 10.2341 10.2555 10.2562 10.7030 10.7040 14.7426 14.7436 14.7940 14.7951 14.9490 14.9494 17.2817 17.2858 k =-0.4992 0.5000 0.2640 ( 2666 PWs) bands (ev): -45.6459 -45.6459 -22.3836 -22.3827 -21.7406 -21.7405 -21.7227 -21.7216 -13.6047 -13.6047 -5.5187 -5.5141 -5.3405 -5.3265 -5.3069 -5.3065 -0.7354 -0.6458 0.9551 0.9674 1.0683 1.1559 6.4279 6.4282 6.9587 6.9589 7.6135 7.6356 7.6982 7.6988 8.2419 8.2851 8.4443 8.4526 10.2607 10.2709 10.2862 10.2870 10.7056 10.7066 14.7685 14.7693 14.8212 14.8222 14.9582 14.9586 17.3604 17.3648 k =-0.4992 0.5000 0.2765 ( 2666 PWs) bands (ev): -45.6459 -45.6459 -22.3842 -22.3834 -21.7405 -21.7404 -21.7243 -21.7232 -13.6016 -13.6016 -5.4946 -5.4896 -5.3332 -5.3189 -5.2989 -5.2987 -0.7639 -0.6751 0.9219 0.9355 1.0268 1.1115 6.4243 6.4245 6.9595 6.9596 7.5590 7.5656 7.7302 7.7498 8.2544 8.3015 8.4608 8.4684 10.2989 10.3084 10.3183 10.3191 10.7083 10.7092 14.7947 14.7953 14.8485 14.8495 14.9673 14.9678 17.4317 17.4366 k =-0.4992 0.5000 0.2891 ( 2664 PWs) bands (ev): -45.6458 -45.6458 -22.3848 -22.3839 -21.7403 -21.7402 -21.7259 -21.7248 -13.5985 -13.5985 -5.4707 -5.4653 -5.3260 -5.3115 -5.2910 -5.2909 -0.7916 -0.7042 0.8895 0.9042 0.9868 1.0681 6.4197 6.4199 6.9603 6.9604 7.4871 7.4907 7.7774 7.8041 8.2692 8.3193 8.4766 8.4836 10.3376 10.3463 10.3515 10.3523 10.7109 10.7118 14.8211 14.8215 14.8758 14.8768 14.9763 14.9769 17.4940 17.4999 k =-0.4992 0.5000 0.3017 ( 2656 PWs) bands (ev): -45.6458 -45.6458 -22.3853 -22.3845 -21.7402 -21.7401 -21.7274 -21.7263 -13.5954 -13.5954 -5.4472 -5.4413 -5.3189 -5.3041 -5.2831 -5.2831 -0.8184 -0.7329 0.8579 0.8738 0.9484 1.0258 6.4141 6.4143 6.9610 6.9611 7.4152 7.4178 7.8238 7.8548 8.2864 8.3387 8.4914 8.4980 10.3763 10.3842 10.3857 10.3864 10.7135 10.7144 14.8474 14.8477 14.9030 14.9039 14.9852 14.9858 17.5461 17.5534 k =-0.4992 0.5000 0.3142 ( 2656 PWs) bands (ev): -45.6457 -45.6457 -22.3859 -22.3851 -21.7401 -21.7400 -21.7289 -21.7278 -13.5924 -13.5924 -5.4243 -5.4177 -5.3120 -5.2968 -5.2755 -5.2753 -0.8441 -0.7610 0.8275 0.8445 0.9117 0.9848 6.4074 6.4075 6.9617 6.9618 7.3460 7.3480 7.8667 7.9006 8.3063 8.3595 8.5051 8.5113 10.4147 10.4205 10.4206 10.4226 10.7160 10.7169 14.8734 14.8737 14.9298 14.9308 14.9938 14.9945 17.5873 17.5964 k =-0.4992 0.5000 0.3268 ( 2655 PWs) bands (ev): -45.6457 -45.6457 -22.3865 -22.3857 -21.7400 -21.7398 -21.7304 -21.7293 -13.5895 -13.5895 -5.4021 -5.3948 -5.3053 -5.2896 -5.2679 -5.2677 -0.8686 -0.7885 0.7984 0.8163 0.8769 0.9453 6.3995 6.3996 6.9624 6.9625 7.2806 7.2823 7.9055 7.9409 8.3290 8.3819 8.5176 8.5236 10.4519 10.4552 10.4565 10.4600 10.7185 10.7194 14.8991 14.8993 14.9561 14.9571 15.0022 15.0030 17.6178 17.6291 k =-0.4992 0.5000 0.3394 ( 2656 PWs) bands (ev): -45.6457 -45.6457 -22.3870 -22.3862 -21.7399 -21.7397 -21.7318 -21.7307 -13.5868 -13.5867 -5.3808 -5.3727 -5.2988 -5.2826 -5.2606 -5.2604 -0.8918 -0.8151 0.7708 0.7895 0.8439 0.9074 6.3903 6.3903 6.9631 6.9632 7.2197 7.2211 7.9398 7.9754 8.3544 8.4056 8.5289 8.5348 10.4874 10.4897 10.4931 10.4968 10.7209 10.7218 14.9241 14.9244 14.9814 14.9827 15.0104 15.0113 17.6384 17.6521 k =-0.4992 0.5000 0.3519 ( 2656 PWs) bands (ev): -45.6456 -45.6456 -22.3875 -22.3868 -21.7398 -21.7396 -21.7331 -21.7321 -13.5841 -13.5841 -5.3607 -5.3515 -5.2926 -5.2756 -5.2534 -5.2533 -0.9135 -0.8407 0.7450 0.7642 0.8130 0.8714 6.3797 6.3798 6.9638 6.9639 7.1637 7.1650 7.9696 8.0042 8.3821 8.4303 8.5391 8.5450 10.5218 10.5236 10.5292 10.5326 10.7233 10.7241 14.9484 14.9488 15.0049 15.0067 15.0190 15.0204 17.6507 17.6669 k =-0.4992 0.5000 0.3645 ( 2650 PWs) bands (ev): -45.6456 -45.6456 -22.3879 -22.3873 -21.7397 -21.7395 -21.7343 -21.7333 -13.5816 -13.5816 -5.3420 -5.3315 -5.2867 -5.2686 -5.2466 -5.2465 -0.9335 -0.8651 0.7211 0.7405 0.7841 0.8372 6.3680 6.3681 6.9644 6.9645 7.1130 7.1141 7.9951 8.0277 8.4114 8.4555 8.5481 8.5542 10.5549 10.5566 10.5642 10.5670 10.7255 10.7263 14.9716 14.9722 15.0213 15.0229 15.0342 15.0351 17.6565 17.6751 k =-0.4992 0.5000 0.3771 ( 2648 PWs) bands (ev): -45.6455 -45.6455 -22.3884 -22.3878 -21.7396 -21.7394 -21.7354 -21.7344 -13.5792 -13.5792 -5.3249 -5.3127 -5.2811 -5.2617 -5.2402 -5.2401 -0.9519 -0.8882 0.6993 0.7186 0.7573 0.8052 6.3551 6.3553 6.9650 6.9650 7.0678 7.0688 8.0168 8.0466 8.4414 8.4806 8.5560 8.5624 10.5867 10.5882 10.5975 10.5998 10.7276 10.7283 14.9935 14.9946 15.0299 15.0310 15.0559 15.0560 17.6577 17.6782 k =-0.4992 0.5000 0.3896 ( 2648 PWs) bands (ev): -45.6455 -45.6455 -22.3888 -22.3882 -21.7396 -21.7394 -21.7364 -21.7355 -13.5771 -13.5771 -5.3097 -5.2955 -5.2757 -5.2546 -5.2343 -5.2339 -0.9684 -0.9099 0.6796 0.6986 0.7327 0.7753 6.3415 6.3416 6.9655 6.9656 7.0281 7.0289 8.0349 8.0616 8.4712 8.5048 8.5629 8.5700 10.6168 10.6181 10.6288 10.6305 10.7297 10.7303 15.0137 15.0155 15.0365 15.0381 15.0770 15.0772 17.6556 17.6772 k =-0.4992 0.5000 0.4022 ( 2652 PWs) bands (ev): -45.6455 -45.6455 -22.3892 -22.3886 -21.7396 -21.7394 -21.7373 -21.7364 -13.5751 -13.5751 -5.2966 -5.2804 -5.2702 -5.2474 -5.2288 -5.2281 -0.9830 -0.9301 0.6623 0.6805 0.7104 0.7477 6.3274 6.3276 6.9660 6.9660 6.9938 6.9945 8.0500 8.0733 8.5000 8.5272 8.5689 8.5772 10.6447 10.6459 10.6577 10.6590 10.7316 10.7322 15.0308 15.0346 15.0427 15.0461 15.0968 15.0970 17.6517 17.6721 k =-0.4992 0.5000 0.4148 ( 2648 PWs) bands (ev): -45.6454 -45.6454 -22.3895 -22.3890 -21.7397 -21.7394 -21.7380 -21.7372 -13.5733 -13.5733 -5.2857 -5.2702 -5.2620 -5.2401 -5.2238 -5.2228 -0.9957 -0.9486 0.6475 0.6646 0.6904 0.7224 6.3132 6.3135 6.9646 6.9651 6.9665 6.9666 8.0624 8.0825 8.5269 8.5468 8.5740 8.5847 10.6701 10.6711 10.6839 10.6849 10.7335 10.7341 15.0422 15.0462 15.0538 15.0575 15.1149 15.1152 17.6466 17.6594 k =-0.4992 0.5000 0.4274 ( 2624 PWs) bands (ev): -45.6454 -45.6454 -22.3896 -22.3892 -21.7398 -21.7396 -21.7383 -21.7376 -13.5717 -13.5717 -5.2770 -5.2652 -5.2508 -5.2330 -5.2192 -5.2179 -1.0062 -0.9653 0.6351 0.6508 0.6727 0.6996 6.2996 6.2999 6.9404 6.9408 6.9668 6.9669 8.0727 8.0895 8.5513 8.5623 8.5785 8.5934 10.6925 10.6934 10.7073 10.7080 10.7355 10.7361 15.0486 15.0510 15.0693 15.0713 15.1311 15.1314 17.6344 17.6387 k =-0.4992 0.5000 0.4399 ( 2604 PWs) bands (ev): -45.6454 -45.6454 -22.3898 -22.3894 -21.7400 -21.7399 -21.7384 -21.7379 -13.5704 -13.5704 -5.2702 -5.2618 -5.2405 -5.2266 -5.2148 -5.2134 -1.0147 -0.9802 0.6254 0.6393 0.6574 0.6794 6.2870 6.2872 6.9207 6.9210 6.9672 6.9672 8.0810 8.0947 8.5715 8.5731 8.5831 8.6036 10.7112 10.7120 10.7273 10.7279 10.7382 10.7387 15.0531 15.0547 15.0831 15.0843 15.1452 15.1455 17.6036 17.6119 k =-0.4992 0.5000 0.4525 ( 2604 PWs) bands (ev): -45.6454 -45.6454 -22.3900 -22.3897 -21.7403 -21.7403 -21.7384 -21.7381 -13.5693 -13.5693 -5.2650 -5.2592 -5.2320 -5.2215 -5.2107 -5.2094 -1.0211 -0.9932 0.6184 0.6301 0.6446 0.6618 6.2760 6.2761 6.9051 6.9054 6.9674 6.9675 8.0877 8.0985 8.5789 8.5824 8.5943 8.6142 10.7246 10.7251 10.7418 10.7418 10.7454 10.7454 15.0566 15.0578 15.0946 15.0954 15.1571 15.1573 17.5750 17.5809 k =-0.4992 0.5000 0.4651 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3901 -22.3899 -21.7407 -21.7407 -21.7384 -21.7382 -13.5684 -13.5684 -5.2612 -5.2572 -5.2253 -5.2180 -5.2069 -5.2059 -1.0252 -1.0042 0.6141 0.6232 0.6342 0.6468 6.2668 6.2670 6.8934 6.8936 6.9676 6.9677 8.0929 8.1009 8.5829 8.5853 8.6086 8.6232 10.7312 10.7314 10.7498 10.7499 10.7580 10.7581 15.0592 15.0601 15.1038 15.1043 15.1665 15.1667 17.5516 17.5557 k =-0.4992 0.5000 0.4776 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3902 -22.3901 -21.7409 -21.7409 -21.7384 -21.7383 -13.5678 -13.5678 -5.2584 -5.2560 -5.2205 -5.2159 -5.2038 -5.2032 -1.0272 -1.0131 0.6125 0.6188 0.6263 0.6346 6.2601 6.2602 6.8853 6.8854 6.9678 6.9678 8.0969 8.1022 8.5854 8.5869 8.6201 8.6295 10.7338 10.7338 10.7575 10.7576 10.7675 10.7676 15.0612 15.0617 15.1105 15.1108 15.1733 15.1735 17.5345 17.5371 k =-0.4992 0.5000 0.4902 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3902 -21.7411 -21.7411 -21.7384 -21.7383 -13.5674 -13.5674 -5.2566 -5.2554 -5.2174 -5.2151 -5.2017 -5.2015 -1.0269 -1.0199 0.6135 0.6166 0.6210 0.6252 6.2559 6.2559 6.8805 6.8805 6.9679 6.9679 8.0998 8.1024 8.5869 8.5877 8.6279 8.6325 10.7348 10.7348 10.7626 10.7628 10.7732 10.7733 15.0623 15.0626 15.1145 15.1147 15.1775 15.1776 17.5243 17.5257 k =-0.4992 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2558 -5.2554 -5.2158 -5.2154 -5.2010 -5.2010 -1.0246 -1.0244 0.6159 0.6159 0.6194 0.6198 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1015 8.1018 8.5874 8.5879 8.6320 8.6321 10.7351 10.7351 10.7644 10.7645 10.7752 10.7753 15.0628 15.0629 15.1159 15.1160 15.1789 15.1789 17.5210 17.5218 k =-0.4992 0.5000 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2558 -5.2554 -5.2158 -5.2154 -5.2010 -5.2010 -1.0246 -1.0244 0.6159 0.6159 0.6194 0.6198 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1015 8.1018 8.5874 8.5879 8.6320 8.6321 10.7351 10.7351 10.7644 10.7645 10.7752 10.7753 15.0628 15.0629 15.1159 15.1160 15.1789 15.1789 17.5210 17.5218 k =-0.5000 0.4992 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2556 -5.2556 -5.2156 -5.2156 -5.2010 -5.2010 -1.0245 -1.0245 0.6159 0.6159 0.6196 0.6196 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1016 8.1016 8.5877 8.5877 8.6321 8.6321 10.7351 10.7351 10.7645 10.7645 10.7752 10.7752 15.0628 15.0628 15.1160 15.1160 15.1789 15.1789 17.5214 17.5214 k =-0.5000 0.4992 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2556 -5.2556 -5.2156 -5.2156 -5.2010 -5.2010 -1.0245 -1.0245 0.6159 0.6159 0.6196 0.6196 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1016 8.1016 8.5877 8.5877 8.6321 8.6321 10.7351 10.7351 10.7645 10.7645 10.7752 10.7752 15.0628 15.0628 15.1160 15.1160 15.1789 15.1789 17.5214 17.5214 k =-0.5000 0.4992 0.4902 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3902 -21.7411 -21.7411 -21.7384 -21.7384 -13.5674 -13.5674 -5.2566 -5.2554 -5.2173 -5.2151 -5.2017 -5.2015 -1.0269 -1.0199 0.6135 0.6166 0.6210 0.6252 6.2559 6.2559 6.8805 6.8805 6.9679 6.9679 8.0998 8.1024 8.5870 8.5876 8.6279 8.6325 10.7348 10.7348 10.7627 10.7627 10.7733 10.7733 15.0624 15.0626 15.1146 15.1147 15.1775 15.1776 17.5244 17.5256 k =-0.5000 0.4992 0.4776 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3902 -22.3901 -21.7409 -21.7409 -21.7384 -21.7383 -13.5678 -13.5678 -5.2584 -5.2560 -5.2205 -5.2159 -5.2038 -5.2032 -1.0272 -1.0131 0.6124 0.6187 0.6263 0.6345 6.2600 6.2601 6.8853 6.8854 6.9678 6.9678 8.0969 8.1022 8.5855 8.5868 8.6201 8.6295 10.7338 10.7338 10.7575 10.7576 10.7675 10.7676 15.0612 15.0617 15.1105 15.1108 15.1733 15.1735 17.5346 17.5371 k =-0.5000 0.4992 0.4651 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3901 -22.3899 -21.7407 -21.7407 -21.7384 -21.7382 -13.5684 -13.5684 -5.2611 -5.2572 -5.2253 -5.2180 -5.2069 -5.2059 -1.0252 -1.0042 0.6141 0.6232 0.6341 0.6468 6.2668 6.2670 6.8934 6.8936 6.9676 6.9677 8.0929 8.1009 8.5830 8.5852 8.6086 8.6232 10.7313 10.7314 10.7498 10.7499 10.7580 10.7581 15.0593 15.0601 15.1038 15.1044 15.1665 15.1667 17.5516 17.5556 k =-0.5000 0.4992 0.4525 ( 2604 PWs) bands (ev): -45.6454 -45.6454 -22.3900 -22.3897 -21.7403 -21.7403 -21.7384 -21.7381 -13.5693 -13.5693 -5.2650 -5.2592 -5.2319 -5.2215 -5.2107 -5.2094 -1.0211 -0.9932 0.6184 0.6301 0.6445 0.6618 6.2759 6.2761 6.9051 6.9054 6.9674 6.9674 8.0877 8.0985 8.5790 8.5823 8.5943 8.6142 10.7246 10.7251 10.7418 10.7418 10.7454 10.7454 15.0566 15.0578 15.0946 15.0954 15.1571 15.1573 17.5750 17.5809 k =-0.5000 0.4992 0.4399 ( 2604 PWs) bands (ev): -45.6454 -45.6454 -22.3898 -22.3894 -21.7400 -21.7399 -21.7384 -21.7379 -13.5704 -13.5704 -5.2702 -5.2618 -5.2405 -5.2266 -5.2148 -5.2134 -1.0147 -0.9802 0.6254 0.6393 0.6574 0.6794 6.2870 6.2872 6.9207 6.9210 6.9671 6.9672 8.0810 8.0947 8.5721 8.5726 8.5832 8.6036 10.7112 10.7120 10.7274 10.7279 10.7382 10.7387 15.0531 15.0548 15.0831 15.0843 15.1452 15.1455 17.6036 17.6119 k =-0.5000 0.4992 0.4274 ( 2624 PWs) bands (ev): -45.6454 -45.6454 -22.3896 -22.3892 -21.7398 -21.7396 -21.7383 -21.7376 -13.5717 -13.5717 -5.2770 -5.2652 -5.2508 -5.2330 -5.2192 -5.2179 -1.0063 -0.9653 0.6351 0.6508 0.6727 0.6996 6.2996 6.2998 6.9404 6.9408 6.9668 6.9668 8.0727 8.0895 8.5514 8.5623 8.5785 8.5933 10.6925 10.6934 10.7073 10.7080 10.7356 10.7361 15.0486 15.0510 15.0693 15.0713 15.1311 15.1314 17.6344 17.6386 k =-0.5000 0.4992 0.4148 ( 2648 PWs) bands (ev): -45.6454 -45.6454 -22.3895 -22.3890 -21.7397 -21.7394 -21.7380 -21.7372 -13.5733 -13.5733 -5.2857 -5.2702 -5.2620 -5.2401 -5.2238 -5.2228 -0.9957 -0.9486 0.6475 0.6646 0.6904 0.7224 6.3132 6.3134 6.9646 6.9651 6.9665 6.9666 8.0625 8.0825 8.5269 8.5468 8.5740 8.5847 10.6701 10.6711 10.6839 10.6849 10.7335 10.7341 15.0422 15.0462 15.0539 15.0575 15.1149 15.1152 17.6466 17.6594 k =-0.5000 0.4992 0.4022 ( 2652 PWs) bands (ev): -45.6455 -45.6455 -22.3892 -22.3886 -21.7396 -21.7394 -21.7373 -21.7364 -13.5751 -13.5751 -5.2966 -5.2804 -5.2702 -5.2474 -5.2288 -5.2282 -0.9830 -0.9301 0.6623 0.6805 0.7104 0.7476 6.3273 6.3275 6.9660 6.9660 6.9938 6.9945 8.0500 8.0733 8.5000 8.5272 8.5689 8.5772 10.6447 10.6459 10.6577 10.6590 10.7316 10.7322 15.0308 15.0346 15.0427 15.0461 15.0968 15.0970 17.6517 17.6720 k =-0.5000 0.4992 0.3896 ( 2648 PWs) bands (ev): -45.6455 -45.6455 -22.3888 -22.3882 -21.7396 -21.7394 -21.7364 -21.7355 -13.5771 -13.5771 -5.3097 -5.2955 -5.2757 -5.2546 -5.2343 -5.2339 -0.9684 -0.9099 0.6796 0.6986 0.7327 0.7753 6.3414 6.3416 6.9655 6.9655 7.0281 7.0289 8.0349 8.0616 8.4712 8.5048 8.5629 8.5700 10.6168 10.6181 10.6288 10.6305 10.7297 10.7303 15.0137 15.0155 15.0365 15.0381 15.0770 15.0772 17.6556 17.6772 k =-0.5000 0.4992 0.3771 ( 2648 PWs) bands (ev): -45.6455 -45.6455 -22.3884 -22.3878 -21.7396 -21.7394 -21.7354 -21.7344 -13.5792 -13.5792 -5.3249 -5.3127 -5.2811 -5.2617 -5.2402 -5.2401 -0.9519 -0.8882 0.6993 0.7186 0.7573 0.8052 6.3551 6.3552 6.9650 6.9650 7.0678 7.0688 8.0168 8.0466 8.4414 8.4806 8.5560 8.5624 10.5867 10.5882 10.5975 10.5998 10.7277 10.7284 14.9935 14.9946 15.0299 15.0310 15.0560 15.0560 17.6576 17.6782 k =-0.5000 0.4992 0.3645 ( 2652 PWs) bands (ev): -45.6456 -45.6456 -22.3880 -22.3873 -21.7397 -21.7395 -21.7343 -21.7333 -13.5816 -13.5816 -5.3420 -5.3315 -5.2867 -5.2686 -5.2466 -5.2466 -0.9335 -0.8651 0.7211 0.7405 0.7841 0.8372 6.3680 6.3680 6.9644 6.9645 7.1130 7.1141 7.9951 8.0277 8.4114 8.4555 8.5481 8.5541 10.5550 10.5566 10.5642 10.5670 10.7255 10.7263 14.9716 14.9722 15.0214 15.0229 15.0342 15.0351 17.6565 17.6751 k =-0.5000 0.4992 0.3519 ( 2656 PWs) bands (ev): -45.6456 -45.6456 -22.3875 -22.3868 -21.7398 -21.7396 -21.7331 -21.7321 -13.5841 -13.5841 -5.3607 -5.3515 -5.2926 -5.2756 -5.2534 -5.2533 -0.9135 -0.8407 0.7450 0.7642 0.8129 0.8713 6.3797 6.3798 6.9638 6.9638 7.1637 7.1650 7.9696 8.0042 8.3821 8.4303 8.5391 8.5450 10.5218 10.5236 10.5293 10.5326 10.7233 10.7241 14.9484 14.9488 15.0049 15.0067 15.0190 15.0204 17.6507 17.6669 k =-0.5000 0.4992 0.3394 ( 2656 PWs) bands (ev): -45.6457 -45.6457 -22.3870 -22.3862 -21.7399 -21.7397 -21.7318 -21.7307 -13.5868 -13.5867 -5.3808 -5.3727 -5.2988 -5.2826 -5.2606 -5.2604 -0.8918 -0.8151 0.7708 0.7895 0.8439 0.9074 6.3903 6.3903 6.9631 6.9632 7.2197 7.2211 7.9398 7.9754 8.3544 8.4056 8.5289 8.5348 10.4874 10.4897 10.4931 10.4968 10.7210 10.7218 14.9241 14.9244 14.9814 14.9827 15.0104 15.0113 17.6383 17.6521 k =-0.5000 0.4992 0.3268 ( 2654 PWs) bands (ev): -45.6457 -45.6457 -22.3865 -22.3857 -21.7400 -21.7398 -21.7304 -21.7293 -13.5895 -13.5895 -5.4021 -5.3948 -5.3053 -5.2896 -5.2679 -5.2677 -0.8686 -0.7885 0.7984 0.8163 0.8768 0.9453 6.3995 6.3995 6.9624 6.9625 7.2806 7.2823 7.9055 7.9409 8.3290 8.3819 8.5176 8.5236 10.4519 10.4552 10.4565 10.4600 10.7185 10.7194 14.8991 14.8993 14.9561 14.9571 15.0022 15.0030 17.6177 17.6291 k =-0.5000 0.4992 0.3142 ( 2654 PWs) bands (ev): -45.6457 -45.6457 -22.3859 -22.3851 -21.7401 -21.7400 -21.7289 -21.7278 -13.5924 -13.5924 -5.4243 -5.4177 -5.3120 -5.2968 -5.2755 -5.2753 -0.8441 -0.7610 0.8275 0.8444 0.9117 0.9848 6.4074 6.4075 6.9617 6.9618 7.3460 7.3480 7.8667 7.9006 8.3063 8.3595 8.5051 8.5113 10.4147 10.4205 10.4207 10.4226 10.7160 10.7169 14.8734 14.8737 14.9298 14.9308 14.9938 14.9945 17.5873 17.5964 k =-0.5000 0.4992 0.3017 ( 2656 PWs) bands (ev): -45.6458 -45.6458 -22.3853 -22.3845 -21.7402 -21.7401 -21.7274 -21.7263 -13.5954 -13.5954 -5.4472 -5.4412 -5.3189 -5.3041 -5.2831 -5.2831 -0.8184 -0.7329 0.8579 0.8738 0.9484 1.0258 6.4141 6.4143 6.9610 6.9611 7.4152 7.4178 7.8238 7.8548 8.2864 8.3387 8.4914 8.4979 10.3764 10.3842 10.3857 10.3864 10.7135 10.7144 14.8474 14.8477 14.9030 14.9040 14.9852 14.9858 17.5461 17.5534 k =-0.5000 0.4992 0.2891 ( 2664 PWs) bands (ev): -45.6458 -45.6458 -22.3848 -22.3840 -21.7403 -21.7402 -21.7259 -21.7248 -13.5985 -13.5985 -5.4707 -5.4653 -5.3260 -5.3115 -5.2910 -5.2909 -0.7916 -0.7042 0.8895 0.9042 0.9868 1.0681 6.4197 6.4199 6.9603 6.9604 7.4871 7.4907 7.7774 7.8041 8.2692 8.3193 8.4766 8.4836 10.3376 10.3463 10.3515 10.3523 10.7109 10.7118 14.8211 14.8215 14.8759 14.8768 14.9764 14.9769 17.4939 17.4999 k =-0.5000 0.4992 0.2765 ( 2664 PWs) bands (ev): -45.6459 -45.6459 -22.3842 -22.3833 -21.7405 -21.7404 -21.7243 -21.7232 -13.6016 -13.6016 -5.4946 -5.4896 -5.3332 -5.3189 -5.2989 -5.2987 -0.7639 -0.6751 0.9220 0.9354 1.0268 1.1115 6.4242 6.4245 6.9595 6.9596 7.5590 7.5656 7.7302 7.7498 8.2544 8.3015 8.4608 8.4684 10.2989 10.3084 10.3183 10.3191 10.7083 10.7092 14.7948 14.7953 14.8485 14.8495 14.9674 14.9678 17.4316 17.4366 k =-0.5000 0.4992 0.2640 ( 2668 PWs) bands (ev): -45.6459 -45.6459 -22.3836 -22.3828 -21.7406 -21.7405 -21.7227 -21.7216 -13.6047 -13.6047 -5.5187 -5.5140 -5.3405 -5.3265 -5.3069 -5.3065 -0.7354 -0.6458 0.9552 0.9673 1.0683 1.1559 6.4279 6.4282 6.9587 6.9588 7.6136 7.6356 7.6983 7.6987 8.2419 8.2851 8.4443 8.4526 10.2607 10.2709 10.2862 10.2870 10.7056 10.7066 14.7685 14.7693 14.8212 14.8222 14.9582 14.9586 17.3604 17.3648 k =-0.5000 0.4992 0.2514 ( 2668 PWs) bands (ev): -45.6460 -45.6460 -22.3830 -22.3821 -21.7407 -21.7406 -21.7211 -21.7200 -13.6079 -13.6079 -5.5428 -5.5385 -5.3477 -5.3340 -5.3148 -5.3143 -0.7064 -0.6165 0.9888 0.9998 1.1110 1.2010 6.4308 6.4311 6.9579 6.9581 7.5926 7.6197 7.7303 7.7408 8.2316 8.2701 8.4275 8.4369 10.2232 10.2341 10.2555 10.2562 10.7030 10.7040 14.7426 14.7436 14.7940 14.7951 14.9490 14.9494 17.2817 17.2858 k =-0.5000 0.4992 0.2388 ( 2668 PWs) bands (ev): -45.6460 -45.6460 -22.3824 -22.3815 -21.7408 -21.7408 -21.7194 -21.7183 -13.6110 -13.6110 -5.5668 -5.5628 -5.3550 -5.3416 -5.3226 -5.3220 -0.6769 -0.5873 1.0227 1.0325 1.1549 1.2467 6.4330 6.4334 6.9572 6.9573 7.5384 7.5583 7.8042 7.8130 8.2237 8.2564 8.4113 8.4220 10.1867 10.1982 10.2264 10.2270 10.7004 10.7014 14.7171 14.7183 14.7672 14.7682 14.9398 14.9401 17.1970 17.2009 k =-0.5000 0.4992 0.2262 ( 2666 PWs) bands (ev): -45.6461 -45.6461 -22.3818 -22.3809 -21.7410 -21.7409 -21.7178 -21.7167 -13.6142 -13.6142 -5.5905 -5.5869 -5.3622 -5.3492 -5.3302 -5.3295 -0.6473 -0.5584 1.0567 1.0653 1.1997 1.2925 6.4346 6.4350 6.9564 6.9565 7.4784 7.4932 7.8763 7.8866 8.2187 8.2442 8.3973 8.4095 10.1514 10.1635 10.1989 10.1995 10.6979 10.6989 14.6921 14.6937 14.7407 14.7419 14.9307 14.9309 17.1077 17.1117 k =-0.5000 0.4992 0.2137 ( 2664 PWs) bands (ev): -45.6461 -45.6461 -22.3812 -22.3804 -21.7411 -21.7410 -21.7161 -21.7151 -13.6173 -13.6172 -5.6139 -5.6105 -5.3692 -5.3566 -5.3377 -5.3368 -0.6175 -0.5300 1.0905 1.0980 1.2452 1.3384 6.4357 6.4362 6.9556 6.9558 7.4161 7.4267 7.9409 7.9549 8.2169 8.2335 8.3884 8.4023 10.1175 10.1300 10.1732 10.1737 10.6954 10.6964 14.6680 14.6699 14.7148 14.7161 14.9217 14.9218 17.0151 17.0192 k =-0.5000 0.4992 0.2011 ( 2664 PWs) bands (ev): -45.6462 -45.6462 -22.3806 -22.3798 -21.7412 -21.7411 -21.7145 -21.7135 -13.6203 -13.6203 -5.6366 -5.6335 -5.3762 -5.3640 -5.3449 -5.3440 -0.5879 -0.5023 1.1238 1.1304 1.2911 1.3840 6.4364 6.4369 6.9549 6.9551 7.3528 7.3597 7.9924 8.0123 8.2174 8.2239 8.3904 8.4050 10.0853 10.0980 10.1494 10.1498 10.6929 10.6939 14.6447 14.6470 14.6897 14.6911 14.9128 14.9128 16.9203 16.9245 k =-0.5000 0.4992 0.1885 ( 2672 PWs) bands (ev): -45.6462 -45.6462 -22.3801 -22.3793 -21.7413 -21.7413 -21.7130 -21.7120 -13.6232 -13.6232 -5.6587 -5.6558 -5.3829 -5.3713 -5.3518 -5.3508 -0.5587 -0.4755 1.1566 1.1622 1.3371 1.4290 6.4368 6.4373 6.9541 6.9543 7.2893 7.2929 8.0270 8.0535 8.2144 8.2160 8.4106 8.4236 10.0547 10.0676 10.1276 10.1278 10.6906 10.6915 14.6224 14.6251 14.6654 14.6669 14.9041 14.9041 16.8244 16.8288 k =-0.5000 0.4992 0.1760 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3795 -22.3788 -21.7414 -21.7414 -21.7114 -21.7104 -13.6261 -13.6261 -5.6800 -5.6773 -5.3893 -5.3783 -5.3584 -5.3574 -0.5299 -0.4497 1.1885 1.1933 1.3830 1.4732 6.4369 6.4375 6.9534 6.9536 7.2262 7.2270 8.0456 8.0766 8.2029 8.2085 8.4520 8.4615 10.0261 10.0389 10.1076 10.1077 10.6883 10.6892 14.6012 14.6044 14.6420 14.6437 14.8957 14.8957 16.7285 16.7330 k =-0.5000 0.4992 0.1634 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3790 -22.3783 -21.7416 -21.7415 -21.7099 -21.7090 -13.6288 -13.6288 -5.7003 -5.6978 -5.3955 -5.3851 -5.3646 -5.3637 -0.5019 -0.4251 1.2194 1.2234 1.4284 1.5161 6.4368 6.4374 6.9527 6.9530 7.1626 7.1642 8.0528 8.0853 8.1883 8.1947 8.5097 8.5157 9.9994 10.0120 10.0894 10.0895 10.6862 10.6871 14.5813 14.5849 14.6198 14.6216 14.8876 14.8877 16.6334 16.6381 k =-0.5000 0.4992 0.1508 ( 2672 PWs) bands (ev): -45.6464 -45.6464 -22.3785 -22.3778 -21.7417 -21.7416 -21.7085 -21.7077 -13.6314 -13.6314 -5.7196 -5.7173 -5.4013 -5.3916 -5.3705 -5.3697 -0.4747 -0.4018 1.2490 1.2524 1.4730 1.5574 6.4365 6.4372 6.9520 6.9523 7.1001 7.1037 8.0532 8.0850 8.1709 8.1768 8.5765 8.5799 9.9747 9.9870 10.0730 10.0732 10.6841 10.6850 14.5627 14.5668 14.5987 14.6007 14.8798 14.8800 16.5401 16.5449 k =-0.5000 0.4992 0.1383 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3780 -22.3774 -21.7417 -21.7417 -21.7072 -21.7064 -13.6339 -13.6338 -5.7377 -5.7356 -5.4068 -5.3978 -5.3760 -5.3752 -0.4487 -0.3801 1.2771 1.2800 1.5164 1.5969 6.4361 6.4368 6.9513 6.9517 7.0402 7.0455 8.0499 8.0799 8.1518 8.1570 8.6471 8.6488 9.9520 9.9638 10.0583 10.0586 10.6822 10.6831 14.5456 14.5501 14.5790 14.5812 14.8725 14.8727 16.4496 16.4545 k =-0.5000 0.4992 0.1257 ( 2660 PWs) bands (ev): -45.6464 -45.6464 -22.3775 -22.3769 -21.7418 -21.7418 -21.7058 -21.7051 -13.6361 -13.6361 -5.7546 -5.7527 -5.4119 -5.4036 -5.3811 -5.3804 -0.4238 -0.3600 1.3036 1.3059 1.5582 1.6341 6.4356 6.4364 6.9502 6.9512 6.9833 6.9904 8.0446 8.0723 8.1319 8.1365 8.7180 8.7187 9.9315 9.9426 10.0453 10.0457 10.6805 10.6813 14.5299 14.5348 14.5607 14.5631 14.8657 14.8659 16.3627 16.3676 k =-0.5000 0.4992 0.1131 ( 2664 PWs) bands (ev): -45.6465 -45.6465 -22.3771 -22.3766 -21.7419 -21.7419 -21.7047 -21.7040 -13.6383 -13.6383 -5.7701 -5.7684 -5.4165 -5.4090 -5.3858 -5.3851 -0.4004 -0.3418 1.3282 1.3301 1.5981 1.6687 6.4351 6.4359 6.9301 6.9349 6.9507 6.9527 8.0383 8.0635 8.1122 8.1162 8.7869 8.7870 9.9130 9.9234 10.0338 10.0343 10.6789 10.6796 14.5158 14.5210 14.5440 14.5466 14.8594 14.8597 16.2805 16.2852 k =-0.5000 0.4992 0.1006 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3768 -22.3763 -21.7420 -21.7420 -21.7036 -21.7030 -13.6402 -13.6402 -5.7842 -5.7827 -5.4207 -5.4140 -5.3900 -5.3894 -0.3786 -0.3255 1.3508 1.3523 1.6357 1.7003 6.4346 6.4353 6.8810 6.8878 6.9502 6.9506 8.0317 8.0542 8.0932 8.0968 8.8520 8.8524 9.8966 9.9061 10.0238 10.0243 10.6774 10.6781 14.5033 14.5086 14.5291 14.5317 14.8537 14.8539 16.2036 16.2082 k =-0.5000 0.4992 0.0880 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3764 -22.3760 -21.7421 -21.7420 -21.7026 -21.7021 -13.6419 -13.6419 -5.7968 -5.7955 -5.4244 -5.4185 -5.3938 -5.3933 -0.3585 -0.3113 1.3712 1.3724 1.6705 1.7286 6.4340 6.4348 6.8365 6.8435 6.9498 6.9500 8.0253 8.0451 8.0755 8.0787 8.9123 8.9130 9.8822 9.8907 10.0152 10.0158 10.6761 10.6767 14.4923 14.4976 14.5159 14.5185 14.8485 14.8488 16.1332 16.1375 k =-0.5000 0.4992 0.0754 ( 2668 PWs) bands (ev): -45.6465 -45.6465 -22.3761 -22.3757 -21.7421 -21.7421 -21.7018 -21.7013 -13.6434 -13.6434 -5.8078 -5.8067 -5.4276 -5.4225 -5.3971 -5.3966 -0.3403 -0.2993 1.3892 1.3901 1.7023 1.7533 6.4335 6.4343 6.7970 6.8038 6.9494 6.9495 8.0192 8.0363 8.0596 8.0623 8.9670 8.9678 9.8698 9.8773 10.0078 10.0085 10.6750 10.6755 14.4829 14.4879 14.5047 14.5072 14.8440 14.8443 16.0701 16.0740 k =-0.5000 0.4992 0.0628 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3759 -22.3756 -21.7422 -21.7422 -21.7011 -21.7007 -13.6447 -13.6447 -5.8172 -5.8163 -5.4303 -5.4260 -5.3999 -5.3995 -0.3240 -0.2895 1.4046 1.4054 1.7306 1.7740 6.4331 6.4338 6.7631 6.7692 6.9491 6.9492 8.0138 8.0281 8.0457 8.0481 9.0149 9.0158 9.8595 9.8658 10.0018 10.0024 10.6741 10.6745 14.4749 14.4794 14.4955 14.4977 14.8402 14.8404 16.0150 16.0185 k =-0.5000 0.4992 0.0503 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3757 -22.3754 -21.7422 -21.7422 -21.7005 -21.7001 -13.6458 -13.6458 -5.8250 -5.8243 -5.4324 -5.4290 -5.4022 -5.4019 -0.3099 -0.2820 1.4175 1.4181 1.7552 1.7904 6.4327 6.4333 6.7349 6.7402 6.9488 6.9489 8.0092 8.0207 8.0343 8.0362 9.0554 9.0562 9.8511 9.8563 9.9969 9.9974 10.6733 10.6737 14.4684 14.4722 14.4883 14.4901 14.8370 14.8371 15.9688 15.9717 k =-0.5000 0.4992 0.0377 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3755 -22.3753 -21.7423 -21.7422 -21.7000 -21.6997 -13.6467 -13.6467 -5.8311 -5.8305 -5.4340 -5.4314 -5.4040 -5.4037 -0.2981 -0.2770 1.4276 1.4280 1.7757 1.8024 6.4325 6.4329 6.7128 6.7170 6.9486 6.9487 8.0056 8.0140 8.0256 8.0268 9.0877 9.0884 9.8448 9.8487 9.9931 9.9936 10.6727 10.6730 14.4634 14.4663 14.4829 14.4843 14.8345 14.8346 15.9322 15.9345 k =-0.5000 0.4992 0.0251 ( 2676 PWs) bands (ev): -45.6466 -45.6466 -22.3753 -22.3752 -21.7423 -21.7423 -21.6996 -21.6994 -13.6473 -13.6473 -5.8354 -5.8350 -5.4350 -5.4333 -5.4052 -5.4051 -0.2885 -0.2743 1.4349 1.4352 1.7918 1.8098 6.4323 6.4326 6.6971 6.7000 6.9485 6.9485 8.0031 8.0085 8.0196 8.0202 9.1113 9.1117 9.8404 9.8430 9.9905 9.9908 10.6723 10.6725 14.4599 14.4619 14.4793 14.4801 14.8327 14.8328 15.9057 15.9073 k =-0.5000 0.4992 0.0126 ( 2678 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6994 -21.6993 -13.6476 -13.6476 -5.8379 -5.8378 -5.4354 -5.4346 -5.4060 -5.4059 -0.2813 -0.2742 1.4394 1.4395 1.8034 1.8125 6.4322 6.4324 6.6880 6.6894 6.9484 6.9484 8.0019 8.0045 8.0162 8.0164 9.1256 9.1259 9.8381 9.8394 9.9889 9.9891 10.6721 10.6722 14.4580 14.4590 14.4772 14.4777 14.8316 14.8317 15.8898 15.8906 k =-0.5000 0.4992 0.0000 ( 2680 PWs) bands (ev): -45.6466 -45.6466 -22.3752 -22.3752 -21.7423 -21.7423 -21.6993 -21.6993 -13.6477 -13.6477 -5.8387 -5.8387 -5.4353 -5.4353 -5.4062 -5.4062 -0.2765 -0.2765 1.4409 1.4409 1.8103 1.8103 6.4322 6.4322 6.6854 6.6854 6.9484 6.9484 8.0023 8.0023 8.0150 8.0150 9.1305 9.1305 9.8377 9.8377 9.9885 9.9885 10.6720 10.6720 14.4577 14.4577 14.4767 14.4767 14.8313 14.8313 15.8848 15.8848 k = 0.0000 0.0000 0.5028 ( 2678 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3610 -21.7259 -21.7259 -21.6829 -21.6829 -13.7276 -13.7276 -6.4505 -6.4505 -5.4338 -5.4338 -5.1348 -5.1348 -0.1716 -0.1716 1.6956 1.6956 1.8860 1.8860 6.7104 6.7104 7.9578 7.9578 7.9694 7.9694 8.7426 8.7426 8.7698 8.7698 8.8942 8.8942 9.0145 9.0145 9.8510 9.8510 10.0228 10.0228 13.0936 13.0936 14.4483 14.4483 14.5181 14.5181 15.0487 15.0487 k =-0.0089 0.0089 0.5028 ( 2676 PWs) bands (ev): -45.6477 -45.6477 -22.3610 -22.3610 -21.7259 -21.7259 -21.6830 -21.6830 -13.7275 -13.7275 -6.4497 -6.4497 -5.4336 -5.4336 -5.1352 -5.1352 -0.1717 -0.1717 1.6956 1.6956 1.8853 1.8853 6.7100 6.7100 7.9577 7.9577 7.9696 7.9696 8.7228 8.7228 8.7575 8.7575 8.9100 8.9100 9.0308 9.0308 9.8482 9.8482 10.0209 10.0209 13.0958 13.0958 14.4484 14.4484 14.5181 14.5181 15.0522 15.0522 k =-0.0179 0.0178 0.5028 ( 2680 PWs) bands (ev): -45.6477 -45.6477 -22.3611 -22.3611 -21.7259 -21.7259 -21.6831 -21.6831 -13.7271 -13.7271 -6.4473 -6.4473 -5.4331 -5.4331 -5.1364 -5.1364 -0.1723 -0.1723 1.6952 1.6952 1.8832 1.8832 6.7089 6.7089 7.9571 7.9571 7.9702 7.9702 8.6729 8.6729 8.7326 8.7326 8.9441 8.9441 9.0717 9.0717 9.8399 9.8399 10.0153 10.0153 13.1024 13.1024 14.4487 14.4487 14.5183 14.5183 15.0627 15.0627 k =-0.0268 0.0267 0.5028 ( 2682 PWs) bands (ev): -45.6477 -45.6477 -22.3613 -22.3613 -21.7260 -21.7260 -21.6833 -21.6833 -13.7264 -13.7264 -6.4432 -6.4432 -5.4323 -5.4323 -5.1384 -5.1384 -0.1733 -0.1733 1.6946 1.6946 1.8796 1.8796 6.7072 6.7072 7.9559 7.9559 7.9715 7.9715 8.6092 8.6092 8.7033 8.7033 8.9846 8.9846 9.1244 9.1244 9.8261 9.8261 10.0059 10.0059 13.1134 13.1134 14.4493 14.4493 14.5187 14.5187 15.0800 15.0800 k =-0.0357 0.0357 0.5028 ( 2686 PWs) bands (ev): -45.6476 -45.6476 -22.3614 -22.3614 -21.7261 -21.7261 -21.6837 -21.6837 -13.7255 -13.7255 -6.4376 -6.4376 -5.4312 -5.4312 -5.1412 -5.1412 -0.1747 -0.1747 1.6936 1.6936 1.8748 1.8748 6.7047 6.7047 7.9537 7.9537 7.9736 7.9736 8.5392 8.5392 8.6726 8.6726 9.0285 9.0285 9.1817 9.1817 9.8070 9.8070 9.9932 9.9932 13.1286 13.1286 14.4503 14.4503 14.5192 14.5192 15.1041 15.1041 k =-0.0446 0.0446 0.5028 ( 2682 PWs) bands (ev): -45.6476 -45.6476 -22.3616 -22.3616 -21.7262 -21.7262 -21.6841 -21.6841 -13.7244 -13.7244 -6.4304 -6.4304 -5.4297 -5.4297 -5.1447 -5.1447 -0.1766 -0.1766 1.6921 1.6921 1.8688 1.8688 6.7016 6.7016 7.9507 7.9507 7.9765 7.9765 8.4660 8.4660 8.6421 8.6421 9.0746 9.0746 9.2402 9.2402 9.7827 9.7827 9.9772 9.9772 13.1479 13.1479 14.4515 14.4515 14.5200 14.5200 15.1347 15.1347 k =-0.0536 0.0535 0.5028 ( 2676 PWs) bands (ev): -45.6476 -45.6476 -22.3618 -22.3618 -21.7263 -21.7263 -21.6845 -21.6845 -13.7229 -13.7229 -6.4216 -6.4216 -5.4280 -5.4280 -5.1489 -5.1489 -0.1790 -0.1790 1.6898 1.6898 1.8618 1.8618 6.6979 6.6979 7.9467 7.9467 7.9800 7.9800 8.3911 8.3911 8.6125 8.6125 9.1224 9.1224 9.2984 9.2984 9.7535 9.7535 9.9584 9.9584 13.1713 13.1713 14.4532 14.4532 14.5210 14.5210 15.1716 15.1716 k =-0.0625 0.0624 0.5028 ( 2672 PWs) bands (ev): -45.6476 -45.6476 -22.3621 -22.3621 -21.7265 -21.7265 -21.6851 -21.6851 -13.7213 -13.7213 -6.4112 -6.4112 -5.4259 -5.4259 -5.1538 -5.1538 -0.1820 -0.1820 1.6866 1.6866 1.8540 1.8540 6.6937 6.6937 7.9418 7.9418 7.9839 7.9839 8.3155 8.3155 8.5842 8.5842 9.1718 9.1718 9.3554 9.3554 9.7196 9.7196 9.9372 9.9372 13.1984 13.1984 14.4554 14.4554 14.5223 14.5223 15.2145 15.2145 k =-0.0714 0.0713 0.5028 ( 2668 PWs) bands (ev): -45.6475 -45.6475 -22.3624 -22.3624 -21.7266 -21.7266 -21.6857 -21.6857 -13.7193 -13.7193 -6.3994 -6.3994 -5.4235 -5.4235 -5.1592 -5.1592 -0.1857 -0.1857 1.6821 1.6821 1.8456 1.8456 6.6890 6.6890 7.9361 7.9361 7.9880 7.9880 8.2398 8.2398 8.5573 8.5573 9.2223 9.2224 9.4109 9.4109 9.6814 9.6814 9.9140 9.9140 13.2291 13.2291 14.4581 14.4581 14.5240 14.5240 15.2631 15.2631 k =-0.0804 0.0802 0.5028 ( 2672 PWs) bands (ev): -45.6475 -45.6475 -22.3628 -22.3628 -21.7269 -21.7269 -21.6865 -21.6865 -13.7172 -13.7172 -6.3860 -6.3860 -5.4208 -5.4208 -5.1652 -5.1652 -0.1901 -0.1901 1.6759 1.6759 1.8369 1.8369 6.6839 6.6839 7.9294 7.9294 7.9921 7.9921 8.1646 8.1646 8.5321 8.5321 9.2739 9.2739 9.4645 9.4645 9.6393 9.6393 9.8893 9.8893 13.2632 13.2632 14.4614 14.4614 14.5260 14.5260 15.3170 15.3170 k =-0.0893 0.0891 0.5028 ( 2670 PWs) bands (ev): -45.6475 -45.6475 -22.3632 -22.3632 -21.7271 -21.7271 -21.6873 -21.6873 -13.7148 -13.7148 -6.3711 -6.3711 -5.4179 -5.4179 -5.1717 -5.1717 -0.1954 -0.1954 1.6678 1.6678 1.8282 1.8282 6.6785 6.6785 7.9217 7.9217 7.9959 7.9959 8.0906 8.0906 8.5085 8.5085 9.3264 9.3264 9.5158 9.5158 9.5940 9.5940 9.8636 9.8636 13.3005 13.3005 14.4654 14.4654 14.5286 14.5286 15.3760 15.3760 k =-0.0982 0.0981 0.5028 ( 2662 PWs) bands (ev): -45.6474 -45.6474 -22.3636 -22.3636 -21.7273 -21.7273 -21.6882 -21.6882 -13.7122 -13.7122 -6.3547 -6.3547 -5.4146 -5.4146 -5.1785 -5.1785 -0.2016 -0.2016 1.6575 1.6575 1.8197 1.8197 6.6728 6.6728 7.9129 7.9129 7.9989 7.9989 8.0186 8.0186 8.4867 8.4867 9.3794 9.3794 9.5410 9.5410 9.5697 9.5697 9.8375 9.8375 13.3406 13.3406 14.4702 14.4702 14.5318 14.5318 15.4397 15.4397 k =-0.1071 0.1070 0.5028 ( 2662 PWs) bands (ev): -45.6474 -45.6474 -22.3641 -22.3641 -21.7276 -21.7276 -21.6891 -21.6891 -13.7094 -13.7094 -6.3370 -6.3370 -5.4111 -5.4111 -5.1856 -5.1856 -0.2087 -0.2087 1.6447 1.6447 1.8113 1.8113 6.6669 6.6669 7.9022 7.9022 7.9491 7.9491 8.0017 8.0017 8.4664 8.4664 9.4321 9.4321 9.4922 9.4922 9.6152 9.6152 9.8116 9.8117 13.3835 13.3835 14.4757 14.4757 14.5355 14.5355 15.5076 15.5076 k =-0.1161 0.1159 0.5028 ( 2666 PWs) bands (ev): -45.6474 -45.6474 -22.3646 -22.3646 -21.7278 -21.7278 -21.6902 -21.6902 -13.7064 -13.7064 -6.3178 -6.3178 -5.4073 -5.4073 -5.1930 -5.1930 -0.2168 -0.2168 1.6294 1.6294 1.8032 1.8032 6.6608 6.6608 7.8737 7.8737 7.8994 7.8994 8.0029 8.0029 8.4478 8.4478 9.4349 9.4349 9.4894 9.4894 9.6610 9.6610 9.7867 9.7867 13.4287 13.4287 14.4821 14.4821 14.5400 14.5400 15.5794 15.5794 k =-0.1250 0.1248 0.5028 ( 2666 PWs) bands (ev): -45.6473 -45.6473 -22.3652 -22.3652 -21.7282 -21.7282 -21.6913 -21.6913 -13.7033 -13.7033 -6.2974 -6.2974 -5.4032 -5.4032 -5.2006 -5.2006 -0.2260 -0.2260 1.6117 1.6117 1.7950 1.7950 6.6547 6.6547 7.8125 7.8125 7.8842 7.8842 8.0026 8.0026 8.4309 8.4309 9.3797 9.3797 9.5426 9.5426 9.7047 9.7047 9.7634 9.7634 13.4760 13.4760 14.4894 14.4894 14.5452 14.5452 15.6548 15.6548 k =-0.1339 0.1337 0.5028 ( 2666 PWs) bands (ev): -45.6473 -45.6473 -22.3658 -22.3658 -21.7285 -21.7285 -21.6925 -21.6925 -13.6999 -13.6999 -6.2756 -6.2756 -5.3989 -5.3989 -5.2082 -5.2082 -0.2364 -0.2364 1.5916 1.5916 1.7866 1.7866 6.6486 6.6486 7.7518 7.7518 7.8710 7.8710 8.0005 8.0005 8.4154 8.4154 9.3221 9.3221 9.5968 9.5968 9.7364 9.7364 9.7523 9.7523 13.5253 13.5253 14.4977 14.4977 14.5513 14.5513 15.7333 15.7333 k =-0.1429 0.1426 0.5028 ( 2670 PWs) bands (ev): -45.6472 -45.6472 -22.3664 -22.3664 -21.7288 -21.7288 -21.6937 -21.6937 -13.6963 -13.6963 -6.2526 -6.2526 -5.3944 -5.3944 -5.2158 -5.2158 -0.2479 -0.2479 1.5694 1.5694 1.7776 1.7776 6.6425 6.6425 7.6947 7.6947 7.8569 7.8569 7.9962 7.9962 8.4014 8.4014 9.2633 9.2633 9.6509 9.6509 9.7208 9.7208 9.7895 9.7895 13.5762 13.5762 14.5069 14.5069 14.5583 14.5583 15.8146 15.8146 k =-0.1518 0.1515 0.5028 ( 2666 PWs) bands (ev): -45.6472 -45.6472 -22.3670 -22.3670 -21.7292 -21.7292 -21.6949 -21.6949 -13.6927 -13.6927 -6.2283 -6.2283 -5.3896 -5.3896 -5.2234 -5.2234 -0.2606 -0.2606 1.5453 1.5453 1.7677 1.7677 6.6366 6.6366 7.6419 7.6419 7.8416 7.8416 7.9894 7.9894 8.3889 8.3889 9.2041 9.2041 9.7038 9.7038 9.7060 9.7060 9.8284 9.8284 13.6284 13.6284 14.5171 14.5171 14.5662 14.5662 15.8984 15.8984 k =-0.1607 0.1605 0.5028 ( 2670 PWs) bands (ev): -45.6471 -45.6471 -22.3677 -22.3677 -21.7296 -21.7296 -21.6963 -21.6963 -13.6888 -13.6888 -6.2030 -6.2030 -5.3847 -5.3847 -5.2308 -5.2308 -0.2745 -0.2745 1.5194 1.5194 1.7565 1.7565 6.6308 6.6308 7.5938 7.5938 7.8248 7.8248 7.9798 7.9798 8.3776 8.3776 9.1449 9.1449 9.6925 9.6925 9.7584 9.7584 9.8660 9.8660 13.6818 13.6818 14.5282 14.5282 14.5751 14.5751 15.9843 15.9843 k =-0.1696 0.1694 0.5028 ( 2664 PWs) bands (ev): -45.6471 -45.6471 -22.3684 -22.3684 -21.7299 -21.7299 -21.6976 -21.6976 -13.6849 -13.6849 -6.1765 -6.1765 -5.3795 -5.3795 -5.2380 -5.2380 -0.2895 -0.2895 1.4921 1.4921 1.7437 1.7437 6.6251 6.6251 7.5509 7.5509 7.8065 7.8065 7.9674 7.9674 8.3675 8.3675 9.0863 9.0863 9.6839 9.6839 9.8112 9.8112 9.9023 9.9023 13.7361 13.7361 14.5403 14.5403 14.5851 14.5851 16.0719 16.0719 k =-0.1786 0.1783 0.5028 ( 2664 PWs) bands (ev): -45.6470 -45.6470 -22.3691 -22.3691 -21.7303 -21.7303 -21.6991 -21.6991 -13.6808 -13.6808 -6.1491 -6.1491 -5.3742 -5.3742 -5.2449 -5.2449 -0.3058 -0.3058 1.4635 1.4635 1.7290 1.7290 6.6197 6.6197 7.5133 7.5133 7.7864 7.7864 7.9518 7.9518 8.3586 8.3586 9.0288 9.0288 9.6796 9.6796 9.8633 9.8633 9.9375 9.9375 13.7911 13.7911 14.5534 14.5534 14.5962 14.5962 16.1610 16.1610 k =-0.1875 0.1872 0.5028 ( 2664 PWs) bands (ev): -45.6469 -45.6469 -22.3699 -22.3699 -21.7307 -21.7307 -21.7005 -21.7005 -13.6766 -13.6766 -6.1206 -6.1206 -5.3687 -5.3687 -5.2514 -5.2514 -0.3231 -0.3231 1.4337 1.4337 1.7122 1.7122 6.6145 6.6145 7.4815 7.4815 7.7643 7.7643 7.9331 7.9331 8.3506 8.3506 8.9732 8.9732 9.6797 9.6797 9.9143 9.9143 9.9715 9.9715 13.8465 13.8465 14.5674 14.5674 14.6083 14.6083 16.2512 16.2512 k =-0.1964 0.1961 0.5028 ( 2658 PWs) bands (ev): -45.6469 -45.6469 -22.3706 -22.3706 -21.7311 -21.7311 -21.7020 -21.7020 -13.6723 -13.6723 -6.0913 -6.0913 -5.3630 -5.3630 -5.2575 -5.2575 -0.3416 -0.3416 1.4030 1.4030 1.6931 1.6931 6.6094 6.6094 7.4555 7.4555 7.7402 7.7402 7.9112 7.9112 8.3435 8.3435 8.9198 8.9198 9.6844 9.6844 9.9640 9.9640 10.0049 10.0049 13.9021 13.9021 14.5824 14.5824 14.6215 14.6215 16.3421 16.3421 k =-0.2054 0.2050 0.5028 ( 2650 PWs) bands (ev): -45.6468 -45.6468 -22.3714 -22.3714 -21.7315 -21.7315 -21.7034 -21.7034 -13.6679 -13.6679 -6.0612 -6.0612 -5.3573 -5.3573 -5.2631 -5.2631 -0.3612 -0.3612 1.3715 1.3715 1.6715 1.6715 6.6046 6.6046 7.4355 7.4355 7.7139 7.7139 7.8863 7.8863 8.3372 8.3372 8.8693 8.8693 9.6936 9.6936 10.0114 10.0114 10.0383 10.0383 13.9578 13.9578 14.5982 14.5982 14.6358 14.6358 16.4335 16.4335 k =-0.2143 0.2139 0.5028 ( 2654 PWs) bands (ev): -45.6468 -45.6468 -22.3722 -22.3722 -21.7319 -21.7319 -21.7050 -21.7050 -13.6635 -13.6635 -6.0303 -6.0303 -5.3514 -5.3514 -5.2682 -5.2682 -0.3818 -0.3818 1.3393 1.3393 1.6474 1.6474 6.5999 6.5999 7.4216 7.4216 7.6852 7.6852 7.8586 7.8586 8.3315 8.3315 8.8221 8.8221 9.7073 9.7073 10.0541 10.0541 10.0743 10.0743 14.0134 14.0134 14.6149 14.6149 14.6512 14.6512 16.5250 16.5250 k =-0.2232 0.2229 0.5028 ( 2654 PWs) bands (ev): -45.6467 -45.6467 -22.3730 -22.3730 -21.7323 -21.7323 -21.7065 -21.7065 -13.6591 -13.6591 -5.9988 -5.9988 -5.3455 -5.3455 -5.2727 -5.2727 -0.4034 -0.4034 1.3066 1.3066 1.6206 1.6206 6.5954 6.5954 7.4137 7.4137 7.6542 7.6542 7.8282 7.8282 8.3264 8.3264 8.7786 8.7786 9.7254 9.7254 10.0893 10.0893 10.1156 10.1156 14.0686 14.0686 14.6323 14.6323 14.6676 14.6676 16.6164 16.6164 k =-0.2321 0.2318 0.5028 ( 2652 PWs) bands (ev): -45.6466 -45.6466 -22.3738 -22.3738 -21.7328 -21.7328 -21.7081 -21.7081 -13.6546 -13.6546 -5.9667 -5.9667 -5.3395 -5.3395 -5.2766 -5.2766 -0.4259 -0.4259 1.2735 1.2735 1.5913 1.5913 6.5909 6.5909 7.4117 7.4117 7.6210 7.6210 7.7954 7.7954 8.3217 8.3217 8.7393 8.7393 9.7475 9.7475 10.1201 10.1201 10.1590 10.1590 14.1233 14.1233 14.6506 14.6506 14.6850 14.6850 16.7071 16.7071 k =-0.2411 0.2407 0.5028 ( 2656 PWs) bands (ev): -45.6466 -45.6466 -22.3747 -22.3747 -21.7332 -21.7332 -21.7097 -21.7097 -13.6501 -13.6501 -5.9341 -5.9341 -5.3335 -5.3335 -5.2798 -5.2798 -0.4492 -0.4492 1.2402 1.2402 1.5594 1.5594 6.5865 6.5865 7.4153 7.4153 7.5857 7.5857 7.7606 7.7606 8.3174 8.3174 8.7044 8.7044 9.7735 9.7735 10.1493 10.1493 10.2020 10.2020 14.1774 14.1774 14.6695 14.6695 14.7034 14.7034 16.7970 16.7970 k =-0.2500 0.2496 0.5028 ( 2656 PWs) bands (ev): -45.6465 -45.6465 -22.3755 -22.3755 -21.7336 -21.7336 -21.7112 -21.7112 -13.6456 -13.6456 -5.9011 -5.9011 -5.3274 -5.3274 -5.2823 -5.2823 -0.4732 -0.4732 1.2067 1.2067 1.5252 1.5252 6.5820 6.5820 7.4236 7.4236 7.5490 7.5490 7.7241 7.7241 8.3135 8.3135 8.6739 8.6739 9.8030 9.8030 10.1775 10.1775 10.2438 10.2438 14.2307 14.2307 14.6890 14.6890 14.7226 14.7226 16.8856 16.8856 k =-0.2589 0.2585 0.5028 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3764 -22.3764 -21.7341 -21.7341 -21.7129 -21.7129 -13.6411 -13.6411 -5.8678 -5.8678 -5.3215 -5.3215 -5.2840 -5.2840 -0.4979 -0.4979 1.1733 1.1733 1.4886 1.4886 6.5773 6.5773 7.4345 7.4345 7.5133 7.5133 7.6862 7.6862 8.3100 8.3100 8.6478 8.6478 9.8357 9.8357 10.2050 10.2050 10.2841 10.2841 14.2831 14.2831 14.7090 14.7090 14.7426 14.7426 16.9726 16.9726 k =-0.2679 0.2674 0.5028 ( 2668 PWs) bands (ev): -45.6464 -45.6464 -22.3772 -22.3772 -21.7345 -21.7345 -21.7144 -21.7144 -13.6366 -13.6366 -5.8343 -5.8343 -5.3157 -5.3157 -5.2849 -5.2849 -0.5232 -0.5232 1.1399 1.1399 1.4501 1.4501 6.5724 6.5724 7.4360 7.4360 7.4905 7.4905 7.6473 7.6473 8.3069 8.3069 8.6261 8.6261 9.8712 9.8712 10.2320 10.2320 10.3228 10.3228 14.3344 14.3344 14.7295 14.7295 14.7633 14.7633 17.0576 17.0576 k =-0.2768 0.2763 0.5028 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3780 -22.3780 -21.7350 -21.7350 -21.7160 -21.7160 -13.6322 -13.6322 -5.8007 -5.8007 -5.3100 -5.3100 -5.2850 -5.2850 -0.5490 -0.5490 1.1068 1.1068 1.4096 1.4096 6.5670 6.5670 7.4085 7.4085 7.5002 7.5002 7.6076 7.6076 8.3044 8.3044 8.6085 8.6085 9.9092 9.9092 10.2587 10.2587 10.3598 10.3598 14.3846 14.3846 14.7504 14.7504 14.7846 14.7846 17.1400 17.1400 k =-0.2857 0.2853 0.5028 ( 2668 PWs) bands (ev): -45.6463 -45.6463 -22.3789 -22.3789 -21.7354 -21.7354 -21.7175 -21.7175 -13.6278 -13.6278 -5.7670 -5.7670 -5.3047 -5.3047 -5.2841 -5.2841 -0.5752 -0.5752 1.0740 1.0740 1.3677 1.3677 6.5612 6.5612 7.3688 7.3688 7.5256 7.5256 7.5674 7.5674 8.3026 8.3026 8.5946 8.5946 9.9494 9.9494 10.2850 10.2850 10.3951 10.3951 14.4335 14.4335 14.7715 14.7715 14.8065 14.8065 17.2193 17.2193 k =-0.2946 0.2942 0.5028 ( 2660 PWs) bands (ev): -45.6462 -45.6462 -22.3796 -22.3796 -21.7358 -21.7358 -21.7190 -21.7190 -13.6235 -13.6235 -5.7335 -5.7335 -5.2998 -5.2998 -5.2822 -5.2822 -0.6017 -0.6017 1.0417 1.0417 1.3244 1.3244 6.5546 6.5546 7.3263 7.3263 7.5272 7.5272 7.5572 7.5572 8.3016 8.3016 8.5840 8.5840 9.9913 9.9913 10.3111 10.3111 10.4287 10.4287 14.4810 14.4810 14.7928 14.7928 14.8288 14.8288 17.2951 17.2951 k =-0.3036 0.3031 0.5028 ( 2656 PWs) bands (ev): -45.6461 -45.6461 -22.3804 -22.3804 -21.7361 -21.7361 -21.7205 -21.7205 -13.6192 -13.6192 -5.7002 -5.7002 -5.2955 -5.2955 -5.2792 -5.2792 -0.6284 -0.6284 1.0099 1.0099 1.2801 1.2801 6.5473 6.5473 7.2835 7.2835 7.4870 7.4870 7.5926 7.5926 8.3018 8.3018 8.5763 8.5763 10.0347 10.0347 10.3370 10.3370 10.4605 10.4605 14.5271 14.5271 14.8142 14.8142 14.8514 14.8514 17.3666 17.3666 k =-0.3125 0.3120 0.5028 ( 2644 PWs) bands (ev): -45.6461 -45.6461 -22.3811 -22.3811 -21.7365 -21.7365 -21.7218 -21.7218 -13.6151 -13.6151 -5.6673 -5.6673 -5.2915 -5.2915 -5.2753 -5.2753 -0.6552 -0.6552 0.9788 0.9788 1.2352 1.2352 6.5389 6.5389 7.2412 7.2412 7.4472 7.4472 7.6308 7.6308 8.3032 8.3032 8.5712 8.5712 10.0793 10.0793 10.3628 10.3628 10.4905 10.4905 14.5718 14.5718 14.8355 14.8355 14.8741 14.8741 17.4331 17.4331 k =-0.3214 0.3209 0.5028 ( 2648 PWs) bands (ev): -45.6460 -45.6460 -22.3819 -22.3819 -21.7369 -21.7369 -21.7233 -21.7233 -13.6111 -13.6111 -5.6347 -5.6347 -5.2878 -5.2878 -5.2707 -5.2707 -0.6820 -0.6820 0.9484 0.9484 1.1899 1.1899 6.5294 6.5294 7.2002 7.2002 7.4081 7.4081 7.6709 7.6709 8.3060 8.3060 8.5682 8.5682 10.1246 10.1246 10.3885 10.3885 10.5188 10.5188 14.6148 14.6148 14.8568 14.8568 14.8969 14.8969 17.4937 17.4937 k =-0.3304 0.3298 0.5028 ( 2646 PWs) bands (ev): -45.6459 -45.6459 -22.3827 -22.3827 -21.7373 -21.7373 -21.7246 -21.7246 -13.6072 -13.6072 -5.6028 -5.6028 -5.2840 -5.2840 -5.2658 -5.2658 -0.7086 -0.7086 0.9189 0.9189 1.1446 1.1446 6.5186 6.5186 7.1609 7.1609 7.3697 7.3697 7.7123 7.7123 8.3106 8.3106 8.5669 8.5669 10.1703 10.1703 10.4142 10.4142 10.5454 10.5454 14.6561 14.6561 14.8778 14.8778 14.9195 14.9195 17.5476 17.5476 k =-0.3393 0.3387 0.5028 ( 2650 PWs) bands (ev): -45.6459 -45.6459 -22.3834 -22.3834 -21.7376 -21.7376 -21.7260 -21.7260 -13.6034 -13.6034 -5.5715 -5.5715 -5.2801 -5.2801 -5.2607 -5.2607 -0.7350 -0.7350 0.8903 0.8903 1.0995 1.0995 6.5063 6.5063 7.1239 7.1239 7.3323 7.3323 7.7539 7.7539 8.3170 8.3170 8.5672 8.5672 10.2162 10.2162 10.4398 10.4398 10.5703 10.5703 14.6958 14.6958 14.8985 14.8985 14.9420 14.9420 17.5936 17.5936 k =-0.3482 0.3477 0.5028 ( 2654 PWs) bands (ev): -45.6458 -45.6458 -22.3841 -22.3841 -21.7380 -21.7380 -21.7273 -21.7273 -13.5997 -13.5997 -5.5410 -5.5410 -5.2759 -5.2759 -5.2555 -5.2555 -0.7611 -0.7611 0.8628 0.8628 1.0551 1.0551 6.4927 6.4927 7.0895 7.0895 7.2961 7.2961 7.7952 7.7952 8.3255 8.3255 8.5686 8.5686 10.2619 10.2619 10.4653 10.4653 10.5936 10.5936 14.7336 14.7336 14.9188 14.9188 14.9641 14.9641 17.6311 17.6311 k =-0.3571 0.3566 0.5028 ( 2654 PWs) bands (ev): -45.6458 -45.6458 -22.3848 -22.3848 -21.7383 -21.7383 -21.7285 -21.7285 -13.5962 -13.5962 -5.5115 -5.5115 -5.2716 -5.2716 -5.2504 -5.2504 -0.7866 -0.7866 0.8364 0.8364 1.0115 1.0115 6.4775 6.4775 7.0580 7.0580 7.2612 7.2612 7.8352 7.8352 8.3362 8.3362 8.5710 8.5710 10.3071 10.3071 10.4907 10.4907 10.6152 10.6152 14.7697 14.7697 14.9386 14.9386 14.9856 14.9856 17.6593 17.6593 k =-0.3661 0.3655 0.5028 ( 2650 PWs) bands (ev): -45.6457 -45.6457 -22.3854 -22.3854 -21.7386 -21.7386 -21.7297 -21.7297 -13.5929 -13.5929 -5.4830 -5.4830 -5.2670 -5.2670 -5.2454 -5.2454 -0.8115 -0.8115 0.8112 0.8112 0.9691 0.9691 6.4610 6.4610 7.0296 7.0296 7.2278 7.2278 7.8733 7.8733 8.3493 8.3493 8.5742 8.5742 10.3515 10.3515 10.5160 10.5160 10.6352 10.6352 14.8039 14.8039 14.9578 14.9578 15.0066 15.0066 17.6778 17.6778 k =-0.3750 0.3744 0.5028 ( 2642 PWs) bands (ev): -45.6457 -45.6457 -22.3860 -22.3860 -21.7389 -21.7389 -21.7308 -21.7308 -13.5897 -13.5897 -5.4557 -5.4557 -5.2624 -5.2624 -5.2406 -5.2406 -0.8357 -0.8357 0.7872 0.7872 0.9282 0.9282 6.4432 6.4432 7.0043 7.0043 7.1960 7.1960 7.9089 7.9089 8.3648 8.3648 8.5779 8.5779 10.3948 10.3948 10.5410 10.5410 10.6538 10.6538 14.8361 14.8361 14.9763 14.9763 15.0268 15.0268 17.6872 17.6872 k =-0.3839 0.3833 0.5028 ( 2642 PWs) bands (ev): -45.6456 -45.6456 -22.3866 -22.3866 -21.7392 -21.7392 -21.7318 -21.7318 -13.5868 -13.5868 -5.4296 -5.4296 -5.2576 -5.2576 -5.2359 -5.2359 -0.8590 -0.8590 0.7646 0.7646 0.8889 0.8889 6.4246 6.4246 6.9821 6.9821 7.1659 7.1659 7.9412 7.9412 8.3826 8.3826 8.5821 8.5821 10.4366 10.4366 10.5657 10.5657 10.6708 10.6708 14.8664 14.8664 14.9940 14.9940 15.0462 15.0462 17.6880 17.6880 k =-0.3929 0.3922 0.5028 ( 2642 PWs) bands (ev): -45.6456 -45.6456 -22.3871 -22.3871 -21.7395 -21.7395 -21.7328 -21.7328 -13.5840 -13.5840 -5.4050 -5.4050 -5.2528 -5.2528 -5.2314 -5.2314 -0.8813 -0.8813 0.7434 0.7434 0.8516 0.8516 6.4053 6.4053 6.9628 6.9628 7.1377 7.1377 7.9702 7.9702 8.4025 8.4025 8.5865 8.5865 10.4767 10.4767 10.5900 10.5900 10.6863 10.6863 14.8947 14.8947 15.0108 15.0108 15.0645 15.0645 17.6818 17.6818 k =-0.4018 0.4011 0.5028 ( 2642 PWs) bands (ev): -45.6456 -45.6456 -22.3876 -22.3876 -21.7397 -21.7397 -21.7337 -21.7337 -13.5814 -13.5814 -5.3819 -5.3819 -5.2481 -5.2481 -5.2271 -5.2271 -0.9024 -0.9024 0.7237 0.7237 0.8165 0.8165 6.3858 6.3858 6.9463 6.9463 7.1114 7.1114 7.9956 7.9956 8.4241 8.4241 8.5911 8.5911 10.5149 10.5149 10.6136 10.6136 10.7005 10.7005 14.9210 14.9210 15.0266 15.0266 15.0818 15.0818 17.6700 17.6700 k =-0.4107 0.4101 0.5028 ( 2646 PWs) bands (ev): -45.6455 -45.6455 -22.3881 -22.3881 -21.7400 -21.7400 -21.7346 -21.7346 -13.5790 -13.5790 -5.3605 -5.3605 -5.2434 -5.2434 -5.2230 -5.2230 -0.9222 -0.9222 0.7055 0.7055 0.7838 0.7838 6.3665 6.3665 6.9322 6.9322 7.0871 7.0871 8.0174 8.0174 8.4467 8.4467 8.5958 8.5958 10.5508 10.5508 10.6364 10.6364 10.7133 10.7133 14.9451 14.9451 15.0413 15.0413 15.0979 15.0979 17.6543 17.6543 k =-0.4196 0.4190 0.5028 ( 2650 PWs) bands (ev): -45.6455 -45.6455 -22.3886 -22.3886 -21.7402 -21.7402 -21.7354 -21.7354 -13.5768 -13.5768 -5.3408 -5.3408 -5.2390 -5.2390 -5.2192 -5.2192 -0.9406 -0.9406 0.6888 0.6888 0.7536 0.7536 6.3478 6.3478 6.9203 6.9203 7.0649 7.0649 8.0360 8.0360 8.4697 8.4697 8.6004 8.6004 10.5841 10.5841 10.6581 10.6581 10.7248 10.7248 14.9671 14.9671 15.0550 15.0550 15.1128 15.1128 17.6361 17.6361 k =-0.4286 0.4279 0.5028 ( 2646 PWs) bands (ev): -45.6455 -45.6455 -22.3889 -22.3889 -21.7404 -21.7404 -21.7360 -21.7360 -13.5748 -13.5748 -5.3230 -5.3230 -5.2348 -5.2348 -5.2157 -5.2157 -0.9575 -0.9575 0.6738 0.6738 0.7262 0.7262 6.3300 6.3300 6.9104 6.9104 7.0448 7.0448 8.0516 8.0516 8.4922 8.4922 8.6050 8.6050 10.6146 10.6146 10.6786 10.6786 10.7350 10.7350 14.9870 14.9870 15.0674 15.0674 15.1263 15.1263 17.6169 17.6169 k =-0.4375 0.4368 0.5028 ( 2652 PWs) bands (ev): -45.6454 -45.6454 -22.3893 -22.3893 -21.7406 -21.7406 -21.7367 -21.7367 -13.5731 -13.5731 -5.3071 -5.3071 -5.2308 -5.2308 -5.2125 -5.2125 -0.9727 -0.9727 0.6605 0.6605 0.7016 0.7016 6.3134 6.3134 6.9022 6.9022 7.0270 7.0270 8.0645 8.0645 8.5136 8.5136 8.6095 8.6095 10.6421 10.6421 10.6975 10.6975 10.7440 10.7440 15.0046 15.0046 15.0785 15.0785 15.1383 15.1383 17.5977 17.5977 k =-0.4464 0.4457 0.5028 ( 2648 PWs) bands (ev): -45.6454 -45.6454 -22.3896 -22.3896 -21.7407 -21.7407 -21.7372 -21.7372 -13.5715 -13.5715 -5.2933 -5.2933 -5.2272 -5.2272 -5.2096 -5.2096 -0.9861 -0.9861 0.6489 0.6489 0.6801 0.6801 6.2986 6.2986 6.8955 6.8955 7.0115 7.0115 8.0751 8.0751 8.5330 8.5330 8.6139 8.6139 10.6664 10.6664 10.7146 10.7146 10.7518 10.7518 15.0199 15.0199 15.0882 15.0882 15.1489 15.1489 17.5794 17.5794 k =-0.4554 0.4546 0.5028 ( 2644 PWs) bands (ev): -45.6454 -45.6454 -22.3898 -22.3898 -21.7409 -21.7409 -21.7376 -21.7376 -13.5702 -13.5702 -5.2817 -5.2817 -5.2240 -5.2240 -5.2071 -5.2071 -0.9976 -0.9976 0.6390 0.6390 0.6617 0.6617 6.2855 6.2855 6.8901 6.8901 6.9982 6.9982 8.0836 8.0836 8.5500 8.5500 8.6181 8.6181 10.6872 10.6872 10.7295 10.7295 10.7585 10.7585 15.0329 15.0329 15.0966 15.0966 15.1580 15.1580 17.5628 17.5628 k =-0.4643 0.4635 0.5028 ( 2640 PWs) bands (ev): -45.6454 -45.6454 -22.3900 -22.3900 -21.7410 -21.7410 -21.7380 -21.7380 -13.5692 -13.5692 -5.2722 -5.2722 -5.2212 -5.2212 -5.2050 -5.2050 -1.0072 -1.0072 0.6308 0.6308 0.6465 0.6465 6.2746 6.2746 6.8859 6.8859 6.9873 6.9873 8.0903 8.0903 8.5639 8.5639 8.6222 8.6222 10.7044 10.7044 10.7420 10.7420 10.7641 10.7641 15.0437 15.0437 15.1035 15.1035 15.1655 15.1655 17.5485 17.5485 k =-0.4732 0.4725 0.5028 ( 2624 PWs) bands (ev): -45.6454 -45.6454 -22.3901 -22.3901 -21.7410 -21.7410 -21.7382 -21.7382 -13.5683 -13.5683 -5.2648 -5.2648 -5.2188 -5.2188 -5.2032 -5.2032 -1.0147 -1.0147 0.6244 0.6244 0.6347 0.6347 6.2659 6.2659 6.8828 6.8828 6.9789 6.9789 8.0954 8.0954 8.5746 8.5746 8.6260 8.6260 10.7178 10.7178 10.7519 10.7519 10.7687 10.7687 15.0520 15.0520 15.1089 15.1089 15.1713 15.1713 17.5369 17.5369 k =-0.4821 0.4814 0.5028 ( 2612 PWs) bands (ev): -45.6453 -45.6453 -22.3902 -22.3902 -21.7411 -21.7411 -21.7383 -21.7383 -13.5677 -13.5677 -5.2597 -5.2597 -5.2171 -5.2171 -5.2020 -5.2020 -1.0201 -1.0201 0.6198 0.6198 0.6262 0.6262 6.2596 6.2596 6.8806 6.8806 6.9728 6.9728 8.0989 8.0989 8.5820 8.5820 8.6292 8.6292 10.7274 10.7274 10.7590 10.7590 10.7722 10.7722 15.0580 15.0580 15.1128 15.1128 15.1755 15.1755 17.5284 17.5284 k =-0.4911 0.4903 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3902 -22.3902 -21.7411 -21.7411 -21.7383 -21.7383 -13.5674 -13.5674 -5.2566 -5.2566 -5.2160 -5.2160 -5.2012 -5.2012 -1.0234 -1.0234 0.6169 0.6169 0.6212 0.6212 6.2558 6.2558 6.8793 6.8793 6.9691 6.9691 8.1009 8.1009 8.5863 8.5863 8.6313 8.6313 10.7332 10.7332 10.7631 10.7631 10.7744 10.7744 15.0616 15.0616 15.1152 15.1152 15.1781 15.1781 17.5231 17.5231 k =-0.5000 0.4992 0.5028 ( 2608 PWs) bands (ev): -45.6453 -45.6453 -22.3903 -22.3903 -21.7411 -21.7411 -21.7384 -21.7384 -13.5673 -13.5673 -5.2556 -5.2556 -5.2156 -5.2156 -5.2010 -5.2010 -1.0245 -1.0245 0.6159 0.6159 0.6196 0.6196 6.2545 6.2545 6.8789 6.8789 6.9679 6.9679 8.1016 8.1016 8.5877 8.5877 8.6321 8.6321 10.7351 10.7351 10.7645 10.7645 10.7752 10.7752 15.0628 15.0628 15.1160 15.1160 15.1789 15.1789 17.5214 17.5214 Writing output data file BaTiO3.save init_run : 4.04s CPU 13.53s WALL ( 1 calls) electrons : 722.86s CPU 731.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 722.82s CPU 730.94s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.92s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.56s WALL ( 1 calls) newd : 0.38s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 478 calls) cegterg : 672.32s CPU 677.05s WALL ( 1163 calls) Called by sum_band: Called by *egterg: h_psi : 258.59s CPU 269.03s WALL ( 19407 calls) s_psi : 29.28s CPU 30.01s WALL ( 19407 calls) g_psi : 0.60s CPU 0.66s WALL ( 17766 calls) cdiaghg : 286.27s CPU 281.74s WALL ( 18244 calls) cegterg:over : 59.87s CPU 56.57s WALL ( 17766 calls) cegterg:upda : 8.07s CPU 12.06s WALL ( 17766 calls) cegterg:last : 8.74s CPU 9.91s WALL ( 3060 calls) Called by h_psi: h_psi:vloc : 200.45s CPU 209.35s WALL ( 19407 calls) h_psi:vnl : 57.90s CPU 58.86s WALL ( 19407 calls) add_vuspsi : 17.74s CPU 21.85s WALL ( 19407 calls) General routines calbec : 40.08s CPU 36.87s WALL ( 19407 calls) fft : 0.33s CPU 1.16s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 187.13s CPU 191.92s WALL ( 1709444 calls) interpolate : 0.12s CPU 0.14s WALL ( 4 calls) davcio : 0.07s CPU 2.33s WALL ( 956 calls) Parallel routines fft_scatter : 134.74s CPU 136.84s WALL ( 1709467 calls) PWSCF : 13m 2.36s CPU 14m49.97s WALL This run was terminated on: 22: 5:41 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=