Program PWSCF v.5.4.0 starts on 12Feb2017 at 11:10: 5 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Te.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 23 7 656 503 87 Max 29 24 8 661 513 90 Sum 1013 855 263 23707 18323 3181 bravais-lattice index = 14 lattice parameter (alat) = 14.1975 a.u. unit-cell volume = 748.2601 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 152.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.197511 celldm(2)= 0.413151 celldm(3)= 0.633568 celldm(4)= 0.047281 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.413151 0.000000 ) a(3) = ( 0.000000 0.029956 0.632860 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 2.420425 -0.114568 ) b(3) = ( 0.000000 0.000000 1.580129 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 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 and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0232372), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0464744), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0697116), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0929487), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.1161859), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.1394231), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.1626603), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.1858975), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.2091347), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.2323718), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.2556090), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.3020834), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.3253206), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.3485578), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.3950321), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.4182693), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.4415065), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.4647437), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.4879809), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.5112180), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.5344552), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.5576924), wk = 0.0032258 k( 26) = ( 0.0000000 0.0000000 0.5809296), wk = 0.0032258 k( 27) = ( 0.0000000 0.0000000 0.6041668), wk = 0.0032258 k( 28) = ( 0.0000000 0.0000000 0.6274040), wk = 0.0032258 k( 29) = ( 0.0000000 0.0000000 0.6506412), wk = 0.0032258 k( 30) = ( 0.0000000 0.0000000 0.6738783), wk = 0.0032258 k( 31) = ( 0.0000000 0.0000000 0.6971155), wk = 0.0032258 k( 32) = ( 0.0000000 0.0000000 0.7203527), wk = 0.0032258 k( 33) = ( 0.0000000 0.0000000 0.7435899), wk = 0.0032258 k( 34) = ( 0.0000000 0.0000000 0.7668271), wk = 0.0032258 k( 35) = ( 0.0000000 0.0000000 0.7900643), wk = 0.0032258 k( 36) = ( 0.0000000 0.0000000 0.7900643), wk = 0.0032258 k( 37) = ( 0.0000000 0.0235106 0.7900642), wk = 0.0032258 k( 38) = ( 0.0000000 0.0470211 0.7900643), wk = 0.0032258 k( 39) = ( 0.0000000 0.0705317 0.7900643), wk = 0.0032258 k( 40) = ( 0.0000000 0.0940422 0.7900642), wk = 0.0032258 k( 41) = ( 0.0000000 0.1175527 0.7900642), wk = 0.0032258 k( 42) = ( 0.0000000 0.1410633 0.7900643), wk = 0.0032258 k( 43) = ( 0.0000000 0.1645738 0.7900642), wk = 0.0032258 k( 44) = ( 0.0000000 0.1880844 0.7900642), wk = 0.0032258 k( 45) = ( 0.0000000 0.2115949 0.7900643), wk = 0.0032258 k( 46) = ( 0.0000000 0.2351055 0.7900642), wk = 0.0032258 k( 47) = ( 0.0000000 0.2586160 0.7900642), wk = 0.0032258 k( 48) = ( 0.0000000 0.2821266 0.7900643), wk = 0.0032258 k( 49) = ( 0.0000000 0.3056371 0.7900643), wk = 0.0032258 k( 50) = ( 0.0000000 0.3291477 0.7900642), wk = 0.0032258 k( 51) = ( 0.0000000 0.3526582 0.7900642), wk = 0.0032258 k( 52) = ( 0.0000000 0.3761688 0.7900643), wk = 0.0032258 k( 53) = ( 0.0000000 0.3996793 0.7900642), wk = 0.0032258 k( 54) = ( 0.0000000 0.4231899 0.7900642), wk = 0.0032258 k( 55) = ( 0.0000000 0.4467004 0.7900643), wk = 0.0032258 k( 56) = ( 0.0000000 0.4702110 0.7900643), wk = 0.0032258 k( 57) = ( 0.0000000 0.4937215 0.7900642), wk = 0.0032258 k( 58) = ( 0.0000000 0.5172320 0.7900643), wk = 0.0032258 k( 59) = ( 0.0000000 0.5407426 0.7900643), wk = 0.0032258 k( 60) = ( 0.0000000 0.5642531 0.7900642), wk = 0.0032258 k( 61) = ( 0.0000000 0.5877637 0.7900642), wk = 0.0032258 k( 62) = ( 0.0000000 0.6112743 0.7900643), wk = 0.0032258 k( 63) = ( 0.0000000 0.6347848 0.7900642), wk = 0.0032258 k( 64) = ( 0.0000000 0.6582954 0.7900642), wk = 0.0032258 k( 65) = ( 0.0000000 0.6818059 0.7900643), wk = 0.0032258 k( 66) = ( 0.0000000 0.7053164 0.7900643), wk = 0.0032258 k( 67) = ( 0.0000000 0.7288270 0.7900642), wk = 0.0032258 k( 68) = ( 0.0000000 0.7523375 0.7900643), wk = 0.0032258 k( 69) = ( 0.0000000 0.7758481 0.7900643), wk = 0.0032258 k( 70) = ( 0.0000000 0.7993586 0.7900642), wk = 0.0032258 k( 71) = ( 0.0000000 0.8228692 0.7900642), wk = 0.0032258 k( 72) = ( 0.0000000 0.8463797 0.7900643), wk = 0.0032258 k( 73) = ( 0.0000000 0.8698903 0.7900642), wk = 0.0032258 k( 74) = ( 0.0000000 0.8934008 0.7900642), wk = 0.0032258 k( 75) = ( 0.0000000 0.9169114 0.7900643), wk = 0.0032258 k( 76) = ( 0.0000000 0.9404219 0.7900643), wk = 0.0032258 k( 77) = ( 0.0000000 0.9639325 0.7900642), wk = 0.0032258 k( 78) = ( 0.0000000 0.9874430 0.7900643), wk = 0.0032258 k( 79) = ( 0.0000000 1.0109536 0.7900643), wk = 0.0032258 k( 80) = ( 0.0000000 1.0344641 0.7900642), wk = 0.0032258 k( 81) = ( 0.0000000 1.0579747 0.7900642), wk = 0.0032258 k( 82) = ( 0.0000000 1.0814852 0.7900643), wk = 0.0032258 k( 83) = ( 0.0000000 1.1049958 0.7900642), wk = 0.0032258 k( 84) = ( 0.0000000 1.1285063 0.7900642), wk = 0.0032258 k( 85) = ( 0.0000000 1.1520168 0.7900643), wk = 0.0032258 k( 86) = ( 0.0000000 1.1755274 0.7900643), wk = 0.0032258 k( 87) = ( 0.0000000 1.1755274 0.7900643), wk = 0.0032258 k( 88) = ( 0.0000000 1.1870891 0.7709696), wk = 0.0032258 k( 89) = ( 0.0000000 1.1986509 0.7518750), wk = 0.0032258 k( 90) = ( 0.0000000 1.2102126 0.7327804), wk = 0.0032258 k( 91) = ( 0.0000000 1.2102126 0.7327804), wk = 0.0032258 k( 92) = ( 0.0238095 1.2102126 0.7327804), wk = 0.0032258 k( 93) = ( 0.0476191 1.2102126 0.7327804), wk = 0.0032258 k( 94) = ( 0.0714286 1.2102126 0.7327804), wk = 0.0032258 k( 95) = ( 0.0952381 1.2102126 0.7327804), wk = 0.0032258 k( 96) = ( 0.1190476 1.2102126 0.7327804), wk = 0.0032258 k( 97) = ( 0.1428571 1.2102126 0.7327804), wk = 0.0032258 k( 98) = ( 0.1666667 1.2102126 0.7327804), wk = 0.0032258 k( 99) = ( 0.1904762 1.2102126 0.7327804), wk = 0.0032258 k( 100) = ( 0.2142857 1.2102126 0.7327804), wk = 0.0032258 k( 101) = ( 0.2380952 1.2102126 0.7327804), wk = 0.0032258 k( 102) = ( 0.2619048 1.2102126 0.7327804), wk = 0.0032258 k( 103) = ( 0.2857143 1.2102126 0.7327804), wk = 0.0032258 k( 104) = ( 0.3095238 1.2102126 0.7327804), wk = 0.0032258 k( 105) = ( 0.3333333 1.2102126 0.7327804), wk = 0.0032258 k( 106) = ( 0.3571429 1.2102126 0.7327804), wk = 0.0032258 k( 107) = ( 0.3809524 1.2102126 0.7327804), wk = 0.0032258 k( 108) = ( 0.4047619 1.2102126 0.7327804), wk = 0.0032258 k( 109) = ( 0.4285714 1.2102126 0.7327804), wk = 0.0032258 k( 110) = ( 0.4523810 1.2102126 0.7327804), wk = 0.0032258 k( 111) = ( 0.4761905 1.2102126 0.7327804), wk = 0.0032258 k( 112) = ( 0.5000000 1.2102126 0.7327804), wk = 0.0032258 k( 113) = ( 0.5000000 1.2102126 0.7327804), wk = 0.0032258 k( 114) = ( 0.5000000 1.2217744 0.7136858), wk = 0.0032258 k( 115) = ( 0.5000000 1.2333361 0.6945911), wk = 0.0032258 k( 116) = ( 0.5000000 1.2448979 0.6754965), wk = 0.0032258 k( 117) = ( 0.5000000 1.2448979 0.6754965), wk = 0.0032258 k( 118) = ( 0.5000000 1.2437790 0.6518584), wk = 0.0032258 k( 119) = ( 0.5000000 1.2426601 0.6282203), wk = 0.0032258 k( 120) = ( 0.5000000 1.2415412 0.6045823), wk = 0.0032258 k( 121) = ( 0.5000000 1.2404223 0.5809442), wk = 0.0032258 k( 122) = ( 0.5000000 1.2393035 0.5573061), wk = 0.0032258 k( 123) = ( 0.5000000 1.2381846 0.5336680), wk = 0.0032258 k( 124) = ( 0.5000000 1.2370657 0.5100300), wk = 0.0032258 k( 125) = ( 0.5000000 1.2359468 0.4863919), wk = 0.0032258 k( 126) = ( 0.5000000 1.2348279 0.4627538), wk = 0.0032258 k( 127) = ( 0.5000000 1.2337091 0.4391157), wk = 0.0032258 k( 128) = ( 0.5000000 1.2325902 0.4154777), wk = 0.0032258 k( 129) = ( 0.5000000 1.2314713 0.3918396), wk = 0.0032258 k( 130) = ( 0.5000000 1.2303524 0.3682015), wk = 0.0032258 k( 131) = ( 0.5000000 1.2292336 0.3445634), wk = 0.0032258 k( 132) = ( 0.5000000 1.2281147 0.3209254), wk = 0.0032258 k( 133) = ( 0.5000000 1.2269958 0.2972873), wk = 0.0032258 k( 134) = ( 0.5000000 1.2258769 0.2736492), wk = 0.0032258 k( 135) = ( 0.5000000 1.2247581 0.2500111), wk = 0.0032258 k( 136) = ( 0.5000000 1.2236392 0.2263731), wk = 0.0032258 k( 137) = ( 0.5000000 1.2225203 0.2027350), wk = 0.0032258 k( 138) = ( 0.5000000 1.2214014 0.1790969), wk = 0.0032258 k( 139) = ( 0.5000000 1.2202825 0.1554588), wk = 0.0032258 k( 140) = ( 0.5000000 1.2191637 0.1318207), wk = 0.0032258 k( 141) = ( 0.5000000 1.2180448 0.1081827), wk = 0.0032258 k( 142) = ( 0.5000000 1.2169259 0.0845446), wk = 0.0032258 k( 143) = ( 0.5000000 1.2158070 0.0609065), wk = 0.0032258 k( 144) = ( 0.5000000 1.2146881 0.0372684), wk = 0.0032258 k( 145) = ( 0.5000000 1.2135693 0.0136304), wk = 0.0032258 k( 146) = ( 0.5000000 1.2124504 -0.0100077), wk = 0.0032258 k( 147) = ( 0.5000000 1.2113315 -0.0336458), wk = 0.0032258 k( 148) = ( 0.5000000 1.2102126 -0.0572839), wk = 0.0032258 k( 149) = ( 0.5000000 1.2102126 -0.0572839), wk = 0.0032258 k( 150) = ( 0.4761905 1.2102126 -0.0572839), wk = 0.0032258 k( 151) = ( 0.4523810 1.2102126 -0.0572839), wk = 0.0032258 k( 152) = ( 0.4285714 1.2102126 -0.0572839), wk = 0.0032258 k( 153) = ( 0.4047619 1.2102126 -0.0572839), wk = 0.0032258 k( 154) = ( 0.3809524 1.2102126 -0.0572839), wk = 0.0032258 k( 155) = ( 0.3571429 1.2102126 -0.0572839), wk = 0.0032258 k( 156) = ( 0.3333333 1.2102126 -0.0572839), wk = 0.0032258 k( 157) = ( 0.3095238 1.2102126 -0.0572839), wk = 0.0032258 k( 158) = ( 0.2857143 1.2102126 -0.0572839), wk = 0.0032258 k( 159) = ( 0.2619048 1.2102126 -0.0572839), wk = 0.0032258 k( 160) = ( 0.2380952 1.2102126 -0.0572839), wk = 0.0032258 k( 161) = ( 0.2142857 1.2102126 -0.0572839), wk = 0.0032258 k( 162) = ( 0.1904762 1.2102126 -0.0572839), wk = 0.0032258 k( 163) = ( 0.1666667 1.2102126 -0.0572839), wk = 0.0032258 k( 164) = ( 0.1428571 1.2102126 -0.0572839), wk = 0.0032258 k( 165) = ( 0.1190476 1.2102126 -0.0572839), wk = 0.0032258 k( 166) = ( 0.0952381 1.2102126 -0.0572839), wk = 0.0032258 k( 167) = ( 0.0714286 1.2102126 -0.0572839), wk = 0.0032258 k( 168) = ( 0.0476191 1.2102126 -0.0572839), wk = 0.0032258 k( 169) = ( 0.0238095 1.2102126 -0.0572839), wk = 0.0032258 k( 170) = ( 0.0000000 1.2102126 -0.0572839), wk = 0.0032258 k( 171) = ( 0.0000000 1.2102126 -0.0572839), wk = 0.0032258 k( 172) = ( 0.0000000 1.2113315 -0.0336458), wk = 0.0032258 k( 173) = ( 0.0000000 1.2124504 -0.0100077), wk = 0.0032258 k( 174) = ( 0.0000000 1.2135693 0.0136304), wk = 0.0032258 k( 175) = ( 0.0000000 1.2146881 0.0372684), wk = 0.0032258 k( 176) = ( 0.0000000 1.2158070 0.0609065), wk = 0.0032258 k( 177) = ( 0.0000000 1.2169259 0.0845446), wk = 0.0032258 k( 178) = ( 0.0000000 1.2180448 0.1081827), wk = 0.0032258 k( 179) = ( 0.0000000 1.2191637 0.1318207), wk = 0.0032258 k( 180) = ( 0.0000000 1.2202825 0.1554588), wk = 0.0032258 k( 181) = ( 0.0000000 1.2214014 0.1790969), wk = 0.0032258 k( 182) = ( 0.0000000 1.2225203 0.2027350), wk = 0.0032258 k( 183) = ( 0.0000000 1.2236392 0.2263731), wk = 0.0032258 k( 184) = ( 0.0000000 1.2247581 0.2500111), wk = 0.0032258 k( 185) = ( 0.0000000 1.2258769 0.2736492), wk = 0.0032258 k( 186) = ( 0.0000000 1.2269958 0.2972873), wk = 0.0032258 k( 187) = ( 0.0000000 1.2281147 0.3209254), wk = 0.0032258 k( 188) = ( 0.0000000 1.2292336 0.3445634), wk = 0.0032258 k( 189) = ( 0.0000000 1.2303524 0.3682015), wk = 0.0032258 k( 190) = ( 0.0000000 1.2314713 0.3918396), wk = 0.0032258 k( 191) = ( 0.0000000 1.2325902 0.4154777), wk = 0.0032258 k( 192) = ( 0.0000000 1.2337091 0.4391157), wk = 0.0032258 k( 193) = ( 0.0000000 1.2348279 0.4627538), wk = 0.0032258 k( 194) = ( 0.0000000 1.2359468 0.4863919), wk = 0.0032258 k( 195) = ( 0.0000000 1.2370657 0.5100300), wk = 0.0032258 k( 196) = ( 0.0000000 1.2381846 0.5336680), wk = 0.0032258 k( 197) = ( 0.0000000 1.2393035 0.5573061), wk = 0.0032258 k( 198) = ( 0.0000000 1.2404223 0.5809442), wk = 0.0032258 k( 199) = ( 0.0000000 1.2415412 0.6045823), wk = 0.0032258 k( 200) = ( 0.0000000 1.2426601 0.6282203), wk = 0.0032258 k( 201) = ( 0.0000000 1.2437790 0.6518584), wk = 0.0032258 k( 202) = ( 0.0000000 1.2448979 0.6754965), wk = 0.0032258 k( 203) = ( 0.5000000 1.1755274 0.7900643), wk = 0.0032258 k( 204) = ( 0.5000000 1.1520168 0.7900643), wk = 0.0032258 k( 205) = ( 0.5000000 1.1285063 0.7900642), wk = 0.0032258 k( 206) = ( 0.5000000 1.1049958 0.7900642), wk = 0.0032258 k( 207) = ( 0.5000000 1.0814852 0.7900643), wk = 0.0032258 k( 208) = ( 0.5000000 1.0579747 0.7900642), wk = 0.0032258 k( 209) = ( 0.5000000 1.0344641 0.7900642), wk = 0.0032258 k( 210) = ( 0.5000000 1.0109536 0.7900643), wk = 0.0032258 k( 211) = ( 0.5000000 0.9874430 0.7900643), wk = 0.0032258 k( 212) = ( 0.5000000 0.9639325 0.7900642), wk = 0.0032258 k( 213) = ( 0.5000000 0.9404219 0.7900643), wk = 0.0032258 k( 214) = ( 0.5000000 0.9169114 0.7900643), wk = 0.0032258 k( 215) = ( 0.5000000 0.8934008 0.7900642), wk = 0.0032258 k( 216) = ( 0.5000000 0.8698903 0.7900642), wk = 0.0032258 k( 217) = ( 0.5000000 0.8463797 0.7900643), wk = 0.0032258 k( 218) = ( 0.5000000 0.8228692 0.7900642), wk = 0.0032258 k( 219) = ( 0.5000000 0.7993586 0.7900642), wk = 0.0032258 k( 220) = ( 0.5000000 0.7758481 0.7900643), wk = 0.0032258 k( 221) = ( 0.5000000 0.7523375 0.7900643), wk = 0.0032258 k( 222) = ( 0.5000000 0.7288270 0.7900642), wk = 0.0032258 k( 223) = ( 0.5000000 0.7053164 0.7900643), wk = 0.0032258 k( 224) = ( 0.5000000 0.6818059 0.7900643), wk = 0.0032258 k( 225) = ( 0.5000000 0.6582954 0.7900642), wk = 0.0032258 k( 226) = ( 0.5000000 0.6347848 0.7900642), wk = 0.0032258 k( 227) = ( 0.5000000 0.6112743 0.7900643), wk = 0.0032258 k( 228) = ( 0.5000000 0.5877637 0.7900642), wk = 0.0032258 k( 229) = ( 0.5000000 0.5642531 0.7900642), wk = 0.0032258 k( 230) = ( 0.5000000 0.5407426 0.7900643), wk = 0.0032258 k( 231) = ( 0.5000000 0.5172320 0.7900643), wk = 0.0032258 k( 232) = ( 0.5000000 0.4937215 0.7900642), wk = 0.0032258 k( 233) = ( 0.5000000 0.4702110 0.7900643), wk = 0.0032258 k( 234) = ( 0.5000000 0.4467004 0.7900643), wk = 0.0032258 k( 235) = ( 0.5000000 0.4231899 0.7900642), wk = 0.0032258 k( 236) = ( 0.5000000 0.3996793 0.7900642), wk = 0.0032258 k( 237) = ( 0.5000000 0.3761688 0.7900643), wk = 0.0032258 k( 238) = ( 0.5000000 0.3526582 0.7900642), wk = 0.0032258 k( 239) = ( 0.5000000 0.3291477 0.7900642), wk = 0.0032258 k( 240) = ( 0.5000000 0.3056371 0.7900643), wk = 0.0032258 k( 241) = ( 0.5000000 0.2821266 0.7900643), wk = 0.0032258 k( 242) = ( 0.5000000 0.2586160 0.7900642), wk = 0.0032258 k( 243) = ( 0.5000000 0.2351055 0.7900642), wk = 0.0032258 k( 244) = ( 0.5000000 0.2115949 0.7900643), wk = 0.0032258 k( 245) = ( 0.5000000 0.1880844 0.7900642), wk = 0.0032258 k( 246) = ( 0.5000000 0.1645738 0.7900642), wk = 0.0032258 k( 247) = ( 0.5000000 0.1410633 0.7900643), wk = 0.0032258 k( 248) = ( 0.5000000 0.1175527 0.7900642), wk = 0.0032258 k( 249) = ( 0.5000000 0.0940422 0.7900642), wk = 0.0032258 k( 250) = ( 0.5000000 0.0705317 0.7900643), wk = 0.0032258 k( 251) = ( 0.5000000 0.0470211 0.7900643), wk = 0.0032258 k( 252) = ( 0.5000000 0.0235106 0.7900642), wk = 0.0032258 k( 253) = ( 0.5000000 -0.0000000 0.7900643), wk = 0.0032258 k( 254) = ( 0.5000000 -0.0000000 0.7900643), wk = 0.0032258 k( 255) = ( 0.5000000 -0.0000000 0.7668271), wk = 0.0032258 k( 256) = ( 0.5000000 -0.0000000 0.7435899), wk = 0.0032258 k( 257) = ( 0.5000000 -0.0000000 0.7203527), wk = 0.0032258 k( 258) = ( 0.5000000 -0.0000000 0.6971155), wk = 0.0032258 k( 259) = ( 0.5000000 -0.0000000 0.6738783), wk = 0.0032258 k( 260) = ( 0.5000000 -0.0000000 0.6506412), wk = 0.0032258 k( 261) = ( 0.5000000 -0.0000000 0.6274040), wk = 0.0032258 k( 262) = ( 0.5000000 -0.0000000 0.6041668), wk = 0.0032258 k( 263) = ( 0.5000000 -0.0000000 0.5809296), wk = 0.0032258 k( 264) = ( 0.5000000 -0.0000000 0.5576924), wk = 0.0032258 k( 265) = ( 0.5000000 -0.0000000 0.5344552), wk = 0.0032258 k( 266) = ( 0.5000000 -0.0000000 0.5112180), wk = 0.0032258 k( 267) = ( 0.5000000 -0.0000000 0.4879809), wk = 0.0032258 k( 268) = ( 0.5000000 -0.0000000 0.4647437), wk = 0.0032258 k( 269) = ( 0.5000000 -0.0000000 0.4415065), wk = 0.0032258 k( 270) = ( 0.5000000 -0.0000000 0.4182693), wk = 0.0032258 k( 271) = ( 0.5000000 -0.0000000 0.3950321), wk = 0.0032258 k( 272) = ( 0.5000000 -0.0000000 0.3717949), wk = 0.0032258 k( 273) = ( 0.5000000 -0.0000000 0.3485578), wk = 0.0032258 k( 274) = ( 0.5000000 -0.0000000 0.3253206), wk = 0.0032258 k( 275) = ( 0.5000000 -0.0000000 0.3020834), wk = 0.0032258 k( 276) = ( 0.5000000 -0.0000000 0.2788462), wk = 0.0032258 k( 277) = ( 0.5000000 -0.0000000 0.2556090), wk = 0.0032258 k( 278) = ( 0.5000000 -0.0000000 0.2323718), wk = 0.0032258 k( 279) = ( 0.5000000 -0.0000000 0.2091347), wk = 0.0032258 k( 280) = ( 0.5000000 -0.0000000 0.1858975), wk = 0.0032258 k( 281) = ( 0.5000000 -0.0000000 0.1626603), wk = 0.0032258 k( 282) = ( 0.5000000 -0.0000000 0.1394231), wk = 0.0032258 k( 283) = ( 0.5000000 -0.0000000 0.1161859), wk = 0.0032258 k( 284) = ( 0.5000000 -0.0000000 0.0929487), wk = 0.0032258 k( 285) = ( 0.5000000 -0.0000000 0.0697116), wk = 0.0032258 k( 286) = ( 0.5000000 -0.0000000 0.0464744), wk = 0.0032258 k( 287) = ( 0.5000000 -0.0000000 0.0232372), wk = 0.0032258 k( 288) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032258 k( 289) = ( 0.0000000 0.0000000 0.7900643), wk = 0.0032258 k( 290) = ( 0.0238095 -0.0000000 0.7900643), wk = 0.0032258 k( 291) = ( 0.0476191 -0.0000000 0.7900643), wk = 0.0032258 k( 292) = ( 0.0714286 -0.0000000 0.7900643), wk = 0.0032258 k( 293) = ( 0.0952381 -0.0000000 0.7900643), wk = 0.0032258 k( 294) = ( 0.1190476 -0.0000000 0.7900643), wk = 0.0032258 k( 295) = ( 0.1428571 -0.0000000 0.7900643), wk = 0.0032258 k( 296) = ( 0.1666667 -0.0000000 0.7900643), wk = 0.0032258 k( 297) = ( 0.1904762 -0.0000000 0.7900643), wk = 0.0032258 k( 298) = ( 0.2142857 -0.0000000 0.7900643), wk = 0.0032258 k( 299) = ( 0.2380952 -0.0000000 0.7900643), wk = 0.0032258 k( 300) = ( 0.2619048 -0.0000000 0.7900643), wk = 0.0032258 k( 301) = ( 0.2857143 -0.0000000 0.7900643), wk = 0.0032258 k( 302) = ( 0.3095238 -0.0000000 0.7900643), wk = 0.0032258 k( 303) = ( 0.3333333 -0.0000000 0.7900643), wk = 0.0032258 k( 304) = ( 0.3571429 -0.0000000 0.7900643), wk = 0.0032258 k( 305) = ( 0.3809524 -0.0000000 0.7900643), wk = 0.0032258 k( 306) = ( 0.4047619 -0.0000000 0.7900643), wk = 0.0032258 k( 307) = ( 0.4285714 -0.0000000 0.7900643), wk = 0.0032258 k( 308) = ( 0.4523810 -0.0000000 0.7900643), wk = 0.0032258 k( 309) = ( 0.4761905 -0.0000000 0.7900643), wk = 0.0032258 k( 310) = ( 0.5000000 -0.0000000 0.7900643), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032258 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0032258 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032258 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0032258 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032258 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0032258 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032258 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0032258 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032258 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0032258 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.0097134 0.5007043), wk = 0.0032258 k( 38) = ( 0.0000000 0.0194268 0.5014085), wk = 0.0032258 k( 39) = ( 0.0000000 0.0291402 0.5021128), wk = 0.0032258 k( 40) = ( 0.0000000 0.0388536 0.5028171), wk = 0.0032258 k( 41) = ( 0.0000000 0.0485670 0.5035214), wk = 0.0032258 k( 42) = ( 0.0000000 0.0582804 0.5042256), wk = 0.0032258 k( 43) = ( 0.0000000 0.0679938 0.5049299), wk = 0.0032258 k( 44) = ( 0.0000000 0.0777072 0.5056342), wk = 0.0032258 k( 45) = ( 0.0000000 0.0874206 0.5063385), wk = 0.0032258 k( 46) = ( 0.0000000 0.0971340 0.5070427), wk = 0.0032258 k( 47) = ( 0.0000000 0.1068473 0.5077470), wk = 0.0032258 k( 48) = ( 0.0000000 0.1165608 0.5084513), wk = 0.0032258 k( 49) = ( 0.0000000 0.1262741 0.5091555), wk = 0.0032258 k( 50) = ( 0.0000000 0.1359875 0.5098598), wk = 0.0032258 k( 51) = ( 0.0000000 0.1457009 0.5105641), wk = 0.0032258 k( 52) = ( 0.0000000 0.1554143 0.5112684), wk = 0.0032258 k( 53) = ( 0.0000000 0.1651277 0.5119726), wk = 0.0032258 k( 54) = ( 0.0000000 0.1748411 0.5126769), wk = 0.0032258 k( 55) = ( 0.0000000 0.1845545 0.5133812), wk = 0.0032258 k( 56) = ( 0.0000000 0.1942679 0.5140855), wk = 0.0032258 k( 57) = ( 0.0000000 0.2039813 0.5147897), wk = 0.0032258 k( 58) = ( 0.0000000 0.2136947 0.5154940), wk = 0.0032258 k( 59) = ( 0.0000000 0.2234081 0.5161983), wk = 0.0032258 k( 60) = ( 0.0000000 0.2331215 0.5169025), wk = 0.0032258 k( 61) = ( 0.0000000 0.2428349 0.5176068), wk = 0.0032258 k( 62) = ( 0.0000000 0.2525483 0.5183111), wk = 0.0032258 k( 63) = ( 0.0000000 0.2622617 0.5190154), wk = 0.0032258 k( 64) = ( 0.0000000 0.2719751 0.5197196), wk = 0.0032258 k( 65) = ( 0.0000000 0.2816885 0.5204239), wk = 0.0032258 k( 66) = ( 0.0000000 0.2914019 0.5211282), wk = 0.0032258 k( 67) = ( 0.0000000 0.3011153 0.5218325), wk = 0.0032258 k( 68) = ( 0.0000000 0.3108287 0.5225367), wk = 0.0032258 k( 69) = ( 0.0000000 0.3205421 0.5232410), wk = 0.0032258 k( 70) = ( 0.0000000 0.3302555 0.5239453), wk = 0.0032258 k( 71) = ( 0.0000000 0.3399688 0.5246496), wk = 0.0032258 k( 72) = ( 0.0000000 0.3496822 0.5253538), wk = 0.0032258 k( 73) = ( 0.0000000 0.3593956 0.5260581), wk = 0.0032258 k( 74) = ( 0.0000000 0.3691090 0.5267624), wk = 0.0032258 k( 75) = ( 0.0000000 0.3788224 0.5274667), wk = 0.0032258 k( 76) = ( 0.0000000 0.3885358 0.5281709), wk = 0.0032258 k( 77) = ( 0.0000000 0.3982492 0.5288752), wk = 0.0032258 k( 78) = ( 0.0000000 0.4079626 0.5295795), wk = 0.0032258 k( 79) = ( 0.0000000 0.4176760 0.5302837), wk = 0.0032258 k( 80) = ( 0.0000000 0.4273894 0.5309880), wk = 0.0032258 k( 81) = ( 0.0000000 0.4371028 0.5316923), wk = 0.0032258 k( 82) = ( 0.0000000 0.4468162 0.5323966), wk = 0.0032258 k( 83) = ( 0.0000000 0.4565296 0.5331008), wk = 0.0032258 k( 84) = ( 0.0000000 0.4662430 0.5338051), wk = 0.0032258 k( 85) = ( 0.0000000 0.4759564 0.5345094), wk = 0.0032258 k( 86) = ( 0.0000000 0.4856698 0.5352136), wk = 0.0032258 k( 87) = ( 0.0000000 0.4856698 0.5352136), wk = 0.0032258 k( 88) = ( 0.0000000 0.4904465 0.5234758), wk = 0.0032258 k( 89) = ( 0.0000000 0.4952233 0.5117379), wk = 0.0032258 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258 k( 92) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0032258 k( 93) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0032258 k( 94) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0032258 k( 95) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0032258 k( 96) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0032258 k( 97) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0032258 k( 98) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032258 k( 99) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0032258 k( 100) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0032258 k( 101) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0032258 k( 102) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0032258 k( 103) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0032258 k( 104) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0032258 k( 105) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032258 k( 106) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0032258 k( 107) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0032258 k( 108) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0032258 k( 109) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0032258 k( 110) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0032258 k( 111) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0032258 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 114) = ( 0.5000000 0.5047767 0.4882621), wk = 0.0032258 k( 115) = ( 0.5000000 0.5095535 0.4765242), wk = 0.0032258 k( 116) = ( 0.5000000 0.5143302 0.4647863), wk = 0.0032258 k( 117) = ( 0.5000000 0.5143302 0.4647863), wk = 0.0032258 k( 118) = ( 0.5000000 0.5138679 0.4497932), wk = 0.0032258 k( 119) = ( 0.5000000 0.5134057 0.4348001), wk = 0.0032258 k( 120) = ( 0.5000000 0.5129434 0.4198070), wk = 0.0032258 k( 121) = ( 0.5000000 0.5124812 0.4048139), wk = 0.0032258 k( 122) = ( 0.5000000 0.5120189 0.3898208), wk = 0.0032258 k( 123) = ( 0.5000000 0.5115566 0.3748277), wk = 0.0032258 k( 124) = ( 0.5000000 0.5110944 0.3598346), wk = 0.0032258 k( 125) = ( 0.5000000 0.5106321 0.3448415), wk = 0.0032258 k( 126) = ( 0.5000000 0.5101698 0.3298484), wk = 0.0032258 k( 127) = ( 0.5000000 0.5097076 0.3148553), wk = 0.0032258 k( 128) = ( 0.5000000 0.5092453 0.2998622), wk = 0.0032258 k( 129) = ( 0.5000000 0.5087830 0.2848691), wk = 0.0032258 k( 130) = ( 0.5000000 0.5083208 0.2698759), wk = 0.0032258 k( 131) = ( 0.5000000 0.5078585 0.2548828), wk = 0.0032258 k( 132) = ( 0.5000000 0.5073962 0.2398897), wk = 0.0032258 k( 133) = ( 0.5000000 0.5069340 0.2248966), wk = 0.0032258 k( 134) = ( 0.5000000 0.5064717 0.2099035), wk = 0.0032258 k( 135) = ( 0.5000000 0.5060094 0.1949104), wk = 0.0032258 k( 136) = ( 0.5000000 0.5055472 0.1799173), wk = 0.0032258 k( 137) = ( 0.5000000 0.5050849 0.1649242), wk = 0.0032258 k( 138) = ( 0.5000000 0.5046226 0.1499311), wk = 0.0032258 k( 139) = ( 0.5000000 0.5041604 0.1349380), wk = 0.0032258 k( 140) = ( 0.5000000 0.5036981 0.1199449), wk = 0.0032258 k( 141) = ( 0.5000000 0.5032359 0.1049518), wk = 0.0032258 k( 142) = ( 0.5000000 0.5027736 0.0899587), wk = 0.0032258 k( 143) = ( 0.5000000 0.5023113 0.0749655), wk = 0.0032258 k( 144) = ( 0.5000000 0.5018491 0.0599724), wk = 0.0032258 k( 145) = ( 0.5000000 0.5013868 0.0449793), wk = 0.0032258 k( 146) = ( 0.5000000 0.5009245 0.0299862), wk = 0.0032258 k( 147) = ( 0.5000000 0.5004623 0.0149931), wk = 0.0032258 k( 148) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 149) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 150) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0032258 k( 151) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0032258 k( 152) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0032258 k( 153) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0032258 k( 154) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0032258 k( 155) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0032258 k( 156) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032258 k( 157) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0032258 k( 158) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0032258 k( 159) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0032258 k( 160) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0032258 k( 161) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0032258 k( 162) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0032258 k( 163) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0032258 k( 164) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0032258 k( 165) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0032258 k( 166) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0032258 k( 167) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0032258 k( 168) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0032258 k( 169) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0032258 k( 170) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 172) = ( 0.0000000 0.5004623 0.0149931), wk = 0.0032258 k( 173) = ( 0.0000000 0.5009245 0.0299862), wk = 0.0032258 k( 174) = ( 0.0000000 0.5013868 0.0449793), wk = 0.0032258 k( 175) = ( 0.0000000 0.5018491 0.0599724), wk = 0.0032258 k( 176) = ( 0.0000000 0.5023113 0.0749655), wk = 0.0032258 k( 177) = ( 0.0000000 0.5027736 0.0899586), wk = 0.0032258 k( 178) = ( 0.0000000 0.5032359 0.1049518), wk = 0.0032258 k( 179) = ( 0.0000000 0.5036981 0.1199449), wk = 0.0032258 k( 180) = ( 0.0000000 0.5041604 0.1349380), wk = 0.0032258 k( 181) = ( 0.0000000 0.5046226 0.1499311), wk = 0.0032258 k( 182) = ( 0.0000000 0.5050849 0.1649242), wk = 0.0032258 k( 183) = ( 0.0000000 0.5055472 0.1799173), wk = 0.0032258 k( 184) = ( 0.0000000 0.5060094 0.1949104), wk = 0.0032258 k( 185) = ( 0.0000000 0.5064717 0.2099035), wk = 0.0032258 k( 186) = ( 0.0000000 0.5069340 0.2248966), wk = 0.0032258 k( 187) = ( 0.0000000 0.5073962 0.2398897), wk = 0.0032258 k( 188) = ( 0.0000000 0.5078585 0.2548828), wk = 0.0032258 k( 189) = ( 0.0000000 0.5083208 0.2698759), wk = 0.0032258 k( 190) = ( 0.0000000 0.5087830 0.2848691), wk = 0.0032258 k( 191) = ( 0.0000000 0.5092453 0.2998622), wk = 0.0032258 k( 192) = ( 0.0000000 0.5097076 0.3148553), wk = 0.0032258 k( 193) = ( 0.0000000 0.5101698 0.3298484), wk = 0.0032258 k( 194) = ( 0.0000000 0.5106321 0.3448415), wk = 0.0032258 k( 195) = ( 0.0000000 0.5110944 0.3598346), wk = 0.0032258 k( 196) = ( 0.0000000 0.5115566 0.3748277), wk = 0.0032258 k( 197) = ( 0.0000000 0.5120189 0.3898208), wk = 0.0032258 k( 198) = ( 0.0000000 0.5124812 0.4048139), wk = 0.0032258 k( 199) = ( 0.0000000 0.5129434 0.4198070), wk = 0.0032258 k( 200) = ( 0.0000000 0.5134057 0.4348001), wk = 0.0032258 k( 201) = ( 0.0000000 0.5138679 0.4497932), wk = 0.0032258 k( 202) = ( 0.0000000 0.5143302 0.4647863), wk = 0.0032258 k( 203) = ( 0.5000000 0.4856698 0.5352136), wk = 0.0032258 k( 204) = ( 0.5000000 0.4759564 0.5345094), wk = 0.0032258 k( 205) = ( 0.5000000 0.4662430 0.5338051), wk = 0.0032258 k( 206) = ( 0.5000000 0.4565296 0.5331008), wk = 0.0032258 k( 207) = ( 0.5000000 0.4468162 0.5323966), wk = 0.0032258 k( 208) = ( 0.5000000 0.4371028 0.5316923), wk = 0.0032258 k( 209) = ( 0.5000000 0.4273894 0.5309880), wk = 0.0032258 k( 210) = ( 0.5000000 0.4176760 0.5302837), wk = 0.0032258 k( 211) = ( 0.5000000 0.4079626 0.5295795), wk = 0.0032258 k( 212) = ( 0.5000000 0.3982492 0.5288752), wk = 0.0032258 k( 213) = ( 0.5000000 0.3885358 0.5281709), wk = 0.0032258 k( 214) = ( 0.5000000 0.3788224 0.5274666), wk = 0.0032258 k( 215) = ( 0.5000000 0.3691090 0.5267624), wk = 0.0032258 k( 216) = ( 0.5000000 0.3593956 0.5260581), wk = 0.0032258 k( 217) = ( 0.5000000 0.3496822 0.5253538), wk = 0.0032258 k( 218) = ( 0.5000000 0.3399688 0.5246495), wk = 0.0032258 k( 219) = ( 0.5000000 0.3302555 0.5239453), wk = 0.0032258 k( 220) = ( 0.5000000 0.3205421 0.5232410), wk = 0.0032258 k( 221) = ( 0.5000000 0.3108287 0.5225367), wk = 0.0032258 k( 222) = ( 0.5000000 0.3011153 0.5218325), wk = 0.0032258 k( 223) = ( 0.5000000 0.2914019 0.5211282), wk = 0.0032258 k( 224) = ( 0.5000000 0.2816885 0.5204239), wk = 0.0032258 k( 225) = ( 0.5000000 0.2719751 0.5197196), wk = 0.0032258 k( 226) = ( 0.5000000 0.2622617 0.5190154), wk = 0.0032258 k( 227) = ( 0.5000000 0.2525483 0.5183111), wk = 0.0032258 k( 228) = ( 0.5000000 0.2428349 0.5176068), wk = 0.0032258 k( 229) = ( 0.5000000 0.2331215 0.5169025), wk = 0.0032258 k( 230) = ( 0.5000000 0.2234081 0.5161983), wk = 0.0032258 k( 231) = ( 0.5000000 0.2136947 0.5154940), wk = 0.0032258 k( 232) = ( 0.5000000 0.2039813 0.5147897), wk = 0.0032258 k( 233) = ( 0.5000000 0.1942679 0.5140855), wk = 0.0032258 k( 234) = ( 0.5000000 0.1845545 0.5133812), wk = 0.0032258 k( 235) = ( 0.5000000 0.1748411 0.5126769), wk = 0.0032258 k( 236) = ( 0.5000000 0.1651277 0.5119726), wk = 0.0032258 k( 237) = ( 0.5000000 0.1554143 0.5112684), wk = 0.0032258 k( 238) = ( 0.5000000 0.1457009 0.5105641), wk = 0.0032258 k( 239) = ( 0.5000000 0.1359875 0.5098598), wk = 0.0032258 k( 240) = ( 0.5000000 0.1262741 0.5091556), wk = 0.0032258 k( 241) = ( 0.5000000 0.1165607 0.5084513), wk = 0.0032258 k( 242) = ( 0.5000000 0.1068473 0.5077470), wk = 0.0032258 k( 243) = ( 0.5000000 0.0971340 0.5070427), wk = 0.0032258 k( 244) = ( 0.5000000 0.0874206 0.5063385), wk = 0.0032258 k( 245) = ( 0.5000000 0.0777072 0.5056342), wk = 0.0032258 k( 246) = ( 0.5000000 0.0679938 0.5049299), wk = 0.0032258 k( 247) = ( 0.5000000 0.0582804 0.5042256), wk = 0.0032258 k( 248) = ( 0.5000000 0.0485670 0.5035214), wk = 0.0032258 k( 249) = ( 0.5000000 0.0388536 0.5028171), wk = 0.0032258 k( 250) = ( 0.5000000 0.0291402 0.5021128), wk = 0.0032258 k( 251) = ( 0.5000000 0.0194268 0.5014085), wk = 0.0032258 k( 252) = ( 0.5000000 0.0097134 0.5007043), wk = 0.0032258 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 255) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0032258 k( 256) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0032258 k( 257) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0032258 k( 258) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0032258 k( 259) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0032258 k( 260) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0032258 k( 261) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0032258 k( 262) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0032258 k( 267) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0032258 k( 268) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0032258 k( 269) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0032258 k( 270) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0032258 k( 271) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032258 k( 272) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0032258 k( 273) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0032258 k( 274) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0032258 k( 275) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0032258 k( 276) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0032258 k( 277) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0032258 k( 278) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0032258 k( 279) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0032258 k( 280) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0032258 k( 281) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0032258 k( 282) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0032258 k( 283) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0032258 k( 284) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0032258 k( 285) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0032258 k( 286) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0032258 k( 287) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0032258 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032258 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 290) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0032258 k( 291) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0032258 k( 292) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0032258 k( 293) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0032258 k( 294) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0032258 k( 295) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0032258 k( 296) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032258 k( 297) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0032258 k( 298) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0032258 k( 299) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0032258 k( 300) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0032258 k( 301) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0032258 k( 302) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0032258 k( 303) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0032258 k( 304) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0032258 k( 305) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0032258 k( 306) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0032258 k( 307) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0032258 k( 308) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0032258 k( 309) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0032258 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 Dense grid: 23707 G-vectors FFT dimensions: ( 60, 24, 36) Smooth grid: 18323 G-vectors FFT dimensions: ( 54, 24, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 140, 32) NL pseudopotentials 0.15 Mb ( 70, 136) Each V/rho on FFT grid 0.02 Mb ( 1440) Each G-vector array 0.01 Mb ( 661) G-vector shells 0.00 Mb ( 578) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 140, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.13 Mb ( 136, 2, 32) The potential is recalculated from file : ./Te.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.2 secs Computing kpt #: 21 total cpu time spent up to now is 7.5 secs Computing kpt #: 22 total cpu time spent up to now is 7.8 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.9 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 11.9 secs Computing kpt #: 38 total cpu time spent up to now is 12.2 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.7 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.2 secs Computing kpt #: 43 total cpu time spent up to now is 13.4 secs Computing kpt #: 44 total cpu time spent up to now is 13.7 secs Computing kpt #: 45 total cpu time spent up to now is 13.9 secs Computing kpt #: 46 total cpu time spent up to now is 14.2 secs Computing kpt #: 47 total cpu time spent up to now is 14.4 secs Computing kpt #: 48 total cpu time spent up to now is 14.7 secs Computing kpt #: 49 total cpu time spent up to now is 14.9 secs Computing kpt #: 50 total cpu time spent up to now is 15.2 secs Computing kpt #: 51 total cpu time spent up to now is 15.4 secs Computing kpt #: 52 total cpu time spent up to now is 15.7 secs Computing kpt #: 53 total cpu time spent up to now is 15.9 secs Computing kpt #: 54 total cpu time spent up to now is 16.1 secs Computing kpt #: 55 total cpu time spent up to now is 16.4 secs Computing kpt #: 56 total cpu time spent up to now is 16.6 secs Computing kpt #: 57 total cpu time spent up to now is 16.8 secs Computing kpt #: 58 total cpu time spent up to now is 17.1 secs Computing kpt #: 59 total cpu time spent up to now is 17.3 secs Computing kpt #: 60 total cpu time spent up to now is 17.6 secs Computing kpt #: 61 total cpu time spent up to now is 17.8 secs Computing kpt #: 62 total cpu time spent up to now is 18.0 secs Computing kpt #: 63 total cpu time spent up to now is 18.3 secs Computing kpt #: 64 total cpu time spent up to now is 18.5 secs Computing kpt #: 65 total cpu time spent up to now is 18.8 secs Computing kpt #: 66 total cpu time spent up to now is 19.0 secs Computing kpt #: 67 total cpu time spent up to now is 19.3 secs Computing kpt #: 68 total cpu time spent up to now is 19.6 secs Computing kpt #: 69 total cpu time spent up to now is 19.8 secs Computing kpt #: 70 total cpu time spent up to now is 20.1 secs Computing kpt #: 71 total cpu time spent up to now is 20.3 secs Computing kpt #: 72 total cpu time spent up to now is 20.6 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.1 secs Computing kpt #: 75 total cpu time spent up to now is 21.3 secs Computing kpt #: 76 total cpu time spent up to now is 21.6 secs Computing kpt #: 77 total cpu time spent up to now is 21.9 secs Computing kpt #: 78 total cpu time spent up to now is 22.1 secs Computing kpt #: 79 total cpu time spent up to now is 22.4 secs Computing kpt #: 80 total cpu time spent up to now is 22.6 secs Computing kpt #: 81 total cpu time spent up to now is 22.9 secs Computing kpt #: 82 total cpu time spent up to now is 23.1 secs Computing kpt #: 83 total cpu time spent up to now is 23.4 secs Computing kpt #: 84 total cpu time spent up to now is 23.6 secs Computing kpt #: 85 total cpu time spent up to now is 23.8 secs Computing kpt #: 86 total cpu time spent up to now is 24.1 secs Computing kpt #: 87 total cpu time spent up to now is 24.3 secs Computing kpt #: 88 total cpu time spent up to now is 24.5 secs Computing kpt #: 89 total cpu time spent up to now is 24.8 secs Computing kpt #: 90 total cpu time spent up to now is 25.0 secs Computing kpt #: 91 total cpu time spent up to now is 25.3 secs Computing kpt #: 92 total cpu time spent up to now is 25.5 secs Computing kpt #: 93 total cpu time spent up to now is 25.7 secs Computing kpt #: 94 total cpu time spent up to now is 26.0 secs Computing kpt #: 95 total cpu time spent up to now is 26.2 secs Computing kpt #: 96 total cpu time spent up to now is 26.5 secs Computing kpt #: 97 total cpu time spent up to now is 26.7 secs Computing kpt #: 98 total cpu time spent up to now is 27.0 secs Computing kpt #: 99 total cpu time spent up to now is 27.2 secs Computing kpt #: 100 total cpu time spent up to now is 27.4 secs Computing kpt #: 101 total cpu time spent up to now is 27.7 secs Computing kpt #: 102 total cpu time spent up to now is 27.9 secs Computing kpt #: 103 total cpu time spent up to now is 28.1 secs Computing kpt #: 104 total cpu time spent up to now is 28.4 secs Computing kpt #: 105 total cpu time spent up to now is 28.6 secs Computing kpt #: 106 total cpu time spent up to now is 28.9 secs Computing kpt #: 107 total cpu time spent up to now is 29.1 secs Computing kpt #: 108 total cpu time spent up to now is 29.3 secs Computing kpt #: 109 total cpu time spent up to now is 29.6 secs Computing kpt #: 110 total cpu time spent up to now is 29.8 secs Computing kpt #: 111 total cpu time spent up to now is 30.0 secs Computing kpt #: 112 total cpu time spent up to now is 30.3 secs Computing kpt #: 113 total cpu time spent up to now is 30.5 secs Computing kpt #: 114 total cpu time spent up to now is 30.7 secs Computing kpt #: 115 total cpu time spent up to now is 31.0 secs Computing kpt #: 116 total cpu time spent up to now is 31.2 secs Computing kpt #: 117 total cpu time spent up to now is 31.4 secs Computing kpt #: 118 total cpu time spent up to now is 31.6 secs Computing kpt #: 119 total cpu time spent up to now is 31.9 secs Computing kpt #: 120 total cpu time spent up to now is 32.1 secs Computing kpt #: 121 total cpu time spent up to now is 32.4 secs Computing kpt #: 122 total cpu time spent up to now is 32.6 secs Computing kpt #: 123 total cpu time spent up to now is 32.8 secs Computing kpt #: 124 total cpu time spent up to now is 33.1 secs Computing kpt #: 125 total cpu time spent up to now is 33.3 secs Computing kpt #: 126 total cpu time spent up to now is 33.6 secs Computing kpt #: 127 total cpu time spent up to now is 33.8 secs Computing kpt #: 128 total cpu time spent up to now is 34.1 secs Computing kpt #: 129 total cpu time spent up to now is 34.3 secs Computing kpt #: 130 total cpu time spent up to now is 34.6 secs Computing kpt #: 131 total cpu time spent up to now is 34.8 secs Computing kpt #: 132 total cpu time spent up to now is 35.1 secs Computing kpt #: 133 total cpu time spent up to now is 35.3 secs Computing kpt #: 134 total cpu time spent up to now is 35.6 secs Computing kpt #: 135 total cpu time spent up to now is 35.8 secs Computing kpt #: 136 total cpu time spent up to now is 36.1 secs Computing kpt #: 137 total cpu time spent up to now is 36.4 secs Computing kpt #: 138 total cpu time spent up to now is 36.6 secs Computing kpt #: 139 total cpu time spent up to now is 36.9 secs Computing kpt #: 140 total cpu time spent up to now is 37.1 secs Computing kpt #: 141 total cpu time spent up to now is 37.4 secs Computing kpt #: 142 total cpu time spent up to now is 37.6 secs Computing kpt #: 143 total cpu time spent up to now is 37.9 secs Computing kpt #: 144 total cpu time spent up to now is 38.1 secs Computing kpt #: 145 total cpu time spent up to now is 38.3 secs Computing kpt #: 146 total cpu time spent up to now is 38.6 secs Computing kpt #: 147 total cpu time spent up to now is 38.8 secs Computing kpt #: 148 total cpu time spent up to now is 39.0 secs Computing kpt #: 149 total cpu time spent up to now is 39.2 secs Computing kpt #: 150 total cpu time spent up to now is 39.5 secs Computing kpt #: 151 total cpu time spent up to now is 39.7 secs Computing kpt #: 152 total cpu time spent up to now is 39.9 secs Computing kpt #: 153 total cpu time spent up to now is 40.2 secs Computing kpt #: 154 total cpu time spent up to now is 40.4 secs Computing kpt #: 155 total cpu time spent up to now is 40.6 secs Computing kpt #: 156 total cpu time spent up to now is 40.9 secs Computing kpt #: 157 total cpu time spent up to now is 41.1 secs Computing kpt #: 158 total cpu time spent up to now is 41.3 secs Computing kpt #: 159 total cpu time spent up to now is 41.6 secs Computing kpt #: 160 total cpu time spent up to now is 41.8 secs Computing kpt #: 161 total cpu time spent up to now is 42.1 secs Computing kpt #: 162 total cpu time spent up to now is 42.3 secs Computing kpt #: 163 total cpu time spent up to now is 42.6 secs Computing kpt #: 164 total cpu time spent up to now is 42.8 secs Computing kpt #: 165 total cpu time spent up to now is 43.1 secs Computing kpt #: 166 total cpu time spent up to now is 43.3 secs Computing kpt #: 167 total cpu time spent up to now is 43.5 secs Computing kpt #: 168 total cpu time spent up to now is 43.8 secs Computing kpt #: 169 total cpu time spent up to now is 44.0 secs Computing kpt #: 170 total cpu time spent up to now is 44.3 secs Computing kpt #: 171 total cpu time spent up to now is 44.5 secs Computing kpt #: 172 total cpu time spent up to now is 44.7 secs Computing kpt #: 173 total cpu time spent up to now is 45.0 secs Computing kpt #: 174 total cpu time spent up to now is 45.2 secs Computing kpt #: 175 total cpu time spent up to now is 45.4 secs Computing kpt #: 176 total cpu time spent up to now is 45.7 secs Computing kpt #: 177 total cpu time spent up to now is 45.9 secs Computing kpt #: 178 total cpu time spent up to now is 46.2 secs Computing kpt #: 179 total cpu time spent up to now is 46.4 secs Computing kpt #: 180 total cpu time spent up to now is 46.6 secs Computing kpt #: 181 total cpu time spent up to now is 46.9 secs Computing kpt #: 182 total cpu time spent up to now is 47.1 secs Computing kpt #: 183 total cpu time spent up to now is 47.3 secs Computing kpt #: 184 total cpu time spent up to now is 47.6 secs Computing kpt #: 185 total cpu time spent up to now is 47.8 secs Computing kpt #: 186 total cpu time spent up to now is 48.1 secs Computing kpt #: 187 total cpu time spent up to now is 48.3 secs Computing kpt #: 188 total cpu time spent up to now is 48.5 secs Computing kpt #: 189 total cpu time spent up to now is 48.8 secs Computing kpt #: 190 total cpu time spent up to now is 49.0 secs Computing kpt #: 191 total cpu time spent up to now is 49.3 secs Computing kpt #: 192 total cpu time spent up to now is 49.5 secs Computing kpt #: 193 total cpu time spent up to now is 49.8 secs Computing kpt #: 194 total cpu time spent up to now is 50.0 secs Computing kpt #: 195 total cpu time spent up to now is 50.2 secs Computing kpt #: 196 total cpu time spent up to now is 50.5 secs Computing kpt #: 197 total cpu time spent up to now is 50.7 secs Computing kpt #: 198 total cpu time spent up to now is 51.0 secs Computing kpt #: 199 total cpu time spent up to now is 51.2 secs Computing kpt #: 200 total cpu time spent up to now is 51.4 secs Computing kpt #: 201 total cpu time spent up to now is 51.7 secs Computing kpt #: 202 total cpu time spent up to now is 51.9 secs Computing kpt #: 203 total cpu time spent up to now is 52.2 secs Computing kpt #: 204 total cpu time spent up to now is 52.4 secs Computing kpt #: 205 total cpu time spent up to now is 52.7 secs Computing kpt #: 206 total cpu time spent up to now is 52.9 secs Computing kpt #: 207 total cpu time spent up to now is 53.1 secs Computing kpt #: 208 total cpu time spent up to now is 53.4 secs Computing kpt #: 209 total cpu time spent up to now is 53.6 secs Computing kpt #: 210 total cpu time spent up to now is 53.8 secs Computing kpt #: 211 total cpu time spent up to now is 54.1 secs Computing kpt #: 212 total cpu time spent up to now is 54.3 secs Computing kpt #: 213 total cpu time spent up to now is 54.5 secs Computing kpt #: 214 total cpu time spent up to now is 54.8 secs Computing kpt #: 215 total cpu time spent up to now is 55.0 secs Computing kpt #: 216 total cpu time spent up to now is 55.2 secs Computing kpt #: 217 total cpu time spent up to now is 55.5 secs Computing kpt #: 218 total cpu time spent up to now is 55.7 secs Computing kpt #: 219 total cpu time spent up to now is 56.0 secs Computing kpt #: 220 total cpu time spent up to now is 56.2 secs Computing kpt #: 221 total cpu time spent up to now is 56.4 secs Computing kpt #: 222 total cpu time spent up to now is 56.7 secs Computing kpt #: 223 total cpu time spent up to now is 56.9 secs Computing kpt #: 224 total cpu time spent up to now is 57.2 secs Computing kpt #: 225 total cpu time spent up to now is 57.4 secs Computing kpt #: 226 total cpu time spent up to now is 57.6 secs Computing kpt #: 227 total cpu time spent up to now is 57.9 secs Computing kpt #: 228 total cpu time spent up to now is 58.1 secs Computing kpt #: 229 total cpu time spent up to now is 58.3 secs Computing kpt #: 230 total cpu time spent up to now is 58.6 secs Computing kpt #: 231 total cpu time spent up to now is 58.8 secs Computing kpt #: 232 total cpu time spent up to now is 59.0 secs Computing kpt #: 233 total cpu time spent up to now is 59.3 secs Computing kpt #: 234 total cpu time spent up to now is 59.5 secs Computing kpt #: 235 total cpu time spent up to now is 59.7 secs Computing kpt #: 236 total cpu time spent up to now is 60.0 secs Computing kpt #: 237 total cpu time spent up to now is 60.2 secs Computing kpt #: 238 total cpu time spent up to now is 60.4 secs Computing kpt #: 239 total cpu time spent up to now is 60.7 secs Computing kpt #: 240 total cpu time spent up to now is 60.9 secs Computing kpt #: 241 total cpu time spent up to now is 61.2 secs Computing kpt #: 242 total cpu time spent up to now is 61.4 secs Computing kpt #: 243 total cpu time spent up to now is 61.6 secs Computing kpt #: 244 total cpu time spent up to now is 61.9 secs Computing kpt #: 245 total cpu time spent up to now is 62.1 secs Computing kpt #: 246 total cpu time spent up to now is 62.4 secs Computing kpt #: 247 total cpu time spent up to now is 62.6 secs Computing kpt #: 248 total cpu time spent up to now is 62.9 secs Computing kpt #: 249 total cpu time spent up to now is 63.1 secs Computing kpt #: 250 total cpu time spent up to now is 63.4 secs Computing kpt #: 251 total cpu time spent up to now is 63.6 secs Computing kpt #: 252 total cpu time spent up to now is 63.9 secs Computing kpt #: 253 total cpu time spent up to now is 64.1 secs Computing kpt #: 254 total cpu time spent up to now is 64.4 secs Computing kpt #: 255 total cpu time spent up to now is 64.6 secs Computing kpt #: 256 total cpu time spent up to now is 64.8 secs Computing kpt #: 257 total cpu time spent up to now is 65.1 secs Computing kpt #: 258 total cpu time spent up to now is 65.3 secs Computing kpt #: 259 total cpu time spent up to now is 65.6 secs Computing kpt #: 260 total cpu time spent up to now is 65.8 secs Computing kpt #: 261 total cpu time spent up to now is 66.1 secs Computing kpt #: 262 total cpu time spent up to now is 66.3 secs Computing kpt #: 263 total cpu time spent up to now is 66.6 secs Computing kpt #: 264 total cpu time spent up to now is 66.8 secs Computing kpt #: 265 total cpu time spent up to now is 67.1 secs Computing kpt #: 266 total cpu time spent up to now is 67.3 secs Computing kpt #: 267 total cpu time spent up to now is 67.6 secs Computing kpt #: 268 total cpu time spent up to now is 67.8 secs Computing kpt #: 269 total cpu time spent up to now is 68.1 secs Computing kpt #: 270 total cpu time spent up to now is 68.3 secs Computing kpt #: 271 total cpu time spent up to now is 68.6 secs Computing kpt #: 272 total cpu time spent up to now is 68.8 secs Computing kpt #: 273 total cpu time spent up to now is 69.1 secs Computing kpt #: 274 total cpu time spent up to now is 69.3 secs Computing kpt #: 275 total cpu time spent up to now is 69.6 secs Computing kpt #: 276 total cpu time spent up to now is 69.8 secs Computing kpt #: 277 total cpu time spent up to now is 70.1 secs Computing kpt #: 278 total cpu time spent up to now is 70.3 secs Computing kpt #: 279 total cpu time spent up to now is 70.6 secs Computing kpt #: 280 total cpu time spent up to now is 70.8 secs Computing kpt #: 281 total cpu time spent up to now is 71.1 secs Computing kpt #: 282 total cpu time spent up to now is 71.3 secs Computing kpt #: 283 total cpu time spent up to now is 71.6 secs Computing kpt #: 284 total cpu time spent up to now is 71.8 secs Computing kpt #: 285 total cpu time spent up to now is 72.1 secs Computing kpt #: 286 total cpu time spent up to now is 72.3 secs Computing kpt #: 287 total cpu time spent up to now is 72.6 secs Computing kpt #: 288 total cpu time spent up to now is 72.8 secs Computing kpt #: 289 total cpu time spent up to now is 73.1 secs Computing kpt #: 290 total cpu time spent up to now is 73.3 secs Computing kpt #: 291 total cpu time spent up to now is 73.6 secs Computing kpt #: 292 total cpu time spent up to now is 73.8 secs Computing kpt #: 293 total cpu time spent up to now is 74.1 secs Computing kpt #: 294 total cpu time spent up to now is 74.3 secs Computing kpt #: 295 total cpu time spent up to now is 74.6 secs Computing kpt #: 296 total cpu time spent up to now is 74.8 secs Computing kpt #: 297 total cpu time spent up to now is 75.0 secs Computing kpt #: 298 total cpu time spent up to now is 75.3 secs Computing kpt #: 299 total cpu time spent up to now is 75.5 secs Computing kpt #: 300 total cpu time spent up to now is 75.8 secs Computing kpt #: 301 total cpu time spent up to now is 76.0 secs Computing kpt #: 302 total cpu time spent up to now is 76.3 secs Computing kpt #: 303 total cpu time spent up to now is 76.5 secs Computing kpt #: 304 total cpu time spent up to now is 76.8 secs Computing kpt #: 305 total cpu time spent up to now is 77.0 secs Computing kpt #: 306 total cpu time spent up to now is 77.3 secs Computing kpt #: 307 total cpu time spent up to now is 77.5 secs Computing kpt #: 308 total cpu time spent up to now is 77.8 secs Computing kpt #: 309 total cpu time spent up to now is 78.0 secs Computing kpt #: 310 total cpu time spent up to now is 78.3 secs ethr = 4.17E-08, avg # of iterations = 12.7 total cpu time spent up to now is 78.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2279 PWs) bands (ev): -6.1041 -6.1041 -4.5540 -4.5540 -3.4183 -3.4183 -1.5982 -1.5982 2.5328 2.5328 4.1936 4.1936 4.8122 4.8122 5.2700 5.2700 5.6343 5.6343 5.9657 5.9657 9.4095 9.4095 9.5600 9.5600 10.7715 10.7715 11.4759 11.4759 11.5599 11.5599 11.7378 11.7378 k = 0.0000 0.0000 0.0232 ( 2282 PWs) bands (ev): -6.1028 -6.1028 -4.5532 -4.5532 -3.4181 -3.4181 -1.6041 -1.6041 2.5400 2.5400 4.1615 4.1618 4.8314 4.8327 5.2404 5.2422 5.6418 5.6428 6.0055 6.0059 9.4075 9.4076 9.5608 9.5614 10.7704 10.7707 11.4740 11.4743 11.5540 11.5544 11.7380 11.7382 k = 0.0000 0.0000 0.0465 ( 2283 PWs) bands (ev): -6.0989 -6.0989 -4.5509 -4.5509 -3.4175 -3.4175 -1.6216 -1.6216 2.5615 2.5616 4.0790 4.0795 4.8669 4.8696 5.1780 5.1813 5.6694 5.6707 6.1069 6.1075 9.4016 9.4018 9.5641 9.5653 10.7673 10.7680 11.4686 11.4693 11.5372 11.5377 11.7387 11.7390 k = 0.0000 0.0000 0.0697 ( 2284 PWs) bands (ev): -6.0925 -6.0925 -4.5470 -4.5469 -3.4164 -3.4164 -1.6505 -1.6505 2.5970 2.5970 3.9684 3.9690 4.8593 4.8626 5.1437 5.1474 5.7217 5.7229 6.2421 6.2428 9.3917 9.3920 9.5698 9.5715 10.7616 10.7628 11.4601 11.4609 11.5108 11.5115 11.7396 11.7402 k = 0.0000 0.0000 0.0929 ( 2282 PWs) bands (ev): -6.0834 -6.0834 -4.5415 -4.5415 -3.4150 -3.4150 -1.6899 -1.6899 2.6456 2.6457 3.8442 3.8448 4.7763 4.7785 5.1696 5.1722 5.8008 5.8019 6.3950 6.3957 9.3774 9.3779 9.5780 9.5802 10.7525 10.7541 11.4477 11.4487 11.4783 11.4791 11.7408 11.7415 k = 0.0000 0.0000 0.1162 ( 2286 PWs) bands (ev): -6.0718 -6.0718 -4.5345 -4.5345 -3.4132 -3.4132 -1.7392 -1.7392 2.7064 2.7066 3.7140 3.7146 4.6544 4.6558 5.2179 5.2197 5.9063 5.9074 6.5577 6.5586 9.3586 9.3594 9.5888 9.5914 10.7384 10.7405 11.4241 11.4250 11.4508 11.4514 11.7421 11.7430 k = 0.0000 0.0000 0.1394 ( 2290 PWs) bands (ev): -6.0577 -6.0577 -4.5261 -4.5260 -3.4111 -3.4111 -1.7973 -1.7973 2.7785 2.7787 3.5818 3.5824 4.5192 4.5202 5.2658 5.2672 6.0349 6.0360 6.7264 6.7274 9.3351 9.3363 9.6023 9.6053 10.7173 10.7199 11.3856 11.3867 11.4359 11.4368 11.7433 11.7444 k = 0.0000 0.0000 0.1627 ( 2295 PWs) bands (ev): -6.0409 -6.0409 -4.5162 -4.5162 -3.4087 -3.4087 -1.8633 -1.8633 2.8603 2.8606 3.4501 3.4508 4.3799 4.3807 5.3092 5.3103 6.1817 6.1828 6.8989 6.9000 9.3069 9.3085 9.6183 9.6218 10.6868 10.6900 11.3453 11.3465 11.4259 11.4269 11.7445 11.7457 k = 0.0000 0.0000 0.1859 ( 2297 PWs) bands (ev): -6.0217 -6.0217 -4.5050 -4.5049 -3.4062 -3.4062 -1.9361 -1.9361 2.9500 2.9506 3.3207 3.3216 4.2401 4.2408 5.3488 5.3498 6.3420 6.3431 7.0734 7.0748 9.2741 9.2762 9.6370 9.6410 10.6443 10.6481 11.3091 11.3104 11.4197 11.4206 11.7456 11.7469 k = 0.0000 0.0000 0.2091 ( 2299 PWs) bands (ev): -5.9998 -5.9998 -4.4924 -4.4924 -3.4035 -3.4035 -2.0147 -2.0147 3.0421 3.0436 3.1980 3.2000 4.1022 4.1029 5.3864 5.3873 6.5122 6.5134 7.2487 7.2504 9.2370 9.2397 9.6583 9.6628 10.5883 10.5928 11.2799 11.2814 11.4183 11.4192 11.7465 11.7480 k = 0.0000 0.0000 0.2324 ( 2297 PWs) bands (ev): -5.9755 -5.9755 -4.4787 -4.4787 -3.4008 -3.4008 -2.0982 -2.0982 3.0490 3.0510 3.1694 3.1719 3.9683 3.9689 5.4232 5.4240 6.6898 6.6910 7.4234 7.4255 9.1964 9.1998 9.6820 9.6874 10.5183 10.5236 11.2586 11.2604 11.4233 11.4241 11.7474 11.7489 k = 0.0000 0.0000 0.2556 ( 2303 PWs) bands (ev): -5.9486 -5.9486 -4.4639 -4.4639 -3.3981 -3.3981 -2.1857 -2.1857 2.9377 2.9384 3.2658 3.2670 3.8419 3.8426 5.4603 5.4611 6.8725 6.8739 7.5959 7.5985 9.1535 9.1578 9.7081 9.7147 10.4356 10.4419 11.2442 11.2464 11.4361 11.4369 11.7481 11.7498 k = 0.0000 0.0000 0.2788 ( 2299 PWs) bands (ev): -5.9192 -5.9192 -4.4482 -4.4481 -3.3956 -3.3956 -2.2763 -2.2762 2.8226 2.8230 3.3589 3.3600 3.7338 3.7348 5.4984 5.4991 7.0591 7.0605 7.7636 7.7669 9.1105 9.1157 9.7364 9.7446 10.3422 10.3501 11.2350 11.2377 11.4581 11.4587 11.7489 11.7506 k = 0.0000 0.0000 0.3021 ( 2293 PWs) bands (ev): -5.8873 -5.8873 -4.4316 -4.4316 -3.3933 -3.3933 -2.3691 -2.3691 2.7109 2.7111 3.4020 3.4031 3.6848 3.6859 5.5378 5.5384 7.2480 7.2495 7.9232 7.9273 9.0708 9.0772 9.7660 9.7771 10.2409 10.2514 11.2293 11.2326 11.4897 11.4903 11.7497 11.7515 k = 0.0000 0.0000 0.3253 ( 2293 PWs) bands (ev): -5.8530 -5.8530 -4.4144 -4.4144 -3.3914 -3.3914 -2.4636 -2.4636 2.6037 2.6038 3.3484 3.3491 3.7406 3.7414 5.5788 5.5794 7.4378 7.4395 8.0686 8.0739 9.0403 9.0480 9.7948 9.8112 10.1348 10.1502 11.2257 11.2297 11.5310 11.5316 11.7508 11.7529 k = 0.0000 0.0000 0.3486 ( 2291 PWs) bands (ev): -5.8162 -5.8162 -4.3968 -4.3968 -3.3899 -3.3899 -2.5589 -2.5589 2.5014 2.5015 3.2478 3.2482 3.8504 3.8509 5.6217 5.6222 7.6268 7.6287 8.1910 8.1976 9.0285 9.0376 9.8156 9.8433 10.0301 10.0563 11.2234 11.2283 11.5807 11.5816 11.7532 11.7555 k = 0.0000 0.0000 0.3718 ( 2291 PWs) bands (ev): -5.7769 -5.7769 -4.3791 -4.3790 -3.3890 -3.3889 -2.6545 -2.6545 2.4044 2.4044 3.1365 3.1368 3.9773 3.9776 5.6665 5.6670 7.8120 7.8143 8.2797 8.2871 9.0478 9.0578 9.8029 9.8440 9.9586 9.9976 11.2220 11.2278 11.6361 11.6371 11.7593 11.7619 k = 0.0000 0.0000 0.3950 ( 2294 PWs) bands (ev): -5.7353 -5.7353 -4.3615 -4.3615 -3.3887 -3.3887 -2.7496 -2.7496 2.3129 2.3130 3.0241 3.0242 4.1114 4.1117 5.7132 5.7137 7.9867 7.9895 8.3309 8.3381 9.1066 9.1164 9.7331 9.7630 9.9738 10.0006 11.2211 11.2280 11.6868 11.6879 11.7789 11.7820 k = 0.0000 0.0000 0.4183 ( 2292 PWs) bands (ev): -5.6913 -5.6913 -4.3445 -4.3445 -3.3892 -3.3892 -2.8435 -2.8435 2.2273 2.2273 2.9133 2.9134 4.2495 4.2497 5.7619 5.7623 8.1288 8.1326 8.3670 8.3730 9.2001 9.2086 9.6375 9.6597 10.0209 10.0385 11.2203 11.2286 11.7135 11.7148 11.8308 11.8343 k = 0.0000 0.0000 0.4415 ( 2294 PWs) bands (ev): -5.6450 -5.6450 -4.3286 -4.3285 -3.3907 -3.3906 -2.9356 -2.9355 2.1476 2.1477 2.8055 2.8056 4.3900 4.3902 5.8124 5.8129 8.1842 8.1888 8.4486 8.4537 9.3118 9.3182 9.5450 9.5651 10.0787 10.0916 11.2194 11.2293 11.7214 11.7231 11.9089 11.9134 k = 0.0000 0.0000 0.4647 ( 2294 PWs) bands (ev): -5.5963 -5.5963 -4.3143 -4.3143 -3.3931 -3.3930 -3.0249 -3.0249 2.0742 2.0742 2.7013 2.7013 4.5319 4.5321 5.8646 5.8651 8.1602 8.1645 8.5696 8.5756 9.3926 9.4019 9.5052 9.5249 10.1450 10.1552 11.2181 11.2300 11.7229 11.7250 11.9983 12.0062 k = 0.0000 0.0000 0.4880 ( 2292 PWs) bands (ev): -5.5455 -5.5455 -4.3025 -4.3025 -3.3966 -3.3965 -3.1107 -3.1107 2.0072 2.0072 2.6010 2.6010 4.6744 4.6746 5.9184 5.9189 8.1054 8.1090 8.6703 8.6775 9.3787 9.3927 9.5992 9.6110 10.2202 10.2284 11.2160 11.2303 11.7220 11.7246 12.0705 12.0908 k = 0.0000 0.0000 0.5112 ( 2290 PWs) bands (ev): -5.4924 -5.4924 -4.2941 -4.2940 -3.4012 -3.4011 -3.1919 -3.1918 1.9467 1.9467 2.5050 2.5050 4.8170 4.8172 5.9734 5.9739 8.0379 8.0410 8.7114 8.7187 9.3948 9.4098 9.7192 9.7276 10.3046 10.3115 11.2127 11.2301 11.7200 11.7230 12.0411 12.0432 k = 0.0000 0.0000 0.5345 ( 2294 PWs) bands (ev): -5.4372 -5.4372 -4.2901 -4.2901 -3.4070 -3.4069 -3.2672 -3.2671 1.8929 1.8929 2.4135 2.4135 4.9589 4.9591 6.0292 6.0298 7.9645 7.9671 8.6834 8.6894 9.4734 9.4877 9.8352 9.8419 10.3976 10.4040 11.2080 11.2291 11.7172 11.7208 11.9872 11.9946 k = 0.0000 0.0000 0.5577 ( 2293 PWs) bands (ev): -5.3800 -5.3799 -4.2919 -4.2919 -3.4141 -3.4139 -3.3354 -3.3351 1.8459 1.8459 2.3268 2.3268 5.0997 5.0999 6.0852 6.0859 7.8887 7.8911 8.6084 8.6128 9.5912 9.6049 9.9437 9.9496 10.4973 10.5044 11.2017 11.2275 11.7139 11.7183 11.9367 11.9480 k = 0.0000 0.0000 0.5809 ( 2301 PWs) bands (ev): -5.3207 -5.3207 -4.3008 -4.3008 -3.4228 -3.4221 -3.3950 -3.3944 1.8058 1.8058 2.2449 2.2450 5.2385 5.2388 6.1406 6.1413 7.8130 7.8153 8.5095 8.5127 9.7223 9.7361 10.0449 10.0517 10.6002 10.6091 11.1939 11.2255 11.7103 11.7156 11.8909 11.9059 k = 0.0000 0.0000 0.6042 ( 2296 PWs) bands (ev): -5.2596 -5.2596 -4.3180 -4.3179 -3.4463 -3.4452 -3.4313 -3.4302 1.7727 1.7727 2.1683 2.1683 5.3748 5.3751 6.1941 6.1949 7.7399 7.7420 8.3994 8.4020 9.8513 9.8659 10.1411 10.1500 10.7020 10.7137 11.1853 11.2240 11.7065 11.7130 11.8504 11.8693 k = 0.0000 0.0000 0.6274 ( 2300 PWs) bands (ev): -5.1968 -5.1968 -4.3442 -4.3441 -3.4850 -3.4847 -3.4419 -3.4415 1.7466 1.7466 2.0969 2.0969 5.5078 5.5082 6.2440 6.2450 7.6716 7.6737 8.2849 8.2870 9.9696 9.9854 10.2337 10.2453 10.7984 10.8136 11.1775 11.2243 11.7028 11.7108 11.8158 11.8385 k = 0.0000 0.0000 0.6506 ( 2302 PWs) bands (ev): -5.1324 -5.1323 -4.3796 -4.3795 -3.5139 -3.5137 -3.4534 -3.4532 1.7276 1.7277 2.0310 2.0310 5.6366 5.6370 6.2880 6.2891 7.6111 7.6133 8.1695 8.1714 10.0736 10.0903 10.3211 10.3354 10.8857 10.9043 11.1727 11.2282 11.6994 11.7092 11.7872 11.8136 k = 0.0000 0.0000 0.6739 ( 2300 PWs) bands (ev): -5.0665 -5.0665 -4.4235 -4.4235 -3.5330 -3.5328 -3.4657 -3.4655 1.7157 1.7157 1.9708 1.9708 5.7601 5.7606 6.3229 6.3241 7.5618 7.5640 8.0561 8.0578 10.1635 10.1807 10.3974 10.4144 10.9619 10.9827 11.1738 11.2366 11.6966 11.7085 11.7647 11.7940 k = 0.0000 0.0000 0.6971 ( 2300 PWs) bands (ev): -4.9995 -4.9994 -4.4749 -4.4748 -3.5435 -3.5434 -3.4786 -3.4785 1.7109 1.7109 1.9164 1.9164 5.8771 5.8777 6.3448 6.3462 7.5276 7.5299 7.9467 7.9484 10.2415 10.2591 10.4553 10.4747 11.0276 11.0480 11.1822 11.2480 11.6948 11.7086 11.7480 11.7789 k = 0.0000 0.0000 0.7204 ( 2298 PWs) bands (ev): -4.9315 -4.9315 -4.5322 -4.5322 -3.5469 -3.5467 -3.4918 -3.4917 1.7130 1.7130 1.8681 1.8681 5.9861 5.9869 6.3500 6.3514 7.5123 7.5147 7.8435 7.8453 10.3096 10.3276 10.4895 10.5106 11.0839 11.1033 11.1949 11.2581 11.6943 11.7091 11.7371 11.7670 k = 0.0000 0.0000 0.7436 ( 2298 PWs) bands (ev): -4.8630 -4.8630 -4.5940 -4.5940 -3.5446 -3.5445 -3.5049 -3.5048 1.7221 1.7221 1.8259 1.8259 6.0853 6.0863 6.3354 6.3369 7.5189 7.5212 7.7491 7.7510 10.3688 10.3874 10.4996 10.5214 11.1306 11.1532 11.2047 11.2611 11.6952 11.7082 11.7328 11.7571 k = 0.0000 0.0000 0.7668 ( 2304 PWs) bands (ev): -4.7943 -4.7943 -4.6590 -4.6590 -3.5383 -3.5382 -3.5175 -3.5174 1.7381 1.7381 1.7901 1.7901 6.1725 6.1736 6.3001 6.3015 7.5479 7.5502 7.6661 7.6682 10.4191 10.4381 10.4892 10.5103 11.1672 11.1969 11.2051 11.2528 11.6975 11.7049 11.7349 11.7484 k = 0.0000 0.0000 0.7901 ( 2304 PWs) bands (ev): -4.7271 -4.7271 -4.7251 -4.7251 -3.5298 -3.5298 -3.5279 -3.5279 1.7607 1.7607 1.7608 1.7608 6.2449 6.2449 6.2464 6.2464 7.5979 7.5979 7.6002 7.6002 10.4573 10.4573 10.4839 10.4839 11.1924 11.1924 11.2312 11.2312 11.7010 11.7010 11.7408 11.7408 k = 0.0000 0.0000 0.7901 ( 2304 PWs) bands (ev): -4.7271 -4.7271 -4.7251 -4.7251 -3.5298 -3.5298 -3.5279 -3.5279 1.7607 1.7607 1.7608 1.7608 6.2449 6.2449 6.2464 6.2464 7.5979 7.5979 7.6002 7.6002 10.4573 10.4573 10.4839 10.4839 11.1924 11.1924 11.2312 11.2312 11.7010 11.7010 11.7408 11.7408 k = 0.0000 0.0235 0.7901 ( 2302 PWs) bands (ev): -4.7258 -4.7257 -4.7239 -4.7238 -3.5290 -3.5288 -3.5263 -3.5261 1.7613 1.7613 1.7629 1.7629 6.2437 6.2449 6.2477 6.2488 7.5982 7.5984 7.6020 7.6023 10.4134 10.4175 10.4988 10.5042 11.1675 11.1796 11.2355 11.2467 11.6802 11.6907 11.7257 11.7358 k = 0.0000 0.0470 0.7901 ( 2302 PWs) bands (ev): -4.7220 -4.7217 -4.7201 -4.7198 -3.5260 -3.5258 -3.5218 -3.5216 1.7645 1.7646 1.7678 1.7678 6.2437 6.2449 6.2514 6.2526 7.6003 7.6005 7.6070 7.6073 10.3385 10.3421 10.5000 10.5062 11.1321 11.1471 11.2422 11.2557 11.6318 11.6473 11.6949 11.7094 k = 0.0000 0.0705 0.7901 ( 2296 PWs) bands (ev): -4.7156 -4.7152 -4.7137 -4.7133 -3.5206 -3.5204 -3.5146 -3.5144 1.7705 1.7705 1.7753 1.7754 6.2449 6.2461 6.2564 6.2575 7.6047 7.6048 7.6144 7.6148 10.2405 10.2439 10.4731 10.4798 11.0967 11.1143 11.2335 11.2494 11.5583 11.5751 11.6508 11.6653 k = 0.0000 0.0940 0.7901 ( 2294 PWs) bands (ev): -4.7066 -4.7061 -4.7047 -4.7041 -3.5127 -3.5125 -3.5049 -3.5047 1.7791 1.7791 1.7856 1.7856 6.2472 6.2484 6.2626 6.2637 7.6112 7.6113 7.6243 7.6248 10.1212 10.1242 10.4160 10.4230 11.0645 11.0858 11.2032 11.2236 11.4630 11.4803 11.5990 11.6115 k = 0.0000 0.1176 0.7901 ( 2297 PWs) bands (ev): -4.6951 -4.6944 -4.6931 -4.6924 -3.5024 -3.5022 -3.4927 -3.4925 1.7904 1.7904 1.7986 1.7986 6.2506 6.2519 6.2699 6.2711 7.6199 7.6199 7.6366 7.6372 9.9821 9.9848 10.3297 10.3366 11.0305 11.0579 11.1466 11.1747 11.3522 11.3710 11.5489 11.5585 k = 0.0000 0.1411 0.7901 ( 2298 PWs) bands (ev): -4.6810 -4.6801 -4.6790 -4.6781 -3.4896 -3.4894 -3.4780 -3.4777 1.8043 1.8044 1.8142 1.8143 6.2551 6.2565 6.2783 6.2795 7.6306 7.6307 7.6512 7.6519 9.8256 9.8280 10.2173 10.2239 10.9774 11.0095 11.0665 11.1000 11.2434 11.2647 11.5089 11.5156 k = 0.0000 0.1646 0.7901 ( 2301 PWs) bands (ev): -4.6643 -4.6633 -4.6622 -4.6613 -3.4743 -3.4741 -3.4607 -3.4605 1.8209 1.8210 1.8326 1.8327 6.2606 6.2620 6.2878 6.2891 7.6432 7.6434 7.6682 7.6691 9.6542 9.6564 10.0830 10.0891 10.8834 10.9073 10.9634 10.9855 11.1771 11.1953 11.4812 11.4858 k = 0.0000 0.1881 0.7901 ( 2293 PWs) bands (ev): -4.6451 -4.6440 -4.6430 -4.6419 -3.4567 -3.4564 -3.4410 -3.4408 1.8401 1.8402 1.8536 1.8537 6.2670 6.2685 6.2982 6.2995 7.6575 7.6579 7.6876 7.6886 9.4705 9.4726 9.9307 9.9363 10.7500 10.7658 10.8210 10.8322 11.1582 11.1706 11.4640 11.4673 k = 0.0000 0.2116 0.7901 ( 2293 PWs) bands (ev): -4.6233 -4.6221 -4.6212 -4.6199 -3.4365 -3.4363 -3.4188 -3.4186 1.8619 1.8621 1.8773 1.8774 6.2742 6.2758 6.3095 6.3108 7.6733 7.6739 7.7092 7.7105 9.2771 9.2789 9.7639 9.7689 10.5902 10.6025 10.6528 10.6593 11.1597 11.1684 11.4548 11.4574 k = 0.0000 0.2351 0.7901 ( 2292 PWs) bands (ev): -4.5990 -4.5977 -4.5968 -4.5954 -3.4140 -3.4138 -3.3942 -3.3940 1.8863 1.8865 1.9037 1.9038 6.2821 6.2837 6.3215 6.3229 7.6903 7.6911 7.7330 7.7346 9.0759 9.0775 9.5854 9.5898 10.4131 10.4242 10.4704 10.4763 11.1698 11.1763 11.4516 11.4539 k = 0.0000 0.2586 0.7901 ( 2290 PWs) bands (ev): -4.5723 -4.5708 -4.5700 -4.5685 -3.3891 -3.3889 -3.3671 -3.3669 1.9133 1.9135 1.9327 1.9328 6.2904 6.2922 6.3340 6.3356 7.7079 7.7090 7.7589 7.7609 8.8689 8.8703 9.3978 9.4017 10.2241 10.2346 10.2802 10.2868 11.1845 11.1896 11.4532 11.4553 k = 0.0000 0.2821 0.7901 ( 2292 PWs) bands (ev): -4.5430 -4.5414 -4.5406 -4.5390 -3.3619 -3.3617 -3.3377 -3.3374 1.9428 1.9430 1.9643 1.9645 6.2991 6.3010 6.3470 6.3487 7.7255 7.7271 7.7867 7.7894 8.6578 8.6590 9.2031 9.2065 10.0267 10.0365 10.0863 10.0931 11.2018 11.2061 11.4587 11.4607 k = 0.0000 0.3056 0.7901 ( 2290 PWs) bands (ev): -4.5113 -4.5096 -4.5088 -4.5071 -3.3324 -3.3322 -3.3058 -3.3055 1.9748 1.9751 1.9985 1.9988 6.3079 6.3099 6.3602 6.3620 7.7419 7.7443 7.8161 7.8198 8.4440 8.4452 9.0032 9.0063 9.8235 9.8323 9.8910 9.8976 11.2211 11.2247 11.4676 11.4694 k = 0.0000 0.3291 0.7901 ( 2291 PWs) bands (ev): -4.4772 -4.4754 -4.4745 -4.4727 -3.3006 -3.3004 -3.2716 -3.2713 2.0092 2.0096 2.0353 2.0356 6.3165 6.3188 6.3734 6.3753 7.7554 7.7592 7.8459 7.8519 8.2294 8.2311 8.7997 8.8029 9.6166 9.6242 9.6966 9.7027 11.2416 11.2447 11.4793 11.4810 k = 0.0000 0.3527 0.7901 ( 2294 PWs) bands (ev): -4.4406 -4.4387 -4.4379 -4.4360 -3.2666 -3.2663 -3.2350 -3.2347 2.0461 2.0465 2.0747 2.0750 6.3247 6.3272 6.3862 6.3884 7.7611 7.7686 7.8694 7.8846 8.0180 8.0253 8.5942 8.5980 9.4076 9.4141 9.5056 9.5110 11.2630 11.2657 11.4933 11.4950 k = 0.0000 0.3762 0.7901 ( 2300 PWs) bands (ev): -4.4017 -4.3998 -4.3988 -4.3968 -3.2304 -3.2301 -3.1962 -3.1959 2.0853 2.0858 2.1166 2.1170 6.3321 6.3349 6.3983 6.4009 7.7275 7.7451 7.8023 7.8346 7.9211 7.9368 8.3886 8.3943 9.1983 9.2040 9.3213 9.3261 11.2850 11.2874 11.5095 11.5111 k = 0.0000 0.3997 0.7901 ( 2298 PWs) bands (ev): -4.3605 -4.3585 -4.3574 -4.3553 -3.1920 -3.1918 -3.1551 -3.1548 2.1269 2.1274 2.1610 2.1614 6.3382 6.3414 6.4092 6.4123 7.5548 7.5592 7.7720 7.7816 7.9498 7.9622 8.1861 8.1977 8.9905 8.9957 9.1482 9.1524 11.3073 11.3095 11.5274 11.5289 k = 0.0000 0.4232 0.7901 ( 2294 PWs) bands (ev): -4.3170 -4.3149 -4.3136 -4.3115 -3.1516 -3.1513 -3.1118 -3.1115 2.1706 2.1712 2.2078 2.2083 6.3425 6.3460 6.4182 6.4220 7.3448 7.3478 7.7349 7.7411 7.9450 7.9861 8.0018 8.0456 8.7872 8.7925 8.9924 8.9959 11.3297 11.3316 11.5467 11.5481 k = 0.0000 0.4467 0.7901 ( 2292 PWs) bands (ev): -4.2713 -4.2691 -4.2677 -4.2655 -3.1091 -3.1089 -3.0663 -3.0660 2.2166 2.2173 2.2571 2.2577 6.3440 6.3481 6.4242 6.4293 7.1329 7.1364 7.6428 7.6521 7.8306 7.8344 8.0207 8.0322 8.5944 8.6004 8.8610 8.8639 11.3518 11.3535 11.5672 11.5685 k = 0.0000 0.4702 0.7901 ( 2288 PWs) bands (ev): -4.2233 -4.2211 -4.2195 -4.2172 -3.0648 -3.0645 -3.0188 -3.0185 2.2646 2.2654 2.3087 2.3094 6.3414 6.3464 6.4251 6.4327 6.9236 6.9290 7.4834 7.4953 7.7195 7.7244 8.0247 8.0312 8.4284 8.4358 8.7612 8.7635 11.3735 11.3749 11.5886 11.5898 k = 0.0000 0.4937 0.7901 ( 2291 PWs) bands (ev): -4.1733 -4.1710 -4.1691 -4.1668 -3.0186 -3.0183 -2.9692 -2.9689 2.3146 2.3155 2.3626 2.3635 6.3322 6.3385 6.4157 6.4292 6.7212 6.7312 7.2964 7.3100 7.6080 7.6151 7.9694 7.9739 8.3289 8.3365 8.6962 8.6980 11.3943 11.3956 11.6106 11.6117 k = 0.0000 0.5172 0.7901 ( 2287 PWs) bands (ev): -4.1211 -4.1188 -4.1167 -4.1143 -2.9706 -2.9703 -2.9177 -2.9174 2.3665 2.3675 2.4188 2.4198 6.3070 6.3171 6.3789 6.4078 6.5428 6.5642 7.1050 7.1216 7.4794 7.4879 7.8397 7.8419 8.3130 8.3190 8.6638 8.6652 11.4140 11.4152 11.6329 11.6338 k = 0.0000 0.5407 0.7901 ( 2285 PWs) bands (ev): -4.0670 -4.0646 -4.0622 -4.0598 -2.9209 -2.9206 -2.8642 -2.8640 2.4201 2.4212 2.4772 2.4782 6.2161 6.2287 6.3175 6.3495 6.4502 6.4734 6.9185 6.9398 7.3353 7.3452 7.6756 7.6776 8.3401 8.3446 8.6579 8.6590 11.4324 11.4334 11.6552 11.6560 k = 0.0000 0.5643 0.7901 ( 2288 PWs) bands (ev): -4.0110 -4.0086 -4.0057 -4.0033 -2.8697 -2.8694 -2.8090 -2.8088 2.4753 2.4766 2.5376 2.5388 6.0458 6.0553 6.2691 6.2995 6.4065 6.4224 6.7456 6.7732 7.1833 7.1947 7.5059 7.5092 8.3838 8.3873 8.6717 8.6727 11.4489 11.4500 11.6771 11.6778 k = 0.0000 0.5878 0.7901 ( 2286 PWs) bands (ev): -3.9532 -3.9507 -3.9474 -3.9450 -2.8170 -2.8167 -2.7522 -2.7519 2.5318 2.5333 2.6000 2.6014 5.8581 5.8658 6.1982 6.2363 6.3511 6.3631 6.5988 6.6308 7.0327 7.0458 7.3433 7.3481 8.4355 8.4384 8.7000 8.7009 11.4633 11.4645 11.6984 11.6990 k = 0.0000 0.6113 0.7901 ( 2287 PWs) bands (ev): -3.8936 -3.8911 -3.8873 -3.8849 -2.7630 -2.7627 -2.6937 -2.6934 2.5894 2.5911 2.6642 2.6658 5.6692 5.6760 6.0905 6.1330 6.2747 6.2897 6.4817 6.5112 6.8958 6.9100 7.1952 7.2012 8.4921 8.4945 8.7388 8.7398 11.4753 11.4768 11.7187 11.7192 k = 0.0000 0.6348 0.7901 ( 2282 PWs) bands (ev): -3.8325 -3.8300 -3.8255 -3.8231 -2.7079 -2.7076 -2.6338 -2.6335 2.6478 2.6497 2.7301 2.7320 5.4830 5.4893 5.9498 5.9890 6.1862 6.2024 6.3698 6.3929 6.7854 6.7992 7.0669 7.0737 8.5522 8.5544 8.7855 8.7867 11.4844 11.4863 11.7375 11.7381 k = 0.0000 0.6583 0.7901 ( 2280 PWs) bands (ev): -3.7698 -3.7674 -3.7622 -3.7597 -2.6518 -2.6515 -2.5726 -2.5723 2.7067 2.7089 2.7975 2.7996 5.3012 5.3073 5.7907 5.8251 6.0829 6.0978 6.2408 6.2574 6.7062 6.7180 6.9611 6.9682 8.6152 8.6172 8.8385 8.8400 11.4904 11.4927 11.7545 11.7553 k = 0.0000 0.6818 0.7901 ( 2282 PWs) bands (ev): -3.7059 -3.7034 -3.6974 -3.6949 -2.5948 -2.5945 -2.5102 -2.5099 2.7655 2.7680 2.8660 2.8685 5.1249 5.1311 5.6244 5.6553 5.9620 5.9747 6.0933 6.1050 6.6501 6.6596 6.8770 6.8838 8.6806 8.6825 8.8965 8.8982 11.4930 11.4958 11.7693 11.7704 k = 0.0000 0.7053 0.7901 ( 2282 PWs) bands (ev): -3.6408 -3.6383 -3.6313 -3.6289 -2.5373 -2.5370 -2.4469 -2.4465 2.8236 2.8265 2.9353 2.9383 4.9552 4.9616 5.4570 5.4857 5.8253 5.8356 5.9345 5.9436 6.6063 6.6140 6.8104 6.8166 8.7481 8.7502 8.9585 8.9607 11.4918 11.4951 11.7816 11.7830 k = 0.0000 0.7288 0.7901 ( 2284 PWs) bands (ev): -3.5747 -3.5723 -3.5641 -3.5617 -2.4793 -2.4790 -2.3827 -2.3824 2.8802 2.8836 3.0049 3.0085 4.7931 4.7999 5.2917 5.3193 5.6772 5.6851 5.7706 5.7796 6.5676 6.5740 6.7558 6.7611 8.8177 8.8199 9.0241 9.0267 11.4866 11.4906 11.7909 11.7928 k = 0.0000 0.7523 0.7901 ( 2284 PWs) bands (ev): -3.5078 -3.5055 -3.4959 -3.4935 -2.4212 -2.4209 -2.3180 -2.3177 2.9343 2.9382 3.0742 3.0784 4.6399 4.6474 5.1304 5.1577 5.5217 5.5275 5.6061 5.6168 6.5302 6.5356 6.7082 6.7126 8.8890 8.8915 9.0927 9.0957 11.4772 11.4818 11.7968 11.7992 k = 0.0000 0.7758 0.7901 ( 2289 PWs) bands (ev): -3.4404 -3.4381 -3.4269 -3.4246 -2.3632 -2.3629 -2.2530 -2.2527 2.9845 2.9890 3.1419 3.1470 4.4973 4.5058 4.9746 5.0024 5.3622 5.3668 5.4445 5.4576 6.4918 6.4965 6.6637 6.6675 8.9620 8.9648 9.1638 9.1674 11.4634 11.4688 11.7991 11.8020 k = 0.0000 0.7994 0.7901 ( 2288 PWs) bands (ev): -3.3728 -3.3705 -3.3574 -3.3551 -2.3056 -2.3052 -2.1879 -2.1876 3.0290 3.0341 3.2067 3.2128 4.3674 4.3775 4.8253 4.8541 5.2011 5.2057 5.2884 5.3041 6.4510 6.4553 6.6198 6.6230 9.0364 9.0397 9.2372 9.2415 11.4452 11.4513 11.7972 11.8008 k = 0.0000 0.8229 0.7901 ( 2296 PWs) bands (ev): -3.3052 -3.3030 -3.2875 -3.2853 -2.2486 -2.2483 -2.1231 -2.1228 3.0656 3.0713 3.2662 3.2735 4.2535 4.2657 4.6834 4.7137 5.0406 5.0461 5.1404 5.1583 6.4072 6.4112 6.5747 6.5774 9.1122 9.1161 9.3125 9.3176 11.4226 11.4294 11.7910 11.7953 k = 0.0000 0.8464 0.7901 ( 2298 PWs) bands (ev): -3.2379 -3.2358 -3.2176 -3.2155 -2.1927 -2.1923 -2.0588 -2.0585 3.0915 3.0978 3.3169 3.3257 4.1597 4.1746 4.5494 4.5816 4.8825 4.8893 5.0035 5.0232 6.3597 6.3636 6.5271 6.5295 9.1892 9.1936 9.3895 9.3954 11.3955 11.4031 11.7802 11.7852 k = 0.0000 0.8699 0.7901 ( 2298 PWs) bands (ev): -3.1714 -3.1694 -3.1480 -3.1459 -2.1380 -2.1376 -1.9955 -1.9951 3.1041 3.1106 3.3546 3.3646 4.0908 4.1092 4.4233 4.4575 4.7284 4.7370 4.8815 4.9024 6.3084 6.3121 6.4763 6.4785 9.2670 9.2723 9.4678 9.4748 11.3641 11.3726 11.7645 11.7703 k = 0.0000 0.8934 0.7901 ( 2297 PWs) bands (ev): -3.1062 -3.1043 -3.0789 -3.0770 -2.0850 -2.0846 -1.9334 -1.9331 3.1013 3.1076 3.3747 3.3851 4.0508 4.0731 4.3046 4.3403 4.5796 4.5910 4.7790 4.8001 6.2530 6.2567 6.4219 6.4240 9.3456 9.3518 9.5471 9.5554 11.3286 11.3379 11.7438 11.7504 k = 0.0000 0.9169 0.7901 ( 2301 PWs) bands (ev): -3.0426 -3.0408 -3.0108 -3.0089 -2.0339 -2.0336 -1.8731 -1.8728 3.0829 3.0887 3.3747 3.3844 4.0386 4.0650 4.1919 4.2286 4.4385 4.4546 4.7010 4.7208 6.1934 6.1973 6.3636 6.3656 9.4247 9.4320 9.6272 9.6370 11.2891 11.2994 11.7180 11.7254 k = 0.0000 0.9404 0.7901 ( 2291 PWs) bands (ev): -2.9812 -2.9795 -2.9440 -2.9422 -1.9852 -1.9848 -1.8150 -1.8146 3.0512 3.0562 3.3557 3.3638 4.0405 4.0621 4.0910 4.1278 4.3119 4.3369 4.6505 4.6680 6.1299 6.1339 6.3013 6.3034 9.5039 9.5125 9.7075 9.7193 11.2459 11.2573 11.6871 11.6953 k = 0.0000 0.9639 0.7901 ( 2295 PWs) bands (ev): -2.9227 -2.9211 -2.8790 -2.8773 -1.9390 -1.9386 -1.7595 -1.7591 3.0102 3.0144 3.3215 3.3282 3.9713 3.9939 4.0372 4.0821 4.2343 4.2655 4.6279 4.6424 6.0624 6.0667 6.2351 6.2373 9.5827 9.5930 9.7878 9.8019 11.1995 11.2122 11.6511 11.6602 k = 0.0000 0.9874 0.7901 ( 2297 PWs) bands (ev): -2.8676 -2.8662 -2.8162 -2.8147 -1.8957 -1.8953 -1.7072 -1.7068 2.9647 2.9681 3.2770 3.2828 3.8682 3.8928 3.9667 3.9965 4.2532 4.2709 4.6303 4.6420 5.9914 5.9959 6.1652 6.1676 9.6608 9.6730 9.8673 9.8845 11.1503 11.1648 11.6103 11.6203 k = 0.0000 1.0110 0.7901 ( 2297 PWs) bands (ev): -2.8168 -2.8154 -2.7562 -2.7547 -1.8555 -1.8551 -1.6585 -1.6582 2.9188 2.9215 3.2266 3.2323 3.7682 3.7913 3.8699 3.8894 4.3144 4.3234 4.6535 4.6629 5.9170 5.9219 6.0918 6.0944 9.7373 9.7520 9.9455 9.9666 11.0993 11.1160 11.5650 11.5760 k = 0.0000 1.0345 0.7901 ( 2295 PWs) bands (ev): -2.7709 -2.7696 -2.6995 -2.6981 -1.8186 -1.8181 -1.6141 -1.6137 2.8758 2.8779 3.1745 3.1804 3.6732 3.6946 3.7705 3.7850 4.3893 4.3948 4.6928 4.7007 5.8396 5.8451 6.0153 6.0181 9.8114 9.8292 10.0215 10.0476 11.0473 11.0671 11.5154 11.5276 k = 0.0000 1.0580 0.7901 ( 2295 PWs) bands (ev): -2.7307 -2.7296 -2.6466 -2.6454 -1.7850 -1.7846 -1.5742 -1.5738 2.8377 2.8394 3.1235 3.1297 3.5849 3.6048 3.6770 3.6887 4.4710 4.4750 4.7444 4.7514 5.7598 5.7659 5.9360 5.9391 9.8818 9.9033 10.0943 10.1268 10.9958 11.0198 11.4622 11.4759 k = 0.0000 1.0815 0.7901 ( 2293 PWs) bands (ev): -2.6970 -2.6960 -2.5982 -2.5971 -1.7550 -1.7545 -1.5395 -1.5391 2.8061 2.8074 3.0759 3.0824 3.5050 3.5235 3.5929 3.6029 4.5566 4.5600 4.8047 4.8115 5.6781 5.6851 5.8545 5.8579 9.9467 9.9725 10.1626 10.2034 10.9468 10.9767 11.4061 11.4218 k = 0.0000 1.1050 0.7901 ( 2293 PWs) bands (ev): -2.6704 -2.6695 -2.5548 -2.5538 -1.7285 -1.7280 -1.5103 -1.5099 2.7816 2.7825 3.0331 3.0400 3.4348 3.4522 3.5205 3.5292 4.6443 4.6476 4.8708 4.8782 5.5954 5.6037 5.7713 5.7751 10.0036 10.0339 10.2253 10.2761 10.9029 10.9411 11.3482 11.3665 k = 0.0000 1.1285 0.7901 ( 2292 PWs) bands (ev): -2.6517 -2.6509 -2.5170 -2.5161 -1.7056 -1.7051 -1.4870 -1.4866 2.7643 2.7647 2.9961 3.0035 3.3761 3.3925 3.4615 3.4691 4.7328 4.7361 4.9397 4.9484 5.5131 5.5233 5.6873 5.6916 10.0489 10.0830 10.2818 10.3436 10.8677 10.9168 11.2897 11.3117 k = 0.0000 1.1520 0.7901 ( 2292 PWs) bands (ev): -2.6411 -2.6404 -2.4853 -2.4845 -1.6864 -1.6858 -1.4698 -1.4694 2.7535 2.7540 2.9654 2.9734 3.3302 3.3457 3.4171 3.4238 4.8201 4.8238 5.0072 5.0186 5.4340 5.4473 5.6034 5.6086 10.0788 10.1142 10.3328 10.4039 10.8445 10.9069 11.2328 11.2599 k = 0.0000 1.1755 0.7901 ( 2298 PWs) bands (ev): -2.6391 -2.6385 -2.4602 -2.4595 -1.6711 -1.6705 -1.4590 -1.4585 2.7484 2.7496 2.9416 2.9502 3.2989 3.3135 3.3883 3.3942 4.9034 4.9080 5.0651 5.0806 5.3658 5.3837 5.5219 5.5286 10.0896 10.1229 10.3787 10.4549 10.8360 10.9125 11.1807 11.2145 k = 0.0000 1.1755 0.7901 ( 2298 PWs) bands (ev): -2.6391 -2.6385 -2.4602 -2.4595 -1.6711 -1.6705 -1.4590 -1.4585 2.7484 2.7496 2.9416 2.9502 3.2989 3.3135 3.3883 3.3942 4.9034 4.9080 5.0651 5.0806 5.3658 5.3837 5.5219 5.5286 10.0896 10.1229 10.3787 10.4549 10.8360 10.9125 11.1807 11.2145 k = 0.0000 1.1871 0.7710 ( 2296 PWs) bands (ev): -2.6328 -2.6324 -2.4323 -2.4318 -1.6781 -1.6777 -1.4740 -1.4736 2.7539 2.7548 2.9407 2.9467 3.2928 3.3027 3.3821 3.3861 4.9408 4.9449 5.0789 5.0951 5.3275 5.3468 5.4584 5.4660 10.1150 10.1359 10.4472 10.5036 10.8578 10.9228 11.1660 11.1957 k = 0.0000 1.1987 0.7519 ( 2290 PWs) bands (ev): -2.6289 -2.6287 -2.4148 -2.4145 -1.6823 -1.6821 -1.4835 -1.4834 2.7574 2.7579 2.9409 2.9439 3.2900 3.2950 3.3788 3.3808 4.9738 4.9772 5.0831 5.0949 5.3156 5.3310 5.4080 5.4156 10.1317 10.1418 10.4982 10.5291 10.8795 10.9179 11.1609 11.1786 k = 0.0000 1.2102 0.7328 ( 2286 PWs) bands (ev): -2.6276 -2.6276 -2.4088 -2.4088 -1.6837 -1.6837 -1.4868 -1.4868 2.7588 2.7588 2.9420 2.9420 3.2908 3.2908 3.3784 3.3784 4.9904 4.9904 5.0857 5.0857 5.3247 5.3247 5.3890 5.3890 10.1405 10.1405 10.5270 10.5270 10.9011 10.9011 11.1660 11.1660 k = 0.0000 1.2102 0.7328 ( 2286 PWs) bands (ev): -2.6276 -2.6276 -2.4088 -2.4088 -1.6837 -1.6837 -1.4868 -1.4868 2.7588 2.7588 2.9420 2.9420 3.2908 3.2908 3.3784 3.3784 4.9904 4.9904 5.0857 5.0857 5.3247 5.3247 5.3890 5.3890 10.1405 10.1405 10.5270 10.5270 10.9011 10.9011 11.1660 11.1660 k = 0.0238 1.2102 0.7328 ( 2290 PWs) bands (ev): -2.6273 -2.6273 -2.4091 -2.4091 -1.6833 -1.6832 -1.4870 -1.4869 2.7573 2.7581 2.9388 2.9403 3.2889 3.2899 3.3760 3.3764 4.9932 4.9934 5.0886 5.0894 5.3282 5.3288 5.3936 5.3947 10.1353 10.1355 10.5193 10.5196 10.8926 10.8928 11.1556 11.1559 k = 0.0476 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.6264 -2.6264 -2.4101 -2.4100 -1.6821 -1.6820 -1.4874 -1.4874 2.7537 2.7553 2.9309 2.9339 3.2843 3.2863 3.3693 3.3700 5.0018 5.0025 5.0979 5.0998 5.3398 5.3403 5.4084 5.4102 10.1201 10.1205 10.4967 10.4975 10.8677 10.8681 11.1253 11.1260 k = 0.0714 1.2102 0.7328 ( 2294 PWs) bands (ev): -2.6249 -2.6249 -2.4117 -2.4117 -1.6801 -1.6800 -1.4882 -1.4881 2.7482 2.7505 2.9188 2.9230 3.2771 3.2797 3.3587 3.3595 5.0161 5.0175 5.1132 5.1167 5.3592 5.3595 5.4328 5.4347 10.0951 10.0957 10.4603 10.4614 10.8275 10.8281 11.0770 11.0780 k = 0.0952 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.6229 -2.6228 -2.4140 -2.4139 -1.6774 -1.6773 -1.4893 -1.4892 2.7408 2.7437 2.9030 2.9082 3.2674 3.2701 3.3447 3.3454 5.0362 5.0385 5.1341 5.1397 5.3853 5.3870 5.4655 5.4671 10.0611 10.0619 10.4111 10.4126 10.7739 10.7747 11.0131 11.0144 k = 0.1190 1.2102 0.7328 ( 2290 PWs) bands (ev): -2.6202 -2.6202 -2.4168 -2.4167 -1.6739 -1.6738 -1.4907 -1.4906 2.7319 2.7354 2.8842 2.8901 3.2553 3.2577 3.3279 3.3281 5.0618 5.0651 5.1602 5.1681 5.4183 5.4220 5.5054 5.5063 10.0189 10.0199 10.3510 10.3527 10.7090 10.7100 10.9365 10.9380 k = 0.1429 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.6170 -2.6170 -2.4203 -2.4202 -1.6697 -1.6696 -1.4925 -1.4923 2.7217 2.7256 2.8632 2.8695 3.2409 3.2427 3.3084 3.3088 5.0927 5.0970 5.1911 5.2013 5.4578 5.4635 5.5511 5.5514 9.9694 9.9707 10.2816 10.2837 10.6350 10.6363 10.8500 10.8518 k = 0.1667 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.6133 -2.6132 -2.4243 -2.4242 -1.6649 -1.6647 -1.4946 -1.4944 2.7104 2.7148 2.8405 2.8471 3.2247 3.2255 3.2869 3.2880 5.1285 5.1336 5.2261 5.2382 5.5031 5.5106 5.6011 5.6015 9.9139 9.9154 10.2050 10.2073 10.5542 10.5556 10.7564 10.7583 k = 0.1905 1.2102 0.7328 ( 2296 PWs) bands (ev): -2.6090 -2.6090 -2.4288 -2.4287 -1.6595 -1.6593 -1.4970 -1.4968 2.6985 2.7031 2.8169 2.8235 3.2067 3.2068 3.2642 3.2661 5.1686 5.1744 5.2645 5.2783 5.5534 5.5624 5.6544 5.6554 9.8537 9.8554 10.1231 10.1257 10.4686 10.4703 10.6579 10.6600 k = 0.2143 1.2102 0.7328 ( 2294 PWs) bands (ev): -2.6043 -2.6042 -2.4339 -2.4338 -1.6536 -1.6534 -1.4998 -1.4996 2.6863 2.6910 2.7929 2.7995 3.1868 3.1880 3.2409 3.2434 5.2123 5.2185 5.3056 5.3205 5.6075 5.6178 5.7101 5.7117 9.7901 9.7920 10.0377 10.0405 10.3803 10.3822 10.5568 10.5590 k = 0.2381 1.2102 0.7328 ( 2296 PWs) bands (ev): -2.5991 -2.5990 -2.4394 -2.4393 -1.6471 -1.6469 -1.5030 -1.5028 2.6739 2.6787 2.7691 2.7755 3.1665 3.1687 3.2174 3.2206 5.2587 5.2651 5.3484 5.3640 5.6645 5.6757 5.7672 5.7691 9.7245 9.7266 9.9505 9.9536 10.2910 10.2933 10.4550 10.4573 k = 0.2619 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.5934 -2.5933 -2.4453 -2.4452 -1.6403 -1.6401 -1.5066 -1.5064 2.6619 2.6666 2.7460 2.7520 3.1465 3.1494 3.1943 3.1979 5.3070 5.3133 5.3922 5.4081 5.7232 5.7350 5.8245 5.8266 9.6585 9.6608 9.8633 9.8667 10.2027 10.2053 10.3542 10.3565 k = 0.2857 1.2102 0.7328 ( 2294 PWs) bands (ev): -2.5873 -2.5872 -2.4517 -2.4516 -1.6331 -1.6329 -1.5105 -1.5103 2.6503 2.6549 2.7239 2.7295 3.1272 3.1306 3.1718 3.1756 5.3560 5.3621 5.4358 5.4516 5.7826 5.7946 5.8808 5.8829 9.5935 9.5960 9.7777 9.7814 10.1170 10.1199 10.2560 10.2583 k = 0.3095 1.2102 0.7328 ( 2298 PWs) bands (ev): -2.5809 -2.5808 -2.4584 -2.4583 -1.6256 -1.6254 -1.5149 -1.5147 2.6396 2.6439 2.7031 2.7082 3.1093 3.1130 3.1505 3.1543 5.4048 5.4104 5.4783 5.4936 5.8414 5.8533 5.9349 5.9370 9.5311 9.5338 9.6951 9.6991 10.0356 10.0388 10.1618 10.1642 k = 0.3333 1.2102 0.7328 ( 2300 PWs) bands (ev): -2.5741 -2.5740 -2.4654 -2.4653 -1.6179 -1.6177 -1.5196 -1.5194 2.6299 2.6338 2.6839 2.6885 3.0931 3.0968 3.1305 3.1341 5.4522 5.4572 5.5185 5.5331 5.8984 5.9100 5.9857 5.9875 9.4729 9.4757 9.6168 9.6212 9.9601 9.9636 10.0732 10.0756 k = 0.3571 1.2102 0.7328 ( 2302 PWs) bands (ev): -2.5670 -2.5669 -2.4727 -2.4727 -1.6100 -1.6099 -1.5248 -1.5246 2.6215 2.6250 2.6666 2.6706 3.0789 3.0825 3.1122 3.1155 5.4973 5.5014 5.5555 5.5691 5.9525 5.9636 6.0319 6.0332 9.4202 9.4232 9.5443 9.5490 9.8921 9.8959 9.9914 9.9939 k = 0.3810 1.2102 0.7328 ( 2300 PWs) bands (ev): -2.5596 -2.5595 -2.4803 -2.4802 -1.6020 -1.6019 -1.5303 -1.5301 2.6146 2.6176 2.6513 2.6546 3.0672 3.0705 3.0958 3.0986 5.5388 5.5419 5.5882 5.6005 6.0024 6.0127 6.0724 6.0731 9.3745 9.3777 9.4788 9.4836 9.8331 9.8370 9.9179 9.9204 k = 0.4048 1.2102 0.7328 ( 2300 PWs) bands (ev): -2.5520 -2.5519 -2.4880 -2.4880 -1.5941 -1.5940 -1.5362 -1.5361 2.6093 2.6117 2.6380 2.6408 3.0579 3.0608 3.0815 3.0838 5.5758 5.5777 5.6156 5.6265 6.0469 6.0563 6.1058 6.1059 9.3371 9.3405 9.4213 9.4263 9.7844 9.7885 9.8538 9.8565 k = 0.4286 1.2102 0.7328 ( 2298 PWs) bands (ev): -2.5442 -2.5442 -2.4959 -2.4959 -1.5862 -1.5861 -1.5425 -1.5423 2.6058 2.6077 2.6270 2.6291 3.0514 3.0538 3.0695 3.0712 5.6073 5.6078 5.6368 5.6461 6.0848 6.0931 6.1305 6.1316 9.3092 9.3128 9.3729 9.3779 9.7473 9.7514 9.8004 9.8032 k = 0.4524 1.2102 0.7328 ( 2296 PWs) bands (ev): -2.5363 -2.5362 -2.5039 -2.5039 -1.5783 -1.5783 -1.5491 -1.5490 2.6043 2.6055 2.6182 2.6196 3.0477 3.0494 3.0601 3.0611 5.6315 5.6325 5.6510 5.6587 6.1151 6.1223 6.1464 6.1485 9.2917 9.2956 9.3345 9.3394 9.7228 9.7268 9.7588 9.7618 k = 0.4762 1.2102 0.7328 ( 2298 PWs) bands (ev): -2.5282 -2.5282 -2.5120 -2.5120 -1.5706 -1.5706 -1.5560 -1.5559 2.6049 2.6054 2.6117 2.6125 3.0468 3.0479 3.0533 3.0536 5.6479 5.6505 5.6578 5.6638 6.1370 6.1429 6.1529 6.1562 9.2853 9.2895 9.3068 9.3115 9.7115 9.7153 9.7297 9.7329 k = 0.5000 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.5201 -2.5201 -2.5201 -2.5201 -1.5632 -1.5632 -1.5632 -1.5632 2.6075 2.6075 2.6076 2.6076 3.0488 3.0488 3.0492 3.0492 5.6568 5.6568 5.6611 5.6611 6.1497 6.1497 6.1543 6.1543 9.2903 9.2903 9.2948 9.2948 9.7138 9.7138 9.7174 9.7174 k = 0.5000 1.2102 0.7328 ( 2292 PWs) bands (ev): -2.5201 -2.5201 -2.5201 -2.5201 -1.5632 -1.5632 -1.5632 -1.5632 2.6075 2.6075 2.6076 2.6076 3.0488 3.0488 3.0492 3.0492 5.6568 5.6568 5.6611 5.6611 6.1497 6.1497 6.1543 6.1543 9.2903 9.2903 9.2948 9.2948 9.7138 9.7138 9.7174 9.7174 k = 0.5000 1.2218 0.7137 ( 2296 PWs) bands (ev): -2.5234 -2.5234 -2.5227 -2.5227 -1.5622 -1.5622 -1.5613 -1.5613 2.5985 2.5985 2.6065 2.6065 3.0537 3.0537 3.0638 3.0638 5.6567 5.6567 5.6618 5.6618 6.1462 6.1462 6.1510 6.1510 9.2880 9.2880 9.2979 9.2979 9.7162 9.7162 9.7248 9.7248 k = 0.5000 1.2333 0.6946 ( 2302 PWs) bands (ev): -2.5324 -2.5324 -2.5311 -2.5311 -1.5585 -1.5585 -1.5566 -1.5566 2.5815 2.5815 2.5960 2.5960 3.0773 3.0773 3.0959 3.0959 5.6568 5.6568 5.6638 5.6638 6.1356 6.1356 6.1412 6.1412 9.2853 9.2853 9.3031 9.3031 9.7275 9.7275 9.7432 9.7432 k = 0.5000 1.2449 0.6755 ( 2304 PWs) bands (ev): -2.5471 -2.5471 -2.5451 -2.5451 -1.5520 -1.5520 -1.5493 -1.5493 2.5596 2.5596 2.5788 2.5788 3.1168 3.1168 3.1423 3.1423 5.6569 5.6569 5.6665 5.6665 6.1188 6.1188 6.1253 6.1253 9.2831 9.2831 9.3082 9.3082 9.7490 9.7490 9.7711 9.7711 k = 0.5000 1.2449 0.6755 ( 2304 PWs) bands (ev): -2.5471 -2.5471 -2.5451 -2.5451 -1.5520 -1.5520 -1.5493 -1.5493 2.5596 2.5596 2.5788 2.5788 3.1168 3.1168 3.1423 3.1423 5.6569 5.6569 5.6665 5.6665 6.1188 6.1188 6.1253 6.1253 9.2831 9.2831 9.3082 9.3082 9.7490 9.7490 9.7711 9.7711 k = 0.5000 1.2438 0.6519 ( 2300 PWs) bands (ev): -2.5678 -2.5678 -2.5651 -2.5651 -1.5279 -1.5279 -1.5242 -1.5242 2.5216 2.5216 2.5444 2.5444 3.1635 3.1635 3.1955 3.1955 5.6555 5.6555 5.6694 5.6694 6.1076 6.1076 6.1154 6.1154 9.2757 9.2757 9.3100 9.3100 9.7710 9.7710 9.8006 9.8006 k = 0.5000 1.2427 0.6282 ( 2294 PWs) bands (ev): -2.5946 -2.5946 -2.5913 -2.5913 -1.4963 -1.4963 -1.4917 -1.4917 2.4816 2.4816 2.5065 2.5065 3.2185 3.2185 3.2557 3.2557 5.6517 5.6517 5.6707 5.6707 6.0959 6.0959 6.1051 6.1051 9.2688 9.2688 9.3116 9.3116 9.7991 9.7991 9.8354 9.8354 k = 0.5000 1.2415 0.6046 ( 2288 PWs) bands (ev): -2.6262 -2.6262 -2.6226 -2.6226 -1.4586 -1.4586 -1.4532 -1.4532 2.4417 2.4417 2.4678 2.4678 3.2791 3.2791 3.3207 3.3207 5.6457 5.6457 5.6702 5.6702 6.0843 6.0843 6.0948 6.0948 9.2623 9.2623 9.3130 9.3130 9.8325 9.8325 9.8749 9.8749 k = 0.5000 1.2404 0.5809 ( 2290 PWs) bands (ev): -2.6616 -2.6616 -2.6576 -2.6576 -1.4160 -1.4160 -1.4101 -1.4101 2.4032 2.4032 2.4300 2.4300 3.3433 3.3433 3.3890 3.3890 5.6373 5.6373 5.6681 5.6681 6.0731 6.0731 6.0847 6.0847 9.2559 9.2559 9.3142 9.3142 9.8700 9.8700 9.9180 9.9180 k = 0.5000 1.2393 0.5573 ( 2294 PWs) bands (ev): -2.6995 -2.6995 -2.6953 -2.6953 -1.3699 -1.3699 -1.3634 -1.3634 2.3671 2.3671 2.3942 2.3942 3.4098 3.4098 3.4594 3.4594 5.6267 5.6267 5.6645 5.6645 6.0627 6.0627 6.0753 6.0753 9.2492 9.2492 9.3146 9.3146 9.9107 9.9107 9.9641 9.9641 k = 0.5000 1.2382 0.5337 ( 2290 PWs) bands (ev): -2.7393 -2.7393 -2.7348 -2.7348 -1.3212 -1.3212 -1.3142 -1.3142 2.3340 2.3340 2.3612 2.3612 3.4774 3.4774 3.5312 3.5312 5.6138 5.6138 5.6596 5.6596 6.0538 6.0538 6.0672 6.0672 9.2414 9.2414 9.3138 9.3138 9.9536 9.9536 10.0120 10.0120 k = 0.5000 1.2371 0.5100 ( 2290 PWs) bands (ev): -2.7800 -2.7800 -2.7754 -2.7754 -1.2709 -1.2709 -1.2635 -1.2635 2.3044 2.3044 2.3317 2.3317 3.5453 3.5453 3.6034 3.6034 5.5986 5.5986 5.6533 5.6533 6.0467 6.0467 6.0611 6.0611 9.2318 9.2318 9.3109 9.3109 9.9976 9.9976 10.0610 10.0610 k = 0.5000 1.2359 0.4864 ( 2290 PWs) bands (ev): -2.8212 -2.8212 -2.8165 -2.8165 -1.2197 -1.2197 -1.2120 -1.2120 2.2787 2.2787 2.3059 2.3059 3.6127 3.6127 3.6754 3.6754 5.5812 5.5812 5.6459 5.6459 6.0420 6.0420 6.0576 6.0576 9.2195 9.2195 9.3051 9.3051 10.0416 10.0416 10.1100 10.1100 k = 0.5000 1.2348 0.4628 ( 2292 PWs) bands (ev): -2.8623 -2.8623 -2.8575 -2.8575 -1.1684 -1.1684 -1.1604 -1.1604 2.2572 2.2572 2.2842 2.2842 3.6788 3.6788 3.7466 3.7466 5.5616 5.5616 5.6373 5.6373 6.0403 6.0403 6.0577 6.0577 9.2034 9.2034 9.2952 9.2952 10.0843 10.0843 10.1577 10.1577 k = 0.5000 1.2337 0.4391 ( 2296 PWs) bands (ev): -2.9030 -2.9030 -2.8982 -2.8982 -1.1175 -1.1175 -1.1093 -1.1093 2.2400 2.2400 2.2669 2.2669 3.7427 3.7427 3.8161 3.8161 5.5399 5.5399 5.6274 5.6274 6.0424 6.0424 6.0621 6.0621 9.1825 9.1825 9.2802 9.2802 10.1244 10.1244 10.2028 10.2028 k = 0.5000 1.2326 0.4155 ( 2294 PWs) bands (ev): -2.9430 -2.9430 -2.9381 -2.9381 -1.0675 -1.0675 -1.0591 -1.0591 2.2275 2.2275 2.2542 2.2542 3.8039 3.8039 3.8835 3.8835 5.5162 5.5162 5.6163 5.6163 6.0488 6.0488 6.0716 6.0716 9.1560 9.1560 9.2593 9.2593 10.1607 10.1607 10.2441 10.2441 k = 0.5000 1.2315 0.3918 ( 2294 PWs) bands (ev): -2.9819 -2.9819 -2.9771 -2.9771 -1.0190 -1.0190 -1.0104 -1.0104 2.2195 2.2195 2.2461 2.2461 3.8616 3.8616 3.9479 3.9479 5.4906 5.4906 5.6039 5.6039 6.0606 6.0606 6.0869 6.0869 9.1232 9.1232 9.2315 9.2315 10.1914 10.1914 10.2797 10.2797 k = 0.5000 1.2304 0.3682 ( 2288 PWs) bands (ev): -3.0197 -3.0197 -3.0148 -3.0148 -0.9722 -0.9722 -0.9634 -0.9634 2.2163 2.2163 2.2427 2.2427 3.9151 3.9151 4.0088 4.0088 5.4632 5.4632 5.5901 5.5901 6.0786 6.0786 6.1084 6.1084 9.0837 9.0837 9.1964 9.1964 10.2152 10.2152 10.3082 10.3082 k = 0.5000 1.2292 0.3446 ( 2288 PWs) bands (ev): -3.0561 -3.0561 -3.0512 -3.0512 -0.9275 -0.9275 -0.9187 -0.9187 2.2177 2.2177 2.2440 2.2440 3.9640 3.9640 4.0656 4.0656 5.4343 5.4343 5.5749 5.5749 6.1033 6.1033 6.1367 6.1367 9.0374 9.0374 9.1540 9.1540 10.2303 10.2303 10.3277 10.3277 k = 0.5000 1.2281 0.3209 ( 2288 PWs) bands (ev): -3.0909 -3.0909 -3.0861 -3.0861 -0.8852 -0.8852 -0.8763 -0.8763 2.2236 2.2236 2.2498 2.2498 4.0077 4.0077 4.1179 4.1179 5.4040 5.4040 5.5583 5.5583 6.1354 6.1354 6.1719 6.1719 8.9844 8.9844 9.1043 9.1043 10.2352 10.2352 10.3366 10.3366 k = 0.5000 1.2270 0.2973 ( 2294 PWs) bands (ev): -3.1240 -3.1240 -3.1192 -3.1192 -0.8454 -0.8454 -0.8366 -0.8366 2.2339 2.2339 2.2599 2.2599 4.0459 4.0459 4.1652 4.1652 5.3727 5.3727 5.5405 5.5405 6.1749 6.1749 6.2143 6.2143 8.9254 8.9254 9.0480 9.0480 10.2288 10.2288 10.3336 10.3336 k = 0.5000 1.2259 0.2736 ( 2284 PWs) bands (ev): -3.1554 -3.1554 -3.1506 -3.1506 -0.8085 -0.8085 -0.7997 -0.7997 2.2483 2.2483 2.2742 2.2742 4.0785 4.0785 4.2075 4.2075 5.3406 5.3406 5.5218 5.5218 6.2220 6.2220 6.2637 6.2637 8.8611 8.8611 8.9858 8.9858 10.2102 10.2102 10.3179 10.3179 k = 0.5000 1.2248 0.2500 ( 2286 PWs) bands (ev): -3.1850 -3.1850 -3.1802 -3.1802 -0.7744 -0.7744 -0.7656 -0.7656 2.2663 2.2663 2.2922 2.2922 4.1055 4.1055 4.2445 4.2445 5.3079 5.3079 5.5024 5.5024 6.2763 6.2763 6.3201 6.3201 8.7924 8.7924 8.9189 8.9189 10.1795 10.1795 10.2894 10.2894 k = 0.5000 1.2236 0.2264 ( 2282 PWs) bands (ev): -3.2125 -3.2125 -3.2078 -3.2078 -0.7432 -0.7432 -0.7345 -0.7345 2.2876 2.2876 2.3134 2.3134 4.1271 4.1271 4.2763 4.2763 5.2752 5.2752 5.4826 5.4826 6.3373 6.3373 6.3829 6.3829 8.7204 8.7204 8.8483 8.8483 10.1373 10.1373 10.2487 10.2487 k = 0.5000 1.2225 0.2027 ( 2282 PWs) bands (ev): -3.2381 -3.2381 -3.2334 -3.2334 -0.7150 -0.7150 -0.7064 -0.7064 2.3115 2.3115 2.3374 2.3374 4.1436 4.1436 4.3032 4.3032 5.2427 5.2427 5.4627 5.4627 6.4043 6.4043 6.4515 6.4515 8.6461 8.6461 8.7750 8.7750 10.0850 10.0850 10.1975 10.1975 k = 0.5000 1.2214 0.1791 ( 2282 PWs) bands (ev): -3.2617 -3.2617 -3.2569 -3.2569 -0.6897 -0.6897 -0.6812 -0.6812 2.3374 2.3374 2.3635 2.3635 4.1553 4.1553 4.3254 4.3254 5.2108 5.2108 5.4431 5.4431 6.4763 6.4763 6.5251 6.5251 8.5706 8.5706 8.7003 8.7003 10.0248 10.0248 10.1379 10.1379 k = 0.5000 1.2203 0.1555 ( 2278 PWs) bands (ev): -3.2831 -3.2831 -3.2784 -3.2784 -0.6673 -0.6673 -0.6589 -0.6589 2.3647 2.3647 2.3909 2.3909 4.1629 4.1629 4.3432 4.3432 5.1801 5.1801 5.4240 5.4240 6.5524 6.5524 6.6027 6.6027 8.4948 8.4948 8.6250 8.6250 9.9589 9.9589 10.0724 10.0724 k = 0.5000 1.2192 0.1318 ( 2278 PWs) bands (ev): -3.3023 -3.3023 -3.2976 -3.2976 -0.6476 -0.6476 -0.6393 -0.6393 2.3925 2.3925 2.4189 2.4189 4.1670 4.1670 4.3572 4.3572 5.1509 5.1509 5.4060 5.4060 6.6311 6.6311 6.6831 6.6831 8.4197 8.4197 8.5501 8.5501 9.8902 9.8902 10.0040 10.0040 k = 0.5000 1.2180 0.1082 ( 2276 PWs) bands (ev): -3.3194 -3.3194 -3.3147 -3.3147 -0.6306 -0.6306 -0.6224 -0.6224 2.4199 2.4199 2.4467 2.4467 4.1682 4.1682 4.3677 4.3677 5.1237 5.1237 5.3892 5.3892 6.7111 6.7111 6.7648 6.7648 8.3462 8.3462 8.4765 8.4765 9.8214 9.8214 9.9354 9.9354 k = 0.5000 1.2169 0.0845 ( 2280 PWs) bands (ev): -3.3343 -3.3343 -3.3296 -3.3296 -0.6162 -0.6162 -0.6081 -0.6081 2.4461 2.4461 2.4732 2.4732 4.1672 4.1672 4.3754 4.3754 5.0991 5.0991 5.3739 5.3739 6.7904 6.7904 6.8460 6.8460 8.2753 8.2753 8.4052 8.4052 9.7552 9.7552 9.8693 9.8693 k = 0.5000 1.2158 0.0609 ( 2282 PWs) bands (ev): -3.3469 -3.3469 -3.3422 -3.3422 -0.6042 -0.6042 -0.5962 -0.5962 2.4702 2.4702 2.4977 2.4977 4.1648 4.1648 4.3807 4.3807 5.0774 5.0774 5.3605 5.3605 6.8671 6.8671 6.9246 6.9246 8.2083 8.2083 8.3375 8.3375 9.6942 9.6942 9.8084 9.8084 k = 0.5000 1.2147 0.0373 ( 2276 PWs) bands (ev): -3.3572 -3.3572 -3.3526 -3.3526 -0.5945 -0.5945 -0.5866 -0.5866 2.4913 2.4913 2.5192 2.5192 4.1617 4.1617 4.3841 4.3841 5.0591 5.0591 5.3492 5.3492 6.9383 6.9383 6.9977 6.9977 8.1468 8.1468 8.2752 8.2752 9.6406 9.6406 9.7549 9.7549 k = 0.5000 1.2136 0.0136 ( 2274 PWs) bands (ev): -3.3653 -3.3653 -3.3606 -3.3606 -0.5871 -0.5871 -0.5793 -0.5793 2.5087 2.5087 2.5369 2.5369 4.1584 4.1584 4.3861 4.3861 5.0445 5.0445 5.3401 5.3401 7.0008 7.0008 7.0618 7.0618 8.0933 8.0933 8.2207 8.2207 9.5967 9.5967 9.7110 9.7110 k = 0.5000 1.2125-0.0100 ( 2276 PWs) bands (ev): -3.3710 -3.3710 -3.3664 -3.3664 -0.5819 -0.5819 -0.5741 -0.5741 2.5216 2.5216 2.5502 2.5502 4.1557 4.1557 4.3872 4.3872 5.0339 5.0339 5.3336 5.3336 7.0503 7.0503 7.1127 7.1127 8.0509 8.0509 8.1774 8.1774 9.5640 9.5640 9.6783 9.6783 k = 0.5000 1.2113-0.0336 ( 2282 PWs) bands (ev): -3.3745 -3.3745 -3.3699 -3.3699 -0.5788 -0.5788 -0.5710 -0.5710 2.5296 2.5296 2.5583 2.5583 4.1538 4.1538 4.3877 4.3877 5.0274 5.0274 5.3296 5.3296 7.0826 7.0826 7.1458 7.1458 8.0232 8.0232 8.1491 8.1491 9.5439 9.5439 9.6581 9.6581 k = 0.5000 1.2102-0.0573 ( 2284 PWs) bands (ev): -3.3757 -3.3757 -3.3710 -3.3710 -0.5777 -0.5777 -0.5700 -0.5700 2.5323 2.5323 2.5611 2.5611 4.1532 4.1532 4.3879 4.3879 5.0253 5.0253 5.3282 5.3282 7.0939 7.0939 7.1574 7.1574 8.0135 8.0135 8.1392 8.1392 9.5371 9.5371 9.6513 9.6513 k = 0.5000 1.2102-0.0573 ( 2284 PWs) bands (ev): -3.3757 -3.3757 -3.3710 -3.3710 -0.5777 -0.5777 -0.5700 -0.5700 2.5323 2.5323 2.5611 2.5611 4.1532 4.1532 4.3879 4.3879 5.0253 5.0253 5.3282 5.3282 7.0939 7.0939 7.1574 7.1574 8.0135 8.0135 8.1392 8.1392 9.5371 9.5371 9.6513 9.6513 k = 0.4762 1.2102-0.0573 ( 2282 PWs) bands (ev): -3.3799 -3.3753 -3.3716 -3.3670 -0.5821 -0.5744 -0.5718 -0.5641 2.5263 2.5346 2.5550 2.5634 4.1525 4.1551 4.3853 4.3903 5.0219 5.0297 5.3252 5.3302 7.0931 7.0971 7.1566 7.1603 8.0122 8.0170 8.1378 8.1423 9.5313 9.5443 9.6457 9.6580 k = 0.4524 1.2102-0.0573 ( 2280 PWs) bands (ev): -3.3844 -3.3799 -3.3679 -3.3633 -0.5848 -0.5772 -0.5644 -0.5566 2.5169 2.5332 2.5454 2.5619 4.1533 4.1584 4.3826 4.3926 5.0194 5.0349 5.3213 5.3313 7.0949 7.1028 7.1580 7.1653 8.0128 8.0225 8.1379 8.1469 9.5268 9.5529 9.6411 9.6656 k = 0.4286 1.2102-0.0573 ( 2274 PWs) bands (ev): -3.3891 -3.3846 -3.3644 -3.3598 -0.5859 -0.5784 -0.5554 -0.5476 2.5040 2.5283 2.5322 2.5568 4.1553 4.1629 4.3798 4.3945 5.0180 5.0411 5.3165 5.3315 7.0992 7.1108 7.1617 7.1723 8.0153 8.0300 8.1394 8.1531 9.5238 9.5629 9.6374 9.6742 k = 0.4048 1.2102-0.0573 ( 2274 PWs) bands (ev): -3.3939 -3.3895 -3.3612 -3.3567 -0.5854 -0.5780 -0.5451 -0.5373 2.4880 2.5158 2.5200 2.5482 4.1585 4.1686 4.3769 4.3961 5.0177 5.0481 5.3108 5.3309 7.1060 7.1210 7.1675 7.1812 8.0195 8.0393 8.1419 8.1606 9.5220 9.5741 9.6346 9.6835 k = 0.3810 1.2102-0.0573 ( 2270 PWs) bands (ev): -3.3988 -3.3945 -3.3583 -3.3539 -0.5835 -0.5763 -0.5335 -0.5258 2.4693 2.4966 2.5086 2.5364 4.1627 4.1752 4.3738 4.3973 5.0184 5.0560 5.3043 5.3294 7.1153 7.1333 7.1755 7.1919 8.0249 8.0502 8.1452 8.1693 9.5214 9.5864 9.6325 9.6935 k = 0.3571 1.2102-0.0573 ( 2270 PWs) bands (ev): -3.4037 -3.3996 -3.3557 -3.3514 -0.5802 -0.5731 -0.5208 -0.5132 2.4483 2.4749 2.4945 2.5217 4.1679 4.1827 4.3705 4.3977 5.0203 5.0646 5.2971 5.3271 7.1271 7.1475 7.1857 7.2042 8.0312 8.0625 8.1488 8.1787 9.5218 9.5997 9.6310 9.7040 k = 0.3333 1.2102-0.0573 ( 2276 PWs) bands (ev): -3.4086 -3.4047 -3.3534 -3.3493 -0.5756 -0.5687 -0.5072 -0.4997 2.4254 2.4512 2.4781 2.5046 4.1739 4.1908 4.3668 4.3975 5.0232 5.0739 5.2891 5.3241 7.1412 7.1634 7.1979 7.2180 8.0380 8.0758 8.1523 8.1887 9.5232 9.6138 9.6297 9.7147 k = 0.3095 1.2102-0.0573 ( 2278 PWs) bands (ev): -3.4134 -3.4098 -3.3514 -3.3475 -0.5699 -0.5633 -0.4928 -0.4855 2.4011 2.4259 2.4598 2.4854 4.1806 4.1995 4.3628 4.3965 5.0273 5.0838 5.2805 5.3205 7.1574 7.1809 7.2119 7.2331 8.0448 8.0898 8.1552 8.1988 9.5253 9.6287 9.6287 9.7257 k = 0.2857 1.2102-0.0573 ( 2280 PWs) bands (ev): -3.4182 -3.4147 -3.3496 -3.3459 -0.5633 -0.5570 -0.4779 -0.4709 2.3759 2.3996 2.4401 2.4646 4.1876 4.2086 4.3584 4.3947 5.0323 5.0943 5.2714 5.3163 7.1756 7.1996 7.2277 7.2493 8.0513 8.1041 8.1570 8.2086 9.5282 9.6276 9.6442 9.7366 k = 0.2619 1.2102-0.0573 ( 2276 PWs) bands (ev): -3.4227 -3.4195 -3.3481 -3.3447 -0.5560 -0.5499 -0.4628 -0.4560 2.3504 2.3727 2.4195 2.4429 4.1951 4.2180 4.3535 4.3920 5.0384 5.1053 5.2619 5.3115 7.1955 7.2192 7.2449 7.2662 8.0569 8.1186 8.1574 8.2179 9.5315 9.6264 9.6601 9.7473 k = 0.2381 1.2102-0.0573 ( 2280 PWs) bands (ev): -3.4271 -3.4241 -3.3468 -3.3436 -0.5481 -0.5424 -0.4477 -0.4412 2.3250 2.3459 2.3987 2.4206 4.2028 4.2276 4.3483 4.3885 5.0453 5.1167 5.2519 5.3062 7.2169 7.2395 7.2631 7.2837 8.0615 8.1327 8.1562 8.2261 9.5354 9.6249 9.6764 9.7577 k = 0.2143 1.2102-0.0573 ( 2282 PWs) bands (ev): -3.4312 -3.4284 -3.3458 -3.3429 -0.5400 -0.5347 -0.4328 -0.4268 2.3003 2.3196 2.3780 2.3983 4.2106 4.2372 4.3426 4.3842 5.0530 5.1283 5.2417 5.3005 7.2393 7.2601 7.2821 7.3014 8.0649 8.1464 8.1530 8.2332 9.5396 9.6230 9.6928 9.7677 k = 0.1905 1.2102-0.0573 ( 2278 PWs) bands (ev): -3.4350 -3.4325 -3.3449 -3.3422 -0.5318 -0.5269 -0.4185 -0.4129 2.2768 2.2944 2.3579 2.3765 4.2184 4.2468 4.3366 4.3791 5.0614 5.1401 5.2312 5.2943 7.2622 7.2807 7.3012 7.3190 8.0669 8.1478 8.1593 8.2387 9.5443 9.6208 9.7091 9.7771 k = 0.1667 1.2102-0.0573 ( 2280 PWs) bands (ev): -3.4384 -3.4362 -3.3442 -3.3418 -0.5238 -0.5194 -0.4050 -0.3999 2.2549 2.2706 2.3391 2.3558 4.2263 4.2564 4.3303 4.3734 5.0704 5.1519 5.2204 5.2877 7.2853 7.3006 7.3198 7.3361 8.0677 8.1408 8.1712 8.2426 9.5492 9.6181 9.7251 9.7857 k = 0.1429 1.2102-0.0573 ( 2284 PWs) bands (ev): -3.4414 -3.4395 -3.3436 -3.3415 -0.5162 -0.5124 -0.3925 -0.3880 2.2351 2.2489 2.3219 2.3365 4.2342 4.2659 4.3236 4.3670 5.0799 5.1637 5.2096 5.2806 7.3079 7.3197 7.3373 7.3522 8.0676 8.1322 8.1822 8.2449 9.5545 9.6149 9.7405 9.7932 k = 0.1190 1.2102-0.0573 ( 2288 PWs) bands (ev): -3.4440 -3.4424 -3.3431 -3.3414 -0.5093 -0.5060 -0.3814 -0.3775 2.2179 2.2295 2.3068 2.3192 4.2420 4.2753 4.3167 4.3601 5.0899 5.1754 5.1986 5.2732 7.3293 7.3373 7.3528 7.3670 8.0671 8.1224 8.1922 8.2455 9.5600 9.6114 9.7551 9.7995 k = 0.0952 1.2102-0.0573 ( 2282 PWs) bands (ev): -3.4461 -3.4449 -3.3427 -3.3413 -0.5033 -0.5006 -0.3718 -0.3687 2.2034 2.2129 2.2942 2.3043 4.2497 4.2846 4.3097 4.3528 5.1001 5.1868 5.1875 5.2653 7.3485 7.3535 7.3659 7.3799 8.0665 8.1120 8.2012 8.2446 9.5656 9.6075 9.7684 9.8044 k = 0.0714 1.2102-0.0573 ( 2288 PWs) bands (ev): -3.4478 -3.4468 -3.3423 -3.3413 -0.4983 -0.4962 -0.3641 -0.3617 2.1922 2.1993 2.2843 2.2919 4.2574 4.2938 4.3024 4.3451 5.1106 5.1764 5.1980 5.2569 7.3637 7.3687 7.3760 7.3902 8.0666 8.1015 8.2093 8.2423 9.5714 9.6032 9.7802 9.8074 k = 0.0476 1.2102-0.0573 ( 2284 PWs) bands (ev): -3.4489 -3.4483 -3.3421 -3.3414 -0.4945 -0.4931 -0.3583 -0.3567 2.1843 2.1891 2.2774 2.2825 4.2651 4.2951 4.3028 4.3371 5.1213 5.1653 5.2088 5.2481 7.3747 7.3822 7.3828 7.3970 8.0680 8.0916 8.2166 8.2388 9.5772 9.5985 9.7903 9.8085 k = 0.0238 1.2102-0.0573 ( 2284 PWs) bands (ev): -3.4496 -3.4492 -3.3418 -3.3415 -0.4920 -0.4913 -0.3546 -0.3538 2.1800 2.1824 2.2737 2.2763 4.2727 4.2877 4.3116 4.3288 5.1322 5.1542 5.2192 5.2389 7.3820 7.3861 7.3923 7.3998 8.0710 8.0830 8.2232 8.2344 9.5828 9.5936 9.7982 9.8073 k = 0.0000 1.2102-0.0573 ( 2288 PWs) bands (ev): -3.4497 -3.4497 -3.3416 -3.3416 -0.4910 -0.4910 -0.3531 -0.3531 2.1793 2.1793 2.2734 2.2734 4.2802 4.2802 4.3203 4.3203 5.1432 5.1432 5.2293 5.2293 7.3858 7.3858 7.3983 7.3983 8.0760 8.0760 8.2292 8.2292 9.5883 9.5883 9.8039 9.8039 k = 0.0000 1.2102-0.0573 ( 2288 PWs) bands (ev): -3.4497 -3.4497 -3.3416 -3.3416 -0.4910 -0.4910 -0.3531 -0.3531 2.1793 2.1793 2.2734 2.2734 4.2802 4.2802 4.3203 4.3203 5.1432 5.1432 5.2293 5.2293 7.3858 7.3858 7.3983 7.3983 8.0760 8.0760 8.2292 8.2292 9.5883 9.5883 9.8039 9.8039 k = 0.0000 1.2113-0.0336 ( 2288 PWs) bands (ev): -3.4485 -3.4484 -3.3405 -3.3404 -0.4926 -0.4925 -0.3548 -0.3546 2.1797 2.1811 2.2736 2.2751 4.2399 4.2464 4.3367 4.3430 5.1212 5.1344 5.2542 5.2708 7.3349 7.3411 7.4283 7.4374 8.0570 8.0947 8.2115 8.2484 9.5866 9.5957 9.8058 9.8115 k = 0.0000 1.2125-0.0100 ( 2291 PWs) bands (ev): -3.4451 -3.4449 -3.3371 -3.3369 -0.4974 -0.4971 -0.3596 -0.3592 2.1822 2.1849 2.2759 2.2790 4.1773 4.1844 4.3462 4.3539 5.1070 5.1216 5.3186 5.3394 7.2712 7.2761 7.4526 7.4626 8.0412 8.1094 8.1997 8.2668 9.5915 9.6082 9.8175 9.8278 k = 0.0000 1.2136 0.0136 ( 2291 PWs) bands (ev): -3.4393 -3.4390 -3.3313 -3.3310 -0.5054 -0.5049 -0.3676 -0.3671 2.1868 2.1908 2.2803 2.2849 4.1069 4.1142 4.3313 4.3407 5.1149 5.1295 5.3948 5.4173 7.1982 7.2028 7.4595 7.4697 8.0317 8.1168 8.1983 8.2828 9.6037 9.6256 9.8388 9.8519 k = 0.0000 1.2147 0.0373 ( 2292 PWs) bands (ev): -3.4312 -3.4308 -3.3232 -3.3228 -0.5166 -0.5160 -0.3788 -0.3780 2.1934 2.1987 2.2867 2.2928 4.0332 4.0403 4.2942 4.3051 5.1437 5.1584 5.4749 5.4983 7.1178 7.1235 7.4479 7.4580 8.0308 8.1186 8.2074 8.2963 9.6236 9.6481 9.8686 9.8828 k = 0.0000 1.2158 0.0609 ( 2286 PWs) bands (ev): -3.4207 -3.4203 -3.3128 -3.3124 -0.5311 -0.5303 -0.3930 -0.3921 2.2020 2.2087 2.2950 2.3027 3.9587 3.9655 4.2411 4.2530 5.1874 5.2020 5.5549 5.5787 7.0317 7.0397 7.4182 7.4290 8.0391 8.1204 8.2229 8.3078 9.6512 9.6760 9.9058 9.9197 k = 0.0000 1.2169 0.0845 ( 2285 PWs) bands (ev): -3.4080 -3.4075 -3.3001 -3.2996 -0.5489 -0.5480 -0.4103 -0.4093 2.2127 2.2207 2.3054 2.3147 3.8850 3.8914 4.1780 4.1905 5.2392 5.2535 5.6320 5.6553 6.9417 6.9524 7.3724 7.3849 8.0560 8.1262 8.2422 8.3186 9.6861 9.7096 9.9491 9.9616 k = 0.0000 1.2180 0.1082 ( 2282 PWs) bands (ev): -3.3931 -3.3925 -3.2852 -3.2845 -0.5702 -0.5691 -0.4306 -0.4295 2.2253 2.2346 2.3176 2.3286 3.8136 3.8194 4.1099 4.1225 5.2935 5.3071 5.7036 5.7254 6.8489 6.8629 7.3137 7.3284 8.0808 8.1378 8.2651 8.3304 9.7277 9.7488 9.9972 10.0080 k = 0.0000 1.2192 0.1318 ( 2282 PWs) bands (ev): -3.3758 -3.3752 -3.2679 -3.2672 -0.5948 -0.5937 -0.4539 -0.4527 2.2397 2.2505 2.3318 2.3444 3.7451 3.7503 4.0400 4.0524 5.3460 5.3585 5.7676 5.7867 6.7546 6.7723 7.2451 7.2619 8.1130 8.1563 8.2925 8.3455 9.7749 9.7932 10.0492 10.0579 k = 0.0000 1.2203 0.1555 ( 2285 PWs) bands (ev): -3.3564 -3.3556 -3.2485 -3.2477 -0.6230 -0.6218 -0.4801 -0.4789 2.2560 2.2681 2.3478 2.3621 3.6805 3.6850 3.9704 3.9826 5.3933 5.4044 5.8220 5.8368 6.6598 6.6820 7.1693 7.1876 8.1524 8.1825 8.3258 8.3662 9.8269 9.8424 10.1041 10.1110 k = 0.0000 1.2214 0.1791 ( 2285 PWs) bands (ev): -3.3348 -3.3339 -3.2269 -3.2260 -0.6546 -0.6534 -0.5091 -0.5079 2.2740 2.2874 2.3656 2.3817 3.6201 3.6239 3.9027 3.9146 5.4329 5.4426 5.8647 5.8740 6.5658 6.5931 7.0880 7.1075 8.1992 8.2172 8.3669 8.3950 9.8824 9.8954 10.1613 10.1666 k = 0.0000 1.2225 0.2027 ( 2291 PWs) bands (ev): -3.3111 -3.3101 -3.2031 -3.2022 -0.6897 -0.6885 -0.5409 -0.5397 2.2937 2.3083 2.3851 2.4030 3.5643 3.5674 3.8380 3.8495 5.4630 5.4717 5.8926 5.8983 6.4737 6.5069 7.0028 7.0231 8.2533 8.2610 8.4173 8.4341 9.9407 9.9516 10.2202 10.2242 k = 0.0000 1.2236 0.2264 ( 2291 PWs) bands (ev): -3.2852 -3.2842 -3.1772 -3.1762 -0.7282 -0.7271 -0.5754 -0.5742 2.3149 2.3307 2.4063 2.4260 3.5133 3.5159 3.7770 3.7881 5.4820 5.4911 5.9002 5.9124 6.3849 6.4247 6.9149 6.9356 8.3133 8.3158 8.4783 8.4850 10.0008 10.0099 10.2804 10.2833 k = 0.0000 1.2248 0.2500 ( 2285 PWs) bands (ev): -3.2574 -3.2563 -3.1493 -3.1481 -0.7700 -0.7689 -0.6125 -0.6113 2.3375 2.3543 2.4293 2.4506 3.4671 3.4698 3.7202 3.7307 5.4895 5.5003 5.8899 5.9123 6.3010 6.3476 6.8252 6.8460 8.3761 8.3846 8.5478 8.5511 10.0620 10.0698 10.3417 10.3436 k = 0.0000 1.2259 0.2736 ( 2282 PWs) bands (ev): -3.2276 -3.2265 -3.1193 -3.1181 -0.8150 -0.8139 -0.6521 -0.6509 2.3613 2.3790 2.4538 2.4767 3.4259 3.4292 3.6679 3.6779 5.4857 5.4992 5.8635 5.8959 6.2239 6.2760 6.7345 6.7553 8.4477 8.4617 8.6236 8.6343 10.1235 10.1305 10.4034 10.4050 k = 0.0000 1.2270 0.2973 ( 2286 PWs) bands (ev): -3.1960 -3.1948 -3.0874 -3.0861 -0.8628 -0.8618 -0.6940 -0.6930 2.3863 2.4047 2.4799 2.5043 3.3896 3.3941 3.6203 3.6298 5.4716 5.4881 5.8232 5.8630 6.1545 6.2097 6.6435 6.6641 8.5279 8.5468 8.7105 8.7281 10.1845 10.1916 10.4650 10.4673 k = 0.0000 1.2281 0.3209 ( 2292 PWs) bands (ev): -3.1626 -3.1613 -3.0537 -3.0523 -0.9134 -0.9124 -0.7383 -0.7373 2.4122 2.4309 2.5075 2.5331 3.3583 3.3643 3.5776 3.5864 5.4483 5.4677 5.7719 5.8155 6.0925 6.1471 6.5528 6.5730 8.6163 8.6398 8.8070 8.8310 10.2446 10.2529 10.5263 10.5302 k = 0.0000 1.2292 0.3446 ( 2294 PWs) bands (ev): -3.1275 -3.1262 -3.0182 -3.0167 -0.9663 -0.9653 -0.7847 -0.7838 2.4388 2.4576 2.5365 2.5632 3.3319 3.3398 3.5397 3.5479 5.4171 5.4389 5.7133 5.7574 6.0356 6.0868 6.4628 6.4826 8.7122 8.7400 8.9115 8.9414 10.3033 10.3137 10.5872 10.5931 k = 0.0000 1.2304 0.3682 ( 2294 PWs) bands (ev): -3.0910 -3.0895 -2.9810 -2.9794 -1.0213 -1.0203 -0.8330 -0.8321 2.4659 2.4844 2.5669 2.5942 3.3104 3.3202 3.5066 3.5140 5.3793 5.4030 5.6506 5.6928 5.9811 6.0273 6.3741 6.3934 8.8147 8.8466 9.0222 9.0579 10.3603 10.3738 10.6475 10.6556 k = 0.0000 1.2315 0.3918 ( 2292 PWs) bands (ev): -3.0531 -3.0516 -2.9422 -2.9406 -1.0779 -1.0769 -0.8830 -0.8822 2.4933 2.5111 2.5984 2.6261 3.2934 3.3054 3.4780 3.4848 5.3365 5.3613 5.5864 5.6257 5.9271 5.9679 6.2871 6.3058 8.9227 8.9585 9.1376 9.1790 10.4154 10.4325 10.7067 10.7175 k = 0.0000 1.2326 0.4155 ( 2290 PWs) bands (ev): -3.0140 -3.0125 -2.9021 -2.9004 -1.1358 -1.1348 -0.9345 -0.9337 2.5207 2.5375 2.6309 2.6587 3.2808 3.2951 3.4537 3.4600 5.2901 5.3153 5.5227 5.5584 5.8725 5.9083 6.2023 6.2202 9.0348 9.0745 9.2560 9.3032 10.4681 10.4897 10.7646 10.7783 k = 0.0000 1.2337 0.4391 ( 2294 PWs) bands (ev): -2.9740 -2.9724 -2.8607 -2.8590 -1.1944 -1.1935 -0.9871 -0.9863 2.5479 2.5634 2.6642 2.6916 3.2721 3.2887 3.4335 3.4394 5.2416 5.2664 5.4606 5.4926 5.8173 5.8486 6.1199 6.1370 9.1497 9.1933 9.3758 9.4292 10.5182 10.5450 10.8208 10.8376 k = 0.0000 1.2348 0.4628 ( 2296 PWs) bands (ev): -2.9335 -2.9318 -2.8183 -2.8165 -1.2534 -1.2524 -1.0405 -1.0397 2.5746 2.5885 2.6979 2.7247 3.2669 3.2860 3.4169 3.4228 5.1925 5.2162 5.4011 5.4295 5.7619 5.7894 6.0404 6.0567 9.2659 9.3134 9.4956 9.5556 10.5652 10.5980 10.8748 10.8950 k = 0.0000 1.2359 0.4864 ( 2294 PWs) bands (ev): -2.8926 -2.8910 -2.7752 -2.7734 -1.3120 -1.3111 -1.0942 -1.0935 2.6005 2.6127 2.7317 2.7576 3.2648 3.2862 3.4037 3.4098 5.1440 5.1662 5.3447 5.3698 5.7067 5.7312 5.9643 5.9796 9.3820 9.4334 9.6140 9.6813 10.6087 10.6483 10.9262 10.9500 k = 0.0000 1.2371 0.5100 ( 2301 PWs) bands (ev): -2.8520 -2.8503 -2.7315 -2.7297 -1.3698 -1.3688 -1.1479 -1.1471 2.6253 2.6357 2.7651 2.7899 3.2652 3.2888 3.3934 3.4003 5.0974 5.1177 5.2919 5.3142 5.6525 5.6747 5.8918 5.9061 9.4964 9.5517 9.7295 9.8048 10.6484 10.6955 10.9745 11.0019 k = 0.0000 1.2382 0.5337 ( 2299 PWs) bands (ev): -2.8120 -2.8104 -2.6879 -2.6861 -1.4259 -1.4249 -1.2009 -1.2001 2.6487 2.6575 2.7978 2.8211 3.2676 3.2930 3.3859 3.3938 5.0538 5.0721 5.2431 5.2633 5.6000 5.6206 5.8234 5.8367 9.6074 9.6664 9.8410 9.9247 10.6838 10.7393 11.0191 11.0501 k = 0.0000 1.2393 0.5573 ( 2297 PWs) bands (ev): -2.7736 -2.7720 -2.6446 -2.6428 -1.4795 -1.4785 -1.2526 -1.2519 2.6706 2.6777 2.8291 2.8508 3.2715 3.2980 3.3810 3.3899 5.0143 5.0305 5.1989 5.2176 5.5500 5.5696 5.7595 5.7716 9.7133 9.7752 9.9474 10.0396 10.7149 10.7794 11.0595 11.0939 k = 0.0000 1.2404 0.5809 ( 2301 PWs) bands (ev): -2.7374 -2.7360 -2.6023 -2.6006 -1.5296 -1.5287 -1.3023 -1.3015 2.6906 2.6962 2.8584 2.8782 3.2763 3.3030 3.3786 3.3882 4.9797 4.9936 5.1598 5.1775 5.5034 5.5223 5.7006 5.7114 9.8121 9.8753 10.0477 10.1474 10.7417 10.8153 11.0952 11.1324 k = 0.0000 1.2415 0.6046 ( 2298 PWs) bands (ev): -2.7046 -2.7033 -2.5617 -2.5602 -1.5751 -1.5742 -1.3489 -1.3482 2.7086 2.7128 2.8851 2.9026 3.2816 3.3073 3.3786 3.3883 4.9508 4.9623 5.1264 5.1434 5.4609 5.4795 5.6469 5.6565 9.9017 9.9634 10.1417 10.2460 10.7652 10.8468 11.1255 11.1647 k = 0.0000 1.2427 0.6282 ( 2296 PWs) bands (ev): -2.6764 -2.6753 -2.5237 -2.5224 -1.6147 -1.6139 -1.3915 -1.3909 2.7243 2.7274 2.9083 2.9233 3.2872 3.3104 3.3806 3.3897 4.9282 4.9373 5.0991 5.1158 5.4233 5.4418 5.5990 5.6074 9.9797 10.0360 10.2287 10.3323 10.7870 10.8738 11.1500 11.1898 k = 0.0000 1.2438 0.6519 ( 2292 PWs) bands (ev): -2.6541 -2.6532 -2.4895 -2.4884 -1.6472 -1.6464 -1.4287 -1.4281 2.7376 2.7397 2.9274 2.9394 3.2930 3.3124 3.3840 3.3918 4.9123 4.9191 5.0786 5.0948 5.3914 5.4097 5.5572 5.5646 10.0432 10.0898 10.3082 10.4030 10.8097 10.8958 11.1684 11.2067 k = 0.0000 1.2449 0.6755 ( 2298 PWs) bands (ev): -2.6391 -2.6385 -2.4602 -2.4595 -1.6711 -1.6705 -1.4590 -1.4585 2.7484 2.7496 2.9416 2.9502 3.2989 3.3135 3.3883 3.3942 4.9034 4.9080 5.0651 5.0806 5.3658 5.3837 5.5219 5.5286 10.0896 10.1229 10.3787 10.4549 10.8360 10.9125 11.1807 11.2145 k = 0.5000 1.1755 0.7901 ( 2304 PWs) bands (ev): -2.5471 -2.5471 -2.5451 -2.5451 -1.5520 -1.5520 -1.5493 -1.5493 2.5596 2.5596 2.5788 2.5788 3.1168 3.1168 3.1423 3.1423 5.6569 5.6569 5.6665 5.6665 6.1188 6.1188 6.1253 6.1253 9.2831 9.2831 9.3082 9.3082 9.7490 9.7490 9.7711 9.7711 k = 0.5000 1.1520 0.7901 ( 2306 PWs) bands (ev): -2.5571 -2.5571 -2.5552 -2.5552 -1.5714 -1.5714 -1.5688 -1.5688 2.5767 2.5767 2.5958 2.5958 3.1472 3.1472 3.1724 3.1724 5.6545 5.6545 5.6630 5.6630 6.0959 6.0959 6.1026 6.1026 9.2936 9.2936 9.3170 9.3170 9.7752 9.7752 9.7965 9.7965 k = 0.5000 1.1285 0.7901 ( 2302 PWs) bands (ev): -2.5739 -2.5739 -2.5720 -2.5720 -1.5978 -1.5978 -1.5952 -1.5952 2.6050 2.6050 2.6240 2.6240 3.1888 3.1888 3.2139 3.2139 5.6462 5.6462 5.6537 5.6537 6.0684 6.0684 6.0754 6.0754 9.3102 9.3102 9.3317 9.3317 9.8095 9.8095 9.8298 9.8298 k = 0.5000 1.1050 0.7901 ( 2302 PWs) bands (ev): -2.5971 -2.5971 -2.5953 -2.5953 -1.6307 -1.6307 -1.6281 -1.6281 2.6443 2.6443 2.6633 2.6633 3.2410 3.2410 3.2659 3.2659 5.6323 5.6323 5.6388 5.6388 6.0371 6.0371 6.0445 6.0445 9.3327 9.3327 9.3523 9.3523 9.8510 9.8510 9.8703 9.8703 k = 0.5000 1.0815 0.7901 ( 2300 PWs) bands (ev): -2.6265 -2.6265 -2.6248 -2.6248 -1.6697 -1.6697 -1.6672 -1.6672 2.6940 2.6940 2.7130 2.7130 3.3029 3.3029 3.3278 3.3278 5.6133 5.6133 5.6189 5.6189 6.0026 6.0026 6.0105 6.0105 9.3606 9.3606 9.3784 9.3784 9.8985 9.8985 9.9169 9.9169 k = 0.5000 1.0580 0.7901 ( 2296 PWs) bands (ev): -2.6616 -2.6616 -2.6599 -2.6599 -1.7141 -1.7141 -1.7117 -1.7117 2.7536 2.7536 2.7727 2.7727 3.3736 3.3736 3.3985 3.3985 5.5899 5.5899 5.5948 5.5948 5.9658 5.9658 5.9746 5.9746 9.3936 9.3936 9.4096 9.4096 9.9512 9.9512 9.9686 9.9686 k = 0.5000 1.0345 0.7901 ( 2298 PWs) bands (ev): -2.7018 -2.7018 -2.7002 -2.7002 -1.7635 -1.7635 -1.7612 -1.7612 2.8224 2.8224 2.8416 2.8416 3.4520 3.4520 3.4768 3.4768 5.5625 5.5625 5.5675 5.5675 5.9277 5.9277 5.9376 5.9376 9.4309 9.4309 9.4452 9.4452 10.0078 10.0078 10.0244 10.0244 k = 0.5000 1.0110 0.7901 ( 2296 PWs) bands (ev): -2.7467 -2.7467 -2.7451 -2.7451 -1.8173 -1.8173 -1.8151 -1.8151 2.8996 2.8996 2.9188 2.9188 3.5368 3.5368 3.5614 3.5614 5.5320 5.5320 5.5382 5.5382 5.8893 5.8893 5.9008 5.9008 9.4717 9.4717 9.4845 9.4845 10.0674 10.0674 10.0834 10.0834 k = 0.5000 0.9874 0.7901 ( 2292 PWs) bands (ev): -2.7956 -2.7956 -2.7941 -2.7941 -1.8748 -1.8748 -1.8727 -1.8727 2.9841 2.9841 3.0035 3.0035 3.6265 3.6265 3.6509 3.6509 5.4994 5.4994 5.5078 5.5078 5.8521 5.8521 5.8655 5.8655 9.5151 9.5151 9.5266 9.5266 10.1290 10.1290 10.1444 10.1444 k = 0.5000 0.9639 0.7901 ( 2288 PWs) bands (ev): -2.8481 -2.8481 -2.8467 -2.8467 -1.9355 -1.9355 -1.9335 -1.9335 3.0748 3.0748 3.0943 3.0943 3.7195 3.7195 3.7435 3.7435 5.4661 5.4661 5.4777 5.4777 5.8174 5.8174 5.8334 5.8334 9.5602 9.5602 9.5704 9.5704 10.1915 10.1915 10.2065 10.2065 k = 0.5000 0.9404 0.7901 ( 2288 PWs) bands (ev): -2.9037 -2.9037 -2.9023 -2.9023 -1.9988 -1.9988 -1.9969 -1.9969 3.1705 3.1705 3.1900 3.1900 3.8139 3.8139 3.8371 3.8371 5.4333 5.4333 5.4492 5.4492 5.7872 5.7872 5.8062 5.8062 9.6058 9.6058 9.6151 9.6151 10.2540 10.2540 10.2686 10.2686 k = 0.5000 0.9169 0.7901 ( 2286 PWs) bands (ev): -2.9618 -2.9618 -2.9605 -2.9605 -2.0643 -2.0643 -2.0624 -2.0624 3.2696 3.2696 3.2891 3.2891 3.9073 3.9073 3.9292 3.9292 5.4028 5.4028 5.4238 5.4238 5.7636 5.7636 5.7863 5.7863 9.6512 9.6512 9.6596 9.6596 10.3155 10.3155 10.3299 10.3299 k = 0.5000 0.8934 0.7901 ( 2286 PWs) bands (ev): -3.0219 -3.0219 -3.0207 -3.0207 -2.1314 -2.1314 -2.1296 -2.1296 3.3704 3.3704 3.3896 3.3896 3.9973 3.9973 4.0170 4.0170 5.3762 5.3762 5.4035 5.4035 5.7494 5.7494 5.7760 5.7760 9.6953 9.6953 9.7031 9.7031 10.3751 10.3751 10.3894 10.3894 k = 0.5000 0.8699 0.7901 ( 2282 PWs) bands (ev): -3.0837 -3.0837 -3.0825 -3.0825 -2.1997 -2.1997 -2.1980 -2.1980 3.4708 3.4708 3.4894 3.4894 4.0808 4.0808 4.0973 4.0973 5.3559 5.3559 5.3902 5.3902 5.7477 5.7477 5.7783 5.7783 9.7373 9.7373 9.7445 9.7445 10.4319 10.4319 10.4464 10.4464 k = 0.5000 0.8464 0.7901 ( 2282 PWs) bands (ev): -3.1466 -3.1466 -3.1455 -3.1455 -2.2688 -2.2688 -2.2672 -2.2672 3.5683 3.5683 3.5858 3.5858 4.1548 4.1548 4.1668 4.1668 5.3444 5.3444 5.3860 5.3860 5.7620 5.7620 5.7962 5.7962 9.7765 9.7765 9.7833 9.7833 10.4853 10.4853 10.4999 10.4999 k = 0.5000 0.8229 0.7901 ( 2284 PWs) bands (ev): -3.2104 -3.2104 -3.2093 -3.2093 -2.3383 -2.3383 -2.3368 -2.3368 3.6600 3.6600 3.6758 3.6758 4.2165 4.2165 4.2228 4.2228 5.3447 5.3447 5.3933 5.3933 5.7954 5.7954 5.8322 5.8322 9.8121 9.8121 9.8187 9.8187 10.5345 10.5345 10.5494 10.5494 k = 0.5000 0.7994 0.7901 ( 2284 PWs) bands (ev): -3.2747 -3.2747 -3.2736 -3.2736 -2.4080 -2.4080 -2.4065 -2.4065 3.7430 3.7430 3.7563 3.7563 4.2627 4.2627 4.2644 4.2644 5.3603 5.3603 5.4144 5.4144 5.8504 5.8504 5.8882 5.8882 9.8438 9.8438 9.8501 9.8501 10.5789 10.5789 10.5942 10.5942 k = 0.5000 0.7758 0.7901 ( 2282 PWs) bands (ev): -3.3391 -3.3391 -3.3381 -3.3381 -2.4774 -2.4774 -2.4761 -2.4761 3.8141 3.8141 3.8242 3.8242 4.2882 4.2882 4.2956 4.2956 5.3942 5.3942 5.4516 5.4516 5.9277 5.9277 5.9649 5.9649 9.8711 9.8711 9.8774 9.8774 10.6181 10.6181 10.6340 10.6340 k = 0.5000 0.7523 0.7901 ( 2286 PWs) bands (ev): -3.4034 -3.4034 -3.4024 -3.4024 -2.5465 -2.5465 -2.5451 -2.5451 3.8709 3.8709 3.8773 3.8773 4.2988 4.2988 4.3120 4.3120 5.4489 5.4489 5.5070 5.5070 6.0263 6.0263 6.0618 6.0618 9.8938 9.8938 9.9002 9.9002 10.6519 10.6519 10.6684 10.6684 k = 0.5000 0.7288 0.7901 ( 2290 PWs) bands (ev): -3.4674 -3.4674 -3.4664 -3.4664 -2.6148 -2.6148 -2.6135 -2.6135 3.9120 3.9120 3.9146 3.9146 4.2968 4.2968 4.3146 4.3146 5.5255 5.5255 5.5820 5.5820 6.1442 6.1442 6.1772 6.1772 9.9119 9.9119 9.9185 9.9185 10.6801 10.6801 10.6972 10.6972 k = 0.5000 0.7053 0.7901 ( 2292 PWs) bands (ev): -3.5307 -3.5307 -3.5298 -3.5298 -2.6823 -2.6823 -2.6810 -2.6810 3.9359 3.9359 3.9378 3.9378 4.2847 4.2847 4.3054 4.3054 5.6236 5.6236 5.6767 5.6767 6.2787 6.2787 6.3089 6.3089 9.9255 9.9255 9.9323 9.9323 10.7027 10.7027 10.7204 10.7204 k = 0.5000 0.6818 0.7901 ( 2290 PWs) bands (ev): -3.5932 -3.5932 -3.5924 -3.5924 -2.7486 -2.7486 -2.7474 -2.7474 3.9439 3.9439 3.9485 3.9485 4.2644 4.2644 4.2866 4.2866 5.7412 5.7412 5.7903 5.7903 6.4273 6.4273 6.4547 6.4547 9.9348 9.9348 9.9419 9.9419 10.7199 10.7199 10.7382 10.7382 k = 0.5000 0.6583 0.7901 ( 2292 PWs) bands (ev): -3.6548 -3.6548 -3.6539 -3.6539 -2.8137 -2.8137 -2.8126 -2.8126 3.9401 3.9401 3.9468 3.9468 4.2379 4.2379 4.2604 4.2604 5.8761 5.8761 5.9208 5.9208 6.5875 6.5875 6.6122 6.6122 9.9400 9.9400 9.9475 9.9475 10.7319 10.7319 10.7509 10.7509 k = 0.5000 0.6348 0.7901 ( 2296 PWs) bands (ev): -3.7151 -3.7151 -3.7143 -3.7143 -2.8774 -2.8774 -2.8763 -2.8763 3.9268 3.9268 3.9349 3.9349 4.2067 4.2067 4.2288 4.2288 6.0256 6.0256 6.0662 6.0662 6.7573 6.7573 6.7796 6.7796 9.9416 9.9416 9.9495 9.9495 10.7391 10.7391 10.7587 10.7587 k = 0.5000 0.6113 0.7901 ( 2294 PWs) bands (ev): -3.7742 -3.7742 -3.7734 -3.7734 -2.9395 -2.9395 -2.9385 -2.9385 3.9063 3.9063 3.9153 3.9153 4.1721 4.1721 4.1932 4.1932 6.1873 6.1873 6.2243 6.2243 6.9350 6.9350 6.9552 6.9552 9.9399 9.9399 9.9483 9.9483 10.7421 10.7421 10.7623 10.7623 k = 0.5000 0.5878 0.7901 ( 2298 PWs) bands (ev): -3.8318 -3.8318 -3.8310 -3.8310 -3.0000 -3.0000 -2.9990 -2.9990 3.8805 3.8805 3.8898 3.8898 4.1350 4.1350 4.1548 4.1548 6.3592 6.3592 6.3930 6.3930 7.1192 7.1192 7.1377 7.1377 9.9354 9.9354 9.9444 9.9444 10.7412 10.7412 10.7620 10.7620 k = 0.5000 0.5643 0.7901 ( 2298 PWs) bands (ev): -3.8878 -3.8878 -3.8871 -3.8871 -3.0587 -3.0587 -3.0577 -3.0577 3.8507 3.8507 3.8600 3.8600 4.0963 4.0963 4.1148 4.1148 6.5394 6.5394 6.5705 6.5705 7.3088 7.3088 7.3257 7.3257 9.9287 9.9287 9.9382 9.9382 10.7371 10.7371 10.7585 10.7585 k = 0.5000 0.5407 0.7901 ( 2296 PWs) bands (ev): -3.9421 -3.9421 -3.9414 -3.9414 -3.1155 -3.1155 -3.1146 -3.1146 3.8183 3.8183 3.8274 3.8274 4.0566 4.0566 4.0738 4.0738 6.7266 6.7266 6.7555 6.7555 7.5026 7.5026 7.5183 7.5183 9.9203 9.9203 9.9305 9.9305 10.7303 10.7303 10.7523 10.7523 k = 0.5000 0.5172 0.7901 ( 2296 PWs) bands (ev): -3.9947 -3.9947 -3.9940 -3.9940 -3.1704 -3.1704 -3.1695 -3.1695 3.7841 3.7841 3.7929 3.7929 4.0165 4.0165 4.0324 4.0324 6.9196 6.9196 6.9466 6.9466 7.6997 7.6997 7.7144 7.7144 9.9107 9.9107 9.9216 9.9216 10.7214 10.7214 10.7441 10.7441 k = 0.5000 0.4937 0.7901 ( 2294 PWs) bands (ev): -4.0453 -4.0453 -4.0447 -4.0447 -3.2232 -3.2232 -3.2223 -3.2223 3.7489 3.7489 3.7574 3.7574 3.9765 3.9765 3.9912 3.9912 7.1171 7.1171 7.1427 7.1427 7.8991 7.8991 7.9130 7.9130 9.9006 9.9006 9.9124 9.9124 10.7110 10.7110 10.7344 10.7344 k = 0.5000 0.4702 0.7901 ( 2298 PWs) bands (ev): -4.0941 -4.0941 -4.0935 -4.0935 -3.2739 -3.2739 -3.2731 -3.2731 3.7134 3.7134 3.7215 3.7215 3.9369 3.9369 3.9505 3.9505 7.3184 7.3184 7.3428 7.3428 8.0997 8.0997 8.1130 8.1130 9.8908 9.8908 9.9034 9.9034 10.6997 10.6997 10.7238 10.7238 k = 0.5000 0.4467 0.7901 ( 2296 PWs) bands (ev): -4.1408 -4.1408 -4.1402 -4.1402 -3.3224 -3.3224 -3.3217 -3.3217 3.6780 3.6780 3.6857 3.6857 3.8980 3.8980 3.9106 3.9106 7.5224 7.5224 7.5459 7.5459 8.3003 8.3003 8.3131 8.3131 9.8821 9.8821 9.8958 9.8958 10.6880 10.6880 10.7130 10.7130 k = 0.5000 0.4232 0.7901 ( 2296 PWs) bands (ev): -4.1854 -4.1854 -4.1848 -4.1848 -3.3688 -3.3688 -3.3680 -3.3680 3.6431 3.6431 3.6504 3.6504 3.8601 3.8601 3.8719 3.8719 7.7283 7.7283 7.7510 7.7510 8.4992 8.4992 8.5117 8.5117 9.8757 9.8757 9.8905 9.8905 10.6768 10.6768 10.7027 10.7027 k = 0.5000 0.3997 0.7901 ( 2294 PWs) bands (ev): -4.2279 -4.2279 -4.2273 -4.2273 -3.4128 -3.4128 -3.4121 -3.4121 3.6090 3.6090 3.6159 3.6159 3.8234 3.8234 3.8344 3.8344 7.9351 7.9351 7.9572 7.9572 8.6945 8.6945 8.7068 8.7068 9.8733 9.8733 9.8893 9.8893 10.6667 10.6667 10.6936 10.6936 k = 0.5000 0.3762 0.7901 ( 2296 PWs) bands (ev): -4.2681 -4.2681 -4.2676 -4.2676 -3.4545 -3.4545 -3.4538 -3.4538 3.5759 3.5759 3.5825 3.5825 3.7882 3.7882 3.7985 3.7985 8.1415 8.1415 8.1631 8.1631 8.8832 8.8832 8.8950 8.8950 9.8776 9.8776 9.8947 9.8947 10.6586 10.6586 10.6866 10.6866 k = 0.5000 0.3527 0.7901 ( 2294 PWs) bands (ev): -4.3062 -4.3062 -4.3056 -4.3056 -3.4939 -3.4939 -3.4932 -3.4932 3.5441 3.5441 3.5504 3.5504 3.7545 3.7545 3.7642 3.7642 8.3463 8.3463 8.3672 8.3672 9.0609 9.0609 9.0716 9.0716 9.8926 9.8926 9.9102 9.9102 10.6538 10.6538 10.6827 10.6827 k = 0.5000 0.3291 0.7901 ( 2290 PWs) bands (ev): -4.3419 -4.3419 -4.3414 -4.3414 -3.5309 -3.5309 -3.5302 -3.5302 3.5138 3.5138 3.5198 3.5198 3.7226 3.7226 3.7316 3.7316 8.5477 8.5477 8.5674 8.5674 9.2215 9.2215 9.2293 9.2293 9.9249 9.9249 9.9412 9.9412 10.6539 10.6539 10.6835 10.6835 k = 0.5000 0.3056 0.7901 ( 2292 PWs) bands (ev): -4.3753 -4.3753 -4.3748 -4.3748 -3.5654 -3.5654 -3.5648 -3.5648 3.4851 3.4851 3.4908 3.4908 3.6924 3.6924 3.7010 3.7010 8.7432 8.7432 8.7608 8.7608 9.3562 9.3562 9.3615 9.3615 9.9818 9.9818 9.9939 9.9939 10.6613 10.6613 10.6909 10.6909 k = 0.5000 0.2821 0.7901 ( 2292 PWs) bands (ev): -4.4064 -4.4064 -4.4059 -4.4059 -3.5975 -3.5975 -3.5968 -3.5968 3.4582 3.4582 3.4636 3.4636 3.6642 3.6642 3.6723 3.6723 8.9291 8.9291 8.9424 8.9424 9.4546 9.4546 9.4708 9.4708 10.0651 10.0651 10.0729 10.0729 10.6797 10.6797 10.7079 10.7079 k = 0.5000 0.2586 0.7901 ( 2294 PWs) bands (ev): -4.4351 -4.4351 -4.4346 -4.4346 -3.6271 -3.6271 -3.6265 -3.6265 3.4331 3.4331 3.4383 3.4383 3.6379 3.6379 3.6457 3.6457 9.0985 9.0985 9.1052 9.1052 9.5256 9.5256 9.5617 9.5617 10.1609 10.1609 10.1791 10.1791 10.7144 10.7144 10.7387 10.7387 k = 0.5000 0.2351 0.7901 ( 2294 PWs) bands (ev): -4.4613 -4.4613 -4.4609 -4.4609 -3.6542 -3.6542 -3.6536 -3.6536 3.4099 3.4099 3.4149 3.4149 3.6138 3.6138 3.6212 3.6212 9.2330 9.2330 9.2457 9.2457 9.5869 9.5869 9.6493 9.6493 10.2584 10.2584 10.2952 10.2952 10.7715 10.7715 10.7885 10.7885 k = 0.5000 0.2116 0.7901 ( 2290 PWs) bands (ev): -4.4852 -4.4852 -4.4847 -4.4847 -3.6788 -3.6788 -3.6781 -3.6781 3.3887 3.3887 3.3936 3.3936 3.5918 3.5918 3.5989 3.5989 9.3244 9.3244 9.3501 9.3501 9.6581 9.6581 9.7464 9.7464 10.3489 10.3489 10.4070 10.4070 10.8540 10.8540 10.8616 10.8616 k = 0.5000 0.1881 0.7901 ( 2292 PWs) bands (ev): -4.5066 -4.5066 -4.5061 -4.5061 -3.7008 -3.7008 -3.7002 -3.7002 3.3696 3.3696 3.3743 3.3743 3.5719 3.5719 3.5788 3.5788 9.3795 9.3795 9.4110 9.4110 9.7449 9.7449 9.8496 9.8496 10.4322 10.4322 10.5097 10.5097 10.9560 10.9560 10.9590 10.9590 k = 0.5000 0.1646 0.7901 ( 2292 PWs) bands (ev): -4.5255 -4.5255 -4.5250 -4.5250 -3.7203 -3.7203 -3.7197 -3.7197 3.3526 3.3526 3.3572 3.3572 3.5544 3.5544 3.5610 3.5610 9.4107 9.4107 9.4418 9.4418 9.8335 9.8335 9.9447 9.9447 10.5158 10.5158 10.6068 10.6068 11.0659 11.0659 11.0749 11.0749 k = 0.5000 0.1411 0.7901 ( 2290 PWs) bands (ev): -4.5419 -4.5419 -4.5414 -4.5414 -3.7371 -3.7371 -3.7366 -3.7366 3.3379 3.3379 3.3423 3.3423 3.5390 3.5390 3.5455 3.5455 9.4281 9.4281 9.4569 9.4569 9.9100 9.9100 10.0208 10.0208 10.6058 10.6058 10.7030 10.7030 11.1793 11.1793 11.1928 11.1928 k = 0.5000 0.1176 0.7901 ( 2290 PWs) bands (ev): -4.5558 -4.5558 -4.5553 -4.5553 -3.7515 -3.7515 -3.7509 -3.7509 3.3253 3.3253 3.3297 3.3297 3.5260 3.5260 3.5324 3.5324 9.4379 9.4379 9.4643 9.4643 9.9693 9.9693 10.0753 10.0753 10.7012 10.7012 10.7991 10.7991 11.2874 11.2874 11.3039 11.3039 k = 0.5000 0.0940 0.7901 ( 2292 PWs) bands (ev): -4.5672 -4.5672 -4.5667 -4.5667 -3.7632 -3.7632 -3.7626 -3.7626 3.3149 3.3149 3.3193 3.3193 3.5153 3.5153 3.5216 3.5216 9.4433 9.4433 9.4678 9.4678 10.0121 10.0121 10.1116 10.1116 10.7954 10.7954 10.8910 10.8910 11.3832 11.3832 11.4021 11.4021 k = 0.5000 0.0705 0.7901 ( 2294 PWs) bands (ev): -4.5760 -4.5760 -4.5756 -4.5756 -3.7723 -3.7723 -3.7718 -3.7718 3.3069 3.3069 3.3111 3.3111 3.5070 3.5070 3.5131 3.5131 9.4462 9.4462 9.4693 9.4693 10.0414 10.0414 10.1348 10.1348 10.8797 10.8797 10.9724 10.9724 11.4619 11.4619 11.4826 11.4826 k = 0.5000 0.0470 0.7901 ( 2294 PWs) bands (ev): -4.5824 -4.5824 -4.5819 -4.5819 -3.7788 -3.7788 -3.7783 -3.7783 3.3011 3.3011 3.3053 3.3053 3.5011 3.5011 3.5071 3.5071 9.4477 9.4477 9.4698 9.4698 10.0601 10.0601 10.1488 10.1488 10.9461 10.9461 11.0366 11.0366 11.5200 11.5200 11.5422 11.5422 k = 0.5000 0.0235 0.7901 ( 2292 PWs) bands (ev): -4.5862 -4.5862 -4.5857 -4.5857 -3.7828 -3.7828 -3.7822 -3.7822 3.2977 3.2977 3.3018 3.3018 3.4975 3.4975 3.5035 3.5035 9.4484 9.4484 9.4699 9.4699 10.0704 10.0704 10.1562 10.1562 10.9885 10.9885 11.0777 11.0777 11.5555 11.5555 11.5787 11.5787 k = 0.5000-0.0000 0.7901 ( 2292 PWs) bands (ev): -4.5874 -4.5874 -4.5870 -4.5870 -3.7841 -3.7841 -3.7835 -3.7835 3.2965 3.2965 3.3007 3.3007 3.4963 3.4963 3.5023 3.5023 9.4486 9.4486 9.4699 9.4699 10.0737 10.0737 10.1586 10.1586 11.0031 11.0031 11.0919 11.0919 11.5674 11.5674 11.5910 11.5910 k = 0.5000-0.0000 0.7901 ( 2292 PWs) bands (ev): -4.5874 -4.5874 -4.5870 -4.5870 -3.7841 -3.7841 -3.7835 -3.7835 3.2965 3.2965 3.3007 3.3007 3.4963 3.4963 3.5023 3.5023 9.4486 9.4486 9.4699 9.4699 10.0737 10.0737 10.1586 10.1586 11.0031 11.0031 11.0919 11.0919 11.5674 11.5674 11.5910 11.5910 k = 0.5000-0.0000 0.7668 ( 2296 PWs) bands (ev): -4.5934 -4.5934 -4.5929 -4.5929 -3.7769 -3.7769 -3.7764 -3.7764 3.2693 3.2693 3.2723 3.2723 3.5283 3.5283 3.5331 3.5331 9.4141 9.4141 9.4317 9.4317 10.1008 10.1008 10.1814 10.1814 11.0028 11.0028 11.0895 11.0895 11.5745 11.5745 11.5966 11.5966 k = 0.5000-0.0000 0.7436 ( 2298 PWs) bands (ev): -4.6105 -4.6105 -4.6101 -4.6101 -3.7561 -3.7561 -3.7556 -3.7556 3.2122 3.2122 3.2139 3.2139 3.5976 3.5976 3.6011 3.6011 9.3227 9.3227 9.3333 9.3333 10.1653 10.1653 10.2375 10.2375 11.0025 11.0025 11.0835 11.0835 11.5949 11.5949 11.6128 11.6128 k = 0.5000-0.0000 0.7204 ( 2300 PWs) bands (ev): -4.6372 -4.6372 -4.6369 -4.6369 -3.7233 -3.7233 -3.7228 -3.7228 3.1478 3.1478 3.1488 3.1488 3.6808 3.6808 3.6836 3.6836 9.1951 9.1951 9.2001 9.2001 10.2411 10.2411 10.3047 10.3047 11.0046 11.0046 11.0766 11.0766 11.6261 11.6261 11.6388 11.6388 k = 0.5000-0.0000 0.6971 ( 2302 PWs) bands (ev): -4.6714 -4.6714 -4.6711 -4.6711 -3.6806 -3.6806 -3.6801 -3.6801 3.0834 3.0834 3.0840 3.0840 3.7711 3.7711 3.7735 3.7735 9.0455 9.0455 9.0475 9.0475 10.3118 10.3118 10.3666 10.3666 11.0118 11.0118 11.0722 11.0722 11.6642 11.6642 11.6742 11.6742 k = 0.5000-0.0000 0.6739 ( 2300 PWs) bands (ev): -4.7111 -4.7111 -4.7108 -4.7108 -3.6301 -3.6301 -3.6297 -3.6297 3.0211 3.0211 3.0216 3.0216 3.8664 3.8664 3.8684 3.8684 8.8815 8.8815 8.8837 8.8837 10.3688 10.3688 10.4139 10.4139 11.0263 11.0263 11.0733 11.0733 11.7056 11.7056 11.7185 11.7185 k = 0.5000-0.0000 0.6506 ( 2304 PWs) bands (ev): -4.7545 -4.7545 -4.7543 -4.7543 -3.5737 -3.5737 -3.5733 -3.5733 2.9620 2.9620 2.9625 2.9625 3.9656 3.9656 3.9675 3.9675 8.7086 8.7086 8.7119 8.7119 10.4082 10.4082 10.4429 10.4429 11.0477 11.0477 11.0814 11.0814 11.7496 11.7496 11.7682 11.7682 k = 0.5000-0.0000 0.6274 ( 2302 PWs) bands (ev): -4.8003 -4.8003 -4.8001 -4.8001 -3.5127 -3.5127 -3.5123 -3.5123 2.9065 2.9065 2.9071 2.9071 4.0685 4.0685 4.0702 4.0702 8.5301 8.5301 8.5342 8.5342 10.4293 10.4293 10.4542 10.4542 11.0726 11.0726 11.0964 11.0964 11.7959 11.7959 11.8204 11.8204 k = 0.5000-0.0000 0.6042 ( 2294 PWs) bands (ev): -4.8474 -4.8474 -4.8472 -4.8472 -3.4484 -3.4484 -3.4481 -3.4481 2.8551 2.8551 2.8558 2.8558 4.1746 4.1746 4.1762 4.1762 8.3477 8.3477 8.3522 8.3522 10.4342 10.4342 10.4512 10.4512 11.0954 11.0954 11.1163 11.1163 11.8434 11.8434 11.8731 11.8731 k = 0.5000-0.0000 0.5809 ( 2292 PWs) bands (ev): -4.8951 -4.8951 -4.8949 -4.8949 -3.3817 -3.3817 -3.3813 -3.3813 2.8080 2.8080 2.8087 2.8087 4.2838 4.2838 4.2853 4.2853 8.1628 8.1628 8.1675 8.1675 10.4258 10.4258 10.4378 10.4378 11.1124 11.1124 11.1358 11.1358 11.8913 11.8913 11.9250 11.9250 k = 0.5000-0.0000 0.5577 ( 2286 PWs) bands (ev): -4.9427 -4.9427 -4.9426 -4.9426 -3.3132 -3.3132 -3.3129 -3.3129 2.7654 2.7654 2.7662 2.7662 4.3958 4.3958 4.3972 4.3972 7.9763 7.9763 7.9811 7.9811 10.4072 10.4072 10.4176 10.4176 11.1218 11.1218 11.1488 11.1488 11.9387 11.9387 11.9752 11.9752 k = 0.5000-0.0000 0.5345 ( 2290 PWs) bands (ev): -4.9899 -4.9899 -4.9897 -4.9897 -3.2436 -3.2436 -3.2433 -3.2433 2.7274 2.7274 2.7282 2.7282 4.5105 4.5105 4.5119 4.5119 7.7890 7.7890 7.7939 7.7939 10.3816 10.3816 10.3925 10.3925 11.1216 11.1216 11.1511 11.1511 11.9854 11.9854 12.0232 12.0232 k = 0.5000-0.0000 0.5112 ( 2294 PWs) bands (ev): -5.0362 -5.0362 -5.0360 -5.0360 -3.1735 -3.1735 -3.1732 -3.1732 2.6942 2.6942 2.6951 2.6951 4.6276 4.6276 4.6289 4.6289 7.6019 7.6019 7.6067 7.6067 10.3513 10.3513 10.3638 10.3638 11.1098 11.1098 11.1402 11.1402 12.0313 12.0313 12.0691 12.0691 k = 0.5000-0.0000 0.4880 ( 2290 PWs) bands (ev): -5.0813 -5.0813 -5.0812 -5.0812 -3.1033 -3.1033 -3.1030 -3.1030 2.6659 2.6659 2.6669 2.6669 4.7469 4.7469 4.7482 4.7482 7.4155 7.4155 7.4202 7.4202 10.3180 10.3180 10.3322 10.3322 11.0849 11.0849 11.1150 11.1150 12.0762 12.0762 12.1131 12.1131 k = 0.5000-0.0000 0.4647 ( 2292 PWs) bands (ev): -5.1252 -5.1252 -5.1250 -5.1250 -3.0334 -3.0334 -3.0331 -3.0331 2.6428 2.6428 2.6438 2.6438 4.8680 4.8680 4.8694 4.8694 7.2306 7.2306 7.2353 7.2353 10.2825 10.2825 10.2985 10.2985 11.0464 11.0464 11.0754 11.0754 12.1204 12.1204 12.1554 12.1554 k = 0.5000-0.0000 0.4415 ( 2292 PWs) bands (ev): -5.1675 -5.1675 -5.1674 -5.1674 -2.9642 -2.9642 -2.9639 -2.9639 2.6248 2.6248 2.6259 2.6259 4.9905 4.9905 4.9920 4.9920 7.0481 7.0481 7.0527 7.0527 10.2452 10.2452 10.2629 10.2629 10.9945 10.9945 11.0218 11.0218 12.1638 12.1638 12.1965 12.1965 k = 0.5000-0.0000 0.4183 ( 2290 PWs) bands (ev): -5.2081 -5.2081 -5.2080 -5.2080 -2.8961 -2.8961 -2.8958 -2.8958 2.6122 2.6122 2.6134 2.6134 5.1138 5.1138 5.1152 5.1152 6.8691 6.8691 6.8735 6.8735 10.2060 10.2060 10.2255 10.2255 10.9299 10.9299 10.9556 10.9556 12.2065 12.2065 12.2365 12.2365 k = 0.5000-0.0000 0.3950 ( 2292 PWs) bands (ev): -5.2470 -5.2470 -5.2469 -5.2469 -2.8294 -2.8294 -2.8292 -2.8292 2.6051 2.6051 2.6063 2.6063 5.2364 5.2364 5.2380 5.2380 6.6949 6.6949 6.6993 6.6993 10.1646 10.1646 10.1861 10.1861 10.8542 10.8542 10.8787 10.8787 12.2484 12.2484 12.2756 12.2756 k = 0.5000-0.0000 0.3718 ( 2294 PWs) bands (ev): -5.2841 -5.2841 -5.2840 -5.2840 -2.7645 -2.7645 -2.7643 -2.7643 2.6034 2.6034 2.6046 2.6046 5.3564 5.3564 5.3579 5.3579 6.5283 6.5283 6.5325 6.5325 10.1202 10.1202 10.1440 10.1440 10.7698 10.7698 10.7936 10.7936 12.2893 12.2893 12.3138 12.3138 k = 0.5000-0.0000 0.3486 ( 2292 PWs) bands (ev): -5.3191 -5.3191 -5.3191 -5.3191 -2.7018 -2.7018 -2.7016 -2.7016 2.6072 2.6072 2.6085 2.6085 5.4688 5.4688 5.4704 5.4704 6.3741 6.3741 6.3782 6.3782 10.0716 10.0716 10.0977 10.0977 10.6794 10.6794 10.7034 10.7034 12.3290 12.3290 12.3509 12.3509 k = 0.5000-0.0000 0.3253 ( 2288 PWs) bands (ev): -5.3522 -5.3522 -5.3521 -5.3521 -2.6415 -2.6415 -2.6413 -2.6413 2.6166 2.6166 2.6180 2.6180 5.5626 5.5626 5.5642 5.5642 6.2439 6.2439 6.2479 6.2479 10.0169 10.0169 10.0452 10.0452 10.5869 10.5869 10.6116 10.6116 12.3673 12.3673 12.3868 12.3868 k = 0.5000-0.0000 0.3021 ( 2284 PWs) bands (ev): -5.3832 -5.3832 -5.3831 -5.3831 -2.5839 -2.5839 -2.5837 -2.5837 2.6315 2.6315 2.6328 2.6328 5.6122 5.6122 5.6135 5.6135 6.1636 6.1636 6.1672 6.1672 9.9536 9.9536 9.9837 9.9837 10.4967 10.4967 10.5222 10.5222 12.4040 12.4040 12.4213 12.4213 k = 0.5000-0.0000 0.2788 ( 2284 PWs) bands (ev): -5.4120 -5.4120 -5.4119 -5.4119 -2.5294 -2.5294 -2.5292 -2.5292 2.6517 2.6517 2.6531 2.6531 5.5861 5.5861 5.5876 5.5876 6.1645 6.1645 6.1677 6.1677 9.8791 9.8791 9.9100 9.9100 10.4138 10.4138 10.4395 10.4395 12.4388 12.4388 12.4541 12.4541 k = 0.5000-0.0000 0.2556 ( 2286 PWs) bands (ev): -5.4387 -5.4387 -5.4386 -5.4386 -2.4782 -2.4782 -2.4780 -2.4780 2.6770 2.6770 2.6784 2.6784 5.4953 5.4953 5.4972 5.4972 6.2359 6.2359 6.2389 6.2389 9.7916 9.7916 9.8219 9.8219 10.3419 10.3419 10.3667 10.3667 12.4717 12.4717 12.4852 12.4852 k = 0.5000-0.0000 0.2324 ( 2288 PWs) bands (ev): -5.4631 -5.4631 -5.4631 -5.4631 -2.4306 -2.4306 -2.4304 -2.4304 2.7072 2.7072 2.7086 2.7086 5.3752 5.3752 5.3773 5.3773 6.3429 6.3429 6.3458 6.3458 9.6911 9.6911 9.7194 9.7194 10.2826 10.2826 10.3053 10.3053 12.5023 12.5023 12.5141 12.5141 k = 0.5000-0.0000 0.2091 ( 2282 PWs) bands (ev): -5.4854 -5.4854 -5.4853 -5.4853 -2.3868 -2.3868 -2.3866 -2.3866 2.7416 2.7416 2.7430 2.7430 5.2462 5.2462 5.2484 5.2484 6.4650 6.4650 6.4681 6.4681 9.5793 9.5793 9.6048 9.6048 10.2351 10.2351 10.2550 10.2550 12.5305 12.5305 12.5408 12.5408 k = 0.5000-0.0000 0.1859 ( 2284 PWs) bands (ev): -5.5053 -5.5053 -5.5053 -5.5053 -2.3470 -2.3470 -2.3469 -2.3469 2.7797 2.7797 2.7811 2.7811 5.1175 5.1175 5.1196 5.1196 6.5936 6.5936 6.5969 6.5969 9.4592 9.4592 9.4818 9.4818 10.1973 10.1973 10.2143 10.2143 12.5562 12.5562 12.5651 12.5651 k = 0.5000-0.0000 0.1627 ( 2284 PWs) bands (ev): -5.5230 -5.5230 -5.5229 -5.5229 -2.3115 -2.3115 -2.3113 -2.3113 2.8205 2.8205 2.8219 2.8219 4.9934 4.9934 4.9955 4.9955 6.7242 6.7242 6.7277 6.7277 9.3342 9.3342 9.3541 9.3541 10.1672 10.1672 10.1816 10.1816 12.5792 12.5792 12.5869 12.5869 k = 0.5000-0.0000 0.1394 ( 2280 PWs) bands (ev): -5.5383 -5.5383 -5.5382 -5.5382 -2.2803 -2.2803 -2.2802 -2.2802 2.8628 2.8628 2.8642 2.8642 4.8772 4.8772 4.8791 4.8791 6.8535 6.8535 6.8572 6.8572 9.2081 9.2081 9.2254 9.2254 10.1433 10.1433 10.1553 10.1553 12.5994 12.5994 12.6059 12.6059 k = 0.5000-0.0000 0.1162 ( 2284 PWs) bands (ev): -5.5513 -5.5513 -5.5512 -5.5512 -2.2537 -2.2537 -2.2536 -2.2536 2.9051 2.9051 2.9064 2.9064 4.7714 4.7714 4.7731 4.7731 6.9786 6.9786 6.9825 6.9825 9.0844 9.0844 9.0995 9.0995 10.1244 10.1244 10.1343 10.1343 12.6168 12.6168 12.6221 12.6221 k = 0.5000-0.0000 0.0929 ( 2290 PWs) bands (ev): -5.5620 -5.5620 -5.5619 -5.5619 -2.2318 -2.2318 -2.2317 -2.2317 2.9452 2.9452 2.9464 2.9464 4.6787 4.6787 4.6803 4.6803 7.0956 7.0956 7.0996 7.0996 8.9677 8.9677 8.9808 8.9808 10.1097 10.1097 10.1179 10.1179 12.6311 12.6311 12.6354 12.6354 k = 0.5000-0.0000 0.0697 ( 2288 PWs) bands (ev): -5.5703 -5.5703 -5.5702 -5.5702 -2.2147 -2.2147 -2.2146 -2.2146 2.9808 2.9808 2.9818 2.9818 4.6020 4.6020 4.6033 4.6033 7.1996 7.1996 7.2037 7.2037 8.8635 8.8635 8.8750 8.8750 10.0988 10.0988 10.1056 10.1056 12.6425 12.6425 12.6458 12.6458 k = 0.5000-0.0000 0.0465 ( 2288 PWs) bands (ev): -5.5762 -5.5762 -5.5761 -5.5761 -2.2024 -2.2024 -2.2023 -2.2023 3.0091 3.0091 3.0100 3.0100 4.5443 4.5443 4.5453 4.5453 7.2837 7.2837 7.2878 7.2878 8.7792 8.7792 8.7893 8.7893 10.0912 10.0912 10.0969 10.0969 12.6507 12.6507 12.6531 12.6531 k = 0.5000-0.0000 0.0232 ( 2292 PWs) bands (ev): -5.5798 -5.5798 -5.5797 -5.5797 -2.1950 -2.1950 -2.1949 -2.1949 3.0274 3.0274 3.0282 3.0282 4.5083 4.5083 4.5090 4.5090 7.3395 7.3395 7.3435 7.3435 8.7233 8.7233 8.7323 8.7323 10.0868 10.0868 10.0918 10.0918 12.6557 12.6557 12.6575 12.6575 k = 0.5000-0.0000-0.0000 ( 2298 PWs) bands (ev): -5.5809 -5.5809 -5.5809 -5.5809 -2.1925 -2.1925 -2.1925 -2.1925 3.0338 3.0338 3.0345 3.0345 4.4960 4.4960 4.4966 4.4966 7.3592 7.3592 7.3632 7.3632 8.7036 8.7036 8.7122 8.7122 10.0853 10.0853 10.0901 10.0901 12.6574 12.6574 12.6589 12.6589 k = 0.0000 0.0000 0.7901 ( 2304 PWs) bands (ev): -4.7271 -4.7271 -4.7251 -4.7251 -3.5298 -3.5298 -3.5279 -3.5279 1.7607 1.7607 1.7608 1.7608 6.2449 6.2449 6.2464 6.2464 7.5979 7.5979 7.6002 7.6002 10.4573 10.4573 10.4839 10.4839 11.1924 11.1924 11.2312 11.2312 11.7010 11.7010 11.7408 11.7408 k = 0.0238-0.0000 0.7901 ( 2304 PWs) bands (ev): -4.7264 -4.7264 -4.7245 -4.7245 -3.5311 -3.5310 -3.5292 -3.5292 1.7649 1.7649 1.7652 1.7652 6.2218 6.2233 6.2248 6.2263 7.6154 7.6177 7.6200 7.6223 10.4545 10.4591 10.4802 10.4864 11.1882 11.1945 11.2261 11.2341 11.7002 11.7003 11.7387 11.7411 k = 0.0476-0.0000 0.7901 ( 2302 PWs) bands (ev): -4.7246 -4.7245 -4.7226 -4.7226 -3.5351 -3.5349 -3.5332 -3.5331 1.7776 1.7777 1.7781 1.7781 6.1593 6.1608 6.1648 6.1663 7.6692 7.6717 7.6778 7.6802 10.4507 10.4600 10.4753 10.4879 11.1818 11.1943 11.2188 11.2347 11.6981 11.6981 11.7350 11.7399 k = 0.0714-0.0000 0.7901 ( 2300 PWs) bands (ev): -4.7215 -4.7214 -4.7195 -4.7195 -3.5415 -3.5414 -3.5397 -3.5395 1.7988 1.7988 1.7996 1.7996 6.0658 6.0674 6.0730 6.0745 7.7512 7.7538 7.7630 7.7655 10.4458 10.4598 10.4693 10.4881 11.1733 11.1920 11.2094 11.2330 11.6946 11.6947 11.7298 11.7370 k = 0.0952-0.0000 0.7901 ( 2298 PWs) bands (ev): -4.7171 -4.7170 -4.7152 -4.7151 -3.5504 -3.5502 -3.5486 -3.5484 1.8284 1.8284 1.8294 1.8294 5.9502 5.9516 5.9584 5.9597 7.8524 7.8551 7.8668 7.8693 10.4396 10.4585 10.4619 10.4870 11.1628 11.1878 11.1981 11.2294 11.6898 11.6901 11.7231 11.7326 k = 0.1190-0.0000 0.7901 ( 2300 PWs) bands (ev): -4.7117 -4.7115 -4.7098 -4.7097 -3.5616 -3.5613 -3.5597 -3.5595 1.8662 1.8662 1.8674 1.8674 5.8192 5.8207 5.8279 5.8293 7.9656 7.9685 7.9821 7.9847 10.4320 10.4530 10.4558 10.4844 11.1506 11.1819 11.1850 11.2237 11.6836 11.6844 11.7150 11.7267 k = 0.1429-0.0000 0.7901 ( 2302 PWs) bands (ev): -4.7051 -4.7050 -4.7033 -4.7031 -3.5747 -3.5744 -3.5729 -3.5726 1.9120 1.9120 1.9135 1.9135 5.6780 5.6794 5.6869 5.6882 8.0858 8.0888 8.1040 8.1067 10.4228 10.4424 10.4515 10.4800 11.1370 11.1705 11.1744 11.2164 11.6764 11.6778 11.7057 11.7196 k = 0.1667-0.0000 0.7901 ( 2296 PWs) bands (ev): -4.6976 -4.6974 -4.6958 -4.6956 -3.5897 -3.5893 -3.5879 -3.5876 1.9657 1.9657 1.9674 1.9674 5.5299 5.5312 5.5388 5.5400 8.2092 8.2124 8.2289 8.2317 10.4115 10.4299 10.4454 10.4735 11.1222 11.1548 11.1658 11.2077 11.6681 11.6703 11.6954 11.7114 k = 0.1905-0.0000 0.7901 ( 2300 PWs) bands (ev): -4.6892 -4.6890 -4.6874 -4.6872 -3.6061 -3.6057 -3.6043 -3.6040 2.0270 2.0270 2.0289 2.0289 5.3772 5.3784 5.3860 5.3871 8.3334 8.3368 8.3545 8.3573 10.3981 10.4152 10.4371 10.4645 11.1068 11.1384 11.1564 11.1979 11.6591 11.6623 11.6843 11.7022 k = 0.2143-0.0000 0.7901 ( 2302 PWs) bands (ev): -4.6800 -4.6798 -4.6783 -4.6781 -3.6236 -3.6232 -3.6220 -3.6216 2.0955 2.0956 2.0977 2.0978 5.2217 5.2228 5.2302 5.2313 8.4566 8.4602 8.4789 8.4818 10.3822 10.3980 10.4264 10.4528 11.0912 11.1216 11.1465 11.1873 11.6494 11.6538 11.6726 11.6922 k = 0.2381-0.0000 0.7901 ( 2302 PWs) bands (ev): -4.6703 -4.6700 -4.6686 -4.6684 -3.6420 -3.6415 -3.6404 -3.6400 2.1712 2.1712 2.1735 2.1736 5.0645 5.0655 5.0727 5.0738 8.5776 8.5813 8.6009 8.6039 10.3635 10.3781 10.4127 10.4380 11.0759 11.1050 11.1366 11.1762 11.6393 11.6451 11.6606 11.6818 k = 0.2619-0.0000 0.7901 ( 2300 PWs) bands (ev): -4.6601 -4.6598 -4.6585 -4.6582 -3.6608 -3.6603 -3.6593 -3.6588 2.2536 2.2536 2.2562 2.2563 4.9066 4.9076 4.9146 4.9156 8.6951 8.6990 8.7195 8.7225 10.3418 10.3553 10.3959 10.4197 11.0614 11.0888 11.1269 11.1651 11.6291 11.6364 11.6484 11.6709 k = 0.2857-0.0000 0.7901 ( 2296 PWs) bands (ev): -4.6496 -4.6493 -4.6482 -4.6479 -3.6797 -3.6792 -3.6782 -3.6777 2.3424 2.3425 2.3452 2.3454 4.7487 4.7497 4.7564 4.7574 8.8085 8.8125 8.8337 8.8367 10.3171 10.3296 10.3758 10.3978 11.0481 11.0736 11.1180 11.1542 11.6189 11.6278 11.6362 11.6600 k = 0.3095-0.0000 0.7901 ( 2296 PWs) bands (ev): -4.6392 -4.6389 -4.6379 -4.6375 -3.6981 -3.6976 -3.6968 -3.6963 2.4374 2.4375 2.4405 2.4406 4.5916 4.5924 4.5990 4.5999 8.9168 8.9209 8.9426 8.9457 10.2893 10.3008 10.3523 10.3724 11.0362 11.0597 11.1100 11.1438 11.6090 11.6196 11.6244 11.6492 k = 0.3333-0.0000 0.7901 ( 2292 PWs) bands (ev): -4.6290 -4.6287 -4.6278 -4.6274 -3.7158 -3.7153 -3.7146 -3.7141 2.5382 2.5384 2.5415 2.5417 4.4356 4.4364 4.4427 4.4436 9.0193 9.0235 9.0456 9.0486 10.2588 10.2693 10.3256 10.3436 11.0261 11.0472 11.1031 11.1340 11.5996 11.6121 11.6132 11.6386 k = 0.3571-0.0000 0.7901 ( 2284 PWs) bands (ev): -4.6194 -4.6190 -4.6183 -4.6179 -3.7323 -3.7318 -3.7312 -3.7307 2.6445 2.6446 2.6479 2.6482 4.2814 4.2821 4.2882 4.2890 9.1151 9.1194 9.1416 9.1446 10.2258 10.2355 10.2963 10.3120 11.0179 11.0364 11.0976 11.1251 11.5910 11.6028 11.6053 11.6287 k = 0.3810-0.0000 0.7901 ( 2286 PWs) bands (ev): -4.6105 -4.6101 -4.6096 -4.6092 -3.7471 -3.7466 -3.7462 -3.7457 2.7558 2.7560 2.7594 2.7597 4.1294 4.1301 4.1360 4.1367 9.2032 9.2073 9.2294 9.2323 10.1915 10.2001 10.2651 10.2786 11.0115 11.0272 11.0934 11.1171 11.5835 11.5933 11.5996 11.6195 k = 0.4048-0.0000 0.7901 ( 2286 PWs) bands (ev): -4.6027 -4.6023 -4.6020 -4.6016 -3.7599 -3.7594 -3.7592 -3.7586 2.8715 2.8718 2.8754 2.8758 3.9803 3.9809 3.9866 3.9873 9.2819 9.2858 9.3075 9.3102 10.1571 10.1645 10.2337 10.2448 11.0069 11.0196 11.0906 11.1101 11.5772 11.5851 11.5950 11.6112 k = 0.4286-0.0000 0.7901 ( 2286 PWs) bands (ev): -4.5963 -4.5959 -4.5957 -4.5953 -3.7703 -3.7697 -3.7697 -3.7692 2.9910 2.9912 2.9951 2.9954 3.8349 3.8354 3.8409 3.8415 9.3491 9.3525 9.3737 9.3760 10.1248 10.1309 10.2042 10.2128 11.0039 11.0135 11.0891 11.1041 11.5723 11.5782 11.5917 11.6041 k = 0.4524-0.0000 0.7901 ( 2284 PWs) bands (ev): -4.5915 -4.5911 -4.5911 -4.5907 -3.7779 -3.7775 -3.7774 -3.7770 3.1122 3.1125 3.1165 3.1169 3.6950 3.6955 3.7009 3.7015 9.4017 9.4044 9.4250 9.4268 10.0976 10.1020 10.1796 10.1855 11.0023 11.0088 11.0889 11.0990 11.5690 11.5730 11.5900 11.5983 k = 0.4762-0.0000 0.7901 ( 2288 PWs) bands (ev): -4.5885 -4.5883 -4.5881 -4.5879 -3.7826 -3.7824 -3.7820 -3.7818 3.2285 3.2288 3.2328 3.2332 3.5676 3.5680 3.5735 3.5739 9.4361 9.4375 9.4581 9.4591 10.0794 10.0818 10.1634 10.1664 11.0021 11.0054 11.0899 11.0950 11.5673 11.5693 11.5897 11.5939 k = 0.5000-0.0000 0.7901 ( 2292 PWs) bands (ev): -4.5874 -4.5874 -4.5870 -4.5870 -3.7841 -3.7841 -3.7835 -3.7835 3.2965 3.2965 3.3007 3.3007 3.4963 3.4963 3.5023 3.5023 9.4486 9.4486 9.4699 9.4699 10.0737 10.0737 10.1586 10.1586 11.0031 11.0031 11.0919 11.0919 11.5674 11.5674 11.5910 11.5910 Writing output data file Te.save init_run : 0.63s CPU 0.36s WALL ( 1 calls) electrons : 138.27s CPU 76.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 138.26s CPU 76.97s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.20s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.13s WALL ( 310 calls) cegterg : 125.90s CPU 69.42s WALL ( 313 calls) Called by sum_band: Called by *egterg: h_psi : 68.72s CPU 40.31s WALL ( 4562 calls) s_psi : 6.29s CPU 3.23s WALL ( 4562 calls) g_psi : 0.12s CPU 0.07s WALL ( 3939 calls) cdiaghg : 48.60s CPU 25.21s WALL ( 4249 calls) cegterg:over : 4.38s CPU 2.20s WALL ( 3939 calls) cegterg:upda : 2.65s CPU 1.42s WALL ( 3939 calls) cegterg:last : 1.87s CPU 0.98s WALL ( 944 calls) cdiaghg:chol : 2.46s CPU 1.31s WALL ( 4249 calls) cdiaghg:inve : 1.04s CPU 0.57s WALL ( 4249 calls) cdiaghg:para : 2.57s CPU 1.34s WALL ( 8498 calls) Called by h_psi: h_psi:vloc : 55.78s CPU 33.11s WALL ( 4562 calls) h_psi:vnl : 12.83s CPU 7.13s WALL ( 4562 calls) add_vuspsi : 8.37s CPU 4.53s WALL ( 4562 calls) General routines calbec : 4.42s CPU 2.58s WALL ( 4562 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 53.23s CPU 31.70s WALL ( 393588 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.40s CPU 0.34s WALL ( 620 calls) Parallel routines fft_scatter : 26.70s CPU 15.74s WALL ( 393611 calls) PWSCF : 2m26.52s CPU 1m32.91s WALL This run was terminated on: 11:11:38 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=